USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 454 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 32 ASN : amide:sc= 0.919 K(o=2,f=-0.77) USER MOD Set 1.2: A 36 SER OG : rot 139:sc= 1.07 USER MOD Set 2.1: A 3 HIS : no HE2:sc= 0.619 K(o=1.3,f=-4.4!) USER MOD Set 2.2: A 5 SER OG : rot 82:sc= 0.649 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0849 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.08) USER MOD Single : A 20 CYS SG : rot 19:sc= 0.0439 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -120:sc= 0.588 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 174:sc= 0 (180deg=-0.0471) USER MOD Single : A 33 SER OG : rot -166:sc= 1.27 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 42 GLN : amide:sc= 0.308 K(o=0.31,f=-4.2!) USER MOD Single : A 47 TYR OH : rot 60:sc= 0.0165 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= 0.988 K(o=0.99,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0.278 X(o=0.28,f=-0.15) USER MOD Single : A 59 GLN : amide:sc= 0.929 K(o=0.93,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.554 -1.950 -16.449 1.00 0.00 N ATOM 2 CA GLY A 1 -1.419 -0.578 -15.902 1.00 0.00 C ATOM 3 C GLY A 1 -1.741 -0.501 -14.406 1.00 0.00 C ATOM 4 O GLY A 1 -2.105 -1.518 -13.805 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.690 -2.202 -16.970 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.696 -2.622 -15.669 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.370 -1.988 -17.092 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.402 -0.224 -16.069 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.083 0.093 -16.447 1.00 0.00 H new ATOM 10 N PRO A 2 -1.604 0.695 -13.789 1.00 0.00 N ATOM 11 CA PRO A 2 -1.870 0.924 -12.370 1.00 0.00 C ATOM 12 C PRO A 2 -3.377 0.948 -12.064 1.00 0.00 C ATOM 13 O PRO A 2 -4.212 1.098 -12.956 1.00 0.00 O ATOM 14 CB PRO A 2 -1.204 2.269 -12.055 1.00 0.00 C ATOM 15 CG PRO A 2 -1.341 3.036 -13.370 1.00 0.00 C ATOM 16 CD PRO A 2 -1.151 1.936 -14.417 1.00 0.00 C ATOM 0 HA PRO A 2 -1.473 0.120 -11.751 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.702 2.784 -11.234 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -0.160 2.145 -11.767 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.315 3.517 -13.459 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.589 3.819 -13.463 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.728 2.151 -15.317 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.106 1.861 -14.719 1.00 0.00 H new ATOM 24 N HIS A 3 -3.728 0.836 -10.778 1.00 0.00 N ATOM 25 CA HIS A 3 -5.123 0.841 -10.301 1.00 0.00 C ATOM 26 C HIS A 3 -5.769 2.248 -10.242 1.00 0.00 C ATOM 27 O HIS A 3 -6.944 2.361 -9.887 1.00 0.00 O ATOM 28 CB HIS A 3 -5.188 0.120 -8.942 1.00 0.00 C ATOM 29 CG HIS A 3 -4.435 0.796 -7.817 1.00 0.00 C ATOM 30 ND1 HIS A 3 -4.928 1.755 -6.958 1.00 0.00 N ATOM 31 CD2 HIS A 3 -3.155 0.521 -7.415 1.00 0.00 C ATOM 32 CE1 HIS A 3 -3.968 2.048 -6.063 1.00 0.00 C ATOM 33 NE2 HIS A 3 -2.861 1.321 -6.300 1.00 0.00 N ATOM 0 H HIS A 3 -3.045 0.738 -10.027 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.722 0.304 -11.036 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.234 0.022 -8.650 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.796 -0.889 -9.065 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -5.859 2.170 -6.995 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.486 -0.190 -7.877 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.071 2.768 -5.264 1.00 0.00 H new ATOM 41 N MET A 4 -5.007 3.307 -10.566 1.00 0.00 N ATOM 42 CA MET A 4 -5.359 4.739 -10.745 1.00 0.00 C ATOM 43 C MET A 4 -5.986 5.482 -9.544 1.00 0.00 C ATOM 44 O MET A 4 -5.917 6.708 -9.477 1.00 0.00 O ATOM 45 CB MET A 4 -6.142 4.972 -12.053 1.00 0.00 C ATOM 46 CG MET A 4 -7.589 4.470 -12.070 1.00 0.00 C ATOM 47 SD MET A 4 -8.524 4.987 -13.531 1.00 0.00 S ATOM 48 CE MET A 4 -10.098 4.175 -13.152 1.00 0.00 C ATOM 0 H MET A 4 -4.010 3.170 -10.730 1.00 0.00 H new ATOM 0 HA MET A 4 -4.383 5.218 -10.817 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.147 6.041 -12.264 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.602 4.489 -12.867 1.00 0.00 H new ATOM 0 HG2 MET A 4 -7.587 3.381 -12.018 1.00 0.00 H new ATOM 0 HG3 MET A 4 -8.099 4.831 -11.177 1.00 0.00 H new ATOM 0 HE1 MET A 4 -10.814 4.380 -13.948 1.00 0.00 H new ATOM 0 HE2 MET A 4 -9.942 3.099 -13.072 1.00 0.00 H new ATOM 0 HE3 MET A 4 -10.486 4.557 -12.208 1.00 0.00 H new ATOM 58 N SER A 5 -6.542 4.770 -8.570 1.00 0.00 N ATOM 59 CA SER A 5 -7.084 5.302 -7.308 1.00 0.00 C ATOM 60 C SER A 5 -6.007 5.635 -6.244 1.00 0.00 C ATOM 61 O SER A 5 -6.340 6.041 -5.126 1.00 0.00 O ATOM 62 CB SER A 5 -8.112 4.297 -6.753 1.00 0.00 C ATOM 63 OG SER A 5 -7.560 2.993 -6.599 1.00 0.00 O ATOM 0 H SER A 5 -6.635 3.756 -8.634 1.00 0.00 H new ATOM 0 HA SER A 5 -7.557 6.257 -7.535 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.479 4.650 -5.790 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.970 4.250 -7.424 1.00 0.00 H new ATOM 0 HG SER A 5 -7.063 2.946 -5.756 1.00 0.00 H new ATOM 69 N TYR A 6 -4.717 5.473 -6.569 1.00 0.00 N ATOM 70 CA TYR A 6 -3.583 5.789 -5.687 1.00 0.00 C ATOM 71 C TYR A 6 -3.508 7.271 -5.259 1.00 0.00 C ATOM 72 O TYR A 6 -3.848 8.183 -6.020 1.00 0.00 O ATOM 73 CB TYR A 6 -2.276 5.364 -6.378 1.00 0.00 C ATOM 74 CG TYR A 6 -1.036 5.590 -5.532 1.00 0.00 C ATOM 75 CD1 TYR A 6 -0.732 4.707 -4.478 1.00 0.00 C ATOM 76 CD2 TYR A 6 -0.230 6.726 -5.750 1.00 0.00 C ATOM 77 CE1 TYR A 