USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=21 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+ -176:sc= -0.649 (180deg=-0.0103) USER MOD Set 1.2: A 51 HIS : no HE2:sc= -8.29! C(o=-8.9!,f=-12!) USER MOD Set 2.1: A 28 ASN : amide:sc= -19.2! C(o=-49!,f=-50!) USER MOD Set 2.2: A 30 GLN : amide:sc= -18.8! C(o=-49!,f=-58!) USER MOD Set 2.3: A 75 ASN : amide:sc= -10.8! C(o=-49!,f=-58!) USER MOD Single : A 1 GLY N :NH3+ -128:sc= -1.52 (180deg=-5.69!) USER MOD Single : A 5 SER OG : rot 102:sc= -0.378! USER MOD Single : A 6 MET CE :methyl -137:sc= -0.305 (180deg=-1.35) USER MOD Single : A 7 ASN : amide:sc= -1.73! C(o=-1.7!,f=-6.2!) USER MOD Single : A 8 LYS NZ :NH3+ 177:sc= -1.12 (180deg=-1.22) USER MOD Single : A 10 THR OG1 : rot 151:sc= -1.65 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.134 F(o=-2!,f=-0.13) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.689 F(o=-2.8!,f=-0.69) USER MOD Single : A 19 GLN :FLIP amide:sc= -6.6! C(o=-8.7!,f=-6.6!) USER MOD Single : A 23 SER OG : rot 72:sc= 1.21 USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= -3.09! (180deg=-3.12!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 150:sc= -3.63! USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 171:sc= -3.14 (180deg=-3.5) USER MOD Single : A 45 ASN : amide:sc= -8.89! C(o=-8.9!,f=-9.4!) USER MOD Single : A 46 GLN : amide:sc= -16.2! C(o=-16!,f=-20!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.402 X(o=-0.4,f=0.048) USER MOD Single : A 60 MET CE :methyl 173:sc= -0.612 (180deg=-0.84) USER MOD Single : A 61 CYS SG : rot -71:sc= -0.935! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -140:sc= -2.09! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -136:sc= -2.78! (180deg=-5.1!) USER MOD Single : A 77 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.32) USER MOD Single : A 79 ASN :FLIP amide:sc= -2.75 F(o=-7.5!,f=-2.7) USER MOD Single : A 80 LYS NZ :NH3+ 146:sc= -4.2! (180deg=-7.08!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.828 60.039 -1.653 1.00 0.00 N ATOM 2 CA GLY A 1 7.538 60.915 -0.485 1.00 0.00 C ATOM 3 C GLY A 1 7.108 60.064 0.704 1.00 0.00 C ATOM 4 O GLY A 1 7.721 60.112 1.772 1.00 0.00 O ATOM 0 H1 GLY A 1 8.771 60.264 -2.030 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.803 59.043 -1.355 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.113 60.198 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.423 61.497 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.752 61.626 -0.738 1.00 0.00 H new ATOM 10 N PRO A 2 6.064 59.300 0.539 1.00 0.00 N ATOM 11 CA PRO A 2 5.525 58.422 1.619 1.00 0.00 C ATOM 12 C PRO A 2 6.559 57.434 2.146 1.00 0.00 C ATOM 13 O PRO A 2 6.211 56.459 2.812 1.00 0.00 O ATOM 14 CB PRO A 2 4.353 57.687 0.960 1.00 0.00 C ATOM 15 CG PRO A 2 4.000 58.486 -0.250 1.00 0.00 C ATOM 16 CD PRO A 2 5.282 59.184 -0.698 1.00 0.00 C ATOM 0 HA PRO A 2 5.228 59.005 2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.633 56.669 0.688 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.505 57.613 1.641 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.612 57.843 -1.040 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.222 59.214 -0.021 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.811 58.603 -1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 2 5.075 60.161 -1.134 1.00 0.00 H new ATOM 24 N LEU A 3 7.830 57.687 1.860 1.00 0.00 N ATOM 25 CA LEU A 3 8.881 56.803 2.339 1.00 0.00 C ATOM 26 C LEU A 3 8.950 56.845 3.860 1.00 0.00 C ATOM 27 O LEU A 3 9.567 55.985 4.487 1.00 0.00 O ATOM 28 CB LEU A 3 10.232 57.192 1.744 1.00 0.00 C ATOM 29 CG LEU A 3 10.402 56.485 0.399 1.00 0.00 C ATOM 30 CD1 LEU A 3 9.360 57.008 -0.589 1.00 0.00 C ATOM 31 CD2 LEU A 3 11.805 56.752 -0.152 1.00 0.00 C ATOM 0 H LEU A 3 8.153 58.482 1.309 1.00 0.00 H new ATOM 0 HA LEU A 3 8.644 55.788 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.289 58.272 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.038 56.911 2.422 1.00 0.00 H new ATOM 0 HG LEU A 3 10.267 55.412 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.482 56.503 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.360 56.813 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.493 58.081 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.922 56.246 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.944 57.824 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.549 56.376 0.550 1.00 0.00 H new ATOM 43 N GLY A 4 8.295 57.840 4.450 1.00 0.00 N ATOM 44 CA GLY A 4 8.281 57.960 5.900 1.00 0.00 C ATOM 45 C GLY A 4 8.027 56.594 6.521 1.00 0.00 C ATOM 46 O GLY A 4 8.323 56.372 7.692 1.00 0.00 O ATOM 0 H GLY A 4 7.775 58.564 3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.232 58.360 6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.507 58.662 6.210 1.00 0.00 H new ATOM 50 N SER A 5 7.477 55.692 5.700 1.00 0.00 N ATOM 51 CA SER A 5 7.172 54.321 6.114 1.00 0.00 C ATOM 52 C SER A 5 5.664 54.093 6.169 1.00 0.00 C ATOM 53 O SER A 5 5.204 52.999 6.494 1.00 0.00 O ATOM 54 CB SER A 5 7.795 54.008 7.474 1.00 0.00 C ATOM 55 OG SER A 5 9.164 54.396 7.461 1.00 0.00 O ATOM 0 H SER A 5 7.232 55.894 4.731 1.00 0.00 H new ATOM 0 HA SER A 5 7.602 53.649 5.371 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.262 54.539 8.263 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.708 52.943 7.691 1.00 0.00 H new ATOM 0 HG SER A 5 9.267 55.248 7.934 1.00 0.00 H new ATOM 61 N MET A 6 4.903 55.134 5.851 1.00 0.00 N ATOM 62 CA MET A 6 3.445 55.042 5.866 1.00 0.00 C ATOM 63 C MET A 6 2.947 54.004 4.864 1.00 0.00 C ATOM 64 O MET A 6 1.961 53.310 5.112 1.00 0.00 O ATOM 65 CB MET A 6 2.834 56.397 5.500 1.00 0.00 C ATOM 66 CG MET A 6 3.206 57.442 6.556 1.00 0.00 C ATOM 67 SD MET A 6 2.467 59.038 6.118 1.00 0.00 S ATOM 68 CE MET A 6 3.423 59.338 4.608 1.00 0.00 C ATOM 0 H MET A 6 5.267 56.048 5.581 1.00 0.00 H new ATOM 0 HA MET A 6 3.143 54.745 6.870 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.192 56.714 4.521 1.00 0.00 H new ATOM 0 HB3 MET A 6 1.750 56.309 5.430 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.854 57.124 7.537 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.290 57.537 6.622 1.00 0.00 H new ATOM 0 HE1 MET A 6 3.744 60.379 4.581 1.00 0.00 H new ATOM 0 HE2 MET A 6 4.298 58.689 4.596 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.803 59.127 3.737 1.00 0.00 H new ATOM 78 N ASN A 7 3.619 53.922 3.720 1.00 0.00 N ATOM 79 CA ASN A 7 3.220 52.991 2.671 1.00 0.00 C ATOM 80 C ASN A 7 3.539 51.545 3.044 1.00 0.00 C ATOM 81 O ASN A 7 3.692 51.211 4.218 1.00 0.00 O ATOM 82 CB ASN A 7 3.908 53.363 1.356 1.00 0.00 C ATOM 83 CG ASN A 7 5.379 52.963 1.393 1.00 0.00 C ATOM 84 OD1 ASN A 7 5.885 52.549 2.436 1.00 0.00 O ATOM 85 ND2 ASN A 7 6.102 53.068 0.311 1.00 0.00 N ATOM 0 H ASN A 7 4.439 54.486 3.497 1.00 0.00 H new ATOM 0 HA ASN A 7 2.139 53.067 2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.410 52.865 0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.821 54.436 1.183 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.088 52.807 0.329 1.00 0.00 H new ATOM 0 HD22 ASN A 7 5.681 53.411 -0.552 1.00 0.00 H new ATOM 92 N LYS A 8 3.605 50.686 2.029 1.00 0.00 N ATOM 93 CA LYS A 8 3.871 49.267 2.248 1.00 0.00 C ATOM 94 C LYS A 8 5.341 49.005 2.555 1.00 0.00 C ATOM 95 O LYS A 8 6.185 49.896 2.461 1.00 0.00 O ATOM 96 CB LYS A 8 3.460 48.458 1.018 1.00 0.00 C ATOM 97 CG LYS A 8 1.946 48.544 0.829 1.00 0.00 C ATOM 98 CD LYS A 8 1.508 47.522 -0.221 1.00 0.00 C ATOM 99 CE LYS A 8 0.016 47.685 -0.495 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.467 48.940 0.145 1.00 0.00 N1+ ATOM 0 H LYS A 8 3.478 50.947 1.051 1.00 0.00 H new ATOM 0 HA LYS A 8 3.283 48.957 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.969 48.839 0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.763 47.418 1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.439 48.351 1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.664 49.549 0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.075 47.663 -1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.716 46.511 0.130 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.167 47.717 -1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.533 46.829 -0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.472 49.081 -0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.351 48.871 1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.085 49.746 -0.212 1.00 0.00 H new ATOM 114 N PHE A 9 5.626 47.762 2.934 1.00 0.00 N ATOM 115 CA PHE A 9 6.981 47.348 3.273 1.00 0.00 C ATOM 116 C PHE A 9 7.802 47.061 2.018 1.00 0.00 C ATOM 117 O PHE A 9 7.284 46.549 1.026 1.00 0.00 O ATOM 118 CB PHE A 9 6.919 46.095 4.149 1.00 0.00 C ATOM 119 CG PHE A 9 6.413 46.476 5.519 1.00 0.00 C ATOM 120 CD1 PHE A 9 5.037 46.473 5.781 1.00 0.00 C ATOM 121 CD2 PHE A 9 7.316 46.841 6.529 1.00 0.00 C ATOM 122 CE1 PHE A 9 4.563 46.831 7.049 1.00 0.00 C ATOM 123 CE2 PHE A 9 6.839 47.199 7.797 1.00 0.00 C ATOM 124 CZ PHE A 9 5.463 47.195 8.056 1.00 0.00 C ATOM 0 H PHE A 9 4.930 47.021 3.014 1.00 0.00 H new ATOM 0 HA PHE A 9 7.467 48.160 3.814 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.261 45.353 3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.907 45.640 4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.341 46.194 5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.377 46.846 6.329 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.502 46.826 7.250 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.534 47.478 8.575 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.097 47.473 9.033 1.00 0.00 H new ATOM 134 N THR A 10 9.090 47.396 2.073 1.00 0.00 N ATOM 135 CA THR A 10 9.980 47.173 0.937 1.00 0.00 C ATOM 136 C THR A 10 10.511 45.743 0.949 1.00 0.00 C ATOM 137 O THR A 10 10.502 45.080 1.985 1.00 0.00 O ATOM 138 CB THR A 10 11.157 48.148 0.997 1.00 0.00 C ATOM 139 OG1 THR A 10 11.876 47.940 2.206 1.00 0.00 O ATOM 140 CG2 THR A 10 10.641 49.588 0.945 1.00 0.00 C ATOM 0 H THR A 10 9.537 47.820 2.886 1.00 0.00 H new ATOM 0 HA THR A 10 9.415 47.337 0.019 1.00 0.00 H new ATOM 0 HB THR A 10 11.815 47.976 0.146 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.818 48.176 2.071 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.484 50.278 0.988 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.091 49.744 0.017 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.980 49.769 1.793 1.00 0.00 H new ATOM 148 N ASP A 11 10.956 45.261 -0.208 1.00 0.00 N ATOM 149 CA ASP A 11 11.467 43.900 -0.301 