USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 642 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 46 THR OG1 : rot 180:sc= -0.206 USER MOD Set 1.2: A 50 GLN : amide:sc= -11! C(o=-11!,f=-17!) USER MOD Set 2.1: A 21 ASN : amide:sc= -2.38 K(o=-2.4,f=0.0077) USER MOD Set 2.2: A 24 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A -1 THR OG1 : rot 180:sc= -0.0163 USER MOD Set 3.2: A -2 MET CE :methyl -177:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.623 K(o=-0.62,f=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.686! X(o=-0.69!,f=-0.94) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A -5 SER N :NH3+ -114:sc= 0.132 (180deg=0) USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= -0.179 (180deg=-0.857) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 158:sc= -17.4! (180deg=-20.4!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 6:sc= 1.09 USER MOD Single : A 30 GLN : amide:sc= 0.985 K(o=0.99,f=-0.11) USER MOD Single : A 35 GLN : amide:sc= -0.0742 X(o=-0.074,f=-0.074) USER MOD Single : A 36 MET CE :methyl 156:sc= -0.112 (180deg=-0.564) USER MOD Single : A 37 ASN : amide:sc= -0.0938 K(o=-0.094,f=-0.65) USER MOD Single : A 38 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.824) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.0128 K(o=-0.013,f=-1.3) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -10.3! C(o=-10!,f=-11!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -5 6.877 -12.113 -19.065 1.00 0.00 N ATOM 2 CA SER A -5 7.409 -13.442 -18.789 1.00 0.00 C ATOM 3 C SER A -5 6.305 -14.381 -18.311 1.00 0.00 C ATOM 4 O SER A -5 5.171 -13.958 -18.082 1.00 0.00 O ATOM 5 CB SER A -5 8.517 -13.363 -17.737 1.00 0.00 C ATOM 6 OG SER A -5 9.772 -13.095 -18.338 1.00 0.00 O ATOM 0 H1 SER A -5 6.952 -11.913 -20.083 1.00 0.00 H new ATOM 0 H2 SER A -5 5.878 -12.072 -18.777 1.00 0.00 H new ATOM 0 H3 SER A -5 7.420 -11.404 -18.532 1.00 0.00 H new ATOM 0 HA SER A -5 7.825 -13.839 -19.715 1.00 0.00 H new ATOM 0 HB2 SER A -5 8.282 -12.581 -17.015 1.00 0.00 H new ATOM 0 HB3 SER A -5 8.567 -14.302 -17.186 1.00 0.00 H new ATOM 0 HG SER A -5 10.463 -13.048 -17.645 1.00 0.00 H new ATOM 12 N ASP A -4 6.645 -15.656 -18.162 1.00 0.00 N ATOM 13 CA ASP A -4 5.684 -16.656 -17.711 1.00 0.00 C ATOM 14 C ASP A -4 5.182 -16.333 -16.307 1.00 0.00 C ATOM 15 O ASP A -4 5.854 -15.642 -15.540 1.00 0.00 O ATOM 16 CB ASP A -4 6.317 -18.048 -17.732 1.00 0.00 C ATOM 17 CG ASP A -4 6.179 -18.727 -19.080 1.00 0.00 C ATOM 18 OD1 ASP A -4 6.740 -18.205 -20.066 1.00 0.00 O ATOM 19 OD2 ASP A -4 5.510 -19.779 -19.150 1.00 0.00 O ATOM 0 H ASP A -4 7.579 -16.022 -18.347 1.00 0.00 H new ATOM 0 HA ASP A -4 4.834 -16.641 -18.393 1.00 0.00 H new ATOM 0 HB2 ASP A -4 7.373 -17.967 -17.476 1.00 0.00 H new ATOM 0 HB3 ASP A -4 5.850 -18.668 -16.967 1.00 0.00 H new ATOM 24 N HIS A -3 3.997 -16.836 -15.977 1.00 0.00 N ATOM 25 CA HIS A -3 3.405 -16.600 -14.665 1.00 0.00 C ATOM 26 C HIS A -3 3.559 -17.827 -13.771 1.00 0.00 C ATOM 27 O HIS A -3 2.780 -18.775 -13.863 1.00 0.00 O ATOM 28 CB HIS A -3 1.926 -16.240 -14.807 1.00 0.00 C ATOM 29 CG HIS A -3 1.652 -15.246 -15.894 1.00 0.00 C ATOM 30 ND1 HIS A -3 0.885 -15.535 -17.002 1.00 0.00 N ATOM 31 CD2 HIS A -3 2.048 -13.960 -16.036 1.00 0.00 C ATOM 32 CE1 HIS A -3 0.822 -14.469 -17.781 1.00 0.00 C ATOM 33 NE2 HIS A -3 1.519 -13.499 -17.217 1.00 0.00 N ATOM 0 H HIS A -3 3.428 -17.409 -16.600 1.00 0.00 H new ATOM 0 HA HIS A -3 3.931 -15.766 -14.201 1.00 0.00 H new ATOM 0 HB2 HIS A -3 1.357 -17.148 -15.005 1.00 0.00 H new ATOM 0 HB3 HIS A -3 1.566 -15.838 -13.860 1.00 0.00 H new ATOM 0 HD2 HIS A -3 2.665 -13.400 -15.349 1.00 0.00 H new ATOM 0 HE1 HIS A -3 0.291 -14.402 -18.719 1.00 0.00 H new ATOM 0 HE2 HIS A -3 1.644 -12.561 -17.597 1.00 0.00 H new ATOM 42 N MET A -2 4.569 -17.801 -12.907 1.00 0.00 N ATOM 43 CA MET A -2 4.824 -18.911 -11.997 1.00 0.00 C ATOM 44 C MET A -2 4.594 -18.490 -10.549 1.00 0.00 C ATOM 45 O MET A -2 3.805 -19.104 -9.830 1.00 0.00 O ATOM 46 CB MET A -2 6.255 -19.422 -12.171 1.00 0.00 C ATOM 47 CG MET A -2 6.651 -20.479 -11.152 1.00 0.00 C ATOM 48 SD MET A -2 5.470 -21.838 -11.067 1.00 0.00 S ATOM 49 CE MET A -2 5.389 -22.106 -9.297 1.00 0.00 C ATOM 0 H MET A -2 5.223 -17.024 -12.818 1.00 0.00 H new ATOM 0 HA MET A -2 4.128 -19.714 -12.238 1.00 0.00 H new ATOM 0 HB2 MET A -2 6.365 -19.836 -13.173 1.00 0.00 H new ATOM 0 HB3 MET A -2 6.944 -18.581 -12.096 1.00 0.00 H new ATOM 0 HG2 MET A -2 7.635 -20.873 -11.407 1.00 0.00 H new ATOM 0 HG3 MET A -2 6.738 -20.016 -10.169 1.00 0.00 H new ATOM 0 HE1 MET A -2 4.737 -22.954 -9.087 1.00 0.00 H new ATOM 0 HE2 MET A -2 6.388 -22.313 -8.914 1.00 0.00 H new ATOM 0 HE3 MET A -2 4.992 -21.214 -8.812 1.00 0.00 H new ATOM 59 N THR A -1 5.289 -17.438 -10.125 1.00 0.00 N ATOM 60 CA THR A -1 5.162 -16.936 -8.763 1.00 0.00 C ATOM 61 C THR A -1 5.379 -15.428 -8.710 1.00 0.00 C ATOM 62 O THR A -1 6.499 -14.947 -8.880 1.00 0.00 O ATOM 63 CB THR A -1 6.164 -17.622 -7.816 1.00 0.00 C ATOM 64 OG1 THR A -1 6.027 -19.044 -7.904 1.00 0.00 O ATOM 65 CG2 THR A -1 5.945 -17.173 -6.379 1.00 0.00 C ATOM 0 H THR A -1 5.946 -16.917 -10.706 1.00 0.00 H new ATOM 0 HA THR A -1 4.148 -17.165 -8.435 1.00 0.00 H new ATOM 0 HB THR A -1 7.171 -17.336 -8.119 1.00 0.00 H new ATOM 0 HG1 THR A -1 6.669 -19.472 -7.300 1.00 0.00 H new ATOM 0 HG21 THR A -1 6.664 -17.671 -5.729 1.00 0.00 H new ATOM 0 HG22 THR A -1 6.080 -16.094 -6.310 1.00 0.00 H new ATOM 0 HG23 THR A -1 4.933 -17.432 -6.067 1.00 0.00 H new ATOM 73 N MET A 1 4.302 -14.687 -8.473 1.00 0.00 N ATOM 74 CA MET A 1 4.376 -13.233 -8.396 1.00 0.00 C ATOM 75 C MET A 1 4.504 -12.771 -6.947 1.00 0.00 C ATOM 76 O MET A 1 3.502 -12.547 -6.267 1.00 0.00 O ATOM 77 CB MET A 1 3.139 -12.603 -9.037 1.00 0.00 C ATOM 78 CG MET A 1 3.046 -12.836 -10.536 1.00 0.00 C ATOM 79 SD MET A 1 2.042 -11.593 -11.372 1.00 0.00 S ATOM 80 CE MET A 1 0.427 -12.364 -11.310 1.00 0.00 C ATOM 0 H MET A 1 3.367 -15.070 -8.331 1.00 0.00 H new ATOM 0 HA MET A 1 5.263 -12.910 -8.942 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.247 -13.007 -8.559 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.146 -11.530 -8.844 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.049 -12.834 -10.963 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.623 -13.823 -10.721 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.305 -11.714 -11.789 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.460 -13.320 -11.832 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.142 -12.528 -10.271 1.00 0.00 H new ATOM 90 N SER A 2 5.741 -12.632 -6.482 1.00 0.00 N ATOM 91 CA SER A 2 5.998 -12.201 -5.113 1.00 0.00 C ATOM 92 C SER A 2 5.311 -10.870 -4.824 1.00 0.00 C ATOM 93 O SER A 2 5.305 -9.966 -5.661 1.00 0.00 O ATOM 94 CB SER A 2 7.503 -12.074 -4.870 1.00 0.00 C ATOM 95 OG SER A 2 8.091 -13.342 -4.639 1.00 0.00 O ATOM 0 H SER A 2 6.581 -12.811 -7.033 1.00 0.00 H new ATOM 0 HA SER A 2 5.590 -12.954 -4.439 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.975 -11.602 -5.732 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.683 -11.425 -4.013 1.00 0.00 H new ATOM 0 HG SER A 2 9.053 -13.234 -4.488 1.00 0.00 H new ATOM 101 N LEU A 3 4.733 -10.756 -3.633 1.00 0.00 N ATOM 102 CA LEU A 3 4.042 -9.535 -3.232 1.00 0.00 C ATOM 103 C LEU A 3 5.016 -8.365 -3.134 1.00 0.00 C ATOM 104 O LEU A 3 4.611 -7.204 -3.169 1.00 0.00 O ATOM 105 CB LEU A 3 3.339 -9.742 -1.890 1.00 0.00 C ATOM 106 CG LEU A 3 2.332 -8.664 -1.487 1.00 0.00 C ATOM 107 CD1 LEU A 3 1.141 -8.665 -2.433 1.00 0.00 C ATOM 108 CD2 LEU A 3 1.874 -8.872 -0.050 1.00 0.00 C ATOM 0 H LEU A 3 4.729 -11.494 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 3 3.298 -9.301 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.823 -10.702 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.099 -9.811 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 3 2.822 -7.693 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.435 -7.891 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.483 -8.467 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.650 -9.638 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.158 -8.096 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.402 -9.850 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.734 -8.819 0.617 1.00 0.00 H new ATOM 120 N GLN A 4 6.302 -8.681 -3.012 1.00 0.00 N ATOM 121 CA GLN A 4 7.333 -7.655 -2.910 1.00 0.00 C ATOM 122 C GLN A 4 7.251 -6.683 -4.082 1.00 0.00 C ATOM 123 O GLN A 4 7.271 -5.467 -3.894 1.00 0.00 O ATOM 124 CB GLN A 4 8.720 -8.300 -2.863 1.00 0.00 C ATOM 125 CG GLN A 4 8.922 -9.221 -1.672 1.00 0.00 C ATOM 126 CD GLN A 4 9.393 -8.482 -0.435 1.00 0.00 C ATOM 127 OE1 GLN A 4 10.547 -8.608 -0.024 1.00 0.00 O ATOM 128 NE2 GLN A 4 8.500 -7.704 0.166 1.00 0.00 N ATOM 0 H GLN A 4 6.654 -9.638 -2.981 1.00 0.00 H new ATOM 0 HA GLN A 4 7.167 -7.098 -1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.880 -8.866 -3.781 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.476 -7.515 -2.837 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.985 -9.732 -1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.651 -9.989 -1.931 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.554 -7.629 -0.209 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.760 -7.181 1.003 1.00 0.00 H new ATOM 137 N MET A 5 7.160 -7.227 -5.291 1.00 0.00 N ATOM 138 CA MET A 5 7.074 -6.406 -6.494 1.00 0.00 C ATOM 139 C MET A 5 5.974 -5.357 -6.359 1.00 0.00 C ATOM 140 O MET A 5 5.952 -4.370 -7.094 1.00 0.00 O ATOM 141 CB MET A 5 6.810 -7.284 -7.718 1.00 0.00 C ATOM 142 CG MET A 5 6.719 -6.502 -9.019 1.00 0.00 C ATOM 143 SD MET A 5 6.239 -7.533 -10.418 1.00 0.00 S ATOM 144 CE MET A 5 7.840 -8.112 -10.976 1.00 0.00 C ATOM 0 H MET A 5 7.144 -8.232 -5.464 1.00 0.00 H new ATOM 0 HA MET A 5 8.027 -5.893 -6.623 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.606 -8.023 -7.803 