6 0.368 4.960 -3.639 1.00 0.00 C ATOM 78 CE2 TYR A 6 0.869 6.987 -4.910 1.00 0.00 C ATOM 79 CZ TYR A 6 1.170 6.106 -3.847 1.00 0.00 C ATOM 80 OH TYR A 6 2.225 6.369 -3.025 1.00 0.00 O ATOM 0 H TYR A 6 -4.425 5.109 -7.476 1.00 0.00 H new ATOM 0 HA TYR A 6 -3.735 5.229 -4.764 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -2.340 4.307 -6.638 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.173 5.916 -7.312 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.345 3.833 -4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.457 7.398 -6.564 1.00 0.00 H new ATOM 0 HE1 TYR A 6 0.601 4.278 -2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.482 7.860 -5.078 1.00 0.00 H new ATOM 0 HH TYR A 6 2.666 7.195 -3.313 1.00 0.00 H new ATOM 90 N ASP A 7 -2.981 7.505 -4.054 1.00 0.00 N ATOM 91 CA ASP A 7 -2.613 8.815 -3.511 1.00 0.00 C ATOM 92 C ASP A 7 -1.466 8.667 -2.489 1.00 0.00 C ATOM 93 O ASP A 7 -1.371 7.653 -1.794 1.00 0.00 O ATOM 94 CB ASP A 7 -3.845 9.481 -2.878 1.00 0.00 C ATOM 95 CG ASP A 7 -3.511 10.853 -2.276 1.00 0.00 C ATOM 96 OD1 ASP A 7 -3.450 11.847 -3.034 1.00 0.00 O ATOM 97 OD2 ASP A 7 -3.278 10.910 -1.046 1.00 0.00 O ATOM 0 H ASP A 7 -2.790 6.748 -3.398 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.257 9.454 -4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.623 9.596 -3.633 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.248 8.832 -2.100 1.00 0.00 H new ATOM 102 N ALA A 8 -0.598 9.682 -2.381 1.00 0.00 N ATOM 103 CA ALA A 8 0.585 9.659 -1.509 1.00 0.00 C ATOM 104 C ALA A 8 0.264 9.607 0.000 1.00 0.00 C ATOM 105 O ALA A 8 1.083 9.111 0.777 1.00 0.00 O ATOM 106 CB ALA A 8 1.436 10.891 -1.848 1.00 0.00 C ATOM 0 H ALA A 8 -0.699 10.553 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 8 1.126 8.733 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.325 10.904 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.735 10.849 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.853 11.795 -1.673 1.00 0.00 H new ATOM 112 N ASN A 9 -0.910 10.099 0.417 1.00 0.00 N ATOM 113 CA ASN A 9 -1.372 10.106 1.814 1.00 0.00 C ATOM 114 C ASN A 9 -2.616 9.224 2.044 1.00 0.00 C ATOM 115 O ASN A 9 -2.694 8.547 3.070 1.00 0.00 O ATOM 116 CB ASN A 9 -1.665 11.555 2.234 1.00 0.00 C ATOM 117 CG ASN A 9 -0.406 12.416 2.241 1.00 0.00 C ATOM 118 OD1 ASN A 9 -0.144 13.179 1.318 1.00 0.00 O ATOM 119 ND2 ASN A 9 0.411 12.314 3.274 1.00 0.00 N ATOM 0 H ASN A 9 -1.585 10.515 -0.225 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.577 9.680 2.427 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.397 11.989 1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.113 11.560 3.228 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.264 12.872 3.306 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.188 11.678 4.039 1.00 0.00 H new ATOM 126 N VAL A 10 -3.567 9.231 1.099 1.00 0.00 N ATOM 127 CA VAL A 10 -4.829 8.466 1.044 1.00 0.00 C ATOM 128 C VAL A 10 -5.885 9.086 1.970 1.00 0.00 C ATOM 129 O VAL A 10 -5.740 9.096 3.194 1.00 0.00 O ATOM 130 CB VAL A 10 -4.679 6.943 1.313 1.00 0.00 C ATOM 131 CG1 VAL A 10 -6.013 6.210 1.069 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.615 6.312 0.398 1.00 0.00 C ATOM 0 H VAL A 10 -3.467 9.826 0.276 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.164 8.540 0.009 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.375 6.837 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.884 5.145 1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.776 6.611 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.324 6.355 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.536 5.246 0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.902 6.452 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.652 6.790 0.576 1.00 0.00 H new ATOM 142 N ILE A 11 -6.972 9.587 1.373 1.00 0.00 N ATOM 143 CA ILE A 11 -8.126 10.186 2.061 1.00 0.00 C ATOM 144 C ILE A 11 -9.432 9.929 1.285 1.00 0.00 C ATOM 145 O ILE A 11 -9.394 9.674 0.077 1.00 0.00 O ATOM 146 CB ILE A 11 -7.836 11.697 2.275 1.00 0.00 C ATOM 147 CG1 ILE A 11 -8.319 12.171 3.662 1.00 0.00 C ATOM 148 CG2 ILE A 11 -8.405 12.584 1.146 1.00 0.00 C ATOM 149 CD1 ILE A 11 -7.867 13.595 4.012 1.00 0.00 C ATOM 0 H ILE A 11 -7.078 9.587 0.359 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.270 9.720 3.036 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.753 11.811 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.408 12.125 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.948 11.483 4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.171 13.629 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.960 12.292 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.486 12.458 1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.242 13.863 5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.778 13.641 4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.260 14.293 3.273 1.00 0.00 H new ATOM 161 N ASP A 12 -10.589 10.017 1.955 1.00 0.00 N ATOM 162 CA ASP A 12 -11.904 10.024 1.297 1.00 0.00 C ATOM 163 C ASP A 12 -12.528 11.422 1.412 1.00 0.00 C ATOM 164 O ASP A 12 -12.890 11.876 2.501 1.00 0.00 O ATOM 165 CB ASP A 12 -12.845 8.950 1.872 1.00 0.00 C ATOM 166 CG ASP A 12 -13.978 8.588 0.895 1.00 0.00 C ATOM 167 OD1 ASP A 12 -14.550 9.509 0.270 1.00 0.00 O ATOM 168 OD2 ASP A 12 -14.319 7.385 0.791 1.00 0.00 O ATOM 0 H ASP A 12 -10.640 10.086 2.971 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.759 9.780 0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.270 