1.00 0.00 C ATOM 150 C ASP A 11 12.570 43.658 0.723 1.00 0.00 C ATOM 151 O ASP A 11 12.603 42.606 1.362 1.00 0.00 O ATOM 152 CB ASP A 11 12.008 43.637 -1.709 1.00 0.00 C ATOM 153 CG ASP A 11 10.865 43.667 -2.718 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.726 43.543 -2.296 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 11.144 43.812 -3.896 1.00 0.00 O ATOM 0 H ASP A 11 10.973 45.786 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 11 10.644 43.216 -0.093 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.753 44.389 -1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.508 42.669 -1.741 1.00 0.00 H new ATOM 160 N ASP A 12 13.469 44.627 0.890 1.00 0.00 N ATOM 161 CA ASP A 12 14.546 44.461 1.857 1.00 0.00 C ATOM 162 C ASP A 12 13.974 44.404 3.267 1.00 0.00 C ATOM 163 O ASP A 12 14.375 43.570 4.074 1.00 0.00 O ATOM 164 CB ASP A 12 15.564 45.602 1.747 1.00 0.00 C ATOM 165 CG ASP A 12 16.296 45.527 0.410 1.00 0.00 C ATOM 166 OD1 ASP A 12 15.898 44.724 -0.418 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 17.239 46.280 0.231 1.00 0.00 O ATOM 0 H ASP A 12 13.473 45.512 0.382 1.00 0.00 H new ATOM 0 HA ASP A 12 15.060 43.525 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.056 46.562 1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.280 45.540 2.566 1.00 0.00 H new ATOM 172 N GLU A 13 13.012 45.277 3.547 1.00 0.00 N ATOM 173 CA GLU A 13 12.372 45.295 4.855 1.00 0.00 C ATOM 174 C GLU A 13 11.577 44.020 5.046 1.00 0.00 C ATOM 175 O GLU A 13 11.527 43.454 6.137 1.00 0.00 O ATOM 176 CB GLU A 13 11.418 46.482 4.948 1.00 0.00 C ATOM 177 CG GLU A 13 12.216 47.784 4.992 1.00 0.00 C ATOM 178 CD GLU A 13 13.012 47.866 6.290 1.00 0.00 C ATOM 179 OE1 GLU A 13 12.794 47.030 7.152 1.00 0.00 O ATOM 180 OE2 GLU A 13 13.820 48.772 6.409 1.00 0.00 O1- ATOM 0 H GLU A 13 12.661 45.975 2.891 1.00 0.00 H new ATOM 0 HA GLU A 13 13.140 45.377 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.744 46.487 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.799 46.394 5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.891 47.835 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.541 48.636 4.916 1.00 0.00 H new ATOM 187 N TRP A 14 10.951 43.577 3.965 1.00 0.00 N ATOM 188 CA TRP A 14 10.151 42.377 3.998 1.00 0.00 C ATOM 189 C TRP A 14 11.022 41.179 4.335 1.00 0.00 C ATOM 190 O TRP A 14 10.683 40.387 5.209 1.00 0.00 O ATOM 191 CB TRP A 14 9.478 42.194 2.640 1.00 0.00 C ATOM 192 CG TRP A 14 8.213 41.425 2.808 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.893 40.317 2.112 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.096 41.683 3.712 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.653 39.866 2.531 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.122 40.677 3.516 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.831 42.680 4.675 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.935 40.656 4.248 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.637 42.661 5.410 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.690 41.651 5.199 1.00 0.00 C ATOM 0 H TRP A 14 10.986 44.037 3.055 1.00 0.00 H new ATOM 0 HA TRP A 14 9.385 42.463 4.768 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.268 43.166 2.193 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.147 41.668 1.959 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.504 39.855 1.351 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.189 39.038 2.159 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.554 43.464 4.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.208 39.875 4.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.446 43.430 6.144 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.773 41.641 5.769 1.00 0.00 H new ATOM 211 N ASN A 15 12.151 41.056 3.653 1.00 0.00 N ATOM 212 CA ASN A 15 13.060 39.952 3.913 1.00 0.00 C ATOM 213 C ASN A 15 13.493 39.960 5.372 1.00 0.00 C ATOM 214 O ASN A 15 13.603 38.911 6.008 1.00 0.00 O ATOM 215 CB ASN A 15 14.279 40.076 3.009 1.00 0.00 C ATOM 216 CG ASN A 15 13.865 39.876 1.555 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.620 39.605 1.274 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 14.696 39.971 0.652 1.00 0.00 N flip ATOM 0 H ASN A 15 12.457 41.700 2.923 1.00 0.00 H new ATOM 0 HA ASN A 15 12.549 39.012 3.706 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.738 41.057 3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.028 39.335 3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.669 40.183 0.874 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.412 39.838 -0.319 1.00 0.00 H new ATOM 225 N GLN A 16 13.715 41.158 5.899 1.00 0.00 N ATOM 226 CA GLN A 16 14.111 41.299 7.291 1.00 0.00 C ATOM 227 C GLN A 16 12.981 40.773 8.170 1.00 0.00 C ATOM 228 O GLN A 16 13.207 40.040 9.135 1.00 0.00 O ATOM 229 CB GLN A 16 14.387 42.775 7.603 1.00 0.00 C ATOM 230 CG GLN A 16 15.632 43.232 6.838 1.00 0.00 C ATOM 231 CD GLN A 16 15.773 44.748 6.926 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.411 45.481 5.908 1.00 0.00 O flip ATOM 233 NE2 GLN A 16 16.221 45.275 7.944 1.00 0.00 N flip ATOM 0 H GLN A 16 13.628 42.037 5.388 1.00 0.00 H new ATOM 0 HA GLN A 16 15.021 40.731 7.485 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.529 43.385 7.320 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.535 42.910 8.674 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.519 42.752 7.251 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.560 42.925 5.794 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.502 44.697 8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.311 46.290 7.996 1.00 0.00 H new ATOM 242 N LEU A 17 11.759 41.146 7.807 1.00 0.00 N ATOM 243 CA LEU A 17 10.575 40.708 8.533 1.00 0.00 C ATOM 244 C LEU A 17 10.431 39.184 8.451 1.00 0.00 C ATOM 245 O LEU A 17 10.013 38.541 9.417 1.00 0.00 O ATOM 246 CB LEU A 17 9.339 41.394 7.944 1.00 0.00 C ATOM 247 CG LEU A 17 8.084 40.939 8.687 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.025 41.587 10.070 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.851 41.360 7.886 1.00 0.00 C ATOM 0 H LEU A 17 11.563 41.753 7.011 1.00 0.00 H new ATOM 0 HA LEU A 17 10.674 40.983 9.583 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.443 42.476 8.019 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.251 41.155 6.884 1.00 0.00 H new ATOM 0 HG LEU A 17 8.109 39.855 8.801 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.126 41.255 10.589 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.904 41.298 10.645 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.002 42.671 9.963 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.950 41.039 8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.841 42.445 7.777 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.882 40.897 6.900 1.00 0.00 H new ATOM 261 N LYS A 18 10.786 38.613 7.299 1.00 0.00 N ATOM 262 CA LYS A 18 10.701 37.163 7.114 1.00 0.00 C ATOM 263 C LYS A 18 11.560 36.443 8.146 1.00 0.00 C ATOM 264 O LYS A 18 11.137 35.453 8.744 1.00 0.00 O ATOM 265 CB LYS A 18 11.184 36.780 5.710 1.00 0.00 C ATOM 266 CG LYS A 18 10.185 37.280 4.672 1.00 0.00 C ATOM 267 CD LYS A 18 10.591 36.796 3.280 1.00 0.00 C ATOM 268 CE LYS A 18 9.748 37.516 2.224 1.00 0.00 C ATOM 269 NZ LYS A 18 9.102 36.510 1.333 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.132 39.126 6.488 1.00 0.00 H new ATOM 0 HA LYS A 18 9.660 36.865 7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.167 37.213 5.522 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.292 35.698 5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.185 36.919 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.144 38.369 4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.650 36.990 3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.448 35.718 3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.988 38.131 2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.376 38.187 1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.585 36.999 0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.831 35.897 0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.439 35.931 1.887 1.00 0.00 H new ATOM 283 N GLN A 19 12.772 36.945 8.344 1.00 0.00 N ATOM 284 CA GLN A 19 13.691 36.341 9.298 1.00 0.00 C ATOM 285 C GLN A 19 13.131 36.412 10.712 1.00 0.00 C ATOM 286 O GLN A 19 13.225 35.450 11.474 1.00 0.00 O ATOM 287 CB GLN A 19 15.037 37.070 9.251 1.00 0.00 C ATOM 288 CG GLN A 19 15.751 36.815 7.912 1.00 0.00 C ATOM 289 CD GLN A 19 14.873 36.009 6.957 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.875 34.708 7.028 1.00 0.00 O flip ATOM 291 NE2 GLN A 19 14.170 36.582 6.124 1.00 0.00 N flip ATOM 0 H GLN A 19 13.139 37.764 7.860 1.00 0.00 H new ATOM 0 HA GLN A 19 13.825 35.294 9.027 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.881 38.140 9.387 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.667 36.733 10.074 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.014 37.767 7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.683 36.279 8.091 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.170 37.601 6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.587 36.038 5.488 1.00 0.00 H new ATOM 300 N ASP A 20 12.553 37.554 11.070 1.00 0.00 N ATOM 301 CA ASP A 20 12.002 37.716 12.404 1.00 0.00 C ATOM 302 C ASP A 20 10.943 36.654 12.675 1.00 0.00 C ATOM 303 O ASP A 20 10.894 36.081 13.763 1.00 0.00 O ATOM 304 CB ASP A 20 11.388 39.106 12.542 1.00 0.00 C ATOM 305 CG ASP A 20 12.481 40.161 12.416 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.634 39.817 12.617 1.00 0.00 O ATOM 307 OD2 ASP A 20 12.149 41.298 12.119 1.00 0.00 O1- ATOM 0 H ASP A 20 12.456 38.368 10.463 1.00 0.00 H new ATOM 0 HA ASP A 20 12.805 37.601 13.132 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.631 39.258 11.773 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.887 39.200 13.506 1.00 0.00 H new ATOM 312 N PHE A 21 10.110 36.376 11.676 1.00 0.00 N ATOM 313 CA PHE A 21 9.081 35.357 11.833 1.00 0.00 C ATOM 314 C PHE A 21 9.732 33.988 12.008 1.00 0.00 C ATOM 315 O PHE A 21 9.378 33.225 12.908 1.00 0.00 O ATOM 316 CB PHE A 21 8.159 35.321 10.610 1.00 0.00 C ATOM 317 CG PHE A 21 7.185 36.480 10.628 1.00 0.00 C ATOM 318 CD1 PHE A 21 6.351 36.696 11.737 1.00 0.00 C ATOM 319 CD2 PHE A 21 7.098 37.328 9.518 1.00 0.00 C ATOM 320 CE1 PHE A 21 5.442 37.762 11.732 1.00 0.00 C ATOM 321 CE2 PHE A 21 6.186 38.389 9.516 1.00 0.00 C ATOM 322 CZ PHE A 21 5.360 38.607 10.622 1.00 0.00 C ATOM 0 H PHE A 21 10.127 36.834 10.765 1.00 