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 35 GLN : amide:sc= -0.27 X(o=-0.27,f=0.093) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -140: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= -1.03 X(o=-1,f=-0.87) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.824 K(o=-0.82,f=-1.3) USER MOD Single : A -1 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 MET CE :methyl 163:sc= -1.06 (180deg=-1.6) USER MOD Single : A -3 HIS : no HD1:sc= 0.127 K(o=0.13,f=-1.7!) USER MOD Single : A -5 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc=-0.000277 F(o=-2.3!,f=-0.00028) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -141:sc= 0.48 USER MOD Single : A 26 MET CE :methyl 171:sc= -13.3! (180deg=-14.7!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.998 K(o=1,f=-0.13) USER MOD Single : A 36 MET CE :methyl -134:sc= -0.325 (180deg=-1.33!) USER MOD Single : A 37 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.5!) 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 81:sc= 0.147 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.315 K(o=-0.32,f=-1.6) 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= -0.0133 X(o=-0.013,f=-0.11) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.006) USER MOD Single : A 65 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.0033) 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 17.328 -12.749 -19.272 1.00 0.00 N ATOM 2 CA SER A -5 17.089 -11.328 -19.051 1.00 0.00 C ATOM 3 C SER A -5 15.606 -11.056 -18.820 1.00 0.00 C ATOM 4 O SER A -5 14.829 -10.941 -19.768 1.00 0.00 O ATOM 5 CB SER A -5 17.588 -10.513 -20.246 1.00 0.00 C ATOM 6 OG SER A -5 18.997 -10.367 -20.210 1.00 0.00 O ATOM 0 H1 SER A -5 18.344 -12.910 -19.427 1.00 0.00 H new ATOM 0 H2 SER A -5 17.015 -13.287 -18.439 1.00 0.00 H new ATOM 0 H3 SER A -5 16.796 -13.065 -20.108 1.00 0.00 H new ATOM 0 HA SER A -5 17.639 -11.027 -18.160 1.00 0.00 H new ATOM 0 HB2 SER A -5 17.294 -11.004 -21.174 1.00 0.00 H new ATOM 0 HB3 SER A -5 17.117 -9.530 -20.242 1.00 0.00 H new ATOM 0 HG SER A -5 19.292 -9.844 -20.985 1.00 0.00 H new ATOM 12 N ASP A -4 15.220 -10.954 -17.552 1.00 0.00 N ATOM 13 CA ASP A -4 13.831 -10.695 -17.195 1.00 0.00 C ATOM 14 C ASP A -4 13.718 -10.254 -15.739 1.00 0.00 C ATOM 15 O ASP A -4 14.649 -10.428 -14.952 1.00 0.00 O ATOM 16 CB ASP A -4 12.980 -11.944 -17.429 1.00 0.00 C ATOM 17 CG ASP A -4 12.564 -12.097 -18.879 1.00 0.00 C ATOM 18 OD1 ASP A -4 12.056 -11.114 -19.458 1.00 0.00 O ATOM 19 OD2 ASP A -4 12.747 -13.200 -19.435 1.00 0.00 O ATOM 0 H ASP A -4 15.850 -11.047 -16.755 1.00 0.00 H new ATOM 0 HA ASP A -4 13.463 -9.890 -17.830 1.00 0.00 H new ATOM 0 HB2 ASP A -4 13.541 -12.826 -17.120 1.00 0.00 H new ATOM 0 HB3 ASP A -4 12.090 -11.897 -16.802 1.00 0.00 H new ATOM 24 N HIS A -3 12.572 -9.680 -15.387 1.00 0.00 N ATOM 25 CA HIS A -3 12.337 -9.213 -14.025 1.00 0.00 C ATOM 26 C HIS A -3 11.880 -10.359 -13.128 1.00 0.00 C ATOM 27 O HIS A -3 10.868 -11.005 -13.399 1.00 0.00 O ATOM 28 CB HIS A -3 11.292 -8.097 -14.019 1.00 0.00 C ATOM 29 CG HIS A -3 10.001 -8.482 -14.673 1.00 0.00 C ATOM 30 ND1 HIS A -3 9.821 -8.484 -16.040 1.00 0.00 N ATOM 31 CD2 HIS A -3 8.822 -8.881 -14.139 1.00 0.00 C ATOM 32 CE1 HIS A -3 8.587 -8.866 -16.319 1.00 0.00 C ATOM 33 NE2 HIS A -3 7.961 -9.114 -15.183 1.00 0.00 N ATOM 0 H HIS A -3 11.792 -9.527 -16.026 1.00 0.00 H new ATOM 0 HA HIS A -3 13.277 -8.823 -13.634 1.00 0.00 H new ATOM 0 HB2 HIS A -3 11.094 -7.802 -12.989 1.00 0.00 H new ATOM 0 HB3 HIS A -3 11.701 -7.224 -14.528 1.00 0.00 H new ATOM 0 HD2 HIS A -3 8.600 -8.995 -13.088 1.00 0.00 H new ATOM 0 HE1 HIS A -3 8.163 -8.959 -17.308 1.00 0.00 H new ATOM 0 HE2 HIS A -3 6.994 -9.428 -15.095 1.00 0.00 H new ATOM 42 N MET A -2 12.633 -10.606 -12.061 1.00 0.00 N ATOM 43 CA MET A -2 12.303 -11.675 -11.125 1.00 0.00 C ATOM 44 C MET A -2 11.299 -11.194 -10.083 1.00 0.00 C ATOM 45 O MET A -2 11.678 -10.735 -9.005 1.00 0.00 O ATOM 46 CB MET A -2 13.570 -12.184 -10.433 1.00 0.00 C ATOM 47 CG MET A -2 13.430 -13.587 -9.866 1.00 0.00 C ATOM 48 SD MET A -2 12.149 -13.701 -8.603 1.00 0.00 S ATOM 49 CE MET A -2 10.843 -14.517 -9.517 1.00 0.00 C ATOM 0 H MET A -2 13.475 -10.081 -11.823 1.00 0.00 H new ATOM 0 HA MET A -2 11.852 -12.492 -11.688 1.00 0.00 H new ATOM 0 HB2 MET A -2 14.394 -12.170 -11.146 1.00 0.00 H new ATOM 0 HB3 MET A -2 13.834 -11.500 -9.627 1.00 0.00 H new ATOM 0 HG2 MET A -2 13.200 -14.280 -10.675 1.00 0.00 H new ATOM 0 HG3 MET A -2 14.383 -13.899 -9.440 1.00 0.00 H new ATOM 0 HE1 MET A -2 10.112 -14.927 -8.820 1.00 0.00 H new ATOM 0 HE2 MET A -2 10.354 -13.797 -10.174 1.00 0.00 H new ATOM 0 HE3 MET A -2 11.267 -15.324 -10.115 1.00 0.00 H new ATOM 59 N THR A -1 10.015 -11.303 -10.411 1.00 0.00 N ATOM 60 CA THR A -1 8.956 -10.878 -9.504 1.00 0.00 C ATOM 61 C THR A -1 8.969 -11.699 -8.220 1.00 0.00 C ATOM 62 O THR A -1 8.817 -12.920 -8.251 1.00 0.00 O ATOM 63 CB THR A -1 7.569 -11.000 -10.163 1.00 0.00 C ATOM 64 OG1 THR A -1 6.564 -10.470 -9.292 1.00 0.00 O ATOM 65 CG2 THR A -1 7.251 -12.451 -10.490 1.00 0.00 C ATOM 0 H THR A -1 9.684 -11.682 -11.298 1.00 0.00 H new ATOM 0 HA THR A -1 9.146 -9.832 -9.265 1.00 0.00 H new ATOM 0 HB THR A -1 7.581 -10.429 -11.092 1.00 0.00 H new ATOM 0 HG1 THR A -1 5.686 -10.550 -9.719 1.00 0.00 H new ATOM 0 HG21 THR A -1 6.267 -12.512 -10.954 1.00 0.00 H new ATOM 0 HG22 THR A -1 8.001 -12.842 -11.177 1.00 0.00 H new ATOM 0 HG23 THR A -1 7.257 -13.040 -9.573 1.00 0.00 H new ATOM 73 N MET A 1 9.152 -11.022 -7.091 1.00 0.00 N ATOM 74 CA MET A 1 9.183 -11.690 -5.796 1.00 0.00 C ATOM 75 C MET A 1 7.792 -11.731 -5.172 1.00 0.00 C ATOM 76 O MET A 1 6.835 -11.194 -5.729 1.00 0.00 O ATOM 77 CB MET A 1 10.156 -10.978 -4.854 1.00 0.00 C ATOM 78 CG MET A 1 11.584 -11.488 -4.957 1.00 0.00 C ATOM 79 SD MET A 1 12.803 -10.240 -4.499 1.00 0.00 S ATOM 80 CE MET A 1 13.524 -10.991 -3.042 1.00 0.00 C ATOM 0 H MET A 1 9.281 -10.011 -7.047 1.00 0.00 H new ATOM 0 HA MET A 1 9.523 -12.714 -5.952 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.144 -9.910 -5.072 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.809 -11.098 -3.828 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.702 -12.359 -4.312 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.775 -11.819 -5.978 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.298 -10.337 -2.641 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.750 -11.141 -2.289 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.963 -11.953 -3.308 1.00 0.00 H new ATOM 90 N SER A 2 7.687 -12.372 -4.012 1.00 0.00 N ATOM 91 CA SER A 2 6.411 -12.487 -3.315 1.00 0.00 C ATOM 92 C SER A 2 5.904 -11.115 -2.881 1.00 0.00 C ATOM 93 O SER A 2 6.537 -10.433 -2.073 1.00 0.00 O ATOM 94 CB SER A 2 6.553 -13.400 -2.095 1.00 0.00 C ATOM 95 OG SER A 2 7.057 -14.671 -2.466 1.00 0.00 O ATOM 0 H SER A 2 8.470 -12.819 -3.535 1.00 0.00 H new ATOM 0 HA SER A 2 5.687 -12.922 -4.003 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.221 -12.939 -1.367 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.584 -13.517 -1.609 1.00 0.00 H new ATOM 0 HG SER A 2 7.140 -15.235 -1.669 1.00 0.00 H new ATOM 101 N LEU A 3 4.759 -10.716 -3.423 1.00 0.00 N ATOM 102 CA LEU A 3 4.165 -9.425 -3.093 1.00 0.00 C ATOM 103 C LEU A 3 5.233 -8.339 -3.012 1.00 0.00 C ATOM 104 O LEU A 3 5.061 -7.338 -2.317 1.00 0.00 O ATOM 105 CB LEU A 3 3.409 -9.513 -1.766 1.00 0.00 C ATOM 106 CG LEU A 3 2.451 -8.362 -1.461 1.00 0.00 C ATOM 107 CD1 LEU A 3 1.082 -8.633 -2.067 1.00 0.00 C ATOM 108 CD2 LEU A 3 2.338 -8.145 0.040 1.00 0.00 C ATOM 0 H LEU A 3 4.223 -11.268 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 3 3.465 -9.162 -3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.842 -10.444 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.139 -9.575 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 3 2.851 -7.453 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.413 -7.803 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.177 -8.737 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.674 -9.553 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.652 -7.322 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.961 -9.053 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.320 -7.905 0.448 1.00 0.00 H new ATOM 120 N GLN A 4 6.334 -8.544 -3.728 1.00 0.00 N ATOM 121 CA GLN A 4 7.429 -7.581 -3.737 1.00 0.00 C ATOM 122 C GLN A 4 7.191 -6.496 -4.782 1.00 0.00 C ATOM 123 O GLN A 4 7.203 -5.306 -4.470 1.00 0.00 O ATOM 124 CB GLN A 4 8.756 -8.289 -4.013 1.00 0.00 C ATOM 125 CG GLN A 4 9.961 -7.577 -3.419 1.00 0.00 C ATOM 126 CD GLN A 4 9.823 -7.344 -1.927 1.00 0.00 C ATOM 127 OE1 GLN A 4 10.245 -6.311 -1.407 1.00 0.00 O ATOM 128 NE2 GLN A 4 9.231 -8.307 -1.230 1.00 0.00 N ATOM 0 H GLN A 4 6.491 -9.368 -4.309 1.00 0.00 H new ATOM 0 HA GLN A 4 7.474 -7.110 -2.755 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.708 -9.301 -3.612 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.893 -8.379 -5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.857 -8.167 -3.610 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.097 -6.619 -3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.896 -9.147 -1.703 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.111 -8.207 -0.222 1.00 0.00 H new ATOM 137 N MET A 5 6.974 -6.916 -6.025 1.00 0.00 N ATOM 138 CA MET A 5 6.732 -5.979 -7.116 1.00 0.00 C ATOM 139 C MET A 5 5.594 -5.024 -6.770 1.00 0.00 C ATOM 140 O MET A 5 5.420 -3.991 -7.418 1.00 0.00 O ATOM 141 CB MET A 5 6.403 -6.737 -8.403 1.00 0.00 C ATOM 142 CG MET A 5 7.623 -7.336 -9.085 1.00 0.00 C ATOM 143 SD MET A 5 8.651 -6.091 -9.888 1.00 0.00 S ATOM 144 CE MET A 5 10.270 -6.534 -9.263 1.00 0.00 C ATOM 0 H MET A 5 6.961 -7.898 -6.301 1.00 0.00 H new ATOM 0 HA MET A 5 7.639 -5.395 -7.268 1.00 0.00 H new ATOM 0 HB2 MET A 5 5.696 -7.535 -8.174 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.905 -6.060 -9.097 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.219 -7.873 -8.348 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.298 -8.066 -9.826 1.00 0.00 H new ATOM 0 HE1 MET A 5 11.017 -5.853 -9.671 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.272 -6.465 -8.175 1.00 0.00 H new ATOM 0 HE3 MET A 5 10.509 -7.555 -9.562 1.00 0.00 H new ATOM 154 N ILE A 6 4.823 -5.375 -5.746 1.00 0.00 N ATOM 155 CA ILE A 6 3.704 -4.547 -5.315 1.00 0.00 C ATOM 156 C ILE A 6 4.125 -3.585 -4.209 1.00 0.00 C ATOM 157 O ILE A 6 4.125 -2.368 -4.397 1.00 0.00 O ATOM 158 CB ILE A 6 2.529 -5.407 -4.811 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.513 -6.758 -5.531 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.211 -4.676 -5.016 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.901 -6.670 -6.990 1.00 0.00 C ATOM 0 H ILE A 6 4.953 -6.227 -5.200 1.00 0.00 H new ATOM 0 HA ILE A 6 3.380 -3.977 -6.186 1.00 0.00 H new ATOM 0 HB ILE A 6 2.660 -5.586 -3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.195 -7.440 -5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.515 -7.190 -5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.391 -5.297 -4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.226 -3.737 -4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.070 -4.470 -6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.868 -7.664 -7.436 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.205 -6.014 -7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.911 -6.268 -7.074 1.00 0.00 H new ATOM 173 N VAL A 7 4.485 -4.139 -3.056 1.00 0.00 N ATOM 174 CA VAL A 7 4.912 -3.330 -1.920 1.00 0.00 C ATOM 175 C VAL A 7 6.102 -2.451 -2.287 1.00 0.00 C ATOM 176 O VAL A 7 6.257 -1.349 -1.764 1.00 0.00 O ATOM 177 CB VAL A 7 5.291 -4.211 -0.715 1.00 0.00 C ATOM 178 CG1 VAL A 7 4.112 -5.073 -0.290 1.00 0.00 C ATOM 179 CG2 VAL A 7 6.500 -5.074 -1.045 1.00 0.00 C ATOM 0 H VAL A 7 4.490 -5.144 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 7 4.068 -2.697 -1.647 1.00 0.00 H new ATOM 0 HB VAL A 7 5.554 -3.560 0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.400 -5.688 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.276 -4.433 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.815 -5.717 -1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.754 -5.690 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.267 -5.717 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.346 -4.434 -1.296 1.00 0.00 H new ATOM 189 N GLU A 8 6.941 -2.948 -3.192 1.00 0.00 N ATOM 190 CA GLU A 8 8.118 -2.207 -3.629 1.00 0.00 C ATOM 191 C GLU A 8 7.724 -0.851 -4.207 1.00 0.00 C ATOM 192 O GLU A 8 8.381 0.158 -3.956 1.00 0.00 O ATOM 193 CB GLU A 8 8.896 -3.011 -4.672 1.00 0.00 C ATOM 194 CG GLU A 8 9.738 -4.128 -4.076 1.00 0.00 C ATOM 195 CD GLU A 8 10.841 -3.609 -3.175 1.00 0.00 C ATOM 196 OE1 GLU A 8 11.893 -3.194 -3.705 1.00 0.00 O ATOM 197 OE2 GLU A 8 10.653 -3.618 -1.940 1.00 0.00 O ATOM 0 H GLU A 8 6.827 -3.859 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 8 8.754 -2.041 -2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.193 -3.439 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.545 -2.335 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.095 -4.799 -3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.178 -4.716 -4.882 1.00 0.00 H new ATOM 204 N ASN A 9 6.645 -0.836 -4.984 1.00 0.00 N ATOM 205 CA ASN A 9 6.163 0.395 -5.599 1.00 0.00 C ATOM 206 C ASN A 9 5.940 1.477 -4.548 1.00 0.00 C ATOM 207 O ASN A 9 6.182 2.659 -4.796 1.00 0.00 O ATOM 208 CB ASN A 9 4.862 0.133 -6.362 1.00 0.00 C ATOM 209 CG ASN A 9 5.095 -0.612 -7.662 1.00 0.00 C ATOM 210 OD1 ASN A 9 4.468 -1.639 -7.923 1.00 0.00 O ATOM 211 ND2 ASN A 9 5.999 -0.096 -8.486 1.00 0.00 N ATOM 0 H ASN A 9 6.088 -1.662 -5.202 1.00 0.00 H new ATOM 0 HA ASN A 9 6.923 0.744 -6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.184 -0.444 -5.732 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.370 1.083 -6.573 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.197 -0.553 -9.376 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.495 0.757 -8.229 1.00 0.00 H new ATOM 218 N VAL A 10 5.476 1.066 -3.372 1.00 0.00 N ATOM 219 CA VAL A 10 5.222 2.000 -2.281 1.00 0.00 C ATOM 220 C VAL A 10 6.459 2.837 -1.975 1.00 0.00 C ATOM 221 O VAL A 10 6.388 4.064 -1.894 1.00 0.00 O ATOM 222 CB VAL A 10 4.785 1.263 -1.001 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.505 2.254 0.117 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.564 0.398 -1.276 1.00 0.00 C ATOM 0 H VAL A 10 5.268 0.092 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 10 4.415 2.656 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 10 5.599 0.612 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.198 1.715 1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.408 2.827 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.709 2.932 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.269 -0.116 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.743 1.027 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.805 -0.338 -2.044 1.00 0.00 H new ATOM 234 N LYS A 11 7.593 2.166 -1.806 1.00 0.00 N ATOM 235 CA LYS A 11 8.848 2.847 -1.510 1.00 0.00 C ATOM 236 C LYS A 11 9.150 3.913 -2.559 1.00 0.00 C ATOM 237 O LYS A 11 9.701 4.969 -2.245 1.00 0.00 O ATOM 238 CB LYS A 11 9.997 1.838 -1.448 1.00 0.00 C ATOM 239 CG LYS A 11 9.795 0.750 -0.408 1.00 0.00 C ATOM 240 CD LYS A 11 9.278 1.319 0.903 1.00 0.00 C ATOM 241 CE LYS A 11 9.491 0.349 2.055 1.00 0.00 C ATOM 242 NZ LYS A 11 8.970 0.891 3.340 1.00 0.00 N ATOM 0 H LYS A 11 7.669 1.151 -1.869 1.00 0.00 H new ATOM 0 HA LYS A 11 8.748 3.335 -0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.116 1.375 -2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.924 2.369 -1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.090 0.010 -0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.738 0.232 -0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.787 2.259 1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.216 1.546 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.994 -0.595 1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.555 0.134 2.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.134 0.200 4.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.461 1.779 3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.950 1.073 3.252 1.00 0.00 H new ATOM 256 N LEU A 12 8.783 3.631 -3.804 1.00 0.00 N ATOM 257 CA LEU A 12 9.013 4.566 -4.900 1.00 0.00 C ATOM 258 C LEU A 12 8.093 5.777 -4.784 1.00 0.00 C ATOM 259 O LEU A 12 8.524 6.915 -4.965 1.00 0.00 O ATOM 260 CB LEU A 12 8.793 3.871 -6.245 1.00 0.00 C ATOM 261 CG LEU A 12 9.074 4.713 -7.489 1.00 0.00 C ATOM 262 CD1 LEU A 12 7.942 5.699 -7.733 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.401 5.445 -7.350 1.00 0.00 C ATOM 0 H LEU A 12 8.325 2.762 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 12 10.046 4.910 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.425 2.984 -6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.759 3.528 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 12 9.139 4.046 -8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.160 6.290 -8.623 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.010 5.154 -7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.845 6.361 -6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.584 6.039 -8.245 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.365 6.101 -6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.205 4.720 -7.225 1.00 0.00 H new ATOM 275 N ALA A 13 6.825 5.523 -4.480 1.00 0.00 N ATOM 276 CA ALA A 13 5.845 6.592 -4.336 1.00 0.00 C ATOM 277 C ALA A 13 6.165 7.471 -3.132 1.00 0.00 C ATOM 278 O ALA A 13 6.242 8.695 -3.248 1.00 0.00 O ATOM 279 CB ALA A 13 4.444 6.011 -4.210 1.00 0.00 C ATOM 0 H ALA A 13 6.452 4.586 -4.329 1.00 0.00 H new ATOM 0 HA ALA A 13 5.889 7.214 -5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.722 6.821 -4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.209 5.431 -5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.396 5.364 -3.334 1.00 0.00 H new ATOM 285 N ARG A 14 6.349 6.841 -1.977 1.00 0.00 N ATOM 286 CA ARG A 14 6.659 7.567 -0.751 1.00 0.00 C ATOM 287 C ARG A 14 7.856 8.492 -0.954 1.00 0.00 C ATOM 288 O ARG A 14 7.933 9.563 -0.355 1.00 0.00 O ATOM 289 CB ARG A 14 6.946 6.587 0.389 1.00 0.00 C ATOM 290 CG ARG A 14 6.606 7.136 1.764 1.00 0.00 C ATOM 291 CD ARG A 14 7.771 7.914 2.357 1.00 0.00 C ATOM 292 NE ARG A 14 7.365 8.714 3.510 1.00 0.00 N ATOM 293 CZ ARG A 14 8.210 9.148 4.438 1.00 0.00 C ATOM 294 NH1 ARG A 14 9.501 8.860 4.350 1.00 0.00 N ATOM 295 NH2 ARG A 14 7.764 9.871 5.457 1.00 0.00 N ATOM 0 H ARG A 14 6.289 5.829 -1.864 1.00 0.00 H new ATOM 0 HA ARG A 14 5.792 8.174 -0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.378 5.672 0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.001 6.315 0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.733 7.785 1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.339 6.315 2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.556 7.219 2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.196 8.567 1.595 1.00 0.00 H new ATOM 0 HE ARG A 14 6.378 8.952 3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.847 8.304 3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.148 9.195 5.064 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.771 10.094 5.528 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.414 10.204 6.169 1.00 0.00 H new ATOM 309 N GLU A 15 8.787 8.068 -1.804 1.00 0.00 N ATOM 310 CA GLU A 15 9.980 8.858 -2.085 1.00 0.00 C ATOM 311 C GLU A 15 9.626 10.116 -2.874 1.00 0.00 C ATOM 312 O GLU A 15 10.223 11.174 -2.676 1.00 0.00 O ATOM 313 CB GLU A 15 10.999 8.024 -2.863 1.00 0.00 C ATOM 314 CG GLU A 15 12.362 8.685 -2.982 1.00 