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.880 -7.833 -7.568 1.00 0.00 H new ATOM 0 HG2 MET A 5 5.996 -5.695 -8.903 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.683 -6.039 -9.228 1.00 0.00 H new ATOM 0 HE1 MET A 5 7.710 -8.764 -11.840 1.00 0.00 H new ATOM 0 HE2 MET A 5 8.458 -7.259 -11.255 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.327 -8.666 -10.173 1.00 0.00 H new ATOM 154 N ILE A 6 5.064 -5.578 -5.416 1.00 0.00 N ATOM 155 CA ILE A 6 3.963 -4.652 -5.186 1.00 0.00 C ATOM 156 C ILE A 6 4.299 -3.665 -4.072 1.00 0.00 C ATOM 157 O ILE A 6 4.410 -2.462 -4.307 1.00 0.00 O ATOM 158 CB ILE A 6 2.666 -5.398 -4.821 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.487 -6.623 -5.720 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.469 -4.467 -4.939 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.367 -6.282 -7.189 1.00 0.00 C ATOM 0 H ILE A 6 5.068 -6.390 -4.799 1.00 0.00 H new ATOM 0 HA ILE A 6 3.809 -4.107 -6.118 1.00 0.00 H new ATOM 0 HB ILE A 6 2.737 -5.737 -3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.334 -7.294 -5.579 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.595 -7.166 -5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.560 -5.009 -4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.596 -3.623 -4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.392 -4.101 -5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.243 -7.198 -7.766 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.503 -5.636 -7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.269 -5.766 -7.518 1.00 0.00 H new ATOM 173 N VAL A 7 4.461 -4.183 -2.859 1.00 0.00 N ATOM 174 CA VAL A 7 4.788 -3.349 -1.709 1.00 0.00 C ATOM 175 C VAL A 7 6.002 -2.472 -1.993 1.00 0.00 C ATOM 176 O VAL A 7 6.101 -1.351 -1.494 1.00 0.00 O ATOM 177 CB VAL A 7 5.066 -4.202 -0.457 1.00 0.00 C ATOM 178 CG1 VAL A 7 3.768 -4.751 0.114 1.00 0.00 C ATOM 179 CG2 VAL A 7 6.033 -5.329 -0.786 1.00 0.00 C ATOM 0 H VAL A 7 4.371 -5.177 -2.647 1.00 0.00 H new ATOM 0 HA VAL A 7 3.921 -2.715 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 7 5.527 -3.567 0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.984 -5.351 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.113 -3.924 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.275 -5.372 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.219 -5.922 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.601 -5.965 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.973 -4.909 -1.144 1.00 0.00 H new ATOM 189 N GLU A 8 6.924 -2.990 -2.799 1.00 0.00 N ATOM 190 CA GLU A 8 8.133 -2.253 -3.149 1.00 0.00 C ATOM 191 C GLU A 8 7.788 -0.958 -3.879 1.00 0.00 C ATOM 192 O GLU A 8 8.393 0.084 -3.634 1.00 0.00 O ATOM 193 CB GLU A 8 9.048 -3.116 -4.021 1.00 0.00 C ATOM 194 CG GLU A 8 8.651 -3.133 -5.488 1.00 0.00 C ATOM 195 CD GLU A 8 9.709 -3.764 -6.371 1.00 0.00 C ATOM 196 OE1 GLU A 8 10.624 -4.418 -5.827 1.00 0.00 O ATOM 197 OE2 GLU A 8 9.623 -3.604 -7.607 1.00 0.00 O ATOM 0 H GLU A 8 6.857 -3.916 -3.221 1.00 0.00 H new ATOM 0 HA GLU A 8 8.655 -2.001 -2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.071 -2.749 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.042 -4.137 -3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.715 -3.680 -5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.466 -2.112 -5.822 1.00 0.00 H new ATOM 204 N ASN A 9 6.811 -1.034 -4.777 1.00 0.00 N ATOM 205 CA ASN A 9 6.386 0.131 -5.544 1.00 0.00 C ATOM 206 C ASN A 9 6.032 1.291 -4.620 1.00 0.00 C ATOM 207 O ASN A 9 6.222 2.457 -4.968 1.00 0.00 O ATOM 208 CB ASN A 9 5.184 -0.222 -6.423 1.00 0.00 C ATOM 209 CG ASN A 9 5.597 -0.761 -7.779 1.00 0.00 C ATOM 210 OD1 ASN A 9 5.993 -0.005 -8.666 1.00 0.00 O ATOM 211 ND2 ASN A 9 5.506 -2.076 -7.945 1.00 0.00 N ATOM 0 H ASN A 9 6.299 -1.890 -4.991 1.00 0.00 H new ATOM 0 HA ASN A 9 7.215 0.438 -6.181 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.569 -0.963 -5.912 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.565 0.665 -6.561 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.770 -2.497 -8.836 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.172 -2.665 -7.182 1.00 0.00 H new ATOM 218 N VAL A 10 5.516 0.964 -3.439 1.00 0.00 N ATOM 219 CA VAL A 10 5.136 1.978 -2.463 1.00 0.00 C ATOM 220 C VAL A 10 6.309 2.897 -2.141 1.00 0.00 C ATOM 221 O VAL A 10 6.143 4.109 -2.000 1.00 0.00 O ATOM 222 CB VAL A 10 4.625 1.338 -1.158 1.00 0.00 C ATOM 223 CG1 VAL A 10 3.947 2.380 -0.282 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.677 0.188 -1.465 1.00 0.00 C ATOM 0 H VAL A 10 5.352 0.004 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 10 4.332 2.563 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 10 5.479 0.939 -0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.593 1.909 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.660 3.167 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.102 2.812 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.326 -0.253 -0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.825 0.561 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.200 -0.569 -2.049 1.00 0.00 H new ATOM 234 N LYS A 11 7.496 2.313 -2.024 1.00 0.00 N ATOM 235 CA LYS A 11 8.700 3.078 -1.720 1.00 0.00 C ATOM 236 C LYS A 11 8.982 4.105 -2.811 1.00 0.00 C ATOM 237 O LYS A 11 9.539 5.171 -2.546 1.00 0.00 O ATOM 238 CB LYS A 11 9.899 2.140 -1.565 1.00 0.00 C ATOM 239 CG LYS A 11 9.700 1.067 -0.509 1.00 0.00 C ATOM 240 CD LYS A 11 9.304 1.668 0.829 1.00 0.00 C ATOM 241 CE LYS A 11 9.763 0.797 1.989 1.00 0.00 C ATOM 242 NZ LYS A 11 11.245 0.657 2.025 1.00 0.00 N ATOM 0 H LYS A 11 7.651 1.311 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 11 8.537 3.607 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.101 1.662 -2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.780 2.729 -1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.929 0.370 -0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.620 0.494 -0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.739 2.663 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.221 1.788 0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.416 1.230 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.307 -0.189 1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.555 0.496 3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.532 -0.149 1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.685 1.527 1.662 1.00 0.00 H new ATOM 256 N LEU A 12 8.592 3.779 -4.039 1.00 0.00 N ATOM 257 CA LEU A 12 8.802 4.675 -5.171 1.00 0.00 C ATOM 258 C LEU A 12 7.924 5.917 -5.053 1.00 0.00 C ATOM 259 O LEU A 12 8.352 7.025 -5.374 1.00 0.00 O ATOM 260 CB LEU A 12 8.503 3.949 -6.484 1.00 0.00 C ATOM 261 CG LEU A 12 8.791 4.732 -7.765 1.00 0.00 C ATOM 262 CD1 LEU A 12 7.687 5.743 -8.032 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.142 5.427 -7.673 1.00 0.00 C ATOM 0 H LEU A 12 8.129 2.902 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 12 9.846 4.988 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.085 3.027 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.451 3.662 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 12 8.822 4.030 -8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.909 6.291 -8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.736 5.222 -8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.624 6.441 -7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.330 5.979 -8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.139 6.117 -6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.925 4.682 -7.530 1.00 0.00 H new ATOM 275 N ALA A 13 6.694 5.724 -4.587 1.00 0.00 N ATOM 276 CA ALA A 13 5.758 6.828 -4.422 1.00 0.00 C ATOM 277 C ALA A 13 6.176 7.735 -3.269 1.00 0.00 C ATOM 278 O ALA A 13 6.192 8.959 -3.404 1.00 0.00 O ATOM 279 CB ALA A 13 4.350 6.297 -4.193 1.00 0.00 C ATOM 0 H ALA A 13 6.323 4.813 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 13 5.768 7.419 -5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.661 7.133 -4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.044 5.696 -5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.335 5.681 -3.294 1.00 0.00 H new ATOM 285 N ARG A 14 6.513 7.128 -2.136 1.00 0.00 N ATOM 286 CA ARG A 14 6.930 7.881 -0.960 1.00 0.00 C ATOM 287 C ARG A 14 8.054 8.853 -1.307 1.00 0.00 C ATOM 288 O ARG A 14 8.026 10.017 -0.907 1.00 0.00 O ATOM 289 CB ARG A 14 7.388 6.929 0.146 1.00 0.00 C ATOM 290 CG ARG A 14 7.517 7.593 1.507 1.00 0.00 C ATOM 291 CD ARG A 14 7.428 6.576 2.634 1.00 0.00 C ATOM 292 NE ARG A 14 7.353 7.216 3.945 1.00 0.00 N ATOM 293 CZ ARG A 14 7.141 6.553 5.076 1.00 0.00 C ATOM 294 NH1 ARG A 14 6.983 5.237 5.056 1.00 0.00 N ATOM 295 NH2 ARG A 14 7.086 7.206 6.229 1.00 0.00 N ATOM 0 H ARG A 14 6.505 6.116 -2.008 1.00 0.00 H new ATOM 0 HA ARG A 14 6.074 8.454 -0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.680 6.104 0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.350 6.499 -0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.469 8.121 1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.731 8.338 1.625 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.550 5.948 2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.298 5.920 2.600 1.00 0.00 H new ATOM 0 HE ARG A 14 7.470 8.228 3.994 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.024 4.732 4.171 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.820 4.730 5.926 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.207 8.219 6.248 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.923 6.696 7.097 1.00 0.00 H new ATOM 309 N GLU A 15 9.041 8.367 -2.052 1.00 0.00 N ATOM 310 CA GLU A 15 10.175 9.193 -2.451 1.00 0.00 C ATOM 311 C GLU A 15 9.711 10.394 -3.269 1.00 0.00 C ATOM 312 O GLU A 15 10.284 11.480 -3.177 1.00 0.00 O ATOM 313 CB GLU A 15 11.176 8.366 -3.261 1.00 0.00 C ATOM 314 CG GLU A 15 12.534 9.032 -3.411 1.00 