0.00 H new ATOM 0 HA PHE A 21 8.489 35.603 12.715 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.756 35.358 9.699 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.609 34.380 10.593 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.410 36.041 12.593 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.736 37.163 8.662 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.804 37.931 12.587 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.120 39.041 8.658 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.659 39.428 10.619 1.00 0.00 H new ATOM 332 N ILE A 22 10.705 33.694 11.150 1.00 0.00 N ATOM 333 CA ILE A 22 11.419 32.425 11.230 1.00 0.00 C ATOM 334 C ILE A 22 12.062 32.296 12.610 1.00 0.00 C ATOM 335 O ILE A 22 12.076 31.222 13.212 1.00 0.00 O ATOM 336 CB ILE A 22 12.487 32.343 10.131 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.809 32.353 8.758 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.290 31.047 10.284 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.871 32.489 7.665 1.00 0.00 C ATOM 0 H ILE A 22 11.014 34.311 10.399 1.00 0.00 H new ATOM 0 HA ILE A 22 10.717 31.605 11.082 1.00 0.00 H new ATOM 0 HB ILE A 22 13.156 33.199 10.219 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.240 31.434 8.615 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.101 33.179 8.696 1.00 0.00 H new ATOM 0 HG21 ILE A 22 14.047 30.993 9.501 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.775 31.033 11.260 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.620 30.192 10.200 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.388 32.496 6.688 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.420 33.420 7.805 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.562 31.648 7.722 1.00 0.00 H new ATOM 351 N SER A 23 12.582 33.414 13.103 1.00 0.00 N ATOM 352 CA SER A 23 13.212 33.445 14.418 1.00 0.00 C ATOM 353 C SER A 23 12.218 33.016 15.494 1.00 0.00 C ATOM 354 O SER A 23 12.533 32.195 16.354 1.00 0.00 O ATOM 355 CB SER A 23 13.719 34.856 14.718 1.00 0.00 C ATOM 356 OG SER A 23 14.703 35.214 13.758 1.00 0.00 O ATOM 0 H SER A 23 12.580 34.309 12.614 1.00 0.00 H new ATOM 0 HA SER A 23 14.053 32.751 14.419 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.892 35.566 14.691 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.141 34.898 15.722 1.00 0.00 H new ATOM 0 HG SER A 23 14.273 35.373 12.892 1.00 0.00 H new ATOM 362 N GLY A 24 11.011 33.577 15.436 1.00 0.00 N ATOM 363 CA GLY A 24 9.971 33.243 16.406 1.00 0.00 C ATOM 364 C GLY A 24 9.540 31.789 16.261 1.00 0.00 C ATOM 365 O GLY A 24 9.067 31.171 17.213 1.00 0.00 O ATOM 0 H GLY A 24 10.731 34.260 14.732 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.341 33.418 17.416 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.111 33.897 16.263 1.00 0.00 H new ATOM 369 N ILE A 25 9.709 31.250 15.059 1.00 0.00 N ATOM 370 CA ILE A 25 9.338 29.867 14.781 1.00 0.00 C ATOM 371 C ILE A 25 10.316 28.899 15.439 1.00 0.00 C ATOM 372 O ILE A 25 9.919 27.858 15.961 1.00 0.00 O ATOM 373 CB ILE A 25 9.339 29.640 13.268 1.00 0.00 C ATOM 374 CG1 ILE A 25 8.139 30.357 12.646 1.00 0.00 C ATOM 375 CG2 ILE A 25 9.260 28.146 12.961 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.907 29.453 12.718 1.00 0.00 C ATOM 0 H ILE A 25 10.101 31.750 14.261 1.00 0.00 H new ATOM 0 HA ILE A 25 8.344 29.684 15.188 1.00 0.00 H new ATOM 0 HB ILE A 25 10.262 30.039 12.847 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.948 31.292 13.173 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.354 30.614 11.609 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.261 27.996 11.881 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.120 27.639 13.399 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.343 27.736 13.383 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.053 29.965 12.275 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.100 28.530 12.171 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.688 29.218 13.760 1.00 0.00 H new ATOM 388 N LEU A 26 11.594 29.252 15.407 1.00 0.00 N ATOM 389 CA LEU A 26 12.624 28.406 16.001 1.00 0.00 C ATOM 390 C LEU A 26 12.809 28.736 17.481 1.00 0.00 C ATOM 391 O LEU A 26 13.258 27.902 18.265 1.00 0.00 O ATOM 392 CB LEU A 26 13.943 28.603 15.247 1.00 0.00 C ATOM 393 CG LEU A 26 14.821 29.620 15.983 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.501 28.949 17.179 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.886 30.160 15.024 1.00 0.00 C ATOM 0 H LEU A 26 11.942 30.111 14.980 1.00 0.00 H new ATOM 0 HA LEU A 26 12.313 27.364 15.923 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.468 27.652 15.162 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.743 28.949 14.233 1.00 0.00 H new ATOM 0 HG LEU A 26 14.200 30.442 16.340 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.124 29.677 17.699 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.742 28.567 17.862 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.122 28.124 16.829 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.512 30.884 15.546 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.504 29.337 14.666 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.401 30.644 14.177 1.00 0.00 H new ATOM 407 N GLU A 27 12.462 29.964 17.848 1.00 0.00 N ATOM 408 CA GLU A 27 12.593 30.419 19.228 1.00 0.00 C ATOM 409 C GLU A 27 11.560 29.758 20.138 1.00 0.00 C ATOM 410 O GLU A 27 11.847 29.452 21.296 1.00 0.00 O ATOM 411 CB GLU A 27 12.407 31.938 19.264 1.00 0.00 C ATOM 412 CG GLU A 27 12.492 32.444 20.703 1.00 0.00 C ATOM 413 CD GLU A 27 13.915 32.288 21.225 1.00 0.00 C ATOM 414 OE1 GLU A 27 14.817 32.194 20.408 1.00 0.00 O ATOM 415 OE2 GLU A 27 14.083 32.266 22.432 1.00 0.00 O1- ATOM 0 H GLU A 27 12.087 30.664 17.208 1.00 0.00 H new ATOM 0 HA GLU A 27 13.583 30.143 19.592 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.172 32.420 18.655 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.442 32.204 18.833 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.192 33.491 20.748 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.800 31.887 21.335 1.00 0.00 H new ATOM 422 N ASN A 28 10.355 29.563 19.617 1.00 0.00 N ATOM 423 CA ASN A 28 9.284 28.963 20.404 1.00 0.00 C ATOM 424 C ASN A 28 8.996 27.514 20.003 1.00 0.00 C ATOM 425 O ASN A 28 9.567 26.988 19.048 1.00 0.00 O ATOM 426 CB ASN A 28 8.013 29.788 20.229 1.00 0.00 C ATOM 427 CG ASN A 28 7.570 29.722 18.774 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.306 29.218 17.926 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.410 30.200 18.434 1.00 0.00 N ATOM 0 H ASN A 28 10.096 29.809 18.662 1.00 0.00 H new ATOM 0 HA ASN A 28 9.610 28.956 21.444 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.225 29.407 20.879 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.194 30.823 20.520 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.106 30.158 17.461 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.803 30.617 19.140 1.00 0.00 H new ATOM 436 N GLU A 29 8.085 26.898 20.752 1.00 0.00 N ATOM 437 CA GLU A 29 7.670 25.516 20.514 1.00 0.00 C ATOM 438 C GLU A 29 7.081 25.357 19.113 1.00 0.00 C ATOM 439 O GLU A 29 7.113 24.271 18.533 1.00 0.00 O ATOM 440 CB GLU A 29 6.618 25.130 21.559 1.00 0.00 C ATOM 441 CG GLU A 29 6.232 23.658 21.398 1.00 0.00 C ATOM 442 CD GLU A 29 5.154 23.288 22.415 1.00 0.00 C ATOM 443 OE1 GLU A 29 4.472 24.186 22.881 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 5.019 22.110 22.704 1.00 0.00 O ATOM 0 H GLU A 29 7.613 27.341 21.540 1.00 0.00 H new ATOM 0 HA GLU A 29 8.541 24.865 20.594 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.009 25.304 22.561 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.735 25.760 21.448 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.867 23.477 20.387 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.109 23.026 21.538 1.00 0.00 H new ATOM 451 N GLN A 30 6.541 26.449 18.585 1.00 0.00 N ATOM 452 CA GLN A 30 5.933 26.445 17.257 1.00 0.00 C ATOM 453 C GLN A 30 6.868 25.816 16.224 1.00 0.00 C ATOM 454 O GLN A 30 6.444 25.459 15.118 1.00 0.00 O ATOM 455 CB GLN A 30 5.606 27.882 16.849 1.00 0.00 C ATOM 456 CG GLN A 30 4.546 28.448 17.798 1.00 0.00 C ATOM 457 CD GLN A 30 4.148 29.851 17.356 1.00 0.00 C ATOM 458 OE1 GLN A 30 4.277 30.807 18.122 1.00 0.00 O ATOM 459 NE2 GLN A 30 3.672 30.033 16.159 1.00 0.00 N ATOM 0 H GLN A 30 6.511 27.353 19.057 1.00 0.00 H new ATOM 0 HA GLN A 30 5.021 25.850 17.294 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.506 28.496 16.883 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.242 27.907 15.822 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.671 27.799 17.808 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.934 28.475 18.816 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.566 29.240 15.526 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.405 30.969 15.853 1.00 0.00 H new ATOM 468 N LYS A 31 8.142 25.693 16.587 1.00 0.00 N ATOM 469 CA LYS A 31 9.129 25.119 15.680 1.00 0.00 C ATOM 470 C LYS A 31 8.708 23.721 15.230 1.00 0.00 C ATOM 471 O LYS A 31 8.990 23.311 14.106 1.00 0.00 O ATOM 472 CB LYS A 31 10.493 25.046 16.369 1.00 0.00 C ATOM 473 CG LYS A 31 10.505 23.889 17.371 1.00 0.00 C ATOM 474 CD LYS A 31 11.811 23.921 18.174 1.00 0.00 C ATOM 475 CE LYS A 31 11.963 22.628 18.979 1.00 0.00 C ATOM 476 NZ LYS A 31 10.702 21.840 18.910 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.512 25.980 17.493 1.00 0.00 H new ATOM 0 HA LYS A 31 9.198 25.761 14.802 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.279 24.905 15.627 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.703 25.985 16.881 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.650 23.967 18.043 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.412 22.938 16.846 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.659 24.041 17.500 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.814 24.780 18.846 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.792 22.040 18.586 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.201 22.861 20.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.754 21.043 19.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.898 22.450 19.