8.054 2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.275 9.309 2.807 1.00 0.00 H new ATOM 173 N ASP A 13 -12.683 12.101 0.274 1.00 0.00 N ATOM 174 CA ASP A 13 -13.311 13.420 0.199 1.00 0.00 C ATOM 175 C ASP A 13 -14.774 13.413 0.676 1.00 0.00 C ATOM 176 O ASP A 13 -15.249 14.442 1.158 1.00 0.00 O ATOM 177 CB ASP A 13 -13.185 13.983 -1.225 1.00 0.00 C ATOM 178 CG ASP A 13 -14.011 13.211 -2.269 1.00 0.00 C ATOM 179 OD1 ASP A 13 -13.501 12.200 -2.811 1.00 0.00 O ATOM 180 OD2 ASP A 13 -15.150 13.638 -2.570 1.00 0.00 O ATOM 0 H ASP A 13 -12.373 11.746 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 13 -12.777 14.076 0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.501 15.026 -1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.136 13.968 -1.521 1.00 0.00 H new ATOM 185 N GLU A 14 -15.466 12.264 0.626 1.00 0.00 N ATOM 186 CA GLU A 14 -16.802 12.111 1.209 1.00 0.00 C ATOM 187 C GLU A 14 -16.741 12.007 2.737 1.00 0.00 C ATOM 188 O GLU A 14 -17.551 12.632 3.419 1.00 0.00 O ATOM 189 CB GLU A 14 -17.551 10.908 0.627 1.00 0.00 C ATOM 190 CG GLU A 14 -17.827 11.021 -0.879 1.00 0.00 C ATOM 191 CD GLU A 14 -18.547 9.768 -1.392 1.00 0.00 C ATOM 192 OE1 GLU A 14 -19.714 9.525 -1.004 1.00 0.00 O ATOM 193 OE2 GLU A 14 -17.931 8.958 -2.123 1.00 0.00 O ATOM 0 H GLU A 14 -15.113 11.417 0.180 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.358 13.011 0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -16.970 10.005 0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.499 10.792 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.435 11.903 -1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -16.888 11.154 -1.417 1.00 0.00 H new ATOM 200 N ALA A 15 -15.759 11.296 3.304 1.00 0.00 N ATOM 201 CA ALA A 15 -15.577 11.263 4.757 1.00 0.00 C ATOM 202 C ALA A 15 -15.157 12.640 5.296 1.00 0.00 C ATOM 203 O ALA A 15 -15.722 13.079 6.299 1.00 0.00 O ATOM 204 CB ALA A 15 -14.575 10.170 5.126 1.00 0.00 C ATOM 0 H ALA A 15 -15.083 10.739 2.781 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.529 11.023 5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.442 10.148 6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.949 9.204 4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.618 10.377 4.647 1.00 0.00 H new ATOM 210 N VAL A 16 -14.245 13.345 4.608 1.00 0.00 N ATOM 211 CA VAL A 16 -13.867 14.743 4.918 1.00 0.00 C ATOM 212 C VAL A 16 -15.099 15.667 4.881 1.00 0.00 C ATOM 213 O VAL A 16 -15.324 16.427 5.823 1.00 0.00 O ATOM 214 CB VAL A 16 -12.757 15.272 3.973 1.00 0.00 C ATOM 215 CG1 VAL A 16 -12.461 16.769 4.189 1.00 0.00 C ATOM 216 CG2 VAL A 16 -11.438 14.510 4.183 1.00 0.00 C ATOM 0 H VAL A 16 -13.740 12.960 3.810 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.460 14.747 5.929 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.138 15.119 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.677 17.088 3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.365 17.349 4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.132 16.930 5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.679 14.903 3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.106 14.635 5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.593 13.451 3.978 1.00 0.00 H new ATOM 226 N LYS A 17 -15.940 15.559 3.845 1.00 0.00 N ATOM 227 CA LYS A 17 -17.222 16.272 3.744 1.00 0.00 C ATOM 228 C LYS A 17 -18.165 15.926 4.914 1.00 0.00 C ATOM 229 O LYS A 17 -18.690 16.836 5.550 1.00 0.00 O ATOM 230 CB LYS A 17 -17.833 15.954 2.363 1.00 0.00 C ATOM 231 CG LYS A 17 -19.296 16.357 2.120 1.00 0.00 C ATOM 232 CD LYS A 17 -19.585 17.856 2.271 1.00 0.00 C ATOM 233 CE LYS A 17 -21.005 18.118 1.746 1.00 0.00 C ATOM 234 NZ LYS A 17 -21.452 19.512 2.008 1.00 0.00 N ATOM 0 H LYS A 17 -15.747 14.964 3.039 1.00 0.00 H new ATOM 0 HA LYS A 17 -17.063 17.347 3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.220 16.442 1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -17.749 14.880 2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.582 16.046 1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -19.930 15.807 2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -19.503 18.157 3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -18.857 18.443 1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -21.036 17.924 0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -21.699 17.421 2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -22.299 19.717 1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -21.676 19.621 3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -20.693 20.174 1.749 1.00 0.00 H new ATOM 248 N GLU A 18 -18.336 14.643 5.248 1.00 0.00 N ATOM 249 CA GLU A 18 -19.184 14.208 6.361 1.00 0.00 C ATOM 250 C GLU A 18 -18.657 14.712 7.717 1.00 0.00 C ATOM 251 O GLU A 18 -19.388 15.417 8.401 1.00 0.00 O ATOM 252 CB GLU A 18 -19.375 12.681 6.357 1.00 0.00 C ATOM 253 CG GLU A 18 -20.358 12.231 5.274 1.00 0.00 C ATOM 254 CD GLU A 18 -20.610 10.716 5.336 1.00 0.00 C ATOM 255 OE1 GLU A 18 -21.470 10.285 6.140 1.00 0.00 O ATOM 256 OE2 GLU A 18 -19.975 9.953 4.570 1.00 0.00 O ATOM 0 H GLU A 18 -17.887 13.874 4.751 1.00 0.00 H new ATOM 0 HA GLU A 18 -20.165 14.661 6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -18.412 12.195 6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -19.737 12.358 7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -21.302 12.763 5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -19.965 12.496 4.292 