0.00 C ATOM 315 CD GLU A 15 13.653 8.032 -3.630 1.00 0.00 C ATOM 316 OE1 GLU A 15 13.441 7.063 -4.389 1.00 0.00 O ATOM 317 OE2 GLU A 15 14.739 8.219 -3.044 1.00 0.00 O ATOM 0 H GLU A 15 9.079 7.406 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 15 10.663 9.558 -1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.307 7.397 -2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.762 8.177 -4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.503 9.727 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.747 9.620 -2.518 1.00 0.00 H new ATOM 324 N TYR A 16 8.671 10.191 -4.070 1.00 0.00 N ATOM 325 CA TYR A 16 8.131 11.256 -4.907 1.00 0.00 C ATOM 326 C TYR A 16 7.411 12.302 -4.061 1.00 0.00 C ATOM 327 O TYR A 16 7.385 13.484 -4.404 1.00 0.00 O ATOM 328 CB TYR A 16 7.173 10.678 -5.949 1.00 0.00 C ATOM 329 CG TYR A 16 7.872 9.985 -7.097 1.00 0.00 C ATOM 330 CD1 TYR A 16 8.943 9.130 -6.869 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.461 10.184 -8.409 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.585 8.495 -7.914 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.096 9.552 -9.460 1.00 0.00 C ATOM 334 CZ TYR A 16 9.158 8.709 -9.208 1.00 0.00 C ATOM 335 OH TYR A 16 9.794 8.078 -10.252 1.00 0.00 O ATOM 0 H TYR A 16 8.185 9.299 -4.157 1.00 0.00 H new ATOM 0 HA TYR A 16 8.964 11.740 -5.418 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.504 9.969 -5.461 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.552 11.482 -6.345 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.279 8.959 -5.857 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.631 10.844 -8.611 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.417 7.834 -7.719 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.763 9.717 -10.474 1.00 0.00 H new ATOM 0 HH TYR A 16 9.370 8.335 -11.097 1.00 0.00 H new ATOM 345 N ALA A 17 6.827 11.857 -2.953 1.00 0.00 N ATOM 346 CA ALA A 17 6.108 12.753 -2.056 1.00 0.00 C ATOM 347 C ALA A 17 7.066 13.705 -1.348 1.00 0.00 C ATOM 348 O ALA A 17 6.782 14.896 -1.205 1.00 0.00 O ATOM 349 CB ALA A 17 5.309 11.952 -1.039 1.00 0.00 C ATOM 0 H ALA A 17 6.838 10.881 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 17 5.419 13.350 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.777 12.634 -0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.591 11.317 -1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.986 11.330 -0.453 1.00 0.00 H new ATOM 355 N LEU A 18 8.200 13.175 -0.905 1.00 0.00 N ATOM 356 CA LEU A 18 9.200 13.978 -0.210 1.00 0.00 C ATOM 357 C LEU A 18 9.815 15.012 -1.147 1.00 0.00 C ATOM 358 O LEU A 18 9.829 16.207 -0.848 1.00 0.00 O ATOM 359 CB LEU A 18 10.296 13.078 0.365 1.00 0.00 C ATOM 360 CG LEU A 18 9.819 11.819 1.090 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.970 11.167 1.840 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.680 12.152 2.043 1.00 0.00 C ATOM 0 H LEU A 18 8.450 12.192 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 18 8.705 14.504 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.955 12.777 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.896 13.667 1.059 1.00 0.00 H new ATOM 0 HG LEU A 18 9.450 11.112 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.612 10.273 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.755 10.893 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.369 11.867 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.353 11.244 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.023 12.877 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.847 12.574 1.481 1.00 0.00 H new ATOM 374 N LEU A 19 10.321 14.546 -2.284 1.00 0.00 N ATOM 375 CA LEU A 19 10.935 15.431 -3.267 1.00 0.00 C ATOM 376 C LEU A 19 10.011 16.597 -3.604 1.00 0.00 C ATOM 377 O LEU A 19 10.460 17.731 -3.767 1.00 0.00 O ATOM 378 CB LEU A 19 11.277 14.653 -4.540 1.00 0.00 C ATOM 379 CG LEU A 19 12.667 14.019 -4.586 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.902 13.157 -3.355 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.837 13.196 -5.855 1.00 0.00 C ATOM 0 H LEU A 19 10.318 13.561 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 19 11.852 15.831 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.536 13.865 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.179 15.327 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 19 13.409 14.818 -4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.897 12.714 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.824 13.773 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.154 12.365 -3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.833 12.752 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.087 12.405 -5.879 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.713 13.840 -6.726 1.00 0.00 H new ATOM 393 N GLY A 20 8.717 16.310 -3.703 1.00 0.00 N ATOM 394 CA GLY A 20 7.750 17.346 -4.017 1.00 0.00 C ATOM 395 C GLY A 20 6.666 16.861 -4.959 1.00 0.00 C ATOM 396 O GLY A 20 5.688 17.564 -5.205 1.00 0.00 O ATOM 0 H GLY A 20 8.321 15.379 -3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.292 17.703 -3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.265 18.195 -4.467 1.00 0.00 H new ATOM 400 N ASN A 21 6.842 15.655 -5.489 1.00 0.00 N ATOM 401 CA ASN A 21 5.872 15.077 -6.413 1.00 0.00 C ATOM 402 C ASN A 21 4.904 14.154 -5.678 1.00 0.00 C ATOM 403 O ASN A 21 5.121 12.944 -5.602 1.00 0.00 O ATOM 404 CB ASN A 21 6.589 14.304 -7.521 1.00 0.00 C ATOM 405 CG ASN A 21 5.809 14.302 -8.822 1.00 0.00 C ATOM 406 OD1 ASN A 21 6.390 14.311 -9.907 1.00 0.00 O ATOM 407 ND2 ASN A 21 4.485 14.289 -8.718 1.00 0.00 N ATOM 0 H ASN A 21 7.647 15.059 -5.295 1.00 0.00 H new ATOM 0 HA ASN A 21 5.302 15.892 -6.859 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.572 14.744 -7.690 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.752 13.276 -7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.907 14.286 -9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.046 14.282 -7.797 1.00 0.00 H new ATOM 414 N TYR A 22 3.837 14.733 -5.139 1.00 0.00 N ATOM 415 CA TYR A 22 2.837 13.963 -4.408 1.00 0.00 C ATOM 416 C TYR A 22 1.791 13.389 -5.359 1.00 0.00 C ATOM 417 O TYR A 22 1.318 12.267 -5.175 1.00 0.00 O ATOM 418 CB TYR A 22 2.159 14.839 -3.354 1.00 0.00 C ATOM 419 CG TYR A 22 3.107 15.785 -2.652 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.510 16.970 -3.255 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.600 15.494 -1.386 1.00 0.00 C ATOM 422 CE1 TYR A 22 4.377 17.837 -2.618 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.466 16.356 -0.741 1.00 0.00 C ATOM 424 CZ TYR A 22 4.851 17.526 -1.361 1.00 0.00 C ATOM 425 OH TYR A 22 5.715 18.386 -0.723 1.00 0.00 O ATOM 0 H TYR A 22 3.642 15.733 -5.194 1.00 0.00 H new ATOM 0 HA TYR A 22 3.343 13.135 -3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.367 15.418 -3.830 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.683 14.198 -2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.139 17.218 -4.239 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.301 14.578 -0.898 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.682 18.753 -3.102 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.839 16.115 0.243 1.00 0.00 H new ATOM 0 HH TYR A 22 5.953 18.020 0.154 1.00 0.00 H new ATOM 435 N ASP A 23 1.434 14.167 -6.374 1.00 0.00 N ATOM 436 CA ASP A 23 0.444 13.738 -7.356 1.00 0.00 C ATOM 437 C ASP A 23 0.820 12.384 -7.950 1.00 0.00 C ATOM 438 O ASP A 23 -0.045 11.550 -8.216 1.00 0.00 O ATOM 439 CB ASP A 23 0.314 14.778 -8.469 1.00 0.00 C ATOM 440 CG ASP A 23 -0.996 14.658 -9.223 1.00 0.00 C ATOM 441 OD1 ASP A 23 -1.988 15.285 -8.793 1.00 0.00 O ATOM 442 OD2 ASP A 23 -1.030 13.938 -10.242 1.00 0.00 O ATOM 0 H ASP A 23 1.815 15.099 -6.539 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.516 13.639 -6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.393 15.777 -8.040 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.143 14.665 -9.167 1.00 0.00 H new ATOM 447 N SER A 24 2.117 12.173 -8.156 1.00 0.00 N ATOM 448 CA SER A 24 2.607 10.922 -8.723 1.00 0.00 C ATOM 449 C SER A 24 2.567 9.803 -7.687 1.00 0.00 C ATOM 450 O SER A 24 2.389 8.634 -8.026 1.00 0.00 O ATOM 451 CB SER A 24 4.034 11.099 -9.245 1.00 0.00 C ATOM 452 OG SER A 24 4.036 11.651 -10.550 1.00 0.00 O ATOM 0 H SER A 24 2.846 12.852 -7.939 1.00 0.00 H new ATOM 0 HA SER A 24 1.955 10.648 -9.553 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.593 11.749 -8.571 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.543 10.135 -9.254 1.00 0.00 H new ATOM 0 HG SER A 24 4.960 11.755 -10.860 1.00 0.00 H new ATOM 458 N ALA A 25 2.735 10.172 -6.421 1.00 0.00 N ATOM 459 CA ALA A 25 2.717 9.201 -5.334 1.00 0.00 C ATOM 460 C ALA A 25 1.366 8.497 -5.249 1.00 0.00 C ATOM 461 O ALA A 25 1.299 7.274 -5.136 1.00 0.00 O ATOM 462 CB ALA A 25 3.043 9.881 -4.013 1.00 0.00 C ATOM 0 H ALA A 25 2.885 11.136 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 25 3.478 8.448 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.026 9.144 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.034 10.332 -4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.303 10.655 -3.810 1.00 0.00 H new ATOM 468 N MET A 26 0.293 9.279 -5.303 1.00 0.00 N ATOM 469 CA MET A 26 -1.056 8.729 -5.232 1.00 0.00 C ATOM 470 C MET A 26 -1.297 7.733 -6.362 1.00 0.00 C ATOM 471 O MET A 26 -1.994 6.734 -6.184 1.00 0.00 O ATOM 472 CB MET A 26 -2.092 9.854 -5.298 1.00 0.00 C ATOM 473 CG MET A 26 -1.855 10.959 -4.282 1.00 0.00 C ATOM 474 SD MET A 26 -1.475 10.321 -2.639 1.00 0.00 S ATOM 475 CE MET A 26 0.293 10.067 -2.775 1.00 0.00 C ATOM 0 H MET A 26 0.331 10.294 -5.396 1.00 0.00 H new ATOM 0 HA MET A 26 -1.159 8.205 -4.282 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.085 10.285 -6.299 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.085 9.432 -5.139 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.033 