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.573 21.476 17.945 1.00 0.00 H new ATOM 490 N ASP A 32 8.036 22.987 16.108 1.00 0.00 N ATOM 491 CA ASP A 32 7.594 21.641 15.765 1.00 0.00 C ATOM 492 C ASP A 32 6.497 21.674 14.708 1.00 0.00 C ATOM 493 O ASP A 32 6.424 20.795 13.850 1.00 0.00 O ATOM 494 CB ASP A 32 7.091 20.913 17.007 1.00 0.00 C ATOM 495 CG ASP A 32 8.263 20.626 17.932 1.00 0.00 C ATOM 496 OD1 ASP A 32 9.386 20.741 17.473 1.00 0.00 O ATOM 497 OD2 ASP A 32 8.022 20.293 19.080 1.00 0.00 O1- ATOM 0 H ASP A 32 7.788 23.294 17.048 1.00 0.00 H new ATOM 0 HA ASP A 32 8.450 21.105 15.357 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.347 21.521 17.522 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.601 19.982 16.723 1.00 0.00 H new ATOM 502 N LEU A 33 5.640 22.689 14.775 1.00 0.00 N ATOM 503 CA LEU A 33 4.550 22.810 13.813 1.00 0.00 C ATOM 504 C LEU A 33 5.100 23.011 12.408 1.00 0.00 C ATOM 505 O LEU A 33 4.607 22.413 11.450 1.00 0.00 O ATOM 506 CB LEU A 33 3.641 23.983 14.187 1.00 0.00 C ATOM 507 CG LEU A 33 3.055 23.758 15.586 1.00 0.00 C ATOM 508 CD1 LEU A 33 1.940 24.772 15.839 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.486 22.339 15.691 1.00 0.00 C ATOM 0 H LEU A 33 5.678 23.430 15.475 1.00 0.00 H new ATOM 0 HA LEU A 33 3.969 21.888 13.835 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.206 24.915 14.165 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.837 24.080 13.457 1.00 0.00 H new ATOM 0 HG LEU A 33 3.842 23.885 16.329 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.522 24.613 16.833 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.345 25.782 15.772 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.156 24.645 15.092 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.071 22.186 16.687 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.701 22.206 14.947 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.281 21.614 15.514 1.00 0.00 H new ATOM 521 N VAL A 34 6.137 23.836 12.286 1.00 0.00 N ATOM 522 CA VAL A 34 6.741 24.065 10.977 1.00 0.00 C ATOM 523 C VAL A 34 7.492 22.819 10.531 1.00 0.00 C ATOM 524 O VAL A 34 7.499 22.471 9.351 1.00 0.00 O ATOM 525 CB VAL A 34 7.704 25.252 11.019 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.708 25.045 12.145 1.00 0.00 C ATOM 527 CG2 VAL A 34 8.448 25.345 9.685 1.00 0.00 C ATOM 0 H VAL A 34 6.568 24.346 13.057 1.00 0.00 H new ATOM 0 HA VAL A 34 5.944 24.289 10.268 1.00 0.00 H new ATOM 0 HB VAL A 34 7.146 26.173 11.192 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.397 25.889 12.178 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.179 24.971 13.095 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.268 24.127 11.969 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.136 26.190 9.710 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.009 24.426 9.516 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.730 25.486 8.877 1.00 0.00 H new ATOM 537 N ALA A 35 8.119 22.145 11.491 1.00 0.00 N ATOM 538 CA ALA A 35 8.867 20.933 11.192 1.00 0.00 C ATOM 539 C ALA A 35 7.941 19.885 10.588 1.00 0.00 C ATOM 540 O ALA A 35 8.296 19.210 9.622 1.00 0.00 O ATOM 541 CB ALA A 35 9.495 20.376 12.472 1.00 0.00 C ATOM 0 H ALA A 35 8.123 22.416 12.474 1.00 0.00 H new ATOM 0 HA ALA A 35 9.654 21.175 10.478 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.053 19.469 12.239 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.170 21.118 12.899 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.710 20.144 13.191 1.00 0.00 H new ATOM 547 N LYS A 36 6.749 19.758 11.164 1.00 0.00 N ATOM 548 CA LYS A 36 5.776 18.792 10.671 1.00 0.00 C ATOM 549 C LYS A 36 5.343 19.126 9.244 1.00 0.00 C ATOM 550 O LYS A 36 5.239 18.237 8.397 1.00 0.00 O ATOM 551 CB LYS A 36 4.558 18.764 11.595 1.00 0.00 C ATOM 552 CG LYS A 36 4.950 18.127 12.931 1.00 0.00 C ATOM 553 CD LYS A 36 3.706 17.957 13.806 1.00 0.00 C ATOM 554 CE LYS A 36 4.076 17.161 15.061 1.00 0.00 C ATOM 555 NZ LYS A 36 3.353 17.706 16.247 1.00 0.00 N1+ ATOM 0 H LYS A 36 6.437 20.307 11.965 1.00 0.00 H new ATOM 0 HA LYS A 36 6.246 17.808 10.661 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.187 19.776 11.757 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.749 18.198 11.133 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.421 17.159 12.759 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.683 18.752 13.442 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.307 18.932 14.084 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.924 17.439 13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.822 16.110 14.922 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.152 17.210 15.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.611 17.159 17.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.616 18.703 16.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.327 17.637 16.090 1.00 0.00 H new ATOM 569 N LEU A 37 5.091 20.404 8.973 1.00 0.00 N ATOM 570 CA LEU A 37 4.672 20.809 7.632 1.00 0.00 C ATOM 571 C LEU A 37 5.788 20.534 6.630 1.00 0.00 C ATOM 572 O LEU A 37 5.532 20.123 5.498 1.00 0.00 O ATOM 573 CB LEU A 37 4.300 22.293 7.600 1.00 0.00 C ATOM 574 CG LEU A 37 3.509 22.579 6.318 1.00 0.00 C ATOM 575 CD1 LEU A 37 2.767 23.910 6.448 1.00 0.00 C ATOM 576 CD2 LEU A 37 4.465 22.645 5.122 1.00 0.00 C ATOM 0 H LEU A 37 5.167 21.165 9.648 1.00 0.00 H new ATOM 0 HA LEU A 37 3.791 20.227 7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.705 22.551 8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.199 22.908 7.633 1.00 0.00 H new ATOM 0 HG LEU A 37 2.787 21.777 6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.208 24.106 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.078 23.862 7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.486 24.713 6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.898 22.848 4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.193 23.441 5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.985 21.693 5.019 1.00 0.00 H new ATOM 588 N THR A 38 7.029 20.746 7.056 1.00 0.00 N ATOM 589 CA THR A 38 8.171 20.496 6.188 1.00 0.00 C ATOM 590 C THR A 38 8.801 19.152 6.542 1.00 0.00 C ATOM 591 O THR A 38 10.017 18.978 6.449 1.00 0.00 O ATOM 592 CB THR A 38 9.209 21.611 6.331 1.00 0.00 C ATOM 593 OG1 THR A 38 10.268 21.384 5.413 1.00 0.00 O ATOM 594 CG2 THR A 38 9.758 21.622 7.758 1.00 0.00 C ATOM 0 H THR A 38 7.267 21.087 7.987 1.00 0.00 H new ATOM 0 HA THR A 38 7.827 20.474 5.154 1.00 0.00 H new ATOM 0 HB THR A 38 8.743 22.574 6.120 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.655 22.242 5.141 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.497 22.417 7.857 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.942 21.795 8.460 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.226 20.662 7.975 1.00 0.00 H new ATOM 602 N ASN A 39 7.955 18.214 6.958 1.00 0.00 N ATOM 603 CA ASN A 39 8.406 16.879 7.340 1.00 0.00 C ATOM 604 C ASN A 39 9.514 16.957 8.388 1.00 0.00 C ATOM 605 O ASN A 39 9.266 16.756 9.576 1.00 0.00 O ATOM 606 CB ASN A 39 8.914 16.120 6.111 1.00 0.00 C ATOM 607 CG ASN A 39 7.929 16.275 4.956 1.00 0.00 C ATOM 608 OD1 ASN A 39 8.329 16.601 3.838 1.00 0.00 O ATOM 609 ND2 ASN A 39 6.658 16.055 5.158 1.00 0.00 N ATOM 0 H ASN A 39 6.948 18.355 7.039 1.00 0.00 H new ATOM 0 HA ASN A 39 7.557 16.346 7.769 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.893 16.500 5.818 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.041 15.065 6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.995 16.153 4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.328 15.785 6.085 1.00 0.00 H new ATOM 616 N SER A 40 10.733 17.248 7.946 1.00 0.00 N ATOM 617 CA SER A 40 11.860 17.341 8.868 1.00 0.00 C ATOM 618 C SER A 40 13.011 18.130 8.252 1.00 0.00 C ATOM 619 O SER A 40 14.175 17.782 8.438 1.00 0.00 O ATOM 620 CB SER A 40 12.349 15.939 9.229 1.00 0.00 C ATOM 621 OG SER A 40 12.197 15.085 8.104 1.00 0.00 O ATOM 0 H SER A 40 10.965 17.422 6.968 1.00 0.00 H new ATOM 0 HA SER A 40 11.521 17.861 9.764 1.00 0.00 H new ATOM 0 HB2 SER A 40 13.395 15.974 9.535 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.782 15.550 10.075 1.00 0.00 H new ATOM 0 HG SER A 40 12.511 14.185 8.332 1.00 0.00 H new ATOM 627 N ASP A 41 12.685 19.189 7.521 1.00 0.00 N ATOM 628 CA ASP A 41 13.715 20.002 6.895 1.00 0.00 C ATOM 629 C ASP A 41 14.406 20.882 7.934 1.00 0.00 C ATOM 630 O ASP A 41 13.781 21.314 8.902 1.00 0.00 O ATOM 631 CB ASP A 41 13.103 20.876 5.799 1.00 0.00 C ATOM 632 CG ASP A 41 12.368 19.994 4.795 1.00 0.00 C ATOM 633 OD1 ASP A 41 11.993 18.893 5.167 1.00 0.00 O1- ATOM 634 OD2 ASP A 41 12.198 20.428 3.667 1.00 0.00 O ATOM 0 H ASP A 41 11.729 19.500 7.350 1.00 0.00 H new ATOM 0 HA ASP A 41 14.456 19.338 6.450 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.414 21.598 6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.884 21.446 5.295 1.00 0.00 H new ATOM 639 N PRO A 42 15.675 21.149 7.750 1.00 0.00 N ATOM 640 CA PRO A 42 16.468 22.002 8.683 1.00 0.00 C ATOM 641 C PRO A 42 15.737 23.290 9.068 1.00 0.00 C ATOM 642 O PRO A 42 14.592 23.257 9.515 1.00 0.00 O ATOM 643 CB PRO A 42 17.736 22.314 7.886 1.00 0.00 C ATOM 644 CG PRO A 42 17.898 21.171 6.945 1.00 0.00 C ATOM 645 CD PRO A 42 16.496 20.663 6.626 1.00 0.00 C ATOM 0 HA PRO A 42 16.659 21.500 9.631 1.00 0.00 H new ATOM 0 HB2 PRO A 42 17.640 23.257 7.347 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.601 22.409 8.543 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.411 21.487 6.037 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.502 20.383 7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.138 21.052 5.673 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.472 19.576 6.555 1.00 0.00 H new ATOM 653 N ILE A 43 16.412 24.421 8.896 1.00 0.00 N ATOM 654 CA ILE A 43 15.822 25.708 9.227 1.00 0.00 C ATOM 655 C ILE A 43 15.066 26.260 8.022 1.00 0.00 C ATOM 656 O ILE A 43 14.740 27.446 7.970 1.00 0.00 O ATOM 657 CB ILE A 43 16.916 26.690 9.656 1.00 0.00 C ATOM 658 CG1 ILE A 43 17.845 25.999 10.657 1.00 0.00 C ATOM 659 CG2 ILE A 43 16.279 27.910 10.326 1.00 0.00 C ATOM 660 CD1 ILE A 43 19.062 26.886 10.924 1.00 0.00 C ATOM 0 H ILE A 43 17.363 24.471 8.531 1.00 0.00 H new ATOM 0 HA ILE A 43 15.123 25.576 10.052 1.00 0.00 H new ATOM 0 HB ILE A 43 17.481 27.009 8.780 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.313 25.805 11.588 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.165 25.034 10.265 1.00 0.00 H new ATOM 0 HG21 ILE A 43 17.060 28.607 10.630 1.00 0.00 H new ATOM 0 HG22 ILE A 43 15.607 28.402 9.623 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.716 27.591 11.203 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.722 26.393 11.637 1.00 0.00 H new ATOM 0 HD12 ILE A 43 19.599 27.058 9.991 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.733 27.841 