1.00 0.00 H new ATOM 263 N VAL A 19 -17.400 14.444 8.098 1.00 0.00 N ATOM 264 CA VAL A 19 -16.854 14.857 9.414 1.00 0.00 C ATOM 265 C VAL A 19 -16.868 16.379 9.627 1.00 0.00 C ATOM 266 O VAL A 19 -17.063 16.829 10.756 1.00 0.00 O ATOM 267 CB VAL A 19 -15.456 14.253 9.669 1.00 0.00 C ATOM 268 CG1 VAL A 19 -14.382 14.838 8.759 1.00 0.00 C ATOM 269 CG2 VAL A 19 -14.996 14.439 11.120 1.00 0.00 C ATOM 0 H VAL A 19 -16.733 13.940 7.514 1.00 0.00 H new ATOM 0 HA VAL A 19 -17.531 14.446 10.162 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.573 13.192 9.451 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.422 14.375 8.985 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.642 14.645 7.718 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.313 15.914 8.922 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -14.008 13.997 11.248 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.951 15.503 11.354 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.702 13.949 11.791 1.00 0.00 H new ATOM 279 N CYS A 20 -16.750 17.177 8.557 1.00 0.00 N ATOM 280 CA CYS A 20 -16.904 18.636 8.622 1.00 0.00 C ATOM 281 C CYS A 20 -18.258 19.049 9.245 1.00 0.00 C ATOM 282 O CYS A 20 -18.298 19.928 10.109 1.00 0.00 O ATOM 283 CB CYS A 20 -16.727 19.180 7.193 1.00 0.00 C ATOM 284 SG CYS A 20 -16.809 20.993 7.201 1.00 0.00 S ATOM 0 H CYS A 20 -16.545 16.828 7.621 1.00 0.00 H new ATOM 0 HA CYS A 20 -16.148 19.066 9.279 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -15.770 18.853 6.787 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -17.503 18.776 6.543 1.00 0.00 H new ATOM 0 HG CYS A 20 -16.600 21.432 8.407 1.00 0.00 H new ATOM 290 N GLU A 21 -19.350 18.381 8.860 1.00 0.00 N ATOM 291 CA GLU A 21 -20.720 18.704 9.293 1.00 0.00 C ATOM 292 C GLU A 21 -21.129 17.882 10.521 1.00 0.00 C ATOM 293 O GLU A 21 -21.593 18.428 11.523 1.00 0.00 O ATOM 294 CB GLU A 21 -21.730 18.450 8.156 1.00 0.00 C ATOM 295 CG GLU A 21 -21.259 19.017 6.817 1.00 0.00 C ATOM 296 CD GLU A 21 -22.320 18.985 5.703 1.00 0.00 C ATOM 297 OE1 GLU A 21 -23.305 18.213 5.782 1.00 0.00 O ATOM 298 OE2 GLU A 21 -22.153 19.739 4.714 1.00 0.00 O ATOM 0 H GLU A 21 -19.309 17.583 8.225 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.730 19.761 9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -21.896 17.377 8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -22.689 18.897 8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.938 20.048 6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.385 18.455 6.486 1.00 0.00 H new ATOM 305 N LYS A 22 -20.931 16.561 10.451 1.00 0.00 N ATOM 306 CA LYS A 22 -21.370 15.585 11.461 1.00 0.00 C ATOM 307 C LYS A 22 -20.698 15.830 12.827 1.00 0.00 C ATOM 308 O LYS A 22 -21.366 15.805 13.863 1.00 0.00 O ATOM 309 CB LYS A 22 -21.116 14.168 10.894 1.00 0.00 C ATOM 310 CG LYS A 22 -21.991 13.042 11.487 1.00 0.00 C ATOM 311 CD LYS A 22 -21.487 12.431 12.806 1.00 0.00 C ATOM 312 CE LYS A 22 -22.521 11.425 13.334 1.00 0.00 C ATOM 313 NZ LYS A 22 -22.112 10.829 14.636 1.00 0.00 N ATOM 0 H LYS A 22 -20.446 16.126 9.666 1.00 0.00 H new ATOM 0 HA LYS A 22 -22.436 15.696 11.659 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -21.273 14.195 9.816 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -20.069 13.914 11.058 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -22.995 13.434 11.650 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -22.076 12.245 10.748 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -20.530 11.935 12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -21.320 13.217 13.543 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -23.483 11.923 13.451 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -22.660 10.631 12.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -22.839 10.157 14.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -21.207 10.331 14.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -22.004 11.583 15.344 1.00 0.00 H new ATOM 327 N PHE A 23 -19.388 16.112 12.824 1.00 0.00 N ATOM 328 CA PHE A 23 -18.603 16.444 14.020 1.00 0.00 C ATOM 329 C PHE A 23 -18.511 17.960 14.314 1.00 0.00 C ATOM 330 O PHE A 23 -18.056 18.337 15.394 1.00 0.00 O ATOM 331 CB PHE A 23 -17.215 15.807 13.860 1.00 0.00 C ATOM 332 CG PHE A 23 -16.481 15.589 15.164 1.00 0.00 C ATOM 333 CD1 PHE A 23 -16.920 14.587 16.050 1.00 0.00 C ATOM 334 CD2 PHE A 23 -15.347 16.358 15.484 1.00 0.00 C ATOM 335 CE1 PHE A 23 -16.228 14.351 17.248 1.00 0.00 C ATOM 336 CE2 PHE A 23 -14.654 16.121 16.683 1.00 0.00 C ATOM 337 CZ PHE A 23 -15.089 15.115 17.566 1.00 0.00 C ATOM 0 H PHE A 23 -18.832 16.116 11.969 1.00 0.00 H new ATOM 0 HA PHE A 23 -19.116 16.038 14.892 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.323 14.849 13.352 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -16.608 16.443 13.216 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.792 13.998 15.807 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -15.009 17.130 14.808 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -16.569 13.583 17.926 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -13.784 16.713 16.928 1.00 0.00 H new ATOM 0 HZ PHE A 23 -14.551 14.930 18.484 1.00 0.00 H new ATOM 347 N GLU A 24 -18.942 18.817 13.376 1.00 0.00 N ATOM 348 CA GLU A 24 -19.001 20.287 13.480 1.00 0.00 C ATOM 349 C GLU A 24 -17.593 20.916 13.566 1.00 0.00 C ATOM 350 O GLU A 24 -17.128 21.329 14.633 1.00 0.00 O ATOM 351 CB GLU A 24 -19.924 20.767 14.623 1.00 0.00 C ATOM 352 CG GLU A 24 -21.373 20.291 14.465 1.00 0.00 C ATOM 353 CD GLU A 24 -22.259 20.871 15.580 1.00 0.00 C ATOM 354 OE1 GLU A 24 -22.788 21.997 15.416 1.00 0.00 O ATOM 355 OE2 GLU A 24 -22.438 20.206 16.628 1.00 0.00 O ATOM 0 H GLU A 24 -19.278 18.486 12.472 1.00 0.00 H new ATOM 0 HA GLU A 24 -19.454 20.643 12.555 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.531 20.408 15.574 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.908 21.856 14.662 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -21.758 20.596 13.492 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -21.409 19.202 14.494 1.00 0.00 H new ATOM 362 N CYS A 25 -16.916 20.998 12.414 1.00 0.00 N ATOM 363 CA CYS A 25 -15.564 21.556 12.258 1.00 0.00 C ATOM 364 C CYS A 25 -15.382 22.196 10.856 1.00 0.00 C ATOM 365 O CYS A 25 -16.351 22.707 10.286 1.00 0.00 O ATOM 366 CB CYS A 25 -14.551 20.447 12.613 1.00 0.00 C ATOM 367 SG CYS A 25 -12.935 21.200 12.977 1.00 0.00 S ATOM 0 H CYS A 25 -17.307 20.666 11.532 1.00 0.00 H new ATOM 0 HA CYS A 25 -15.388 22.385 12.944 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.903 19.880 13.475 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -14.459 19.744 11.785 1.00 0.00 H new ATOM 0 HG CYS A 25 -12.045 20.740 12.148 1.00 0.00 H new ATOM 373 N THR A 26 -14.161 22.169 10.296 1.00 0.00 N ATOM 374 CA THR A 26 -13.819 22.634 8.939 1.00 0.00 C ATOM 375 C THR A 26 -12.950 21.605 8.223 1.00 0.00 C ATOM 376 O THR A 26 -12.135 20.917 8.847 1.00 0.00 O ATOM 377 CB THR A 26 -13.116 23.999 8.960 1.00 0.00 C ATOM 378 OG1 THR A 26 -11.910 23.906 9.677 1.00 0.00 O ATOM 379 CG2 THR A 26 -13.975 25.090 9.601 1.00 0.00 C ATOM 0 H THR A 26 -13.350 21.807 10.797 1.00 0.00 H new ATOM 0 HA THR A 26 -14.755 22.753 8.393 1.00 0.00 H new ATOM 0 HB THR A 26 -12.932 24.273 7.921 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.466 24.780 9.685 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.431 26.035 9.590 1.00 0.00 H new ATOM 0 HG22 THR A 26 -14.903 25.199 9.040 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.204 24.815 10.631 1.00 0.00 H new ATOM 387 N GLU A 27 -13.097 21.523 6.898 1.00 0.00 N ATOM 388 CA GLU A 27 -12.342 20.583 6.058 1.00 0.00 C ATOM 389 C GLU A 27 -10.831 20.822 6.189 1.00 0.00 C ATOM 390 O GLU A 27 -10.066 19.870 6.300 1.00 0.00 O ATOM 391 CB GLU A 27 -12.764 20.705 4.582 1.00 0.00 C ATOM 392 CG GLU A 27 -14.237 20.354 4.344 1.00 0.00 C ATOM 393 CD GLU A 27 -14.589 20.481 2.855 1.00 0.00 C ATOM 394 OE1 GLU A 27 -14.917 21.604 2.402 1.00 0.00 O ATOM 395 OE2 GLU A 27 -14.549 19.461 2.127 1.00 0.00 O ATOM 0 H GLU A 27 -13.746 22.109 6.373 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.568 19.575 6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.580 21.724 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.138 20.049 3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.434 19.337 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.874 21.016 4.931 1.00 0.00 H new ATOM 402 N SER A 28 -10.392 22.083 6.256 1.00 0.00 N ATOM 403 CA SER A 28 -8.970 22.436 6.387 1.00 0.00 C ATOM 404 C SER A 28 -8.349 21.914 7.694 1.00 0.00 C ATOM 405 O SER A 28 -7.236 21.391 7.670 1.00 0.00 O ATOM 406 CB SER A 28 -8.797 23.959 6.302 1.00 0.00 C ATOM 407 OG SER A 28 -9.375 24.482 5.111 1.00 0.00 O ATOM 0 H SER A 28 -11.013 22.892 6.221 1.00 0.00 H new ATOM 0 HA SER A 28 -8.444 21.954 5.563 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.261 24.428 7.170 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.736 24.208 6.333 1.00 0.00 H new ATOM 0 HG SER A 28 -9.250 25.454 5.086 1.00 0.00 H new ATOM 413 N GLU A 29 -9.067 22.003 8.827 1.00 0.00 N ATOM 414 CA GLU A 29 -8.585 21.477 10.112 1.00 0.00 C ATOM 415 C GLU A 29 -8.676 19.944 10.159 1.00 0.00 C ATOM 416 O GLU A 29 -7.753 19.285 10.643 1.00 0.00 O ATOM 417 CB GLU A 29 -9.374 22.087 11.283 1.00 0.00 C ATOM 418 CG GLU A 29 -9.100 23.584 11.484 1.00 0.00 C ATOM 419 CD GLU A 29 -7.652 23.854 11.920 1.00 0.00 C ATOM 420 OE1 GLU A 29 -7.317 23.614 13.105 1.00 0.00 O ATOM 421 OE2 GLU A 29 -6.840 24.325 11.089 1.00 0.00 O ATOM 0 H GLU A 29 -9.989 22.437 8.876 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.537 21.760 10.208 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.440 21.940 11.110 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.123 21.552 12.199 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.304 24.117 10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.784 23.979 12.235 1.00 0.00 H new ATOM 428 N VAL A 30 -9.752 19.371 9.604 1.00 0.00 N ATOM 429 CA VAL A 30 -9.921 17.914 9.453 1.00 0.00 C ATOM 430 C VAL A 30 -8.753 17.304 8.667 1.00 0.00 C ATOM 431 O VAL A 30 -8.125 16.356 9.138 1.00 0.00 O ATOM 432 CB VAL A 30 -11.279 17.615 8.779 1.00 0.00 C ATOM 433 CG1 VAL A 30 -11.378 16.213 8.156 1.00 0.00 C ATOM 434 CG2 VAL A 30 -12.413 17.825 9.800 1.00 0.00 C ATOM 0 H VAL A 30 -10.540 19.909 9.242 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.918 17.451 10.440 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.373 18.313 7.947 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.362 16.084 7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.610 16.100 7.391 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.233 15.460 8.930 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -13.372 17.615 9.327 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.270 17.152 10.646 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.400 18.857 10.151 1.00 0.00 H new ATOM 444 