0.00 C ATOM 315 CD GLU A 15 13.487 7.679 -3.136 1.00 0.00 C ATOM 316 OE1 GLU A 15 13.420 6.611 -2.494 1.00 0.00 O ATOM 317 OE2 GLU A 15 14.434 7.961 -3.901 1.00 0.00 O ATOM 0 H GLU A 15 8.738 7.183 -2.309 1.00 0.00 H new ATOM 0 HA GLU A 15 10.419 9.158 -1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.115 7.057 -2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.610 7.830 -3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.362 9.358 -3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.544 9.296 -2.098 1.00 0.00 H new ATOM 324 N TYR A 16 8.653 9.990 -3.770 1.00 0.00 N ATOM 325 CA TYR A 16 8.222 11.115 -4.592 1.00 0.00 C ATOM 326 C TYR A 16 7.472 12.146 -3.753 1.00 0.00 C ATOM 327 O TYR A 16 7.598 13.350 -3.972 1.00 0.00 O ATOM 328 CB TYR A 16 7.331 10.626 -5.735 1.00 0.00 C ATOM 329 CG TYR A 16 8.099 9.977 -6.865 1.00 0.00 C ATOM 330 CD1 TYR A 16 9.154 9.111 -6.607 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.767 10.229 -8.190 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.858 8.516 -7.636 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.465 9.638 -9.226 1.00 0.00 C ATOM 334 CZ TYR A 16 9.509 8.783 -8.944 1.00 0.00 C ATOM 335 OH TYR A 16 10.207 8.192 -9.972 1.00 0.00 O ATOM 0 H TYR A 16 8.148 9.121 -3.945 1.00 0.00 H new ATOM 0 HA TYR A 16 9.110 11.589 -5.010 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.608 9.912 -5.341 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.764 11.469 -6.129 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.429 8.899 -5.584 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.950 10.898 -8.414 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.677 7.846 -7.418 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.194 9.845 -10.251 1.00 0.00 H new ATOM 0 HH TYR A 16 9.835 8.484 -10.830 1.00 0.00 H new ATOM 345 N ALA A 17 6.692 11.663 -2.792 1.00 0.00 N ATOM 346 CA ALA A 17 5.923 12.542 -1.919 1.00 0.00 C ATOM 347 C ALA A 17 6.832 13.534 -1.201 1.00 0.00 C ATOM 348 O ALA A 17 6.499 14.712 -1.068 1.00 0.00 O ATOM 349 CB ALA A 17 5.132 11.722 -0.910 1.00 0.00 C ATOM 0 H ALA A 17 6.576 10.668 -2.598 1.00 0.00 H new ATOM 0 HA ALA A 17 5.226 13.109 -2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.562 12.391 -0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.448 11.057 -1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.818 11.130 -0.304 1.00 0.00 H new ATOM 355 N LEU A 18 7.980 13.050 -0.739 1.00 0.00 N ATOM 356 CA LEU A 18 8.937 13.895 -0.033 1.00 0.00 C ATOM 357 C LEU A 18 9.644 14.841 -0.999 1.00 0.00 C ATOM 358 O LEU A 18 9.664 16.055 -0.792 1.00 0.00 O ATOM 359 CB LEU A 18 9.967 13.031 0.698 1.00 0.00 C ATOM 360 CG LEU A 18 9.428 11.765 1.365 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.424 11.235 2.386 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.083 12.039 2.022 1.00 0.00 C ATOM 0 H LEU A 18 8.271 12.078 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 18 8.389 14.492 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.740 12.742 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.449 13.643 1.461 1.00 0.00 H new ATOM 0 HG LEU A 18 9.286 11.005 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.024 10.334 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.365 11.000 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.598 11.991 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.715 11.127 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.199 12.815 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.370 12.372 1.267 1.00 0.00 H new ATOM 374 N LEU A 19 10.221 14.278 -2.054 1.00 0.00 N ATOM 375 CA LEU A 19 10.928 15.071 -3.054 1.00 0.00 C ATOM 376 C LEU A 19 10.106 16.290 -3.461 1.00 0.00 C ATOM 377 O LEU A 19 10.655 17.316 -3.862 1.00 0.00 O ATOM 378 CB LEU A 19 11.239 14.217 -4.285 1.00 0.00 C ATOM 379 CG LEU A 19 12.576 13.476 -4.266 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.642 12.524 -3.082 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.786 12.722 -5.571 1.00 0.00 C ATOM 0 H LEU A 19 10.213 13.275 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 19 11.864 15.416 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.441 13.484 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.215 14.860 -5.164 1.00 0.00 H new ATOM 0 HG LEU A 19 13.375 14.210 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.601 12.005 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.538 13.088 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.835 11.795 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.743 12.200 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.982 11.998 -5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.784 13.427 -6.403 1.00 0.00 H new ATOM 393 N GLY A 20 8.786 16.171 -3.354 1.00 0.00 N ATOM 394 CA GLY A 20 7.911 17.271 -3.712 1.00 0.00 C ATOM 395 C GLY A 20 6.830 16.857 -4.692 1.00 0.00 C ATOM 396 O GLY A 20 5.930 17.636 -4.999 1.00 0.00 O ATOM 0 H GLY A 20 8.307 15.332 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.446 17.670 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.503 18.075 -4.148 1.00 0.00 H new ATOM 400 N ASN A 21 6.922 15.626 -5.185 1.00 0.00 N ATOM 401 CA ASN A 21 5.945 15.110 -6.138 1.00 0.00 C ATOM 402 C ASN A 21 4.977 14.148 -5.457 1.00 0.00 C ATOM 403 O ASN A 21 5.271 12.963 -5.300 1.00 0.00 O ATOM 404 CB ASN A 21 6.655 14.404 -7.295 1.00 0.00 C ATOM 405 CG ASN A 21 5.849 14.444 -8.578 1.00 0.00 C ATOM 406 OD1 ASN A 21 4.529 14.521 -8.446 1.00 0.00 O flip ATOM 407 ND2 ASN A 21 6.405 14.406 -9.676 1.00 0.00 N flip ATOM 0 H ASN A 21 7.662 14.968 -4.941 1.00 0.00 H new ATOM 0 HA ASN A 21 5.376 15.953 -6.530 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.624 14.873 -7.463 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.846 13.366 -7.021 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.422 14.347 -9.731 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.849 14.434 -10.531 1.00 0.00 H new ATOM 414 N TYR A 22 3.821 14.666 -5.056 1.00 0.00 N ATOM 415 CA TYR A 22 2.810 13.853 -4.390 1.00 0.00 C ATOM 416 C TYR A 22 1.851 13.238 -5.405 1.00 0.00 C ATOM 417 O TYR A 22 1.448 12.082 -5.275 1.00 0.00 O ATOM 418 CB TYR A 22 2.030 14.698 -3.382 1.00 0.00 C ATOM 419 CG TYR A 22 2.893 15.670 -2.610 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.263 16.891 -3.163 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.340 15.369 -1.330 1.00 0.00 C ATOM 422 CE1 TYR A 22 4.052 17.782 -2.462 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.128 16.255 -0.621 1.00 0.00 C ATOM 424 CZ TYR A 22 4.482 17.460 -1.191 1.00 0.00 C ATOM 425 OH TYR A 22 5.268 18.344 -0.489 1.00 0.00 O ATOM 0 H TYR A 22 3.561 15.644 -5.180 1.00 0.00 H new ATOM 0 HA TYR A 22 3.318 13.046 -3.862 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.254 15.253 -3.909 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.525 14.036 -2.679 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.928 17.147 -4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.067 14.426 -0.881 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.331 18.726 -2.906 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.465 16.005 0.374 1.00 0.00 H new ATOM 0 HH TYR A 22 5.483 17.965 0.389 1.00 0.00 H new ATOM 435 N ASP A 23 1.489 14.020 -6.416 1.00 0.00 N ATOM 436 CA ASP A 23 0.579 13.554 -7.456 1.00 0.00 C ATOM 437 C ASP A 23 1.048 12.221 -8.032 1.00 0.00 C ATOM 438 O ASP A 23 0.239 11.340 -8.322 1.00 0.00 O ATOM 439 CB ASP A 23 0.467 14.595 -8.571 1.00 0.00 C ATOM 440 CG ASP A 23 -0.767 14.396 -9.428 1.00 0.00 C ATOM 441 OD1 ASP A 23 -1.874 14.287 -8.858 1.00 0.00 O ATOM 442 OD2 ASP A 23 -0.628 14.350 -10.667 1.00 0.00 O ATOM 0 H ASP A 23 1.812 14.980 -6.538 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.403 13.409 -7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.444 15.592 -8.132 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.355 14.545 -9.201 1.00 0.00 H new ATOM 447 N SER A 24 2.360 12.083 -8.195 1.00 0.00 N ATOM 448 CA SER A 24 2.937 10.860 -8.741 1.00 0.00 C ATOM 449 C SER A 24 2.833 9.715 -7.738 1.00 0.00 C ATOM 450 O SER A 24 2.762 8.547 -8.117 1.00 0.00 O ATOM 451 CB SER A 24 4.401 11.087 -9.123 1.00 0.00 C ATOM 452 OG SER A 24 4.921 9.978 -9.834 1.00 0.00 O ATOM 0 H SER A 24 3.043 12.802 -7.957 1.00 0.00 H new ATOM 0 HA SER A 24 2.374 10.590 -9.634 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.485 11.986 -9.733 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.993 11.256 -8.223 1.00 0.00 H new ATOM 0 HG SER A 24 5.842 9.808 -9.546 1.00 0.00 H new ATOM 458 N ALA A 25 2.826 10.060 -6.454 1.00 0.00 N ATOM 459 CA ALA A 25 2.729 9.063 -5.395 1.00 0.00 C ATOM 460 C ALA A 25 1.316 8.496 -5.303 1.00 0.00 C ATOM 461 O ALA A 25 1.129 7.319 -4.997 1.00 0.00 O ATOM 462 CB ALA A 25 3.146 9.667 -4.062 1.00 0.00 C ATOM 0 H ALA A 25 2.886 11.023 -6.122 1.00 0.00 H new ATOM 0 HA ALA A 25 3.406 8.244 -5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.069 8.911 -3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.176 10.017 -4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.492 10.506 -3.822 1.00 0.00 H new ATOM 468 N MET A 26 0.326 9.342 -5.568 1.00 0.00 N ATOM 469 CA MET A 26 -1.070 8.923 -5.515 1.00 0.00 C ATOM 470 C MET A 26 -1.348 7.826 -6.538 1.00 0.00 C ATOM 471 O MET A 26 -1.806 6.738 -6.188 1.00 0.00 O ATOM 472 CB MET A 26 -1.993 10.117 -5.766 1.00 0.00 C ATOM 473 CG MET A 26 -1.800 11.253 -4.775 1.00 0.00 C ATOM 474 SD MET A 26 -1.747 10.682 -3.066 1.00 0.00 S ATOM 475 CE MET A 26 -0.015 10.256 -2.905 1.00 0.00 C ATOM 0 H MET A 26 0.464 10.320 -5.821 1.00 0.00 H new ATOM 0 HA MET A 26 -1.266 8.525 -4.520 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.821 10.493 -6.775 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.029 9.780 -5.723 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.874 11.779 -5.007 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.612 11.971 -4.889 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.211 10.038 -1.861 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.202 9.378 -3.514 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.598 11.092 -3.242 1.00 0.00 H new ATOM 485 N VAL A 27 -1.070 8.120 -7.804 1.00 0.00 N ATOM 486 CA VAL A 27 -1.289 7.158 -8.878 1.00 0.00 C ATOM 487 C VAL A 27 -0.604 5.830 -8.575 1.00 0.00 C ATOM 488 O VAL A 27 -1.153 4.761 -8.844 1.00 0.00 O ATOM 489 CB VAL A 27 -0.772 7.694 -10.226 1.00 0.00 C ATOM 490 CG1 VAL A 27 -1.062 9.182 -10.355 1.00 0.00 C ATOM 491 CG2 VAL A 27 0.717 7.418 -10.373 1.00 0.00 C ATOM 0 H VAL A 27 -0.693 9.016 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.365 7.001 -8.947 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.295 7.175 -11.029 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.690 9.543 -11.314 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.137 9.349 -10.297 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.567 9.721 -9.547 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.066 7.803 -11.331 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.260 7.909 -9.565 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.894 6.343 -10.328 1.00 0.00 H new ATOM 501 N TYR A 28 0.597 5.906 -8.013 1.00 0.00 N ATOM 502 CA TYR A 28 1.359 4.709 -7.675 1.00 0.00 C ATOM 503 C TYR A 28 0.717 3.967 -6.507 1.00 0.00 C ATOM 504 O TYR A 28 0.508 2.755 -6.566 1.00 0.00 O ATOM 505 CB TYR A 28 2.802 5.079 -7.328 1.00 0.00 C ATOM 506 CG TYR A 28 3.738 5.048 -8.515 1.00 0.00 C ATOM 507 CD1 TYR A 28 3.658 6.012 -9.513 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.702 4.055 -8.639 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.511 5.986 -10.600 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.559 4.022 -9.721 1.00 0.00 C ATOM 511 CZ TYR A 28 5.459 4.990 -10.699 1.00 0.00 C ATOM 512 OH TYR A 28 6.311 4.962 -11.780 1.00 0.00 O ATOM 0 H TYR A 28 1.064 6.783 -7.782 1.00 0.00 H new ATOM 0 HA TYR A 28 1.359 4.051 -8.544 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.817 6.077 -6.890 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.171 4.392 -6.567 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.917 6.794 -9.438 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.782 3.295 -7.875 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.435 6.742 -11.368 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.303 3.243 -9.801 1.00 0.00 H new ATOM 0 HH TYR A 28 6.919 4.198 -11.698 1.00 0.00 H new ATOM 522 N TYR A 29 0.406 4.703 -5.446 1.00 0.00 N ATOM 523 CA TYR A 29 -0.210 4.116 -4.262 1.00 0.00 C ATOM 524 C TYR A 29 -1.485 3.363 -4.629 1.00 0.00 C ATOM 525 O TYR A 29 -1.643 2.189 -4.295 1.00 0.00 O ATOM 526 CB TYR A 29 -0.524 5.203 -3.233 1.00 0.00 C ATOM 527 CG TYR A 29 0.597 5.448 -2.249 1.00 0.00 C ATOM 528 CD1 TYR A 29 1.038 4.438 -1.403 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.216 6.689 -2.165 1.00 0.00 C ATOM 530 CE1 TYR A 29 2.062 4.657 -0.502 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.242 6.917 -1.269 1.00 0.00 C ATOM 532 CZ TYR A 29 2.661 5.898 -0.439 1.00 0.00 C ATOM 533 OH TYR A 29 3.682 6.122 0.457 1.00 0.00 O ATOM 0 H TYR A 29 0.570 5.708 -5.382 1.00 0.00 H new ATOM 0 HA TYR A 29 0.496 3.408 -3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.747 6.133 -3.756 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.423 4.923 -2.684 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.572 3.465 -1.451 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.889 7.490 -2.812 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.392 3.861 0.149 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.713 7.887 -1.218 1.00 0.00 H new ATOM 0 HH TYR A 29 3.994 7.047 0.372 1.00 0.00 H new ATOM 543 N GLN A 30 -2.392 4.048 -5.318 1.00 0.00 N ATOM 544 CA GLN A 30 -3.654 3.445 -5.731 1.00 0.00 C ATOM 545 C GLN A 30 -3.414 2.127 -6.461 1.00 0.00 C ATOM 546 O GLN A 30 -4.212 1.196 -6.360 1.00 0.00 O ATOM 547 CB GLN A 30 -4.433 4.406 -6.630 1.00 0.00 C ATOM 548 CG GLN A 30 -5.869 3.975 -6.882 1.00 0.00 C ATOM 549 CD GLN A 30 -6.712 3.990 -5.622 1.00 0.00 C ATOM 550 OE1 GLN A 30 -6.924 5.041 -5.016 1.00 0.00 O ATOM 551 NE2 GLN A 30 -7.198 2.822 -5.220 1.00 0.00 N ATOM 0 H GLN A 30 -2.277 5.021 -5.602 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.241 3.241 -4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.434 5.396 -6.174 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.916 4.496 -7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.318 4.636 -7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.874 2.971 -7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.997 1.976 -5.753 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.772 2.771 -4.378 1.00 0.00 H new ATOM 560 N GLY A 31 -2.309 2.057 -7.197 1.00 0.00 N ATOM 561 CA GLY A 31 -1.985 0.850 -7.934 1.00 0.00 C ATOM 562 C GLY A 31 -1.527 -0.277 -7.029 1.00 0.00 C ATOM 563 O GLY A 31 -1.942 -1.424 -7.194 1.00 0.00 O ATOM 0 H GLY A 31 -1.633 2.814 -7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.860 0.526 -8.498 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.202 1.070 -8.660 1.00 0.00 H new ATOM 567 N VAL A 32 -0.666 0.050 -6.070 1.00 0.00 N ATOM 568 CA VAL A 32 -0.151 -0.943 -5.135 1.00 0.00 C ATOM 569 C VAL A 32 -1.280 -1.591 -4.343 1.00 0.00 C ATOM 570 O VAL A 32 -1.357 -2.816 -4.237 1.00 0.00 O ATOM 571 CB VAL A 32 0.858 -0.319 -4.153 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.327 -1.352 -3.140 1.00 0.00 C ATOM 573 CG2 VAL A 32 2.039 0.274 -4.908 1.00 0.00 C ATOM 0 H VAL A 32 -0.311 0.994 -5.921 1.00 0.00 H new ATOM 0 HA VAL A 32 0.355 -1.704 -5.729 1.00 0.00 H new ATOM 0 HB VAL A 32 0.361 0.486 -3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.039 -0.892 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.471 -1.725 -2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.807 -2.180 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.742 0.711 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.538 -0.510 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.684 1.047 -5.590 1.00 0.00 H new ATOM 583 N LEU A 33 -2.157 -0.762 -3.788 1.00 0.00 N ATOM 584 CA LEU A 33 -3.285 -1.253 -3.004 1.00 0.00 C ATOM 585 C LEU A 33 -4.215 -2.105 -3.863 1.00 0.00 C ATOM 586 O LEU A 33 -4.617 -3.198 -3.463 1.00 0.00 O ATOM 587 CB LEU A 33 -4.062 -0.081 -2.401 1.00 0.00 C ATOM 588 CG LEU A 33 -3.269 0.845 -1.478 1.00 0.00 C ATOM 589 CD1 LEU A 33 -3.875 2.240 -1.473 1.00 0.00 C ATOM 590 CD2 LEU A 33 -3.219 0.278 -0.067 1.00 0.00 C ATOM 0 H LEU A 33 -2.109 0.254 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.893 -1.874 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.472 0.515 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.908 -0.481 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.249 0.915 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.298 2.885 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.857 2.648 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.905 2.188 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.651 0.951 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.233 0.177 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.738 -0.700 -0.085 1.00 0.00 H new ATOM 602 N ASP A 34 -4.550 -1.599 -5.044 1.00 0.00 N ATOM 603 CA ASP A 34 -5.429 -2.315 -5.961 1.00 0.00 C ATOM 604 C ASP A 34 -4.865 -3.693 -6.290 1.00 0.00 C ATOM 605 O ASP A 34 -5.596 -4.684 -6.311 1.00 0.00 O ATOM 606 CB ASP A 34 -5.624 -1.510 -7.247 1.00 0.00 C ATOM 607 CG ASP A 34 -6.430 -0.246 -7.023 1.00 0.00 C ATOM 608 OD1 ASP A 34 -6.462 0.242 -5.873 1.00 0.00 O ATOM 609 OD2 ASP A 34 -7.029 0.256 -7.996 1.00 0.00 O ATOM 0 H ASP A 34 -4.226 -0.695 -5.389 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.395 -2.445 -5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.650 -1.248 -7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.127 -2.131 -7.988 1.00 0.00 H new ATOM 614 N GLN A 35 -3.562 -3.748 -6.545 1.00 0.00 N ATOM 615 CA GLN A 35 -2.901 -5.006 -6.875 1.00 0.00 C ATOM 616 C GLN A 35 -2.742 -5.878 -5.634 1.00 0.00 C ATOM 617 O GLN A 35 -2.820 -7.104 -5.711 1.00 0.00 O ATOM 618 CB GLN A 35 -1.533 -4.738 -7.503 1.00 0.00 C ATOM 619 CG GLN A 35 -1.606 -3.990 -8.825 1.00 0.00 C ATOM 620 CD GLN A 35 -1.965 -4.894 -9.987 1.00 0.00 C ATOM 621 OE1 GLN A 35 -1.092 -5.497 -10.613 1.00 0.00 O ATOM 622 NE2 GLN A 35 -3.256 -4.994 -10.283 1.00 0.00 N ATOM 0 H GLN A 35 -2.943 -2.937 -6.530 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.524 -5.538 -7.594 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.927 -4.163 -6.803 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.022 -5.688 -7.660 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.346 -3.193 -8.747 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.645 -3.514 -9.023 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.946 -4.477 -9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.558 -5.588 -11.055 1.00 0.00 H new ATOM 631 N MET A 36 -2.518 -5.238 -4.491 1.00 0.00 N ATOM 632 CA MET A 36 -2.349 -5.957 -3.233 1.00 0.00 C ATOM 633 C MET A 36 -3.551 -6.853 -2.953 1.00 0.00 C ATOM 634 O MET A 36 -3.399 -8.042 -2.677 1.00 0.00 O ATOM 635 CB MET A 36 -2.154 -4.970 -2.080 1.00 0.00 C ATOM 636 CG MET A 36 -0.707 -4.552 -1.876 1.00 0.00 C ATOM 637 SD MET A 36 0.184 -5.656 -0.763 1.00 0.00 S ATOM 638 CE MET A 36 -0.751 -5.440 0.749 1.00 0.00 C ATOM 0 H MET A 36 -2.449 -4.224 -4.410 1.00 0.00 H new ATOM 0 HA MET A 36 -1.462 -6.585 -3.318 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.757 -4.082 -2.267 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.527 -5.420 -1.160 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.200 -4.528 -2.841 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.679 -3.538 -1.476 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.065 -5.301 1.584 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.393 -4.564 0.658 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.365 -6.323 0.927 1.00 0.00 H new ATOM 648 N ASN A 37 -4.745 -6.274 -3.027 1.00 0.00 N ATOM 649 CA ASN A 37 -5.973 -7.022 -2.780 1.00 0.00 C ATOM 650 C ASN A 37 -6.047 -8.257 -3.673 1.00 0.00 C ATOM 651 O ASN A 37 -6.293 -9.366 -3.198 1.00 0.00 O ATOM 652 CB ASN A 37 -7.194 -6.131 -3.021 1.00 0.00 C ATOM 653 CG ASN A 37 -7.651 -5.424 -1.760 1.00 0.00 C ATOM 654 OD1 ASN A 37 -7.519 -5.952 -0.656 1.00 0.00 O ATOM 655 ND2 ASN A 37 -8.193 -4.222 -1.919 1.00 0.00 N ATOM 0 H ASN A 37 -4.889 -5.290 -3.256 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.968 -7.348 -1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.955 -5.390 -3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.012 -6.737 -3.411 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.520 -3.698 -1.107 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.283 -3.823 -2.853 1.00 0.00 H new ATOM 662 N LYS A 38 -5.831 -8.057 -4.968 1.00 0.00 N ATOM 663 CA LYS A 38 -5.870 -9.153 -5.929 1.00 0.00 C ATOM 664 C LYS A 38 -4.969 -10.300 -5.483 1.00 0.00 C ATOM 665 O LYS A 38 -5.248 -11.467 -5.762 1.00 0.00 O ATOM 666 CB LYS A 38 -5.441 -8.662 -7.313 1.00 0.00 C ATOM 667 CG LYS A 38 -6.265 -7.494 -7.826 1.00 0.00 C ATOM 668 CD LYS A 38 -5.652 -6.884 -9.076 1.00 0.00 C ATOM 669 CE LYS A 38 -6.385 -5.620 -9.497 1.00 0.00 C ATOM 670 NZ LYS A 38 -6.296 -5.391 -10.966 1.00 0.00 N ATOM 0 H LYS A 38 -5.627 -7.145 -5.377 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.895 -9.519 -5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.392 -8.367 -7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.515 -9.487 -8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.278 -7.831 -8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.342 -6.733 -7.049 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.603 -6.653 -8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.681 -7.610 -9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.432 -5.693 -9.203 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.965 -4.764 -8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.155 -4.377 -11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.494 -5.928 -11.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.176 -5.707 -11.421 1.00 0.00 H new ATOM 684 N TYR A 39 -3.888 -9.962 -4.789 1.00 0.00 N ATOM 685 CA TYR A 39 -2.946 -10.963 -4.305 1.00 0.00 C ATOM 686 C TYR A 39 -3.532 -11.741 -3.131 1.00 0.00 C ATOM 687 O TYR A 39 -3.565 -12.972 -3.141 1.00 0.00 O ATOM 688 CB TYR A 39 -1.633 -10.298 -3.887 1.00 0.00 C ATOM 689 CG TYR A 39 -0.576 -11.279 -3.430 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.711 -11.968 -2.231 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.556 -11.517 -4.199 1.00 0.00 C ATOM 692 CE1 TYR A 39 0.253 -12.864 -1.810 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.524 -12.413 -3.787 1.00 0.00 C ATOM 694 CZ TYR A 39 1.368 -13.083 -2.592 1.00 0.00 C ATOM 695 OH TYR A 39 2.329 -13.976 -2.177 1.00 0.00 O ATOM 0 H TYR A 39 -3.643 -9.001 -4.549 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.749 -11.662 -5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.244 -9.722 -4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.834 -9.591 -3.082 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.584 -11.800 -1.618 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.682 -10.993 -5.135 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.134 -13.390 -0.874 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.398 -12.587 -4.397 1.00 0.00 H new ATOM 0 HH TYR A 39 3.048 -14.015 -2.842 1.00 0.00 H new ATOM 705 N LEU A 40 -3.994 -11.014 -2.120 1.00 0.00 N ATOM 706 CA LEU A 40 -4.580 -11.634 -0.937 1.00 0.00 C ATOM 707 C LEU A 40 -5.766 -12.516 -1.315 1.00 0.00 C ATOM 708 O LEU A 40 -6.026 -13.533 -0.673 1.00 0.00 O ATOM 709 CB LEU A 40 -5.025 -10.560 0.058 1.00 0.00 C ATOM 710 CG LEU A 40 -4.192 -9.279 0.080 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.602 -8.395 1.248 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.708 -9.609 0.154 1.00 0.00 C ATOM 0 H LEU A 40 -3.974 -9.994 -2.096 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.819 -12.260 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.058 -10.294 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.015 -10.993 1.058 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.377 -8.733 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.998 -7.488 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.655 -8.130 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.447 -8.933 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.130 -8.685 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.507 -10.178 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.423 -10.201 -0.716 1.00 0.00 H new ATOM 724 N TYR A 41 -6.480 -12.120 -2.363 1.00 0.00 N ATOM 725 CA TYR A 41 -7.638 -12.874 -2.827 1.00 0.00 C ATOM 726 C TYR A 41 -7.215 -14.219 -3.409 1.00 0.00 C ATOM 727 O TYR A 41 -7.992 -15.174 -3.424 1.00 0.00 O ATOM 728 CB TYR A 41 -8.408 -12.071 -3.877 1.00 0.00 C ATOM 729 CG TYR A 41 -9.895 -12.345 -3.878 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.409 -13.503 -4.447 1.00 0.00 C ATOM 731 CD2 TYR A 41 -10.787 -11.445 -3.307 1.00 0.00 C ATOM 732 CE1 TYR A 41 -11.767 -13.757 -4.451 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.147 -11.690 -3.305 1.00 0.00 C ATOM 734 CZ TYR A 41 -12.631 -12.848 -3.878 1.00 0.00 C ATOM 735 OH TYR A 41 -13.985 -13.097 -3.878 1.00 0.00 O ATOM 0 H TYR A 41 -6.277 -11.281 -2.907 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.287 -13.057 -1.971 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.243 -11.008 -3.702 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.005 -12.298 -4.864 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.735 -14.218 -4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.411 -10.538 -2.857 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.149 -14.662 -4.900 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.827 -10.980 -2.858 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.453 -12.359 -3.435 1.00 0.00 H new ATOM 745 N SER A 42 -5.977 -14.286 -3.887 1.00 0.00 N ATOM 746 CA SER A 42 -5.449 -15.513 -4.474 1.00 0.00 C ATOM 747 C SER A 42 -4.864 -16.422 -3.397 1.00 0.00 C ATOM 748 O SER A 42 -4.433 -17.540 -3.679 1.00 0.00 O ATOM 749 CB SER A 42 -4.379 -15.185 -5.517 1.00 0.00 C ATOM 750 OG SER A 42 -4.940 -14.501 -6.624 1.00 0.00 O ATOM 0 H SER A 42 -5.320 -13.506 -3.880 1.00 0.00 H new ATOM 0 HA SER A 42 -6.272 -16.037 -4.960 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.600 -14.572 -5.063 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.903 -16.105 -5.857 1.00 0.00 H new ATOM 0 HG SER A 42 -5.040 -13.551 -6.405 1.00 0.00 H new ATOM 756 N VAL A 43 -4.851 -15.932 -2.161 1.00 0.00 N ATOM 757 CA VAL A 43 -4.320 -16.699 -1.040 1.00 0.00 C ATOM 758 C VAL A 43 -5.312 -17.763 -0.584 1.00 0.00 C ATOM 759 O VAL A 43 -6.521 -17.616 -0.758 1.00 0.00 O ATOM 760 CB VAL A 43 -3.978 -15.786 0.152 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.244 -16.569 1.230 1.00 0.00 C ATOM 762 CG2 VAL A 43 -3.152 -14.595 -0.309 1.00 0.00 C ATOM 0 H VAL A 43 -5.202 -15.008 -1.911 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.408 -17.183 -1.390 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.908 -15.410 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.010 -15.908 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.875 -17.386 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.320 -16.975 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.919 -13.961 0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.225 -14.948 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.718 -14.022 -1.043 1.00 0.00 H new ATOM 772 N LYS A 44 -4.791 -18.836 0.003 1.00 0.00 N ATOM 773 CA LYS A 44 -5.630 -19.926 0.488 1.00 0.00 C ATOM 774 C LYS A 44 -5.576 -20.018 2.009 1.00 0.00 C ATOM 775 O LYS A 44 -6.437 -20.639 2.634 1.00 0.00 O ATOM 776 CB LYS A 44 -5.184 -21.253 -0.131 1.00 0.00 C ATOM 777 CG LYS A 44 -5.620 -21.427 -1.575 1.00 0.00 C ATOM 778 CD LYS A 44 -5.606 -22.889 -1.989 1.00 0.00 C ATOM 779 CE LYS A 44 -4.187 -23.400 -2.186 1.00 0.00 C ATOM 780 NZ LYS A 44 -3.620 -22.974 -3.496 1.00 0.00 N ATOM 0 H LYS A 44 -3.792 -18.974 0.154 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.658 -19.721 0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.098 -21.322 -0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.586 -22.074 0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.623 -21.021 -1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.958 -20.857 -2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.107 -23.488 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.169 -23.012 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.553 -23.032 -1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.181 -24.488 -2.