11.590 -4.622 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.741 11.592 -4.226 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.737 10.057 -1.779 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.487 9.115 -3.268 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.733 10.875 -3.360 1.00 0.00 H new ATOM 485 N VAL A 27 -0.718 8.013 -7.525 1.00 0.00 N ATOM 486 CA VAL A 27 -0.869 7.141 -8.684 1.00 0.00 C ATOM 487 C VAL A 27 -0.346 5.739 -8.389 1.00 0.00 C ATOM 488 O VAL A 27 -1.012 4.744 -8.676 1.00 0.00 O ATOM 489 CB VAL A 27 -0.129 7.705 -9.912 1.00 0.00 C ATOM 490 CG1 VAL A 27 -0.290 6.776 -11.105 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.633 9.102 -10.241 1.00 0.00 C ATOM 0 H VAL A 27 -0.140 8.837 -7.690 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.935 7.089 -8.904 1.00 0.00 H new ATOM 0 HB VAL A 27 0.933 7.773 -9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.239 7.191 -11.963 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.123 5.797 -10.862 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.348 6.674 -11.346 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.100 9.486 -11.111 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.700 9.062 -10.458 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.460 9.761 -9.390 1.00 0.00 H new ATOM 501 N TYR A 28 0.849 5.669 -7.814 1.00 0.00 N ATOM 502 CA TYR A 28 1.463 4.389 -7.481 1.00 0.00 C ATOM 503 C TYR A 28 0.738 3.724 -6.315 1.00 0.00 C ATOM 504 O TYR A 28 0.430 2.532 -6.359 1.00 0.00 O ATOM 505 CB TYR A 28 2.940 4.582 -7.135 1.00 0.00 C ATOM 506 CG TYR A 28 3.860 4.485 -8.330 1.00 0.00 C ATOM 507 CD1 TYR A 28 3.956 5.526 -9.245 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.635 3.352 -8.544 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.794 5.441 -10.340 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.478 3.258 -9.635 1.00 0.00 C ATOM 511 CZ TYR A 28 5.554 4.305 -10.530 1.00 0.00 C ATOM 512 OH TYR A 28 6.392 4.217 -11.618 1.00 0.00 O ATOM 0 H TYR A 28 1.412 6.483 -7.569 1.00 0.00 H new ATOM 0 HA TYR A 28 1.383 3.739 -8.353 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.070 5.557 -6.665 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.233 3.833 -6.400 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.365 6.418 -9.098 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.578 2.530 -7.845 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.854 6.259 -11.043 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.074 2.370 -9.786 1.00 0.00 H new ATOM 0 HH TYR A 28 6.856 3.354 -11.604 1.00 0.00 H new ATOM 522 N TYR A 29 0.469 4.503 -5.273 1.00 0.00 N ATOM 523 CA TYR A 29 -0.218 3.991 -4.093 1.00 0.00 C ATOM 524 C TYR A 29 -1.545 3.341 -4.474 1.00 0.00 C ATOM 525 O TYR A 29 -1.797 2.182 -4.147 1.00 0.00 O ATOM 526 CB TYR A 29 -0.460 5.118 -3.089 1.00 0.00 C ATOM 527 CG TYR A 29 0.661 5.287 -2.087 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.853 4.363 -1.068 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.526 6.372 -2.160 1.00 0.00 C ATOM 530 CE1 TYR A 29 1.875 4.513 -0.151 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.551 6.530 -1.248 1.00 0.00 C ATOM 532 CZ TYR A 29 2.722 5.598 -0.245 1.00 0.00 C ATOM 533 OH TYR A 29 3.741 5.753 0.666 1.00 0.00 O ATOM 0 H TYR A 29 0.716 5.491 -5.221 1.00 0.00 H new ATOM 0 HA TYR A 29 0.418 3.234 -3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.596 6.054 -3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.389 4.923 -2.553 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.192 3.513 -0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.395 7.104 -2.943 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.010 3.785 0.635 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.215 7.379 -1.319 1.00 0.00 H new ATOM 0 HH TYR A 29 3.782 4.965 1.248 1.00 0.00 H new ATOM 543 N GLN A 30 -2.389 4.097 -5.169 1.00 0.00 N ATOM 544 CA GLN A 30 -3.690 3.596 -5.595 1.00 0.00 C ATOM 545 C GLN A 30 -3.547 2.271 -6.336 1.00 0.00 C ATOM 546 O GLN A 30 -4.388 1.382 -6.208 1.00 0.00 O ATOM 547 CB GLN A 30 -4.387 4.622 -6.491 1.00 0.00 C ATOM 548 CG GLN A 30 -5.749 4.168 -6.989 1.00 0.00 C ATOM 549 CD GLN A 30 -6.688 3.790 -5.861 1.00 0.00 C ATOM 550 OE1 GLN A 30 -7.280 4.654 -5.214 1.00 0.00 O ATOM 551 NE2 GLN A 30 -6.829 2.492 -5.617 1.00 0.00 N ATOM 0 H GLN A 30 -2.195 5.058 -5.449 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.296 3.430 -4.705 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.503 5.555 -5.939 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.749 4.837 -7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.200 4.966 -7.580 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.622 3.313 -7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.319 1.809 -6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.447 2.178 -4.869 1.00 0.00 H new ATOM 560 N GLY A 31 -2.474 2.145 -7.112 1.00 0.00 N ATOM 561 CA GLY A 31 -2.241 0.925 -7.862 1.00 0.00 C ATOM 562 C GLY A 31 -1.788 -0.221 -6.980 1.00 0.00 C ATOM 563 O GLY A 31 -2.345 -1.318 -7.038 1.00 0.00 O ATOM 0 H GLY A 31 -1.763 2.866 -7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.157 0.640 -8.380 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.487 1.111 -8.627 1.00 0.00 H new ATOM 567 N VAL A 32 -0.773 0.031 -6.159 1.00 0.00 N ATOM 568 CA VAL A 32 -0.244 -0.988 -5.261 1.00 0.00 C ATOM 569 C VAL A 32 -1.358 -1.626 -4.438 1.00 0.00 C ATOM 570 O VAL A 32 -1.481 -2.851 -4.383 1.00 0.00 O ATOM 571 CB VAL A 32 0.812 -0.401 -4.306 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.344 -1.477 -3.372 1.00 0.00 C ATOM 573 CG2 VAL A 32 1.945 0.239 -5.094 1.00 0.00 C ATOM 0 H VAL A 32 -0.301 0.933 -6.098 1.00 0.00 H new ATOM 0 HA VAL A 32 0.225 -1.748 -5.886 1.00 0.00 H new ATOM 0 HB VAL A 32 0.339 0.372 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.089 -1.044 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.523 -1.886 -2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.802 -2.274 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.682 0.649 -4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.418 -0.512 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.548 1.040 -5.718 1.00 0.00 H new ATOM 583 N LEU A 33 -2.169 -0.789 -3.800 1.00 0.00 N ATOM 584 CA LEU A 33 -3.274 -1.271 -2.980 1.00 0.00 C ATOM 585 C LEU A 33 -4.202 -2.171 -3.790 1.00 0.00 C ATOM 586 O LEU A 33 -4.565 -3.262 -3.350 1.00 0.00 O ATOM 587 CB LEU A 33 -4.062 -0.092 -2.406 1.00 0.00 C ATOM 588 CG LEU A 33 -3.276 0.869 -1.513 1.00 0.00 C ATOM 589 CD1 LEU A 33 -3.861 2.271 -1.593 1.00 0.00 C ATOM 590 CD2 LEU A 33 -3.268 0.374 -0.075 1.00 0.00 C ATOM 0 H LEU A 33 -2.082 0.227 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.857 -1.855 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.483 0.476 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.901 -0.486 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.247 0.906 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.289 2.941 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.814 2.627 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.900 2.251 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.704 1.070 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.292 0.307 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.802 -0.610 -0.032 1.00 0.00 H new ATOM 602 N ASP A 34 -4.580 -1.707 -4.976 1.00 0.00 N ATOM 603 CA ASP A 34 -5.462 -2.471 -5.850 1.00 0.00 C ATOM 604 C ASP A 34 -4.890 -3.859 -6.122 1.00 0.00 C ATOM 605 O ASP A 34 -5.610 -4.856 -6.079 1.00 0.00 O ATOM 606 CB ASP A 34 -5.678 -1.727 -7.169 1.00 0.00 C ATOM 607 CG ASP A 34 -6.731 -0.643 -7.057 1.00 0.00 C ATOM 608 OD1 ASP A 34 -7.788 -0.903 -6.443 1.00 0.00 O ATOM 609 OD2 ASP A 34 -6.500 0.465 -7.582 1.00 0.00 O ATOM 0 H ASP A 34 -4.289 -0.805 -5.354 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.421 -2.586 -5.345 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.736 -1.282 -7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.974 -2.439 -7.940 1.00 0.00 H new ATOM 614 N GLN A 35 -3.592 -3.913 -6.401 1.00 0.00 N ATOM 615 CA GLN A 35 -2.924 -5.179 -6.682 1.00 0.00 C ATOM 616 C GLN A 35 -2.784 -6.013 -5.413 1.00 0.00 C ATOM 617 O GLN A 35 -2.901 -7.238 -5.448 1.00 0.00 O ATOM 618 CB GLN A 35 -1.545 -4.927 -7.295 1.00 0.00 C ATOM 619 CG GLN A 35 -1.592 -4.130 -8.589 1.00 0.00 C ATOM 620 CD GLN A 35 -2.461 -4.782 -9.646 1.00 0.00 C ATOM 621 OE1 GLN A 35 -3.479 -4.226 -10.059 1.00 0.00 O ATOM 622 NE2 GLN A 35 -2.063 -5.969 -10.090 1.00 0.00 N ATOM 0 H GLN A 35 -2.982 -3.096 -6.439 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.535 -5.733 -7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.927 -4.395 -6.572 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.060 -5.885 -7.485 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.970 -3.129 -8.381 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.580 -4.015 -8.977 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.212 -6.393 -9.720 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.608 -6.456 -10.801 1.00 0.00 H new ATOM 631 N MET A 36 -2.532 -5.342 -4.294 1.00 0.00 N ATOM 632 CA MET A 36 -2.377 -6.023 -3.013 1.00 0.00 C ATOM 633 C MET A 36 -3.589 -6.900 -2.713 1.00 0.00 C ATOM 634 O MET A 36 -3.448 -8.073 -2.374 1.00 0.00 O ATOM 635 CB MET A 36 -2.180 -5.003 -1.890 1.00 0.00 C ATOM 636 CG MET A 36 -0.745 -4.521 -1.752 1.00 0.00 C ATOM 637 SD MET A 36 -0.416 -3.774 -0.144 1.00 0.00 S ATOM 638 CE MET A 36 -0.491 -5.213 0.919 1.00 0.00 C ATOM 0 H MET A 36 -2.431 -4.328 -4.248 1.00 0.00 H new ATOM 0 HA MET A 36 -1.495 -6.661 -3.073 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.827 -4.145 -2.072 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.498 -5.447 -0.947 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.067 -5.361 -1.904 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.533 -3.794 -2.536 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.085 -5.026 1.825 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.529 -5.416 1.184 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.075 -6.074 0.396 1.00 0.00 H new ATOM 648 N ASN A 37 -4.779 -6.321 -2.841 1.00 0.00 N ATOM 649 CA ASN A 37 -6.015 -7.050 -2.583 1.00 0.00 C ATOM 650 C ASN A 37 -6.074 -8.331 -3.409 1.00 0.00 C ATOM 651 O ASN A 37 -6.376 -9.406 -2.889 1.00 0.00 O ATOM 652 CB ASN A 37 -7.226 -6.170 -2.898 1.00 0.00 C ATOM 653 CG ASN A 37 -7.709 -5.396 -1.687 1.00 0.00 C ATOM 654 OD1 ASN A 37 -7.782 -5.933 -0.582 1.00 0.00 O ATOM 655 ND2 ASN A 37 -8.043 -4.127 -1.891 1.00 0.00 N ATOM 0 H ASN A 37 -4.913 -5.350 -3.122 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.035 -7.319 -1.527 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.967 -5.471 -3.693 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.037 -6.794 -3.274 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.376 -3.556 -1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.966 -3.723 -2.825 1.00 0.00 H new ATOM 662 N LYS A 38 -5.783 -8.210 -4.700 1.00 0.00 N ATOM 663 CA LYS A 38 -5.800 -9.357 -5.600 1.00 0.00 C ATOM 664 C LYS A 38 -4.956 -10.499 -5.042 1.00 0.00 C ATOM 665 O LYS A 38 -5.310 -11.670 -5.181 1.00 0.00 O ATOM 666 CB LYS A 38 -5.282 -8.954 -6.983 1.00 0.00 C ATOM 667 CG LYS A 38 -6.095 -7.851 -7.639 1.00 0.00 C ATOM 668 CD LYS A 38 -5.382 -7.282 -8.854 1.00 0.00 C ATOM 669 CE LYS A 38 -5.469 -8.225 -10.044 1.00 0.00 C ATOM 670 NZ LYS A 38 -4.326 -9.179 -10.080 1.00 0.00 N ATOM 0 H LYS A 38 -5.532 -7.328 -5.147 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.830 -9.701 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.246 -8.626 -6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.283 -9.830 -7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.068 -8.242 -7.937 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.279 -7.055 -6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.822 -6.320 -9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.336 -7.098 -8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.405 -8.781 -9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.487 -7.645 -10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.796 -9.052 -10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.697 -8.998 -9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.685 -10.154 -10.028 1.00 0.00 H new ATOM 684 N TYR A 39 -3.841 -10.150 -4.411 1.00 0.00 N ATOM 685 CA TYR A 39 -2.946 -11.146 -3.833 1.00 0.00 C ATOM 686 C TYR A 39 -3.595 -11.831 -2.634 1.00 0.00 C ATOM 687 O TYR A 39 -3.624 -13.059 -2.546 1.00 0.00 O ATOM 688 CB TYR A 39 -1.628 -10.495 -3.410 1.00 0.00 C ATOM 689 CG TYR A 39 -0.577 -11.487 -2.969 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.627 -12.068 -1.708 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.467 -11.845 -3.813 1.00 0.00 C ATOM 692 CE1 TYR A 39 0.332 -12.975 -1.300 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.430 -12.752 -3.414 1.00 0.00 C ATOM 694 CZ TYR A 39 1.358 -13.314 -2.157 1.00 0.00 C ATOM 695 OH TYR A 39 2.315 -14.217 -1.755 1.00 0.00 O ATOM 0 H TYR A 39 -3.535 -9.185 -4.286 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.743 -11.900 -4.594 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.237 -9.911 -4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.822 -9.798 -2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.430 -11.806 -1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.527 -11.407 -4.798 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.279 -13.416 -0.316 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.235 -13.019 -4.083 1.00 0.00 H new ATOM 0 HH TYR A 39 2.966 -14.347 -2.476 1.00 0.00 H new ATOM 705 N LEU A 40 -4.116 -11.028 -1.713 1.00 0.00 N ATOM 706 CA LEU A 40 -4.766 -11.554 -0.518 1.00 0.00 C ATOM 707 C LEU A 40 -5.974 -12.410 -0.887 1.00 0.00 C ATOM 708 O LEU A 40 -6.301 -13.373 -0.193 1.00 0.00 O ATOM 709 CB LEU A 40 -5.200 -10.408 0.398 1.00 0.00 C ATOM 710 CG LEU A 40 -4.342 -9.143 0.342 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.659 -8.232 1.517 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.864 -9.502 0.326 1.00 0.00 C ATOM 0 H LEU A 40 -4.101 -10.010 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.047 -12.180 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.226 -10.138 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.207 -10.773 1.425 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.575 -8.608 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.039 -7.337 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.711 -7.948 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.454 -8.757 2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.268 -8.590 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.615 -10.059 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.648 -10.115 -0.549 1.00 0.00 H new ATOM 724 N TYR A 41 -6.632 -12.053 -1.985 1.00 0.00 N ATOM 725 CA TYR A 41 -7.803 -12.788 -2.447 1.00 0.00 C ATOM 726 C TYR A 41 -7.394 -13.983 -3.302 1.00 0.00 C ATOM 727 O TYR A 41 -8.241 -14.744 -3.771 1.00 0.00 O ATOM 728 CB TYR A 41 -8.726 -11.867 -3.247 1.00 0.00 C ATOM 729 CG TYR A 41 -10.194 -12.192 -3.085 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.767 -13.261 -3.762 1.00 0.00 C ATOM 731 CD2 TYR A 41 -11.007 -11.430 -2.255 1.00 0.00 C ATOM 732 CE1 TYR A 41 -12.108 -13.561 -3.618 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.349 -11.724 -2.104 1.00 0.00 C ATOM 734 CZ TYR A 41 -12.894 -12.790 -2.788 1.00 0.00 C ATOM 735 OH TYR A 41 -14.230 -13.086 -2.641 1.00 0.00 O ATOM 0 H TYR A 41 -6.374 -11.259 -2.571 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.338 -13.157 -1.572 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.554 -10.836 -2.937 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.463 -11.931 -4.303 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.154 -13.868 -4.412 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.583 -10.594 -1.719 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.538 -14.395 -4.153 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.967 -11.122 -1.454 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.640 -12.448 -2.021 1.00 0.00 H new ATOM 745 N SER A 42 -6.089 -14.143 -3.499 1.00 0.00 N ATOM 746 CA SER A 42 -5.566 -15.244 -4.300 1.00 0.00 C ATOM 747 C SER A 42 -4.931 -16.308 -3.410 1.00 0.00 C ATOM 748 O SER A 42 -4.842 -17.477 -3.787 1.00 0.00 O ATOM 749 CB SER A 42 -4.539 -14.726 -5.308 1.00 0.00 C ATOM 750 OG SER A 42 -4.289 -15.685 -6.320 1.00 0.00 O ATOM 0 H SER A 42 -5.375 -13.524 -3.115 1.00 0.00 H new ATOM 0 HA SER A 42 -6.398 -15.696 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.902 -13.803 -5.759 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.609 -14.485 -4.793 1.00 0.00 H new ATOM 0 HG SER A 42 -3.630 -15.329 -6.952 1.00 0.00 H new ATOM 756 N VAL A 43 -4.489 -15.895 -2.227 1.00 0.00 N ATOM 757 CA VAL A 43 -3.862 -16.811 -1.282 1.00 0.00 C ATOM 758 C VAL A 43 -4.910 -17.577 -0.482 1.00 0.00 C ATOM 759 O VAL A 43 -5.696 -16.986 0.259 1.00 0.00 O ATOM 760 CB VAL A 43 -2.933 -16.064 -0.307 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.609 -14.806 0.217 1.00 0.00 C ATOM 762 CG2 VAL A 43 -2.521 -16.974 0.840 1.00 0.00 C ATOM 0 H VAL A 43 -4.554 -14.931 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.270 -17.514 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.033 -15.767 -0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.937 -14.291 0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.849 -14.147 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.526 -15.077 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.865 -16.429 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.409 -17.304 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.994 -17.842 0.444 1.00 0.00 H new ATOM 772 N LYS A 44 -4.915 -18.897 -0.635 1.00 0.00 N ATOM 773 CA LYS A 44 -5.864 -19.746 0.074 1.00 0.00 C ATOM 774 C LYS A 44 -5.631 -19.683 1.580 1.00 0.00 C ATOM 775 O LYS A 44 -6.573 -19.771 2.368 1.00 0.00 O ATOM 776 CB LYS A 44 -5.747 -21.193 -0.411 1.00 0.00 C ATOM 777 CG LYS A 44 -6.631 -21.508 -1.605 1.00 0.00 C ATOM 778 CD LYS A 44 -8.061 -21.797 -1.179 1.00 0.00 C ATOM 779 CE LYS A 44 -8.224 -23.234 -0.710 1.00 0.00 C ATOM 780 NZ LYS A 44 -9.614 -23.730 -0.912 1.00 0.00 N ATOM 0 H LYS A 44 -4.272 -19.402 -1.244 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.869 -19.379 -0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.709 -21.396 -0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.005 -21.864 0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.620 -20.668 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.229 -22.368 -2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.347 -21.117 -0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.736 -21.607 -2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.528 -23.874 -1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.964 -23.303 0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.684 -24.713 -0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.276 -23.135 -0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.854 -23.689 -1.923 1.00 0.00 H new ATOM 794 N ASP A 45 -4.372 -19.529 1.973 1.00 0.00 N ATOM 795 CA ASP A 45 -4.015 -19.452 3.385 1.00 0.00 C ATOM 796 C ASP A 45 -4.539 -18.161 4.008 1.00 0.00 C ATOM 797 O ASP A 45 -3.874 -17.125 3.968 1.00 0.00 O ATOM 798 CB ASP A 45 -2.498 -19.536 3.556 1.00 0.00 C ATOM 799 CG ASP A 45 -1.998 -20.967 3.597 1.00 0.00 C ATOM 800 OD1 ASP A 45 -2.398 -21.708 4.520 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.207 -21.345 2.708 1.00 0.00 O ATOM 0 H ASP A 45 -3.581 -19.455 1.334 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.477 -20.296 