N MET A 31 -8.435 17.861 7.491 1.00 0.00 N ATOM 445 CA MET A 31 -7.313 17.414 6.665 1.00 0.00 C ATOM 446 C MET A 31 -5.964 17.684 7.338 1.00 0.00 C ATOM 447 O MET A 31 -5.075 16.842 7.236 1.00 0.00 O ATOM 448 CB MET A 31 -7.381 18.056 5.270 1.00 0.00 C ATOM 449 CG MET A 31 -8.589 17.529 4.477 1.00 0.00 C ATOM 450 SD MET A 31 -8.760 18.187 2.796 1.00 0.00 S ATOM 451 CE MET A 31 -7.380 17.345 1.977 1.00 0.00 C ATOM 0 H MET A 31 -8.955 18.640 7.086 1.00 0.00 H new ATOM 0 HA MET A 31 -7.397 16.333 6.549 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.451 19.139 5.368 1.00 0.00 H new ATOM 0 HB3 MET A 31 -6.462 17.844 4.723 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.518 16.443 4.419 1.00 0.00 H new ATOM 0 HG3 MET A 31 -9.497 17.760 5.034 1.00 0.00 H new ATOM 0 HE1 MET A 31 -7.407 17.557 0.908 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.438 17.701 2.394 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.464 16.270 2.136 1.00 0.00 H new ATOM 461 N ASN A 32 -5.808 18.777 8.091 1.00 0.00 N ATOM 462 CA ASN A 32 -4.597 19.020 8.875 1.00 0.00 C ATOM 463 C ASN A 32 -4.348 17.897 9.899 1.00 0.00 C ATOM 464 O ASN A 32 -3.253 17.338 9.917 1.00 0.00 O ATOM 465 CB ASN A 32 -4.648 20.408 9.532 1.00 0.00 C ATOM 466 CG ASN A 32 -3.379 20.694 10.331 1.00 0.00 C ATOM 467 OD1 ASN A 32 -2.308 20.904 9.777 1.00 0.00 O ATOM 468 ND2 ASN A 32 -3.451 20.672 11.651 1.00 0.00 N ATOM 0 H ASN A 32 -6.511 19.511 8.173 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.744 19.010 8.196 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.776 21.171 8.764 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.515 20.469 10.190 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.613 20.830 12.210 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.345 20.497 12.110 1.00 0.00 H new ATOM 475 N SER A 33 -5.341 17.471 10.684 1.00 0.00 N ATOM 476 CA SER A 33 -5.157 16.341 11.620 1.00 0.00 C ATOM 477 C SER A 33 -4.880 14.989 10.934 1.00 0.00 C ATOM 478 O SER A 33 -4.414 14.062 11.594 1.00 0.00 O ATOM 479 CB SER A 33 -6.371 16.164 12.541 1.00 0.00 C ATOM 480 OG SER A 33 -6.586 17.311 13.340 1.00 0.00 O ATOM 0 H SER A 33 -6.275 17.882 10.696 1.00 0.00 H new ATOM 0 HA SER A 33 -4.272 16.616 12.194 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.259 15.966 11.941 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.219 15.296 13.182 1.00 0.00 H new ATOM 0 HG SER A 33 -7.213 17.094 14.061 1.00 0.00 H new ATOM 486 N LEU A 34 -5.150 14.863 9.629 1.00 0.00 N ATOM 487 CA LEU A 34 -4.888 13.657 8.833 1.00 0.00 C ATOM 488 C LEU A 34 -3.561 13.725 8.051 1.00 0.00 C ATOM 489 O LEU A 34 -3.068 12.686 7.608 1.00 0.00 O ATOM 490 CB LEU A 34 -6.100 13.429 7.908 1.00 0.00 C ATOM 491 CG LEU A 34 -7.394 13.053 8.671 1.00 0.00 C ATOM 492 CD1 LEU A 34 -8.624 13.224 7.773 1.00 0.00 C ATOM 493 CD2 LEU A 34 -7.337 11.609 9.195 1.00 0.00 C ATOM 0 H LEU A 34 -5.568 15.617 9.083 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.765 12.806 9.503 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.279 14.334 7.327 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.862 12.636 7.198 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.475 13.728 9.523 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.521 12.954 8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.696 14.262 7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.530 12.577 6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.261 11.378 9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.218 10.922 8.357 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.492 11.502 9.875 1.00 0.00 H new ATOM 505 N TYR A 35 -2.968 14.916 7.899 1.00 0.00 N ATOM 506 CA TYR A 35 -1.716 15.153 7.163 1.00 0.00 C ATOM 507 C TYR A 35 -0.549 15.534 8.096 1.00 0.00 C ATOM 508 O TYR A 35 0.531 14.945 8.030 1.00 0.00 O ATOM 509 CB TYR A 35 -1.972 16.265 6.133 1.00 0.00 C ATOM 510 CG TYR A 35 -0.771 16.599 5.269 1.00 0.00 C ATOM 511 CD1 TYR A 35 -0.487 15.822 4.129 1.00 0.00 C ATOM 512 CD2 TYR A 35 0.067 17.684 5.604 1.00 0.00 C ATOM 513 CE1 TYR A 35 0.628 16.125 3.324 1.00 0.00 C ATOM 514 CE2 TYR A 35 1.186 17.990 4.807 1.00 0.00 C ATOM 515 CZ TYR A 35 1.470 17.208 3.663 1.00 0.00 C ATOM 516 OH TYR A 35 2.548 17.501 2.884 1.00 0.00 O ATOM 0 H TYR A 35 -3.358 15.770 8.297 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.419 14.229 6.666 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.798 15.964 5.488 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.290 17.166 6.658 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.127 14.991 3.871 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.151 18.282 6.476 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.840 15.530 2.448 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.826 18.820 5.068 1.00 0.00 H new ATOM 0 HH TYR A 35 3.020 18.275 3.257 1.00 0.00 H new ATOM 526 N SER A 36 -0.771 16.510 8.976 1.00 0.00 N ATOM 527 CA SER A 36 0.191 16.994 9.979 1.00 0.00 C ATOM 528 C SER A 36 0.082 16.222 11.307 1.00 0.00 C ATOM 529 O SER A 36 1.086 16.032 12.001 1.00 0.00 O ATOM 530 CB SER A 36 -0.079 18.483 10.270 1.00 0.00 C ATOM 531 OG SER A 36 -0.165 19.267 9.087 1.00 0.00 O ATOM 0 H SER A 36 -1.660 17.008 9.015 1.00 0.00 H new ATOM 0 HA SER A 36 1.189 16.843 9.569 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.009 18.576 10.831 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.716 18.875 10.904 1.00 0.00 H new ATOM 0 HG SER A 36 -0.898 19.912 9.175 1.00 