11.335 1.00 0.00 H new ATOM 672 N MET A 44 14.778 25.386 7.055 1.00 0.00 N ATOM 673 CA MET A 44 14.050 25.804 5.865 1.00 0.00 C ATOM 674 C MET A 44 12.853 26.645 6.281 1.00 0.00 C ATOM 675 O MET A 44 12.468 27.588 5.590 1.00 0.00 O ATOM 676 CB MET A 44 13.581 24.576 5.076 1.00 0.00 C ATOM 677 CG MET A 44 12.670 25.013 3.928 1.00 0.00 C ATOM 678 SD MET A 44 13.496 26.293 2.956 1.00 0.00 S ATOM 679 CE MET A 44 12.167 26.543 1.753 1.00 0.00 C ATOM 0 H MET A 44 15.035 24.399 7.075 1.00 0.00 H new ATOM 0 HA MET A 44 14.706 26.396 5.227 1.00 0.00 H new ATOM 0 HB2 MET A 44 14.442 24.035 4.683 1.00 0.00 H new ATOM 0 HB3 MET A 44 13.047 23.891 5.735 1.00 0.00 H new ATOM 0 HG2 MET A 44 12.430 24.159 3.295 1.00 0.00 H new ATOM 0 HG3 MET A 44 11.727 25.392 4.322 1.00 0.00 H new ATOM 0 HE1 MET A 44 12.393 27.414 1.137 1.00 0.00 H new ATOM 0 HE2 MET A 44 12.081 25.662 1.118 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.226 26.705 2.279 1.00 0.00 H new ATOM 689 N ASN A 45 12.286 26.304 7.432 1.00 0.00 N ATOM 690 CA ASN A 45 11.150 27.040 7.964 1.00 0.00 C ATOM 691 C ASN A 45 10.121 27.327 6.873 1.00 0.00 C ATOM 692 O ASN A 45 9.303 28.236 7.010 1.00 0.00 O ATOM 693 CB ASN A 45 11.638 28.359 8.557 1.00 0.00 C ATOM 694 CG ASN A 45 12.076 29.276 7.428 1.00 0.00 C ATOM 695 OD1 ASN A 45 13.268 29.537 7.262 1.00 0.00 O ATOM 696 ND2 ASN A 45 11.175 29.776 6.631 1.00 0.00 N ATOM 0 H ASN A 45 12.595 25.524 8.012 1.00 0.00 H new ATOM 0 HA ASN A 45 10.675 26.432 8.734 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.843 28.828 9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.468 28.180 9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.455 30.387 5.864 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.189 29.556 6.774 1.00 0.00 H new ATOM 703 N GLN A 46 10.164 26.545 5.797 1.00 0.00 N ATOM 704 CA GLN A 46 9.221 26.717 4.691 1.00 0.00 C ATOM 705 C GLN A 46 9.392 28.074 4.006 1.00 0.00 C ATOM 706 O GLN A 46 8.408 28.727 3.684 1.00 0.00 O ATOM 707 CB GLN A 46 7.797 26.641 5.228 1.00 0.00 C ATOM 708 CG GLN A 46 7.608 25.351 6.017 1.00 0.00 C ATOM 709 CD GLN A 46 6.188 25.296 6.559 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.251 25.020 5.812 1.00 0.00 O ATOM 711 NE2 GLN A 46 5.971 25.554 7.818 1.00 0.00 N ATOM 0 H GLN A 46 10.837 25.790 5.666 1.00 0.00 H new ATOM 0 HA GLN A 46 9.417 25.927 3.966 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.593 27.501 5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.085 26.681 4.403 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.799 24.489 5.378 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.324 25.305 6.837 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.751 25.782 8.434 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.021 25.527 8.188 1.00 0.00 H new ATOM 720 N LEU A 47 10.624 28.497 3.785 1.00 0.00 N ATOM 721 CA LEU A 47 10.861 29.791 3.145 1.00 0.00 C ATOM 722 C LEU A 47 9.942 29.995 1.935 1.00 0.00 C ATOM 723 O LEU A 47 9.281 31.024 1.826 1.00 0.00 O ATOM 724 CB LEU A 47 12.330 29.897 2.721 1.00 0.00 C ATOM 725 CG LEU A 47 13.187 30.157 3.970 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.629 29.688 3.748 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.199 31.657 4.276 1.00 0.00 C ATOM 0 H LEU A 47 11.467 27.978 4.032 1.00 0.00 H new ATOM 0 HA LEU A 47 10.635 30.575 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.648 28.978 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.458 30.705 2.000 1.00 0.00 H new ATOM 0 HG LEU A 47 12.757 29.602 4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.217 29.882 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.635 28.619 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.062 30.229 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.807 31.843 5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.619 32.198 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.180 32.000 4.456 1.00 0.00 H new ATOM 739 N ASP A 48 9.915 29.024 1.026 1.00 0.00 N ATOM 740 CA ASP A 48 9.080 29.142 -0.175 1.00 0.00 C ATOM 741 C ASP A 48 7.595 29.267 0.179 1.00 0.00 C ATOM 742 O ASP A 48 6.948 30.243 -0.204 1.00 0.00 O ATOM 743 CB ASP A 48 9.281 27.927 -1.082 1.00 0.00 C ATOM 744 CG ASP A 48 8.595 28.165 -2.425 1.00 0.00 C ATOM 745 OD1 ASP A 48 8.273 29.308 -2.708 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 8.404 27.202 -3.151 1.00 0.00 O ATOM 0 H ASP A 48 10.451 28.158 1.092 1.00 0.00 H new ATOM 0 HA ASP A 48 9.387 30.048 -0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.345 27.747 -1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.872 27.035 -0.607 1.00 0.00 H new ATOM 751 N LEU A 49 7.055 28.286 0.910 1.00 0.00 N ATOM 752 CA LEU A 49 5.641 28.331 1.292 1.00 0.00 C ATOM 753 C LEU A 49 5.382 29.474 2.272 1.00 0.00 C ATOM 754 O LEU A 49 4.378 30.178 2.164 1.00 0.00 O ATOM 755 CB LEU A 49 5.202 26.998 1.918 1.00 0.00 C ATOM 756 CG LEU A 49 4.910 25.970 0.821 1.00 0.00 C ATOM 757 CD1 LEU A 49 3.596 26.328 0.120 1.00 0.00 C ATOM 758 CD2 LEU A 49 6.053 25.964 -0.197 1.00 0.00 C ATOM 0 H LEU A 49 7.564 27.467 1.243 1.00 0.00 H new ATOM 0 HA LEU A 49 5.056 28.503 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.983 26.623 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.313 27.150 2.530 1.00 0.00 H new ATOM 0 HG LEU A 49 4.823 24.980 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.389 25.596 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.783 26.324 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.680 27.319 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.842 25.232 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.147 26.953 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.985 25.703 0.304 1.00 0.00 H new ATOM 770 N LEU A 50 6.287 29.645 3.232 1.00 0.00 N ATOM 771 CA LEU A 50 6.131 30.704 4.224 1.00 0.00 C ATOM 772 C LEU A 50 6.071 32.048 3.512 1.00 0.00 C ATOM 773 O LEU A 50 5.240 32.894 3.840 1.00 0.00 O ATOM 774 CB LEU A 50 7.313 30.681 5.208 1.00 0.00 C ATOM 775 CG LEU A 50 6.939 31.352 6.533 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.182 31.416 7.423 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.422 32.767 6.283 1.00 0.00 C ATOM 0 H LEU A 50 7.124 29.073 3.344 1.00 0.00 H new ATOM 0 HA LEU A 50 5.209 30.547 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.618 29.651 5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.168 31.192 4.766 1.00 0.00 H new ATOM 0 HG LEU A 50 6.155 30.773 7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.927 31.892 8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.547 30.406 7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.958 31.995 6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.160 33.232 7.233 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.197 33.356 5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.540 32.724 5.644 1.00 0.00 H new ATOM 789 N HIS A 51 6.949 32.244 2.529 1.00 0.00 N ATOM 790 CA HIS A 51 6.970 33.493 1.786 1.00 0.00 C ATOM 791 C HIS A 51 5.617 33.770 1.135 1.00 0.00 C ATOM 792 O HIS A 51 5.071 34.860 1.292 1.00 0.00 O ATOM 793 CB HIS A 51 8.064 33.434 0.718 1.00 0.00 C ATOM 794 CG HIS A 51 9.410 33.499 1.387 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.584 33.671 0.672 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.783 33.422 2.709 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.598 33.693 1.555 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.165 33.547 2.812 1.00 0.00 N ATOM 0 H HIS A 51 7.646 31.560 2.235 1.00 0.00 H new ATOM 0 HA HIS A 51 7.180 34.306 2.481 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.976 32.514 0.140 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.952 34.262 0.018 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.665 33.764 -0.341 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.107 33.285 3.540 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.636 33.814 1.282 1.00 0.00 H new ATOM 807 N LYS A 52 5.066 32.791 0.415 1.00 0.00 N ATOM 808 CA LYS A 52 3.767 32.997 -0.226 1.00 0.00 C ATOM 809 C LYS A 52 2.722 33.303 0.833 1.00 0.00 C ATOM 810 O LYS A 52 1.958 34.259 0.717 1.00 0.00 O ATOM 811 CB LYS A 52 3.320 31.741 -0.976 1.00 0.00 C ATOM 812 CG LYS A 52 4.299 31.408 -2.097 1.00 0.00 C ATOM 813 CD LYS A 52 3.754 30.208 -2.876 1.00 0.00 C ATOM 814 CE LYS A 52 4.820 29.676 -3.833 1.00 0.00 C ATOM 815 NZ LYS A 52 4.240 28.580 -4.663 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.484 31.873 0.264 1.00 0.00 H new ATOM 0 HA LYS A 52 3.868 33.825 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.253 30.902 -0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.323 31.893 -1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.423 32.265 -2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.282 31.178 -1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.451 29.422 -2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.865 30.501 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.182 30.480 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.677 29.306 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.965 28.217 -5.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.915 27.810 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.435 28.947 -5.210 1.00 0.00 H new ATOM 829 N TRP A 53 2.713 32.481 1.872 1.00 0.00 N ATOM 830 CA TRP A 53 1.776 32.653 2.969 1.00 0.00 C ATOM 831 C TRP A 53 1.901 34.069 3.523 1.00 0.00 C ATOM 832 O TRP A 53 0.919 34.800 3.629 1.00 0.00 O ATOM 833 CB TRP A 53 2.101 31.618 4.047 1.00 0.00 C ATOM 834 CG TRP A 53 1.007 31.551 5.055 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.037 30.692 5.011 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.836 32.344 6.261 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.838 30.906 6.117 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.341 31.917 6.918 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.583 33.382 6.845 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.765 32.500 8.112 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.161 33.973 8.049 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.011 33.533 8.679 1.00 0.00 C ATOM 0 H TRP A 53 3.345 31.688 1.977 1.00 0.00 H new ATOM 0 HA TRP A 53 0.751 32.508 2.628 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.241 30.639 3.589 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.039 31.878 4.537 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.215 29.959 4.238 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.690 30.383 6.317 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.487 33.728 6.