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.652 -23.342 -3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.210 -23.346 -4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.601 -21.935 -3.545 1.00 0.00 H new ATOM 794 N ASP A 45 -4.561 -19.397 2.600 1.00 0.00 N ATOM 795 CA ASP A 45 -4.397 -19.408 4.049 1.00 0.00 C ATOM 796 C ASP A 45 -4.781 -18.059 4.649 1.00 0.00 C ATOM 797 O ASP A 45 -4.020 -17.094 4.574 1.00 0.00 O ATOM 798 CB ASP A 45 -2.953 -19.751 4.417 1.00 0.00 C ATOM 799 CG ASP A 45 -2.386 -20.865 3.560 1.00 0.00 C ATOM 800 OD1 ASP A 45 -3.105 -21.858 3.326 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.221 -20.744 3.123 1.00 0.00 O ATOM 0 H ASP A 45 -3.839 -18.880 2.098 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.059 -20.170 4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.332 -18.861 4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.908 -20.045 5.466 1.00 0.00 H new ATOM 806 N THR A 46 -5.969 -17.998 5.243 1.00 0.00 N ATOM 807 CA THR A 46 -6.455 -16.767 5.854 1.00 0.00 C ATOM 808 C THR A 46 -5.386 -16.129 6.732 1.00 0.00 C ATOM 809 O THR A 46 -5.285 -14.904 6.813 1.00 0.00 O ATOM 810 CB THR A 46 -7.716 -17.022 6.702 1.00 0.00 C ATOM 811 OG1 THR A 46 -7.396 -17.868 7.812 1.00 0.00 O ATOM 812 CG2 THR A 46 -8.811 -17.665 5.865 1.00 0.00 C ATOM 0 H THR A 46 -6.612 -18.787 5.314 1.00 0.00 H new ATOM 0 HA THR A 46 -6.704 -16.087 5.040 1.00 0.00 H new ATOM 0 HB THR A 46 -8.080 -16.063 7.070 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.202 -18.024 8.347 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.691 -17.835 6.486 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.072 -17.004 5.038 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.456 -18.617 5.470 1.00 0.00 H new ATOM 820 N HIS A 47 -4.588 -16.965 7.388 1.00 0.00 N ATOM 821 CA HIS A 47 -3.523 -16.482 8.260 1.00 0.00 C ATOM 822 C HIS A 47 -2.504 -15.665 7.471 1.00 0.00 C ATOM 823 O HIS A 47 -1.960 -14.680 7.973 1.00 0.00 O ATOM 824 CB HIS A 47 -2.829 -17.655 8.951 1.00 0.00 C ATOM 825 CG HIS A 47 -3.534 -18.125 10.186 1.00 0.00 C ATOM 826 ND1 HIS A 47 -4.487 -19.122 10.176 1.00 0.00 N ATOM 827 CD2 HIS A 47 -3.418 -17.731 11.476 1.00 0.00 C ATOM 828 CE1 HIS A 47 -4.929 -19.318 11.405 1.00 0.00 C ATOM 829 NE2 HIS A 47 -4.296 -18.487 12.213 1.00 0.00 N ATOM 0 H HIS A 47 -4.659 -17.981 7.332 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.971 -15.838 9.017 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.751 -18.485 8.249 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.812 -17.362 9.212 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.758 -16.965 11.855 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.680 -20.036 11.699 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.436 -18.418 13.221 1.00 0.00 H new ATOM 838 N LEU A 48 -2.249 -16.080 6.235 1.00 0.00 N ATOM 839 CA LEU A 48 -1.294 -15.387 5.377 1.00 0.00 C ATOM 840 C LEU A 48 -1.858 -14.052 4.902 1.00 0.00 C ATOM 841 O LEU A 48 -1.222 -13.009 5.053 1.00 0.00 O ATOM 842 CB LEU A 48 -0.935 -16.260 4.173 1.00 0.00 C ATOM 843 CG LEU A 48 0.266 -15.800 3.346 1.00 0.00 C ATOM 844 CD1 LEU A 48 0.578 -16.807 2.251 1.00 0.00 C ATOM 845 CD2 LEU A 48 0.007 -14.424 2.749 1.00 0.00 C ATOM 0 H LEU A 48 -2.690 -16.893 5.805 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.393 -15.193 5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.740 -17.272 4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.804 -16.314 3.517 1.00 0.00 H new ATOM 0 HG LEU A 48 1.131 -15.732 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.436 -16.462 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.808 -17.773 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.285 -16.909 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.872 -14.113 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.871 -14.466 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.166 -13.706 3.551 1.00 0.00 H new ATOM 857 N ARG A 49 -3.057 -14.092 4.328 1.00 0.00 N ATOM 858 CA ARG A 49 -3.707 -12.885 3.832 1.00 0.00 C ATOM 859 C ARG A 49 -4.077 -11.955 4.983 1.00 0.00 C ATOM 860 O ARG A 49 -4.110 -10.735 4.821 1.00 0.00 O ATOM 861 CB ARG A 49 -4.959 -13.248 3.032 1.00 0.00 C ATOM 862 CG ARG A 49 -5.705 -14.453 3.580 1.00 0.00 C ATOM 863 CD ARG A 49 -7.095 -14.571 2.976 1.00 0.00 C ATOM 864 NE ARG A 49 -7.961 -13.465 3.376 1.00 0.00 N ATOM 865 CZ ARG A 49 -9.288 -13.526 3.354 1.00 0.00 C ATOM 866 NH1 ARG A 49 -9.898 -14.633 2.954 1.00 0.00 N ATOM 867 NH2 ARG A 49 -10.008 -12.478 3.733 1.00 0.00 N ATOM 0 H ARG A 49 -3.597 -14.947 4.195 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.005 -12.365 3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.632 -12.391 3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.674 -13.447 1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.138 -15.360 3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.784 -14.371 4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.017 -14.596 1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.546 -15.514 3.285 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.523 -12.599 3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.348 -15.441 2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.917 -14.677 2.938 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.543 -11.624 4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.027 -12.526 3.716 1.00 0.00 H new ATOM 881 N GLN A 50 -4.355 -12.539 6.144 1.00 0.00 N ATOM 882 CA GLN A 50 -4.724 -11.762 7.321 1.00 0.00 C ATOM 883 C GLN A 50 -3.608 -10.796 7.707 1.00 0.00 C ATOM 884 O GLN A 50 -3.867 -9.678 8.154 1.00 0.00 O ATOM 885 CB GLN A 50 -5.038 -12.692 8.494 1.00 0.00 C ATOM 886 CG GLN A 50 -6.485 -13.155 8.533 1.00 0.00 C ATOM 887 CD GLN A 50 -6.694 -14.341 9.453 1.00 0.00 C ATOM 888 OE1 GLN A 50 -5.797 -14.724 10.204 1.00 0.00 O ATOM 889 NE2 GLN A 50 -7.883 -14.930 9.400 1.00 0.00 N ATOM 0 H GLN A 50 -4.332 -13.548 6.295 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.614 -11.182 7.078 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.387 -13.565 8.439 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.804 -12.178 9.427 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.118 -12.330 8.861 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.805 -13.421 7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.598 -14.579 8.762 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.081 -15.733 9.997 1.00 0.00 H new ATOM 898 N LYS A 51 -2.366 -11.234 7.533 1.00 0.00 N ATOM 899 CA LYS A 51 -1.210 -10.409 7.862 1.00 0.00 C ATOM 900 C LYS A 51 -1.115 -9.207 6.926 1.00 0.00 C ATOM 901 O LYS A 51 -0.865 -8.085 7.366 1.00 0.00 O ATOM 902 CB LYS A 51 0.074 -11.237 7.777 1.00 0.00 C ATOM 903 CG LYS A 51 1.310 -10.492 8.250 1.00 0.00 C ATOM 904 CD LYS A 51 1.448 -10.545 9.763 1.00 0.00 C ATOM 905 CE LYS A 51 2.387 -9.464 10.275 1.00 0.00 C ATOM 906 NZ LYS A 51 3.798 -9.936 10.331 1.00 0.00 N ATOM 0 H LYS A 51 -2.134 -12.157 7.166 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.334 -10.045 8.882 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.046 -12.141 8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.224 -11.555 6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.197 -10.926 7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.257 -9.453 7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.467 -10.424 10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.822 -11.524 10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.322 -8.590 9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.070 -9.148 11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.406 -9.170 10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.865 -10.755 10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.109 -10.213 9.378 1.00 0.00 H new ATOM 920 N TRP A 52 -1.319 -9.450 5.637 1.00 0.00 N ATOM 921 CA TRP A 52 -1.258 -8.387 4.640 1.00 0.00 C ATOM 922 C TRP A 52 -2.467 -7.465 4.753 1.00 0.00 C ATOM 923 O TRP A 52 -2.364 -6.262 4.518 1.00 0.00 O ATOM 924 CB TRP A 52 -1.184 -8.983 3.233 1.00 0.00 C ATOM 925 CG TRP A 52 0.036 -9.824 3.007 1.00 0.00 C ATOM 926 CD1 TRP A 52 0.071 -11.163 2.746 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.397 -9.380 3.024 1.00 0.00 C ATOM 928 NE1 TRP A 52 1.372 -11.580 2.599 1.00 0.00 N ATOM 929 CE2 TRP A 52 2.205 -10.505 2.765 1.00 0.00 C ATOM 930 CE3 TRP A 52 2.013 -8.143 3.231 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.594 -10.427 2.709 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.391 -8.067 3.176 1.00 0.00 C ATOM 933 CH2 TRP A 52 4.169 -9.203 2.916 1.00 0.00 C ATOM 0 H TRP A 52 -1.528 -10.373 5.257 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.359 -7.800 4.825 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.072 -9.589 3.056 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.199 -8.174 2.502 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.797 -11.801 2.667 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.669 -12.535 2.399 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.422 -7.262 3.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.196 -11.301 2.