0.00 H new ATOM 537 N GLY A 37 -1.137 15.782 11.658 1.00 0.00 N ATOM 538 CA GLY A 37 -1.434 14.966 12.841 1.00 0.00 C ATOM 539 C GLY A 37 -1.481 13.465 12.532 1.00 0.00 C ATOM 540 O GLY A 37 -0.897 12.990 11.555 1.00 0.00 O ATOM 0 H GLY A 37 -1.969 15.993 11.106 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.678 15.152 13.604 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.392 15.276 13.259 1.00 0.00 H new ATOM 544 N ASP A 38 -2.174 12.719 13.395 1.00 0.00 N ATOM 545 CA ASP A 38 -2.407 11.273 13.280 1.00 0.00 C ATOM 546 C ASP A 38 -3.791 10.863 13.860 1.00 0.00 C ATOM 547 O ASP A 38 -4.411 11.686 14.545 1.00 0.00 O ATOM 548 CB ASP A 38 -1.224 10.525 13.931 1.00 0.00 C ATOM 549 CG ASP A 38 -1.251 10.575 15.465 1.00 0.00 C ATOM 550 OD1 ASP A 38 -1.913 9.698 16.066 1.00 0.00 O ATOM 551 OD2 ASP A 38 -0.592 11.458 16.064 1.00 0.00 O ATOM 0 H ASP A 38 -2.607 13.119 14.227 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.450 10.989 12.229 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.237 9.484 13.607 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.289 10.957 13.576 1.00 0.00 H new ATOM 556 N PRO A 39 -4.278 9.618 13.628 1.00 0.00 N ATOM 557 CA PRO A 39 -5.587 9.091 14.063 1.00 0.00 C ATOM 558 C PRO A 39 -5.898 9.051 15.575 1.00 0.00 C ATOM 559 O PRO A 39 -6.771 8.288 15.995 1.00 0.00 O ATOM 560 CB PRO A 39 -5.695 7.689 13.447 1.00 0.00 C ATOM 561 CG PRO A 39 -4.820 7.779 12.207 1.00 0.00 C ATOM 562 CD PRO A 39 -3.680 8.658 12.703 1.00 0.00 C ATOM 0 HA PRO A 39 -6.337 9.802 13.717 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.340 6.920 14.134 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.726 7.440 13.194 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.470 6.800 11.880 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.347 8.227 11.365 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.917 8.061 13.202 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.193 9.169 11.873 1.00 0.00 H new ATOM 570 N GLN A 40 -5.210 9.845 16.398 1.00 0.00 N ATOM 571 CA GLN A 40 -5.486 10.039 17.829 1.00 0.00 C ATOM 572 C GLN A 40 -6.044 11.446 18.119 1.00 0.00 C ATOM 573 O GLN A 40 -6.627 11.666 19.183 1.00 0.00 O ATOM 574 CB GLN A 40 -4.190 9.816 18.627 1.00 0.00 C ATOM 575 CG GLN A 40 -3.716 8.353 18.588 1.00 0.00 C ATOM 576 CD GLN A 40 -2.352 8.185 19.253 1.00 0.00 C ATOM 577 OE1 GLN A 40 -2.220 7.681 20.363 1.00 0.00 O ATOM 578 NE2 GLN A 40 -1.287 8.621 18.608 1.00 0.00 N ATOM 0 H GLN A 40 -4.413 10.394 16.076 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.245 9.317 18.131 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.406 10.459 18.227 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.350 10.115 19.663 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.447 7.720 19.091 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.661 8.016 17.553 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.387 9.042 17.684 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.364 8.537 19.033 1.00 0.00 H new ATOM 587 N ASP A 41 -5.902 12.397 17.186 1.00 0.00 N ATOM 588 CA ASP A 41 -6.566 13.703 17.241 1.00 0.00 C ATOM 589 C ASP A 41 -8.080 13.558 17.014 1.00 0.00 C ATOM 590 O ASP A 41 -8.510 12.791 16.149 1.00 0.00 O ATOM 591 CB ASP A 41 -5.951 14.623 16.180 1.00 0.00 C ATOM 592 CG ASP A 41 -6.600 16.014 16.198 1.00 0.00 C ATOM 593 OD1 ASP A 41 -7.624 16.196 15.494 1.00 0.00 O ATOM 594 OD2 ASP A 41 -6.069 16.910 16.892 1.00 0.00 O ATOM 0 H ASP A 41 -5.314 12.277 16.361 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.419 14.137 18.230 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.879 14.718 16.356 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.074 14.176 15.194 1.00 0.00 H new ATOM 599 N GLN A 42 -8.892 14.315 17.757 1.00 0.00 N ATOM 600 CA GLN A 42 -10.357 14.258 17.719 1.00 0.00 C ATOM 601 C GLN A 42 -10.951 14.331 16.305 1.00 0.00 C ATOM 602 O GLN A 42 -11.900 13.606 16.021 1.00 0.00 O ATOM 603 CB GLN A 42 -10.967 15.355 18.619 1.00 0.00 C ATOM 604 CG GLN A 42 -10.579 16.824 18.351 1.00 0.00 C ATOM 605 CD GLN A 42 -9.172 17.236 18.807 1.00 0.00 C ATOM 606 OE1 GLN A 42 -8.448 16.507 19.476 1.00 0.00 O ATOM 607 NE2 GLN A 42 -8.735 18.429 18.465 1.00 0.00 N ATOM 0 H GLN A 42 -8.539 15.004 18.421 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.625 13.274 18.105 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.052 15.279 18.545 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.701 15.124 19.650 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.664 17.013 17.281 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.305 17.468 18.847 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.325 19.048 17.909 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.807 18.735 18.756 1.00 0.00 H new ATOM 616 N LEU A 43 -10.388 15.140 15.400 1.00 0.00 N ATOM 617 CA LEU A 43 -10.904 15.278 14.036 1.00 0.00 C ATOM 618 C LEU A 43 -10.560 14.061 13.170 1.00 0.00 C ATOM 619 O LEU A 43 -11.385 13.612 12.379 1.00 0.00 O ATOM 620 CB LEU A 43 -10.346 16.567 13.410 1.00 0.00 C ATOM 621 CG LEU A 43 -10.598 17.870 14.194 1.00 0.00 C ATOM 622 CD1 LEU A 43 -10.050 19.061 13.399 1.00 0.00 C ATOM 623 CD2 LEU A 43 -12.087 18.081 14.489 1.00 0.00 C ATOM 0 H LEU A 43 -9.567 15.714 15.592 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.991 15.336 14.083 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.270 16.447 13.281 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.776 16.678 12.414 