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.668 32.157 8.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.742 34.769 8.490 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.332 33.992 9.603 1.00 0.00 H new ATOM 853 N LEU A 54 3.127 34.441 3.870 1.00 0.00 N ATOM 854 CA LEU A 54 3.386 35.769 4.410 1.00 0.00 C ATOM 855 C LEU A 54 2.931 36.838 3.418 1.00 0.00 C ATOM 856 O LEU A 54 2.195 37.761 3.772 1.00 0.00 O ATOM 857 CB LEU A 54 4.879 35.949 4.680 1.00 0.00 C ATOM 858 CG LEU A 54 5.088 37.225 5.498 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.661 36.975 6.943 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.563 37.626 5.464 1.00 0.00 C ATOM 0 H LEU A 54 3.952 33.847 3.788 1.00 0.00 H new ATOM 0 HA LEU A 54 2.831 35.873 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.270 35.087 5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.427 36.011 3.740 1.00 0.00 H new ATOM 0 HG LEU A 54 4.488 38.029 5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.809 37.883 7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.608 36.695 6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.261 36.169 7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.706 38.535 6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.168 36.824 5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.868 37.805 4.433 1.00 0.00 H new ATOM 872 N ASP A 55 3.389 36.706 2.175 1.00 0.00 N ATOM 873 CA ASP A 55 3.054 37.658 1.120 1.00 0.00 C ATOM 874 C ASP A 55 1.542 37.785 0.934 1.00 0.00 C ATOM 875 O ASP A 55 1.017 38.886 0.777 1.00 0.00 O ATOM 876 CB ASP A 55 3.694 37.200 -0.192 1.00 0.00 C ATOM 877 CG ASP A 55 5.213 37.214 -0.059 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.701 37.840 0.867 1.00 0.00 O ATOM 879 OD2 ASP A 55 5.865 36.589 -0.880 1.00 0.00 O1- ATOM 0 H ASP A 55 3.997 35.944 1.873 1.00 0.00 H new ATOM 0 HA ASP A 55 3.438 38.636 1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.351 36.196 -0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.385 37.856 -1.006 1.00 0.00 H new ATOM 884 N ARG A 56 0.850 36.651 0.956 1.00 0.00 N ATOM 885 CA ARG A 56 -0.598 36.632 0.793 1.00 0.00 C ATOM 886 C ARG A 56 -1.283 37.390 1.923 1.00 0.00 C ATOM 887 O ARG A 56 -2.350 37.973 1.739 1.00 0.00 O ATOM 888 CB ARG A 56 -1.079 35.183 0.796 1.00 0.00 C ATOM 889 CG ARG A 56 -2.572 35.117 0.475 1.00 0.00 C ATOM 890 CD ARG A 56 -3.020 33.661 0.582 1.00 0.00 C ATOM 891 NE ARG A 56 -4.381 33.489 0.088 1.00 0.00 N ATOM 892 CZ ARG A 56 -5.073 32.396 0.394 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.558 31.512 1.203 1.00 0.00 N ATOM 894 NH2 ARG A 56 -6.268 32.217 -0.095 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.271 35.731 1.086 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.850 37.116 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.517 34.605 0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.890 34.732 1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.137 35.740 1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.762 35.500 -0.527 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.341 33.026 0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.964 33.336 1.621 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.804 34.211 -0.495 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.629 31.661 1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.084 30.671 1.442 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.675 32.917 -0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.796 31.377 0.142 1.00 0.00 H new ATOM 908 N HIS A 57 -0.670 37.348 3.099 1.00 0.00 N ATOM 909 CA HIS A 57 -1.230 38.006 4.269 1.00 0.00 C ATOM 910 C HIS A 57 -0.394 39.211 4.692 1.00 0.00 C ATOM 911 O HIS A 57 -0.562 39.715 5.797 1.00 0.00 O ATOM 912 CB HIS A 57 -1.295 37.009 5.427 1.00 0.00 C ATOM 913 CG HIS A 57 -2.085 35.798 5.005 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.378 35.887 4.515 1.00 0.00 N ATOM 915 CD2 HIS A 57 -1.774 34.461 5.004 1.00 0.00 C ATOM 916 CE1 HIS A 57 -3.795 34.637 4.244 1.00 0.00 C ATOM 917 NE2 HIS A 57 -2.855 33.730 4.523 1.00 0.00 N ATOM 0 H HIS A 57 0.213 36.866 3.266 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.228 38.359 4.011 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.288 36.714 5.724 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.760 37.475 6.296 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.833 34.041 5.327 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.771 34.396 3.849 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.917 32.718 4.408 1.00 0.00 H new ATOM 926 N ARG A 58 0.497 39.679 3.821 1.00 0.00 N ATOM 927 CA ARG A 58 1.329 40.833 4.156 1.00 0.00 C ATOM 928 C ARG A 58 0.468 42.010 4.604 1.00 0.00 C ATOM 929 O ARG A 58 0.852 42.775 5.490 1.00 0.00 O ATOM 930 CB ARG A 58 2.181 41.232 2.951 1.00 0.00 C ATOM 931 CG ARG A 58 1.287 41.676 1.799 1.00 0.00 C ATOM 932 CD ARG A 58 2.138 41.781 0.533 1.00 0.00 C ATOM 933 NE ARG A 58 3.254 42.704 0.746 1.00 0.00 N ATOM 934 CZ ARG A 58 3.043 43.988 1.021 1.00 0.00 C ATOM 935 NH1 ARG A 58 1.827 44.447 1.071 1.00 0.00 N ATOM 936 NH2 ARG A 58 4.054 44.789 1.237 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.660 39.286 2.894 1.00 0.00 H new ATOM 0 HA ARG A 58 1.986 40.556 4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.859 42.040 3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.799 40.390 2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.477 40.962 1.652 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.827 42.638 2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.518 40.797 0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.524 42.128 -0.298 1.00 0.00 H new ATOM 0 HE ARG A 58 4.211 42.356 0.682 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.039 43.823 0.900 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.662 45.431 1.282 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.008 44.429 1.195 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.889 45.773 1.448 1.00 0.00 H new ATOM 950 N ASP A 59 -0.701 42.141 3.993 1.00 0.00 N ATOM 951 CA ASP A 59 -1.616 43.220 4.339 1.00 0.00 C ATOM 952 C ASP A 59 -1.976 43.163 5.824 1.00 0.00 C ATOM 953 O ASP A 59 -2.266 44.188 6.441 1.00 0.00 O ATOM 954 CB ASP A 59 -2.895 43.112 3.503 1.00 0.00 C ATOM 955 CG ASP A 59 -3.049 44.338 2.610 1.00 0.00 C ATOM 956 OD1 ASP A 59 -2.102 44.665 1.918 1.00 0.00 O ATOM 957 OD2 ASP A 59 -4.117 44.930 2.632 1.00 0.00 O1- ATOM 0 H ASP A 59 -1.037 41.517 3.259 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.122 44.169 4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.863 42.210 2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.760 43.021 4.160 1.00 0.00 H new ATOM 962 N MET A 60 -1.975 41.955 6.385 1.00 0.00 N ATOM 963 CA MET A 60 -2.327 41.767 7.789 1.00 0.00 C ATOM 964 C MET A 60 -1.430 42.594 8.705 1.00 0.00 C ATOM 965 O MET A 60 -1.850 43.006 9.783 1.00 0.00 O ATOM 966 CB MET A 60 -2.208 40.288 8.164 1.00 0.00 C ATOM 967 CG MET A 60 -0.750 39.940 8.467 1.00 0.00 C ATOM 968 SD MET A 60 -0.541 38.143 8.362 1.00 0.00 S ATOM 969 CE MET A 60 1.268 38.120 8.278 1.00 0.00 C ATOM 0 H MET A 60 -1.735 41.096 5.890 1.00 0.00 H new ATOM 0 HA MET A 60 -3.356 42.102 7.921 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.830 40.074 9.033 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.577 39.667 7.348 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.088 40.438 7.758 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.477 40.294 9.461 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.622 37.090 8.333 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.594 38.566 7.339 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.678 38.689 9.112 1.00 0.00 H new ATOM 979 N CYS A 61 -0.200 42.841 8.270 1.00 0.00 N ATOM 980 CA CYS A 61 0.744 43.622 9.067 1.00 0.00 C ATOM 981 C CYS A 61 0.231 45.039 9.271 1.00 0.00 C ATOM 982 O CYS A 61 0.552 45.691 10.265 1.00 0.00 O ATOM 983 CB CYS A 61 2.108 43.677 8.376 1.00 0.00 C ATOM 984 SG CYS A 61 1.968 44.628 6.842 1.00 0.00 S ATOM 0 H CYS A 61 0.167 42.515 7.376 1.00 0.00 H new ATOM 0 HA CYS A 61 0.847 43.135 10.037 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.844 44.137 9.036 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.460 42.668 8.160 1.00 0.00 H new ATOM 0 HG CYS A 61 1.294 43.943 5.967 1.00 0.00 H new ATOM 990 N GLU A 62 -0.560 45.511 8.320 1.00 0.00 N ATOM 991 CA GLU A 62 -1.108 46.855 8.397 1.00 0.00 C ATOM 992 C GLU A 62 -2.172 46.931 9.487 1.00 0.00 C ATOM 993 O GLU A 62 -2.597 48.019 9.874 1.00 0.00 O ATOM 994 CB GLU A 62 -1.726 47.238 7.047 1.00 0.00 C ATOM 995 CG GLU A 62 -0.641 47.233 5.967 1.00 0.00 C ATOM 996 CD GLU A 62 -1.228 47.667 4.629 1.00 0.00 C ATOM 997 OE1 GLU A 62 -2.422 47.911 4.579 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 -0.475 47.753 3.674 1.00 0.00 O ATOM 0 H GLU A 62 -0.835 44.986 7.490 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.304 47.550 8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.517 46.536 6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.184 48.225 7.112 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.169 47.904 6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.211 46.235 5.877 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.610 45.768 9.976 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.631 45.717 11.015 1.00 0.00 C ATOM 1007 C LYS A 63 -3.009 45.813 12.408 1.00 0.00 C ATOM 1008 O LYS A 63 -3.658 45.484 13.402 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.406 44.396 10.922 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.858 44.145 9.482 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.681 45.329 8.987 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.356 44.958 7.668 1.00 0.00 C ATOM 1013 NZ LYS A 63 -6.863 46.193 7.011 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.273 44.856 9.668 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.300 46.564 10.862 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.777 43.573 11.261 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.273 44.428 11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.990 43.999 8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.450 43.231 9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.432 45.601 9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.040 46.200 8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.648 44.449 7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.178 44.265 7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.323 45.944 6.