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.877 -7.116 3.336 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.244 -9.110 2.878 1.00 0.00 H new ATOM 944 N GLN A 53 -3.611 -8.038 5.112 1.00 0.00 N ATOM 945 CA GLN A 53 -4.839 -7.266 5.255 1.00 0.00 C ATOM 946 C GLN A 53 -4.646 -6.111 6.233 1.00 0.00 C ATOM 947 O GLN A 53 -4.992 -4.969 5.934 1.00 0.00 O ATOM 948 CB GLN A 53 -5.981 -8.166 5.730 1.00 0.00 C ATOM 949 CG GLN A 53 -7.337 -7.479 5.735 1.00 0.00 C ATOM 950 CD GLN A 53 -8.346 -8.185 6.619 1.00 0.00 C ATOM 951 OE1 GLN A 53 -8.299 -8.073 7.845 1.00 0.00 O ATOM 952 NE2 GLN A 53 -9.265 -8.917 6.002 1.00 0.00 N ATOM 0 H GLN A 53 -3.713 -9.034 5.309 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.093 -6.853 4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.031 -9.045 5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.759 -8.520 6.737 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.218 -6.451 6.076 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.721 -7.434 4.716 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.267 -8.982 4.984 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.970 -9.415 6.546 1.00 0.00 H new ATOM 961 N GLN A 54 -4.092 -6.418 7.402 1.00 0.00 N ATOM 962 CA GLN A 54 -3.855 -5.406 8.423 1.00 0.00 C ATOM 963 C GLN A 54 -2.890 -4.338 7.918 1.00 0.00 C ATOM 964 O GLN A 54 -3.015 -3.162 8.258 1.00 0.00 O ATOM 965 CB GLN A 54 -3.298 -6.053 9.693 1.00 0.00 C ATOM 966 CG GLN A 54 -2.077 -6.924 9.447 1.00 0.00 C ATOM 967 CD GLN A 54 -1.259 -7.150 10.703 1.00 0.00 C ATOM 968 OE1 GLN A 54 -0.557 -6.253 11.170 1.00 0.00 O ATOM 969 NE2 GLN A 54 -1.345 -8.354 11.257 1.00 0.00 N ATOM 0 H GLN A 54 -3.799 -7.359 7.665 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.808 -4.929 8.654 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.038 -5.270 10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.078 -6.658 10.155 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.397 -7.887 9.048 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.449 -6.457 8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.940 -9.068 10.836 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.817 -8.565 12.104 1.00 0.00 H new ATOM 978 N VAL A 55 -1.927 -4.756 7.102 1.00 0.00 N ATOM 979 CA VAL A 55 -0.941 -3.836 6.549 1.00 0.00 C ATOM 980 C VAL A 55 -1.554 -2.963 5.460 1.00 0.00 C ATOM 981 O VAL A 55 -1.197 -1.794 5.314 1.00 0.00 O ATOM 982 CB VAL A 55 0.267 -4.592 5.965 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.262 -3.618 5.352 1.00 0.00 C ATOM 984 CG2 VAL A 55 0.933 -5.442 7.037 1.00 0.00 C ATOM 0 H VAL A 55 -1.809 -5.726 6.810 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.603 -3.204 7.370 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.089 -5.255 5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.109 -4.171 4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.777 -3.057 4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.614 -2.928 6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.784 -5.969 6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.276 -4.801 7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.216 -6.166 7.425 1.00 0.00 H new ATOM 994 N TRP A 56 -2.479 -3.537 4.700 1.00 0.00 N ATOM 995 CA TRP A 56 -3.143 -2.811 3.624 1.00 0.00 C ATOM 996 C TRP A 56 -3.730 -1.499 4.134 1.00 0.00 C ATOM 997 O TRP A 56 -3.799 -0.514 3.400 1.00 0.00 O ATOM 998 CB TRP A 56 -4.246 -3.671 3.005 1.00 0.00 C ATOM 999 CG TRP A 56 -4.880 -3.047 1.799 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.520 -3.234 0.495 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.982 -2.133 1.786 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.333 -2.492 -0.328 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -6.238 -1.808 0.439 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.778 -1.558 2.780 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -7.256 -0.935 0.065 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.788 -0.692 2.407 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -8.020 -0.387 1.059 1.00 0.00 C ATOM 0 H TRP A 56 -2.786 -4.503 4.809 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.399 -2.582 2.861 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.829 -4.639 2.727 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -5.015 -3.858 3.755 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.715 -3.871 0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.272 -2.457 -1.346 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.607 -1.786 3.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.436 -0.699 -0.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -8.409 -0.242 3.167 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.817 0.294 0.800 1.00 0.00 H new ATOM 1018 N GLN A 57 -4.149 -1.494 5.395 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.730 -0.302 6.002 1.00 0.00 C ATOM 1020 C GLN A 57 -3.687 0.801 6.142 1.00 0.00 C ATOM 1021 O GLN A 57 -3.982 1.977 5.933 1.00 0.00 O ATOM 1022 CB GLN A 57 -5.322 -0.639 7.372 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.594 -1.468 7.299 1.00 0.00 C ATOM 1024 CD GLN A 57 -7.799 -0.652 6.877 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -8.267 -0.753 5.742 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -8.310 0.165 7.791 1.00 0.00 N ATOM 0 H GLN A 57 -4.097 -2.301 6.016 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.525 0.057 5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.578 -1.181 7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.533 0.288 7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.450 -2.287 6.594 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.787 -1.917 8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.891 0.218 8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.122 0.740 7.565 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.466 0.412 6.498 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.379 1.370 6.667 1.00 0.00 C ATOM 1037 C GLU A 58 -1.081 2.091 5.356 1.00 0.00 C ATOM 1038 O GLU A 58 -1.011 3.320 5.313 1.00 0.00 O ATOM 1039 CB GLU A 58 -0.120 0.662 7.171 1.00 0.00 C ATOM 1040 CG GLU A 58 -0.234 0.162 8.601 1.00 0.00 C ATOM 1041 CD GLU A 58 1.113 0.052 9.290 1.00 0.00 C ATOM 1042 OE1 GLU A 58 1.990 -0.665 8.764 1.00 0.00 O ATOM 1043 OE2 GLU A 58 1.290 0.681 10.353 1.00 0.00 O ATOM 0 H GLU A 58 -2.205 -0.558 6.675 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.691 2.109 7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.099 -0.182 6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.725 1.347 7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.874 0.838 9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.720 -0.814 8.603 1.00 0.00 H new ATOM 1050 N ILE A 59 -0.905 1.318 4.289 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.614 1.883 2.977 1.00 0.00 C ATOM 1052 C ILE A 59 -1.672 2.903 2.571 1.00 0.00 C ATOM 1053 O ILE A 59 -1.361 3.927 1.965 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.532 0.787 1.899 1.00 0.00 C ATOM 1055 CG1 ILE A 59 0.592 -0.198 2.225 1.00 0.00 C ATOM 1056 CG2 ILE A 59 -0.317 1.409 0.527 1.00 0.00 C ATOM 1057 CD1 ILE A 59 0.566 -1.449 1.375 1.00 0.00 C ATOM 0 H ILE A 59 -0.959 0.300 4.308 1.00 0.00 H new ATOM 0 HA ILE A 59 0.354 2.379 3.054 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.475 0.241 1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.552 0.302 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.523 -0.481 3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.261 0.622 -0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.149 2.074 0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.613 1.977 0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.391 -2.101 1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.378 -1.972 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.666 -1.177 0.324 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.925 2.615 2.910 1.00 0.00 N ATOM 1070 CA ASN A 60 -4.030 3.508 2.582 1.00 0.00 C ATOM 1071 C ASN A 60 -3.907 4.827 3.338 1.00 0.00 C ATOM 1072 O ASN A 60 -4.196 5.895 2.797 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.367 2.841 2.912 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.447 3.849 3.255 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -6.896 4.610 2.398 1.00 0.00 O ATOM 1076 ND2 ASN A 60 -6.869 3.860 4.514 1.00 0.00 N ATOM 0 H ASN A 60 -3.200 1.770 3.412 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.990 3.718 1.513 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.691 2.241 2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.232 2.158 3.751 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.593 4.517 4.803 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.469 3.211 5.192 1.00 0.00 H new ATOM 1083 N VAL A 61 -3.474 4.746 4.592 1.00 0.00 N ATOM 1084 CA VAL A 61 -3.310 5.934 5.422 1.00 0.00 C ATOM 1085 C VAL A 61 -2.186 6.820 4.898 1.00 0.00 C ATOM 1086 O VAL A 61 -2.366 8.023 4.715 1.00 0.00 O ATOM 1087 CB VAL A 61 -3.012 5.558 6.886 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -2.600 6.788 7.680 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.221 4.885 7.519 1.00 0.00 C ATOM 0 H VAL A 61 -3.230 3.871 5.055 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.251 6.483 5.379 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.182 4.851 6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.394 6.503 8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.704 7.223 7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.407 7.521 7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.993 4.626 8.553 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.071 5.567 7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.466 3.980 6.964 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.026 6.216 4.658 1.00 0.00 N ATOM 1100 CA GLU A 62 0.128 6.951 4.155 1.00 0.00 C ATOM 1101 C GLU A 62 -0.182 7.593 2.806 1.00 0.00 C ATOM 1102 O GLU A 62 0.327 8.667 2.485 1.00 0.00 O ATOM 1103 CB GLU A 62 1.336 6.021 4.024 1.00 0.00 C ATOM 1104 CG GLU A 62 1.077 4.807 3.149 1.00 0.00 C ATOM 1105 CD GLU A 62 2.215 3.806 3.187 1.00 0.00 C ATOM 1106 OE1 GLU A 62 2.936 3.765 4.206 1.00 0.00 O ATOM 1107 OE2 GLU A 62 2.385 3.063 2.198 1.00 0.00 O ATOM 0 H GLU A 62 -0.861 5.220 4.804 1.00 0.00 H new ATOM 0 HA GLU A 62 0.363 7.741 4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.174 6.583 3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.635 5.686 5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.158 4.319 3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.919 5.132 2.121 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.022 6.928 2.019 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.401 7.433 0.706 1.00 0.00 C ATOM 1116 C ALA A 63 -2.432 8.551 0.824 1.00 0.00 C ATOM 1117 O ALA A 63 -2.447 9.483 0.021 1.00 0.00 O ATOM 1118 CB ALA A 63 -1.942 6.303 -0.158 1.00 0.00 C ATOM 0 H ALA A 63 -1.453 6.038 2.269 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.510 7.844 0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.221 6.695 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.175 5.538 -0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.818 5.866 0.321 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.293 8.451 