3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.013 -19.008 2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.210 -19.027 4.476 1.00 0.00 H new ATOM 806 N THR A 46 -5.736 -18.231 4.582 1.00 0.00 N ATOM 807 CA THR A 46 -6.350 -17.068 5.211 1.00 0.00 C ATOM 808 C THR A 46 -5.360 -16.345 6.117 1.00 0.00 C ATOM 809 O THR A 46 -5.180 -15.131 6.013 1.00 0.00 O ATOM 810 CB THR A 46 -7.588 -17.465 6.037 1.00 0.00 C ATOM 811 OG1 THR A 46 -7.202 -18.320 7.119 1.00 0.00 O ATOM 812 CG2 THR A 46 -8.616 -18.172 5.167 1.00 0.00 C ATOM 0 H THR A 46 -6.299 -19.080 4.624 1.00 0.00 H new ATOM 0 HA THR A 46 -6.657 -16.399 4.407 1.00 0.00 H new ATOM 0 HB THR A 46 -8.037 -16.556 6.436 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.995 -18.566 7.640 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.481 -18.442 5.773 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.930 -17.508 4.362 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.175 -19.073 4.742 1.00 0.00 H new ATOM 820 N HIS A 47 -4.718 -17.098 7.004 1.00 0.00 N ATOM 821 CA HIS A 47 -3.743 -16.528 7.928 1.00 0.00 C ATOM 822 C HIS A 47 -2.714 -15.685 7.180 1.00 0.00 C ATOM 823 O HIS A 47 -2.164 -14.729 7.727 1.00 0.00 O ATOM 824 CB HIS A 47 -3.039 -17.639 8.708 1.00 0.00 C ATOM 825 CG HIS A 47 -3.820 -18.129 9.888 1.00 0.00 C ATOM 826 ND1 HIS A 47 -4.110 -17.338 10.980 1.00 0.00 N ATOM 827 CD2 HIS A 47 -4.374 -19.337 10.143 1.00 0.00 C ATOM 828 CE1 HIS A 47 -4.807 -18.040 11.856 1.00 0.00 C ATOM 829 NE2 HIS A 47 -4.982 -19.256 11.372 1.00 0.00 N ATOM 0 H HIS A 47 -4.855 -18.104 7.103 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.275 -15.884 8.628 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.846 -18.476 8.037 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.070 -17.274 9.050 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.344 -20.204 9.500 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.172 -17.680 12.807 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.486 -20.012 11.835 1.00 0.00 H new ATOM 838 N LEU A 48 -2.459 -16.046 5.928 1.00 0.00 N ATOM 839 CA LEU A 48 -1.495 -15.323 5.104 1.00 0.00 C ATOM 840 C LEU A 48 -2.047 -13.964 4.687 1.00 0.00 C ATOM 841 O LEU A 48 -1.405 -12.933 4.889 1.00 0.00 O ATOM 842 CB LEU A 48 -1.137 -16.144 3.864 1.00 0.00 C ATOM 843 CG LEU A 48 0.139 -15.729 3.130 1.00 0.00 C ATOM 844 CD1 LEU A 48 0.660 -16.875 2.277 1.00 0.00 C ATOM 845 CD2 LEU A 48 -0.115 -14.497 2.274 1.00 0.00 C ATOM 0 H LEU A 48 -2.906 -16.835 5.460 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.595 -15.162 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.039 -17.188 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.970 -16.089 3.163 1.00 0.00 H new ATOM 0 HG LEU A 48 0.898 -15.481 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.568 -16.562 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.881 -17.731 2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.095 -17.155 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.804 -14.216 1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.890 -14.718 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.441 -13.674 2.909 1.00 0.00 H new ATOM 857 N ARG A 49 -3.242 -13.970 4.106 1.00 0.00 N ATOM 858 CA ARG A 49 -3.881 -12.737 3.661 1.00 0.00 C ATOM 859 C ARG A 49 -4.247 -11.854 4.851 1.00 0.00 C ATOM 860 O ARG A 49 -4.264 -10.629 4.743 1.00 0.00 O ATOM 861 CB ARG A 49 -5.135 -13.054 2.843 1.00 0.00 C ATOM 862 CG ARG A 49 -6.003 -14.140 3.456 1.00 0.00 C ATOM 863 CD ARG A 49 -7.341 -14.253 2.741 1.00 0.00 C ATOM 864 NE ARG A 49 -8.237 -13.151 3.079 1.00 0.00 N ATOM 865 CZ ARG A 49 -9.396 -12.932 2.468 1.00 0.00 C ATOM 866 NH1 ARG A 49 -9.797 -13.736 1.493 1.00 0.00 N ATOM 867 NH2 ARG A 49 -10.157 -11.908 2.833 1.00 0.00 N ATOM 0 H ARG A 49 -3.787 -14.814 3.932 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.173 -12.196 3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.727 -12.145 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.837 -13.362 1.841 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.481 -15.096 3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.170 -13.922 4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.176 -14.269 1.664 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.814 -15.199 3.005 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.958 -12.514 3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.215 -14.525 1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.687 -13.566 1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.852 -11.288 3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.047 -11.741 2.363 1.00 0.00 H new ATOM 881 N GLN A 50 -4.539 -12.487 5.983 1.00 0.00 N ATOM 882 CA GLN A 50 -4.905 -11.758 7.191 1.00 0.00 C ATOM 883 C GLN A 50 -3.777 -10.832 7.632 1.00 0.00 C ATOM 884 O GLN A 50 -4.020 -9.741 8.148 1.00 0.00 O ATOM 885 CB GLN A 50 -5.248 -12.736 8.317 1.00 0.00 C ATOM 886 CG GLN A 50 -6.722 -13.103 8.377 1.00 0.00 C ATOM 887 CD GLN A 50 -7.058 -14.311 7.526 1.00 0.00 C ATOM 888 OE1 GLN A 50 -6.901 -15.453 7.959 1.00 0.00 O ATOM 889 NE2 GLN A 50 -7.524 -14.065 6.306 1.00 0.00 N ATOM 0 H GLN A 50 -4.529 -13.501 6.088 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.782 -11.150 6.967 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.661 -13.645 8.188 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.952 -12.298 9.270 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.001 -13.303 9.412 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.318 -12.253 8.045 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.638 -13.103 5.988 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.767 -14.839 5.687 1.00 0.00 H new ATOM 898 N LYS A 51 -2.541 -11.274 7.426 1.00 0.00 N ATOM 899 CA LYS A 51 -1.373 -10.486 7.801 1.00 0.00 C ATOM 900 C LYS A 51 -1.190 -9.302 6.857 1.00 0.00 C ATOM 901 O LYS A 51 -0.859 -8.197 7.289 1.00 0.00 O ATOM 902 CB LYS A 51 -0.117 -11.359 7.790 1.00 0.00 C ATOM 903 CG LYS A 51 1.021 -10.799 8.625 1.00 0.00 C ATOM 904 CD LYS A 51 1.895 -11.906 9.191 1.00 0.00 C ATOM 905 CE LYS A 51 3.277 -11.390 9.564 1.00 0.00 C ATOM 906 NZ LYS A 51 3.286 -10.756 10.911 1.00 0.00 N ATOM 0 H LYS A 51 -2.322 -12.175 7.001 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.533 -10.104 8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.372 -12.352 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.223 -11.478 6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.628 -10.132 8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.615 -10.202 9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.416 -12.335 10.071 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.990 -12.707 8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.990 -12.214 9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.608 -10.666 8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.245 -10.417 11.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.625 -9.954 10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.995 -11.454 11.625 1.00 0.00 H new ATOM 920 N TRP A 52 -1.410 -9.539 5.569 1.00 0.00 N ATOM 921 CA TRP A 52 -1.270 -8.491 4.564 1.00 0.00 C ATOM 922 C TRP A 52 -2.421 -7.495 4.654 1.00 0.00 C ATOM 923 O TRP A 52 -2.240 -6.302 4.411 1.00 0.00 O ATOM 924 CB TRP A 52 -1.216 -9.103 3.163 1.00 0.00 C ATOM 925 CG TRP A 52 0.036 -9.883 2.904 1.00 0.00 C ATOM 926 CD1 TRP A 52 0.122 -11.177 2.474 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.382 -9.420 3.059 1.00 0.00 C ATOM 928 NE1 TRP A 52 1.440 -11.545 2.353 1.00 0.00 N ATOM 929 CE2 TRP A 52 2.233 -10.485 2.705 1.00 0.00 C ATOM 930 CE3 TRP A 52 1.951 -8.208 3.461 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.620 -10.374 2.743 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.329 -8.100 3.498 1.00 0.00 C ATOM 933 CH2 TRP A 52 4.150 -9.176 3.140 1.00 0.00 C ATOM 0 H TRP A 52 -1.686 -10.447 5.196 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.338 -7.959 4.756 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.078 -9.757 3.026 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.299 -8.307 2.423 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.722 -11.816 2.261 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.774 -12.460 2.050 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.326 -7.372 3.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.255 -11.203 2.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.780 -7.169 3.809 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.223 -9.059 3.178 1.00 0.00 H new ATOM 944 N GLN A 53 -3.603 -7.992 5.004 1.00 0.00 N ATOM 945 CA GLN A 53 -4.783 -7.144 5.124 1.00 0.00 C ATOM 946 C GLN A 53 -4.534 -6.001 6.102 1.00 0.00 C ATOM 947 O GLN A 53 -4.744 -4.834 5.773 1.00 0.00 O ATOM 948 CB GLN A 53 -5.986 -7.970 5.582 1.00 0.00 C ATOM 949 CG GLN A 53 -7.281 -7.176 5.645 1.00 0.00 C ATOM 950 CD GLN A 53 -8.485 -8.046 5.944 1.00 0.00 C ATOM 951 OE1 GLN A 53 -8.671 -8.501 7.073 1.00 0.00 O ATOM 952 NE2 GLN A 53 -9.312 -8.282 4.932 1.00 0.00 N ATOM 0 H GLN A 53 -3.769 -8.977 5.209 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.996 -6.719 4.143 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.118 -8.812 4.902 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.776 -8.386 6.567 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.194 -6.407 6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.435 -6.663 4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.119 -7.885 4.013 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.140 -8.861 5.074 1.00 0.00 H new ATOM 961 N GLN A 54 -4.085 -6.345 7.305 1.00 0.00 N ATOM 962 CA GLN A 54 -3.809 -5.346 8.331 1.00 0.00 C ATOM 963 C GLN A 54 -2.818 -4.303 7.823 1.00 0.00 C ATOM 964 O GLN A 54 -2.930 -3.119 8.140 1.00 0.00 O ATOM 965 CB GLN A 54 -3.259 -6.017 9.591 1.00 0.00 C ATOM 966 CG GLN A 54 -2.003 -6.838 9.345 1.00 