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.551 46.661 7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.069 46.839 6.826 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.766 46.281 12.489 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.120 46.422 13.792 1.00 0.00 C ATOM 1029 C TRP A 64 0.259 47.080 13.686 1.00 0.00 C ATOM 1030 O TRP A 64 0.615 47.927 14.505 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.994 45.058 14.481 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.164 43.947 13.489 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.405 43.769 12.384 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.131 42.853 13.499 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.834 42.636 11.723 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.901 42.038 12.364 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.174 42.493 14.371 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.673 40.906 12.106 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.956 41.353 14.113 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.705 40.562 12.982 1.00 0.00 C ATOM 0 H TRP A 64 -1.198 46.563 11.690 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.754 47.075 14.392 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.020 44.977 14.963 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.746 44.970 15.266 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.406 44.410 12.070 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.413 42.283 10.864 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.376 43.096 15.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.474 40.299 11.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.754 41.085 14.789 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.309 39.688 12.789 1.00 0.00 H new ATOM 1051 N LYS A 65 1.036 46.668 12.686 1.00 0.00 N ATOM 1052 CA LYS A 65 2.383 47.202 12.489 1.00 0.00 C ATOM 1053 C LYS A 65 3.256 46.897 13.708 1.00 0.00 C ATOM 1054 O LYS A 65 4.398 47.345 13.800 1.00 0.00 O ATOM 1055 CB LYS A 65 2.331 48.713 12.232 1.00 0.00 C ATOM 1056 CG LYS A 65 3.697 49.193 11.728 1.00 0.00 C ATOM 1057 CD LYS A 65 3.615 50.661 11.303 1.00 0.00 C ATOM 1058 CE LYS A 65 4.986 51.118 10.799 1.00 0.00 C ATOM 1059 NZ LYS A 65 5.486 52.236 11.647 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.757 45.967 12.000 1.00 0.00 H new ATOM 0 HA LYS A 65 2.823 46.721 11.615 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.559 48.941 11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.064 49.240 13.148 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.445 49.075 12.512 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.019 48.580 10.886 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.867 50.784 10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.300 51.278 12.144 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.690 50.286 10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.913 51.441 9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.417 52.544 11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.819 53.032 11.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.571 51.913 12.632 1.00 0.00 H new ATOM 1073 N SER A 66 2.710 46.115 14.635 1.00 0.00 N ATOM 1074 CA SER A 66 3.443 45.740 15.841 1.00 0.00 C ATOM 1075 C SER A 66 4.289 44.492 15.594 1.00 0.00 C ATOM 1076 O SER A 66 4.064 43.761 14.632 1.00 0.00 O ATOM 1077 CB SER A 66 2.462 45.485 16.980 1.00 0.00 C ATOM 1078 OG SER A 66 1.624 44.391 16.635 1.00 0.00 O ATOM 0 H SER A 66 1.767 45.730 14.575 1.00 0.00 H new ATOM 0 HA SER A 66 4.109 46.559 16.112 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.003 45.268 17.901 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.861 46.375 17.165 1.00 0.00 H new ATOM 0 HG SER A 66 0.707 44.577 16.927 1.00 0.00 H new ATOM 1084 N LYS A 67 5.274 44.259 16.460 1.00 0.00 N ATOM 1085 CA LYS A 67 6.151 43.100 16.307 1.00 0.00 C ATOM 1086 C LYS A 67 5.670 41.892 17.112 1.00 0.00 C ATOM 1087 O LYS A 67 5.308 40.866 16.543 1.00 0.00 O ATOM 1088 CB LYS A 67 7.581 43.453 16.730 1.00 0.00 C ATOM 1089 CG LYS A 67 8.450 42.196 16.629 1.00 0.00 C ATOM 1090 CD LYS A 67 9.929 42.558 16.808 1.00 0.00 C ATOM 1091 CE LYS A 67 10.803 41.366 16.395 1.00 0.00 C ATOM 1092 NZ LYS A 67 12.218 41.626 16.786 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.483 44.849 17.265 1.00 0.00 H new ATOM 0 HA LYS A 67 6.129 42.828 15.252 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.980 44.240 16.091 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.589 43.836 17.750 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.150 41.476 17.390 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.300 41.718 15.661 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.176 43.430 16.203 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.126 42.824 17.847 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.444 40.455 16.874 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.735 41.208 15.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.810 40.818 16.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.558 42.486 16.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.275 41.756 17.816 1.00 0.00 H new ATOM 1106 N GLU A 68 5.700 42.008 18.435 1.00 0.00 N ATOM 1107 CA GLU A 68 5.302 40.902 19.307 1.00 0.00 C ATOM 1108 C GLU A 68 3.853 40.473 19.090 1.00 0.00 C ATOM 1109 O GLU A 68 3.553 39.279 19.034 1.00 0.00 O ATOM 1110 CB GLU A 68 5.472 41.325 20.768 1.00 0.00 C ATOM 1111 CG GLU A 68 5.095 40.162 21.689 1.00 0.00 C ATOM 1112 CD GLU A 68 5.107 40.627 23.140 1.00 0.00 C ATOM 1113 OE1 GLU A 68 5.753 41.623 23.417 1.00 0.00 O ATOM 1114 OE2 GLU A 68 4.458 39.988 23.953 1.00 0.00 O1- ATOM 0 H GLU A 68 5.994 42.851 18.928 1.00 0.00 H new ATOM 0 HA GLU A 68 5.941 40.054 19.062 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.503 41.627 20.951 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.843 42.189 20.982 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.107 39.784 21.427 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.797 39.339 21.556 1.00 0.00 H new ATOM 1121 N ASP A 69 2.956 41.442 19.003 1.00 0.00 N ATOM 1122 CA ASP A 69 1.540 41.130 18.833 1.00 0.00 C ATOM 1123 C ASP A 69 1.297 40.341 17.552 1.00 0.00 C ATOM 1124 O ASP A 69 0.563 39.351 17.551 1.00 0.00 O ATOM 1125 CB ASP A 69 0.721 42.414 18.800 1.00 0.00 C ATOM 1126 CG ASP A 69 -0.717 42.120 19.203 1.00 0.00 C ATOM 1127 OD1 ASP A 69 -0.951 41.053 19.748 1.00 0.00 O ATOM 1128 OD2 ASP A 69 -1.565 42.961 18.955 1.00 0.00 O1- ATOM 0 H ASP A 69 3.175 42.437 19.046 1.00 0.00 H new ATOM 0 HA ASP A 69 1.230 40.518 19.680 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.155 43.150 19.477 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.747 42.847 17.800 1.00 0.00 H new ATOM 1133 N ILE A 70 1.911 40.777 16.463 1.00 0.00 N ATOM 1134 CA ILE A 70 1.743 40.088 15.192 1.00 0.00 C ATOM 1135 C ILE A 70 2.198 38.639 15.312 1.00 0.00 C ATOM 1136 O ILE A 70 1.548 37.732 14.798 1.00 0.00 O ATOM 1137 CB ILE A 70 2.530 40.806 14.097 1.00 0.00 C ATOM 1138 CG1 ILE A 70 1.934 42.198 13.884 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.447 40.007 12.797 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.699 42.919 12.776 1.00 0.00 C ATOM 0 H ILE A 70 2.522 41.593 16.432 1.00 0.00 H new ATOM 0 HA ILE A 70 0.686 40.097 14.924 1.00 0.00 H new ATOM 0 HB ILE A 70 3.575 40.896 14.395 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.880 42.117 13.618 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.986 42.772 14.809 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.009 40.521 12.017 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.868 39.014 12.953 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.405 39.915 12.492 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.273 43.911 12.626 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.747 43.014 13.060 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.624 42.348 11.851 1.00 0.00 H new ATOM 1152 N LEU A 71 3.309 38.430 16.008 1.00 0.00 N ATOM 1153 CA LEU A 71 3.830 37.084 16.200 1.00 0.00 C ATOM 1154 C LEU A 71 2.778 36.189 16.840 1.00 0.00 C ATOM 1155 O LEU A 71 2.622 35.028 16.463 1.00 0.00 O ATOM 1156 CB LEU A 71 5.064 37.137 17.099 1.00 0.00 C ATOM 1157 CG LEU A 71 6.201 37.841 16.359 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.418 37.958 17.277 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.578 37.028 15.120 1.00 0.00 C ATOM 0 H LEU A 71 3.861 39.168 16.445 1.00 0.00 H new ATOM 0 HA LEU A 71 4.098 36.672 15.227 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.832 37.668 18.022 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.367 36.128 17.379 1.00 0.00 H new ATOM 0 HG LEU A 71 5.876 38.838 16.060 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.227 38.460 16.747 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.152 38.535 18.163 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.744 36.962 17.577 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.389 37.528 14.590 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.902 36.032 15.423 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.712 36.944 14.463 1.00 0.00 H new ATOM 1171 N HIS A 72 2.061 36.742 17.807 1.00 0.00 N ATOM 1172 CA HIS A 72 1.023 35.987 18.499 1.00 0.00 C ATOM 1173 C HIS A 72 -0.085 35.566 17.537 1.00 0.00 C ATOM 1174 O HIS A 72 -0.533 34.418 17.556 1.00 0.00 O ATOM 1175 CB HIS A 72 0.426 36.840 19.619 1.00 0.00 C ATOM 1176 CG HIS A 72 0.056 35.950 20.769 1.00 0.00 C ATOM 1177 ND1 HIS A 72 0.965 35.608 21.756 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -1.115 35.313 21.096 1.00 0.00 C ATOM 1179 CE1 HIS A 72 0.334 34.797 22.624 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -0.937 34.584 22.269 1.00 0.00 N ATOM 0 H HIS A 72 2.176 37.703 18.130 1.00 0.00 H new ATOM 0 HA HIS A 72 1.477 35.089 18.917 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.145 37.593 19.942 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.453 37.373 19.258 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.033 35.369 20.530 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.798 34.370 23.501 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.628 34.011 22.753 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.529 36.505 16.705 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.600 36.226 15.747 1.00 0.00 C ATOM 1191 C LYS A 73 -1.179 35.163 14.737 1.00 0.00 C ATOM 1192 O LYS A 73 -1.881 34.171 14.544 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.995 37.506 15.006 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.338 38.614 16.012 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.484 38.169 16.926 1.00 0.00 C ATOM 1196 CE LYS A 73 -4.660 37.668 16.081 1.00 0.00 C ATOM 1197 NZ LYS A 73 -4.777 38.502 14.851 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.169 37.459 16.673 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.455 35.850 16.308 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.177 37.829 14.362 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.852 37.312 14.361 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.460 38.855 16.611 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.620 39.522 15.480 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.142 37.379 17.594 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.804 39.001 17.554 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.509 36.623 15.812 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.584 37.719 16.