1.831 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.327 9.454 2.057 1.00 0.00 C ATOM 1126 C LYS A 64 -3.732 10.725 2.654 1.00 0.00 C ATOM 1127 O LYS A 64 -4.031 11.831 2.205 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.410 8.900 2.985 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.771 9.541 2.783 1.00 0.00 C ATOM 1130 CD LYS A 64 -6.945 10.770 3.659 1.00 0.00 C ATOM 1131 CE LYS A 64 -7.322 10.391 5.083 1.00 0.00 C ATOM 1132 NZ LYS A 64 -8.762 10.029 5.198 1.00 0.00 N ATOM 0 H LYS A 64 -3.295 7.685 2.504 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.774 9.701 1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.497 7.825 2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.099 9.046 4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.891 9.820 1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.553 8.817 3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.020 11.346 3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.717 11.413 3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.709 9.551 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.103 11.224 5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.995 9.843 6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.346 10.814 4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.952 9.177 4.633 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.887 10.558 3.666 1.00 0.00 N ATOM 1147 CA GLN A 65 -2.250 11.693 4.324 1.00 0.00 C ATOM 1148 C GLN A 65 -1.468 12.535 3.320 1.00 0.00 C ATOM 1149 O GLN A 65 -1.392 13.757 3.445 1.00 0.00 O ATOM 1150 CB GLN A 65 -1.318 11.208 5.436 1.00 0.00 C ATOM 1151 CG GLN A 65 0.010 10.672 4.926 1.00 0.00 C ATOM 1152 CD GLN A 65 0.962 10.309 6.048 1.00 0.00 C ATOM 1153 OE1 GLN A 65 2.033 10.901 6.185 1.00 0.00 O ATOM 1154 NE2 GLN A 65 0.577 9.331 6.859 1.00 0.00 N ATOM 0 H GLN A 65 -2.628 9.649 4.048 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.032 12.314 4.761 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.128 12.032 6.124 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.821 10.427 6.005 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.171 9.792 4.309 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.478 11.420 4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.319 8.867 6.709 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.177 9.043 7.632 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.889 11.872 2.324 1.00 0.00 N ATOM 1164 CA VAL A 66 -0.113 12.560 1.298 1.00 0.00 C ATOM 1165 C VAL A 66 -0.949 13.626 0.600 1.00 0.00 C ATOM 1166 O VAL A 66 -0.440 14.682 0.223 1.00 0.00 O ATOM 1167 CB VAL A 66 0.423 11.572 0.245 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.034 12.323 -0.929 1.00 0.00 C ATOM 1169 CG2 VAL A 66 1.438 10.627 0.870 1.00 0.00 C ATOM 0 H VAL A 66 -0.942 10.860 2.206 1.00 0.00 H new ATOM 0 HA VAL A 66 0.729 13.035 1.802 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.411 10.978 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.407 11.609 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.276 12.955 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.857 12.944 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.806 9.936 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.272 11.203 1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.964 10.064 1.674 1.00 0.00 H new ATOM 1179 N LYS A 67 -2.237 13.344 0.430 1.00 0.00 N ATOM 1180 CA LYS A 67 -3.146 14.279 -0.221 1.00 0.00 C ATOM 1181 C LYS A 67 -3.173 15.615 0.515 1.00 0.00 C ATOM 1182 O LYS A 67 -3.337 16.669 -0.099 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.557 13.690 -0.283 1.00 0.00 C ATOM 1184 CG LYS A 67 -5.382 14.208 -1.449 1.00 0.00 C ATOM 1185 CD LYS A 67 -6.791 13.639 -1.432 1.00 0.00 C ATOM 1186 CE LYS A 67 -7.635 14.277 -0.339 1.00 0.00 C ATOM 1187 NZ LYS A 67 -8.125 15.627 -0.733 1.00 0.00 N ATOM 0 H LYS A 67 -2.674 12.474 0.735 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.785 14.451 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.486 12.605 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.077 13.916 0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.428 15.296 -1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.893 13.944 -2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.263 13.803 -2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.748 12.561 -1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.485 13.633 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.046 14.357 0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.696 16.028 0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.313 16.249 -0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.708 15.548 -1.590 1.00 0.00 H new ATOM 1201 N ASP A 68 -3.008 15.562 1.832 1.00 0.00 N ATOM 1202 CA ASP A 68 -3.011 16.768 2.652 1.00 0.00 C ATOM 1203 C ASP A 68 -1.650 17.456 2.611 1.00 0.00 C ATOM 1204 O ASP A 68 -1.554 18.648 2.318 1.00 0.00 O ATOM 1205 CB ASP A 68 -3.382 16.429 4.096 1.00 0.00 C ATOM 1206 CG ASP A 68 -4.082 17.575 4.799 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -5.322 17.670 4.688 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -3.390 18.378 5.460 1.00 0.00 O ATOM 0 H ASP A 68 -2.870 14.697 2.355 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.756 17.452 2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.029 15.552 4.105 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.479 16.165 4.647 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.600 16.697 2.909 1.00 0.00 N ATOM 1214 CA ILE A 69 0.755 17.233 2.906 1.00 0.00 C ATOM 1215 C ILE A 69 1.099 17.852 1.556 1.00 0.00 C ATOM 1216 O ILE A 69 2.088 18.573 1.426 1.00 0.00 O ATOM 1217 CB ILE A 69 1.792 16.144 3.238 1.00 0.00 C ATOM 1218 CG1 ILE A 69 2.182 15.377 1.973 1.00 0.00 C ATOM 1219 CG2 ILE A 69 1.243 15.194 4.292 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.182 14.271 2.221 1.00 0.00 C ATOM 0 H ILE A 69 -0.662 15.709 3.155 1.00 0.00 H new ATOM 0 HA ILE A 69 0.791 18.004 3.676 1.00 0.00 H new ATOM 0 HB ILE A 69 2.685 16.624 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.284 14.950 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.598 16.076 1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.987 14.430 4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.011 15.752 5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.337 14.719 3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.412 13.771 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.095 14.693 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.761 13.550 2.922 1.00 0.00 H new ATOM 1232 N MET A 70 0.275 17.567 0.553 1.00 0.00 N ATOM 1233 CA MET A 70 0.490 18.098 -0.788 1.00 0.00 C ATOM 1234 C MET A 70 -0.460 19.257 -1.072 1.00 0.00 C ATOM 1235 O MET A 70 -0.705 19.604 -2.228 1.00 0.00 O ATOM 1236 CB MET A 70 0.297 16.997 -1.833 1.00 0.00 C ATOM 1237 CG MET A 70 -1.160 16.643 -2.080 1.00 0.00 C ATOM 1238 SD MET A 70 -1.426 15.885 -3.695 1.00 0.00 S ATOM 1239 CE MET A 70 -1.990 17.297 -4.643 1.00 0.00 C ATOM 0 H MET A 70 -0.548 16.971 0.644 1.00 0.00 H new ATOM 0 HA MET A 70 1.514 18.468 -0.846 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.749 17.315 -2.772 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.830 16.103 -1.510 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.501 15.960 -1.302 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.767 17.545 -2.002 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.197 16.988 -5.668 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.899 17.697 -4.194 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.218 18.066 -4.645 1.00 0.00 H new ATOM 1249 N LYS A 71 -0.993 19.853 -0.011 1.00 0.00 N ATOM 1250 CA LYS A 71 -1.916 20.974 -0.145 1.00 0.00 C ATOM 1251 C LYS A 71 -1.424 22.181 0.647 1.00 0.00 C ATOM 1252 O LYS A 71 -0.332 22.162 1.216 1.00 0.00 O ATOM 1253 CB LYS A 71 -3.313 20.572 0.332 1.00 0.00 C ATOM 1254 CG LYS A 71 -4.188 19.994 -0.767 1.00 0.00 C ATOM 1255 CD LYS A 71 -4.979 21.078 -1.478 1.00 0.00 C ATOM 1256 CE LYS A 71 -5.881 20.495 -2.555 1.00 0.00 C ATOM 1257 NZ LYS A 71 -5.116 20.124 -3.778 1.00 0.00 N ATOM 0 H LYS A 71 -0.801 19.578 0.952 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.964 21.248 -1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.217 19.838 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.808 21.445 0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.565 19.464 -1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.874 19.262 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.583 21.624 -0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.292 21.796 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.391 19.614 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.652 21.220 -2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.766 19.731 -4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.650 20.969 -4.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.397 19.413 -3.535 1.00 0.00 H new ATOM 1271 N THR A 72 -2.238 23.232 0.682 1.00 0.00 N ATOM 1272 CA THR A 72 -1.886 24.448 1.406 1.00 0.00 C ATOM 1273 C THR A 72 -2.544 24.479 2.780 1.00 0.00 C ATOM 1274 O THR A 72 -1.938 24.914 3.760 1.00 0.00 O ATOM 1275 CB THR A 72 -2.301 25.707 0.622 1.00 0.00 C ATOM 1276 OG1 THR A 72 -3.709 25.682 0.362 1.00 0.00 O ATOM 1277 CG2 THR A 72 -1.539 25.802 -0.692 1.00 0.00 C ATOM 0 H THR A 72 -3.145 23.266 0.217 1.00 0.00 H new ATOM 0 HA THR A 72 -0.803 24.443 1.525 1.00 0.00 H new ATOM 0 HB THR A 72 -2.060 26.580 1.228 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.964 26.487 -0.135 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.849 26.699 -1.228 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.469 25.852 -0.489 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.753 24.923 -1.301 1.00 0.00 H new TER 1285 THR A 72