0.00 C ATOM 967 CD GLN A 54 -1.221 -7.103 10.616 1.00 0.00 C ATOM 968 OE1 GLN A 54 -0.410 -6.280 11.043 1.00 0.00 O ATOM 969 NE2 GLN A 54 -1.461 -8.256 11.229 1.00 0.00 N ATOM 0 H GLN A 54 -3.905 -7.307 7.593 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.745 -4.843 8.574 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.042 -5.251 10.335 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.028 -6.663 10.014 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.278 -7.788 8.888 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.365 -6.315 8.633 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.142 -8.909 10.840 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.965 -8.489 12.089 1.00 0.00 H new ATOM 978 N VAL A 55 -1.848 -4.752 7.033 1.00 0.00 N ATOM 979 CA VAL A 55 -0.838 -3.857 6.480 1.00 0.00 C ATOM 980 C VAL A 55 -1.419 -2.994 5.366 1.00 0.00 C ATOM 981 O VAL A 55 -1.040 -1.834 5.205 1.00 0.00 O ATOM 982 CB VAL A 55 0.367 -4.643 5.929 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.403 -3.694 5.347 1.00 0.00 C ATOM 984 CG2 VAL A 55 0.980 -5.510 7.019 1.00 0.00 C ATOM 0 H VAL A 55 -1.740 -5.729 6.762 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.503 -3.216 7.295 1.00 0.00 H new ATOM 0 HB VAL A 55 0.018 -5.296 5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.247 -4.267 4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.955 -3.120 4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.751 -3.014 6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.830 -6.058 6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.315 -4.878 7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.234 -6.216 7.385 1.00 0.00 H new ATOM 994 N TRP A 56 -2.340 -3.567 4.601 1.00 0.00 N ATOM 995 CA TRP A 56 -2.975 -2.848 3.501 1.00 0.00 C ATOM 996 C TRP A 56 -3.592 -1.542 3.988 1.00 0.00 C ATOM 997 O TRP A 56 -3.622 -0.551 3.259 1.00 0.00 O ATOM 998 CB TRP A 56 -4.048 -3.720 2.847 1.00 0.00 C ATOM 999 CG TRP A 56 -4.642 -3.107 1.615 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.280 -3.351 0.321 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.703 -2.146 1.563 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.051 -2.600 -0.532 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -5.932 -1.853 0.204 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.482 -1.507 2.531 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -6.907 -0.948 -0.207 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.449 -0.609 2.121 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -7.655 -0.336 0.762 1.00 0.00 C ATOM 0 H TRP A 56 -2.664 -4.527 4.721 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.208 -2.613 2.763 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.614 -4.686 2.590 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.842 -3.909 3.569 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.502 -4.034 0.014 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.979 -2.599 -1.549 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.331 -1.711 3.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.067 -0.736 -1.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -8.057 -0.109 2.861 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.419 0.371 0.474 1.00 0.00 H new ATOM 1018 N GLN A 57 -4.082 -1.548 5.224 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.698 -0.362 5.806 1.00 0.00 C ATOM 1020 C GLN A 57 -3.656 0.720 6.069 1.00 0.00 C ATOM 1021 O GLN A 57 -3.904 1.902 5.836 1.00 0.00 O ATOM 1022 CB GLN A 57 -5.416 -0.722 7.108 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.813 -1.285 6.898 1.00 0.00 C ATOM 1024 CD GLN A 57 -7.843 -0.204 6.632 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -7.514 0.981 6.567 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -9.098 -0.608 6.477 1.00 0.00 N ATOM 0 H GLN A 57 -4.064 -2.360 5.841 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.425 0.026 5.093 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.818 -1.452 7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.482 0.168 7.734 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.798 -1.982 6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.108 -1.854 7.780 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.326 -1.600 6.539 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.835 0.074 6.296 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.490 0.306 6.556 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.411 1.241 6.851 1.00 0.00 C ATOM 1037 C GLU A 58 -0.936 1.942 5.582 1.00 0.00 C ATOM 1038 O GLU A 58 -0.503 3.094 5.622 1.00 0.00 O ATOM 1039 CB GLU A 58 -0.240 0.511 7.513 1.00 0.00 C ATOM 1040 CG GLU A 58 -0.508 0.112 8.954 1.00 0.00 C ATOM 1041 CD GLU A 58 0.764 -0.023 9.768 1.00 0.00 C ATOM 1042 OE1 GLU A 58 1.294 1.014 10.218 1.00 0.00 O ATOM 1043 OE2 GLU A 58 1.230 -1.167 9.955 1.00 0.00 O ATOM 0 H GLU A 58 -2.269 -0.670 6.754 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.796 1.994 7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.007 -0.383 6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.642 1.151 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.155 0.856 9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.048 -0.835 8.971 1.00 0.00 H new ATOM 1050 N ILE A 59 -1.020 1.238 4.458 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.600 1.793 3.177 1.00 0.00 C ATOM 1052 C ILE A 59 -1.695 2.661 2.567 1.00 0.00 C ATOM 1053 O ILE A 59 -1.415 3.671 1.924 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.225 0.681 2.179 1.00 0.00 C ATOM 1055 CG1 ILE A 59 0.909 -0.178 2.740 1.00 0.00 C ATOM 1056 CG2 ILE A 59 0.173 1.285 0.840 1.00 0.00 C ATOM 1057 CD1 ILE A 59 0.976 -1.562 2.133 1.00 0.00 C ATOM 0 H ILE A 59 -1.375 0.283 4.408 1.00 0.00 H new ATOM 0 HA ILE A 59 0.279 2.407 3.372 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.095 0.043 2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.858 0.331 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.785 -0.269 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.435 0.488 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.662 1.858 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.031 1.943 0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.803 -2.115 2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.042 -2.090 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.131 -1.480 1.057 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.945 2.260 2.776 1.00 0.00 N ATOM 1070 CA ASN A 60 -4.084 3.002 2.248 1.00 0.00 C ATOM 1071 C ASN A 60 -4.293 4.300 3.021 1.00 0.00 C ATOM 1072 O ASN A 60 -4.774 5.292 2.472 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.351 2.146 2.313 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.612 2.986 2.381 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -6.991 3.636 1.407 1.00 0.00 O ATOM 1076 ND2 ASN A 60 -7.269 2.974 3.535 1.00 0.00 N ATOM 0 H ASN A 60 -3.195 1.426 3.307 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.874 3.250 1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.395 1.499 1.437 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.303 1.496 3.187 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.125 3.519 3.640 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.918 2.420 4.316 1.00 0.00 H new ATOM 1083 N VAL A 61 -3.928 4.287 4.299 1.00 0.00 N ATOM 1084 CA VAL A 61 -4.074 5.463 5.148 1.00 0.00 C ATOM 1085 C VAL A 61 -2.940 6.454 4.913 1.00 0.00 C ATOM 1086 O VAL A 61 -3.171 7.655 4.773 1.00 0.00 O ATOM 1087 CB VAL A 61 -4.104 5.078 6.640 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -2.690 4.932 7.182 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.886 6.109 7.439 1.00 0.00 C ATOM 0 H VAL A 61 -3.529 3.475 4.769 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.022 5.930 4.882 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.607 4.116 6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.731 4.660 8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.166 4.154 6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.159 5.877 7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.898 5.822 8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.413 7.085 7.334 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.909 6.159 7.065 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.713 5.943 4.870 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.543 6.785 4.652 1.00 0.00 C ATOM 1101 C GLU A 62 -0.634 7.506 3.311 1.00 0.00 C ATOM 1102 O GLU A 62 -0.132 8.620 3.157 1.00 0.00 O ATOM 1103 CB GLU A 62 0.735 5.944 4.706 1.00 0.00 C ATOM 1104 CG GLU A 62 0.977 5.125 3.449 1.00 0.00 C ATOM 1105 CD GLU A 62 2.262 4.323 3.515 1.00 0.00 C ATOM 1106 OE1 GLU A 62 2.518 3.696 4.564 1.00 0.00 O ATOM 1107 OE2 GLU A 62 3.012 4.322 2.516 1.00 0.00 O ATOM 0 H GLU A 62 -1.504 4.951 4.983 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.512 7.532 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.587 6.603 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.682 5.272 5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.137 4.447 3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.012 5.791 2.587 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.278 6.863 2.342 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.437 7.443 1.014 1.00 0.00 C ATOM 1116 C ALA A 63 -2.318 8.687 1.060 1.00 0.00 C ATOM 1117 O ALA A 63 -2.136 9.619 0.276 1.00 0.00 O ATOM 1118 CB ALA A 63 -2.021 6.416 0.056 1.00 0.00 C ATOM 0 H ALA A 63 -1.698 5.940 2.452 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.452 7.740 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.134 6.863 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.353 5.557 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.995 6.091 0.421 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.273 8.696 1.983 