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.776 38.739 14.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.229 39.378 14.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.408 37.972 14.036 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.043 35.370 14.085 1.00 0.00 N ATOM 1212 CA LEU A 74 0.419 34.407 13.098 1.00 0.00 C ATOM 1213 C LEU A 74 0.564 33.030 13.731 1.00 0.00 C ATOM 1214 O LEU A 74 0.199 32.023 13.130 1.00 0.00 O ATOM 1215 CB LEU A 74 1.766 34.834 12.514 1.00 0.00 C ATOM 1216 CG LEU A 74 1.568 35.874 11.403 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.694 37.029 11.896 1.00 0.00 C ATOM 1218 CD2 LEU A 74 2.938 36.417 10.985 1.00 0.00 C ATOM 0 H LEU A 74 0.564 36.179 14.218 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.320 34.365 12.298 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.394 35.250 13.301 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.288 33.964 12.116 1.00 0.00 H new ATOM 0 HG LEU A 74 1.072 35.401 10.555 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.565 37.756 11.094 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.281 36.645 12.197 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.174 37.510 12.748 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.810 37.157 10.195 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.423 36.882 11.844 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.557 35.598 10.618 1.00 0.00 H new ATOM 1230 N ASN A 75 1.091 32.987 14.950 1.00 0.00 N ATOM 1231 CA ASN A 75 1.271 31.716 15.640 1.00 0.00 C ATOM 1232 C ASN A 75 -0.051 30.964 15.724 1.00 0.00 C ATOM 1233 O ASN A 75 -0.112 29.760 15.478 1.00 0.00 O ATOM 1234 CB ASN A 75 1.801 31.964 17.054 1.00 0.00 C ATOM 1235 CG ASN A 75 3.145 32.680 16.998 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.863 32.585 16.003 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.528 33.395 18.019 1.00 0.00 N ATOM 0 H ASN A 75 1.397 33.806 15.475 1.00 0.00 H new ATOM 0 HA ASN A 75 1.987 31.116 15.079 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.086 32.563 17.618 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.908 31.016 17.581 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.426 33.878 17.995 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.930 33.471 18.842 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.111 31.684 16.077 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.431 31.072 16.195 1.00 0.00 C ATOM 1246 C GLU A 76 -2.972 30.668 14.827 1.00 0.00 C ATOM 1247 O GLU A 76 -3.582 29.608 14.679 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.400 32.040 16.873 1.00 0.00 C ATOM 1249 CG GLU A 76 -4.714 31.318 17.165 1.00 0.00 C ATOM 1250 CD GLU A 76 -5.618 32.206 18.012 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.407 33.407 18.009 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -6.510 31.672 18.650 1.00 0.00 O ATOM 0 H GLU A 76 -1.084 32.682 16.285 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.335 30.173 16.804 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.966 32.418 17.799 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.580 32.902 16.230 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.214 31.062 16.231 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.516 30.382 17.688 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.730 31.502 13.817 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.190 31.181 12.473 1.00 0.00 C ATOM 1261 C GLN A 77 -2.365 30.024 11.932 1.00 0.00 C ATOM 1262 O GLN A 77 -2.876 29.139 11.243 1.00 0.00 O ATOM 1263 CB GLN A 77 -3.072 32.395 11.546 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.706 32.060 10.192 1.00 0.00 C ATOM 1265 CD GLN A 77 -5.199 31.806 10.365 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -5.940 32.696 10.783 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -5.687 30.633 10.066 1.00 0.00 N ATOM 0 H GLN A 77 -2.229 32.386 13.902 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.242 30.898 12.516 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.570 33.257 11.991 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.024 32.666 11.413 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.547 32.881 9.493 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.226 31.180 9.764 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.071 29.897 9.720 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.684 30.452 10.178 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.081 30.042 12.271 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.165 28.995 11.850 1.00 0.00 C ATOM 1278 C TRP A 78 -0.660 27.640 12.351 1.00 0.00 C ATOM 1279 O TRP A 78 -0.647 26.650 11.619 1.00 0.00 O ATOM 1280 CB TRP A 78 1.227 29.283 12.422 1.00 0.00 C ATOM 1281 CG TRP A 78 2.270 28.612 11.590 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.282 27.300 11.264 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.461 29.199 10.987 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.399 27.046 10.489 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.156 28.182 10.292 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.997 30.500 10.966 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.343 28.443 9.609 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 5.191 30.767 10.279 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.864 29.739 9.602 1.00 0.00 C ATOM 0 H TRP A 78 -0.652 30.774 12.838 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.115 28.972 10.761 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.404 30.358 12.445 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.287 28.928 13.451 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.542 26.571 11.560 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.635 26.129 10.109 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.486 31.299 11.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.857 27.648 9.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.594 31.769 10.271 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.784 29.949 9.076 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.093 27.608 13.611 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.587 26.372 14.215 1.00 0.00 C ATOM 1302 C ASN A 79 -2.863 25.898 13.525 1.00 0.00 C ATOM 1303 O ASN A 79 -3.069 24.697 13.345 1.00 0.00 O ATOM 1304 CB ASN A 79 -1.843 26.592 15.704 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.552 27.043 16.377 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.543 27.123 15.670 1.00 0.00 O flip ATOM 1307 ND2 ASN A 79 -0.540 27.332 17.574 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.112 28.419 14.230 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.829 25.599 14.090 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.621 27.343 15.844 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.203 25.671 16.163 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.397 27.268 18.123 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.327 27.635 18.017 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.716 26.837 13.126 1.00 0.00 N ATOM 1315 CA LYS A 80 -4.953 26.477 12.442 1.00 0.00 C ATOM 1316 C LYS A 80 -4.653 26.162 10.982 1.00 0.00 C ATOM 1317 O LYS A 80 -4.647 24.999 10.577 1.00 0.00 O ATOM 1318 CB LYS A 80 -5.975 27.615 12.541 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.467 27.728 13.986 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.580 28.776 14.075 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.878 29.078 15.545 1.00 0.00 C ATOM 1322 NZ LYS A 80 -6.598 29.330 16.260 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.577 27.838 13.262 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.379 25.595 12.921 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.522 28.555 12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.815 27.424 11.873 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.836 26.762 14.331 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.641 28.005 14.640 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.278 29.688 13.559 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.479 28.411 13.578 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.531 29.947 15.625 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.405 28.240 16.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.749 30.045 17.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.264 28.446 16.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.886 29.675 15.585 1.00 0.00 H new ATOM 1336 N ASP A 81 -4.382 27.199 10.202 1.00 0.00 N ATOM 1337 CA ASP A 81 -4.055 27.017 8.793 1.00 0.00 C ATOM 1338 C ASP A 81 -4.894 25.896 8.184 1.00 0.00 C ATOM 1339 O ASP A 81 -5.973 26.188 7.696 1.00 0.00 O ATOM 1340 CB ASP A 81 -2.569 26.674 8.660 1.00 0.00 C ATOM 1341 CG ASP A 81 -2.012 27.223 7.351 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -2.389 28.324 6.983 1.00 0.00 O ATOM 1343 OD2 ASP A 81 -1.207 26.537 6.739 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -4.445 24.763 8.217 1.00 0.00 O ATOM 0 H ASP A 81 -4.382 28.169 10.517 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.274 27.942 8.259 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.016 27.092 9.501 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.434 25.593 8.695 1.00 0.00 H new TER 1349 ASP A 81