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.183 9.825 2.132 1.00 0.00 C ATOM 1126 C LYS A 64 -3.455 11.040 2.699 1.00 0.00 C ATOM 1127 O LYS A 64 -3.693 12.170 2.276 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.353 9.447 3.044 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.486 10.459 3.031 1.00 0.00 C ATOM 1130 CD LYS A 64 -7.828 9.796 3.292 1.00 0.00 C ATOM 1131 CE LYS A 64 -7.902 9.224 4.699 1.00 0.00 C ATOM 1132 NZ LYS A 64 -8.318 10.251 5.694 1.00 0.00 N ATOM 0 H LYS A 64 -3.437 7.933 2.640 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.568 10.082 1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.741 8.475 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.987 9.338 4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.303 11.222 3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.511 10.966 2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.628 10.523 3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.989 9.000 2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.608 8.394 4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.929 8.821 4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.356 9.822 6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.631 11.031 5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.258 10.618 5.442 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.565 10.797 3.657 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.802 11.871 4.280 1.00 0.00 C ATOM 1148 C GLN A 65 -1.072 12.701 3.229 1.00 0.00 C ATOM 1149 O GLN A 65 -1.076 13.931 3.282 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.797 11.298 5.281 1.00 0.00 C ATOM 1151 CG GLN A 65 -1.434 10.824 6.578 1.00 0.00 C ATOM 1152 CD GLN A 65 -2.476 9.746 6.357 1.00 0.00 C ATOM 1153 OE1 GLN A 65 -3.525 9.993 5.761 1.00 0.00 O ATOM 1154 NE2 GLN A 65 -2.192 8.540 6.836 1.00 0.00 N ATOM 0 H GLN A 65 -2.355 9.866 4.018 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.501 12.519 4.808 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.271 10.463 4.818 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.050 12.058 5.509 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.658 10.443 7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.896 11.673 7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.311 8.380 7.324 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.855 7.774 6.716 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.447 12.021 2.274 1.00 0.00 N ATOM 1164 CA VAL A 66 0.287 12.695 1.209 1.00 0.00 C ATOM 1165 C VAL A 66 -0.586 13.732 0.512 1.00 0.00 C ATOM 1166 O VAL A 66 -0.105 14.787 0.096 1.00 0.00 O ATOM 1167 CB VAL A 66 0.807 11.692 0.163 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.412 12.424 -1.025 1.00 0.00 C ATOM 1169 CG2 VAL A 66 1.821 10.746 0.790 1.00 0.00 C ATOM 0 H VAL A 66 -0.434 11.003 2.216 1.00 0.00 H new ATOM 0 HA VAL A 66 1.136 13.193 1.677 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.035 11.100 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.774 11.698 -1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.654 13.056 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.243 13.043 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.178 10.044 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.662 11.320 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.350 10.196 1.604 1.00 0.00 H new ATOM 1179 N LYS A 67 -1.873 13.427 0.389 1.00 0.00 N ATOM 1180 CA LYS A 67 -2.817 14.333 -0.256 1.00 0.00 C ATOM 1181 C LYS A 67 -2.893 15.661 0.490 1.00 0.00 C ATOM 1182 O LYS A 67 -3.096 16.714 -0.115 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.205 13.693 -0.324 1.00 0.00 C ATOM 1184 CG LYS A 67 -5.090 14.274 -1.413 1.00 0.00 C ATOM 1185 CD LYS A 67 -6.290 13.384 -1.690 1.00 0.00 C ATOM 1186 CE LYS A 67 -7.314 13.464 -0.568 1.00 0.00 C ATOM 1187 NZ LYS A 67 -8.506 12.616 -0.842 1.00 0.00 N ATOM 0 H LYS A 67 -2.287 12.559 0.728 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.463 14.526 -1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.094 12.622 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.700 13.816 0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.432 15.265 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.509 14.399 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.755 13.681 -2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.959 12.352 -1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.852 13.149 0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.628 14.499 -0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.179 12.699 -0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.962 12.932 -1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.211 11.624 -0.942 1.00 0.00 H new ATOM 1201 N ASP A 68 -2.727 15.604 1.807 1.00 0.00 N ATOM 1202 CA ASP A 68 -2.775 16.803 2.636 1.00 0.00 C ATOM 1203 C ASP A 68 -1.470 17.587 2.533 1.00 0.00 C ATOM 1204 O ASP A 68 -1.464 18.752 2.135 1.00 0.00 O ATOM 1205 CB ASP A 68 -3.047 16.431 4.094 1.00 0.00 C ATOM 1206 CG ASP A 68 -3.499 17.618 4.920 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -4.413 18.341 4.470 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -2.940 17.826 6.018 1.00 0.00 O ATOM 0 H ASP A 68 -2.558 14.741 2.323 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.587 17.433 2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.811 15.654 4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.143 16.010 4.533 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.367 16.940 2.896 1.00 0.00 N ATOM 1214 CA ILE A 69 0.943 17.577 2.844 1.00 0.00 C ATOM 1215 C ILE A 69 1.182 18.234 1.489 1.00 0.00 C ATOM 1216 O ILE A 69 1.733 19.332 1.409 1.00 0.00 O ATOM 1217 CB ILE A 69 2.072 16.565 3.118 1.00 0.00 C ATOM 1218 CG1 ILE A 69 2.361 15.739 1.863 1.00 0.00 C ATOM 1219 CG2 ILE A 69 1.699 15.658 4.281 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.457 14.715 2.053 1.00 0.00 C ATOM 0 H ILE A 69 -0.355 15.976 3.229 1.00 0.00 H new ATOM 0 HA ILE A 69 0.954 18.341 3.622 1.00 0.00 H new ATOM 0 HB ILE A 69 2.975 17.114 3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.448 15.229 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.640 16.411 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.506 14.949 4.463 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.537 16.260 5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.786 15.114 4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.608 14.167 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.382 15.220 2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.172 14.019 2.842 1.00 0.00 H new ATOM 1232 N MET A 70 0.762 17.556 0.426 1.00 0.00 N ATOM 1233 CA MET A 70 0.927 18.076 -0.926 1.00 0.00 C ATOM 1234 C MET A 70 0.077 19.324 -1.136 1.00 0.00 C ATOM 1235 O MET A 70 -0.951 19.506 -0.483 1.00 0.00 O ATOM 1236 CB MET A 70 0.550 17.008 -1.955 1.00 0.00 C ATOM 1237 CG MET A 70 -0.916 17.041 -2.356 1.00 0.00 C ATOM 1238 SD MET A 70 -1.229 18.136 -3.754 1.00 0.00 S ATOM 1239 CE MET A 70 -1.461 16.945 -5.071 1.00 0.00 C ATOM 0 H MET A 70 0.305 16.645 0.475 1.00 0.00 H new ATOM 0 HA MET A 70 1.975 18.346 -1.060 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.165 17.140 -2.845 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.785 16.024 -1.548 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.242 16.032 -2.609 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.514 17.365 -1.505 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.664 17.470 -6.005 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.558 16.344 -5.181 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.302 16.295 -4.830 1.00 0.00 H new ATOM 1249 N LYS A 71 0.511 20.183 -2.052 1.00 0.00 N ATOM 1250 CA LYS A 71 -0.210 21.415 -2.350 1.00 0.00 C ATOM 1251 C LYS A 71 -0.476 21.541 -3.847 1.00 0.00 C ATOM 1252 O LYS A 71 0.249 20.977 -4.667 1.00 0.00 O ATOM 1253 CB LYS A 71 0.584 22.627 -1.858 1.00 0.00 C ATOM 1254 CG LYS A 71 -0.119 23.952 -2.096 1.00 0.00 C ATOM 1255 CD LYS A 71 -1.281 24.147 -1.138 1.00 0.00 C ATOM 1256 CE LYS A 71 -1.622 25.619 -0.967 1.00 0.00 C ATOM 1257 NZ LYS A 71 -2.922 25.810 -0.266 1.00 0.00 N ATOM 0 H LYS A 71 1.360 20.048 -2.602 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.168 21.381 -1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.778 22.515 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.552 22.644 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.593 24.769 -1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.482 23.993 -3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.154 23.611 -1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.031 23.715 -0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.830 26.112 -0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.663 26.098 -1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.118 26.827 -0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.682 25.362 -0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.875 25.375 0.678 1.00 0.00 H new ATOM 1271 N THR A 72 -1.519 22.288 -4.197 1.00 0.00 N ATOM 1272 CA THR A 72 -1.880 22.489 -5.595 1.00 0.00 C ATOM 1273 C THR A 72 -1.560 23.909 -6.047 1.00 0.00 C ATOM 1274 O THR A 72 -1.895 24.307 -7.163 1.00 0.00 O ATOM 1275 CB THR A 72 -3.376 22.211 -5.834 1.00 0.00 C ATOM 1276 OG1 THR A 72 -4.167 23.254 -5.253 1.00 0.00 O ATOM 1277 CG2 THR A 72 -3.779 20.870 -5.239 1.00 0.00 C ATOM 0 H THR A 72 -2.128 22.764 -3.531 1.00 0.00 H new ATOM 0 HA THR A 72 -1.289 21.783 -6.179 1.00 0.00 H new ATOM 0 HB THR A 72 -3.550 22.180 -6.910 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.117 23.071 -5.411 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.840 20.696 -5.420 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.196 20.075 -5.704 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.591 20.877 -4.165 1.00 0.00 H new TER 1285 THR A 72