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.081 17.791 15.151 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.229 19.982 13.954 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.979 18.933 13.244 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.553 19.116 12.433 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.220 19.010 15.043 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.640 18.135 13.551 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.462 17.248 15.083 1.00 0.00 H new ATOM 635 N ALA A 44 -9.368 13.489 13.357 1.00 0.00 N ATOM 636 CA ALA A 44 -8.947 12.256 12.695 1.00 0.00 C ATOM 637 C ALA A 44 -9.676 11.021 13.264 1.00 0.00 C ATOM 638 O ALA A 44 -10.068 10.133 12.507 1.00 0.00 O ATOM 639 CB ALA A 44 -7.423 12.147 12.817 1.00 0.00 C ATOM 0 H ALA A 44 -8.660 13.876 13.981 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.220 12.289 11.640 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.083 11.233 12.330 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.957 13.008 12.338 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.143 12.122 13.870 1.00 0.00 H new ATOM 645 N VAL A 45 -9.926 10.997 14.575 1.00 0.00 N ATOM 646 CA VAL A 45 -10.779 10.002 15.249 1.00 0.00 C ATOM 647 C VAL A 45 -12.209 10.075 14.704 1.00 0.00 C ATOM 648 O VAL A 45 -12.733 9.055 14.275 1.00 0.00 O ATOM 649 CB VAL A 45 -10.752 10.184 16.788 1.00 0.00 C ATOM 650 CG1 VAL A 45 -11.831 9.360 17.511 1.00 0.00 C ATOM 651 CG2 VAL A 45 -9.383 9.779 17.362 1.00 0.00 C ATOM 0 H VAL A 45 -9.533 11.684 15.218 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.381 9.010 15.037 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.949 11.242 16.961 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.760 9.530 18.585 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.817 9.664 17.160 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.682 8.301 17.301 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.387 9.915 18.443 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.186 8.733 17.129 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.605 10.402 16.921 1.00 0.00 H new ATOM 661 N ALA A 46 -12.823 11.265 14.649 1.00 0.00 N ATOM 662 CA ALA A 46 -14.157 11.461 14.074 1.00 0.00 C ATOM 663 C ALA A 46 -14.226 10.997 12.608 1.00 0.00 C ATOM 664 O ALA A 46 -15.115 10.231 12.247 1.00 0.00 O ATOM 665 CB ALA A 46 -14.525 12.935 14.239 1.00 0.00 C ATOM 0 H ALA A 46 -12.403 12.124 15.005 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.885 10.844 14.601 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.515 13.112 13.819 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.528 13.193 15.298 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.794 13.553 13.717 1.00 0.00 H new ATOM 671 N TYR A 47 -13.243 11.366 11.784 1.00 0.00 N ATOM 672 CA TYR A 47 -13.085 10.880 10.406 1.00 0.00 C ATOM 673 C TYR A 47 -13.011 9.341 10.334 1.00 0.00 C ATOM 674 O TYR A 47 -13.739 8.727 9.556 1.00 0.00 O ATOM 675 CB TYR A 47 -11.841 11.561 9.815 1.00 0.00 C ATOM 676 CG TYR A 47 -11.340 10.995 8.502 1.00 0.00 C ATOM 677 CD1 TYR A 47 -10.390 9.956 8.517 1.00 0.00 C ATOM 678 CD2 TYR A 47 -11.768 11.545 7.279 1.00 0.00 C ATOM 679 CE1 TYR A 47 -9.867 9.455 7.313 1.00 0.00 C ATOM 680 CE2 TYR A 47 -11.242 11.051 6.068 1.00 0.00 C ATOM 681 CZ TYR A 47 -10.299 10.000 6.083 1.00 0.00 C ATOM 682 OH TYR A 47 -9.827 9.490 4.916 1.00 0.00 O ATOM 0 H TYR A 47 -12.516 12.026 12.060 1.00 0.00 H new ATOM 0 HA TYR A 47 -13.962 11.142 9.814 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.063 12.619 9.672 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.035 11.500 10.546 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.062 9.542 9.459 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.496 12.342 7.268 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.139 8.658 7.328 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.561 11.477 5.128 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.065 8.541 4.854 1.00 0.00 H new ATOM 692 N HIS A 48 -12.198 8.698 11.177 1.00 0.00 N ATOM 693 CA HIS A 48 -12.083 7.232 11.232 1.00 0.00 C ATOM 694 C HIS A 48 -13.409 6.545 11.644 1.00 0.00 C ATOM 695 O HIS A 48 -13.846 5.601 10.983 1.00 0.00 O ATOM 696 CB HIS A 48 -10.924 6.879 12.180 1.00 0.00 C ATOM 697 CG HIS A 48 -10.631 5.401 12.256 1.00 0.00 C ATOM 698 ND1 HIS A 48 -9.908 4.661 11.348 1.00 0.00 N ATOM 699 CD2 HIS A 48 -11.019 4.547 13.252 1.00 0.00 C ATOM 700 CE1 HIS A 48 -9.865 3.390 11.787 1.00 0.00 C ATOM 701 NE2 HIS A 48 -10.531 3.268 12.950 1.00 0.00 N ATOM 0 H HIS A 48 -11.597 9.180 11.845 1.00 0.00 H new ATOM 0 HA HIS A 48 -11.869 6.850 10.234 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.026 7.402 11.852 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.159 7.246 13.179 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -11.601 4.813 14.122 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.365 2.580 11.277 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -10.655 2.418 13.500 1.00 0.00 H new ATOM 709 N LEU A 49 -14.091 7.061 12.678 1.00 0.00 N ATOM 710 CA LEU A 49 -15.416 6.606 13.132 1.00 0.00 C ATOM 711 C LEU A 49 -16.491 6.794 12.049 1.00 0.00 C ATOM 712 O LEU A 49 -17.359 5.938 11.882 1.00 0.00 O ATOM 713 CB LEU A 49 -15.786 7.385 14.415 1.00 0.00 C ATOM 714 CG LEU A 49 -15.365 6.730 15.752 1.00 0.00 C ATOM 715 CD1 LEU A 49 -13.914 6.229 15.814 1.00 0.00 C ATOM 716 CD2 LEU A 49 -15.596 7.736 16.889 1.00 0.00 C ATOM 0 H LEU A 49 -13.725 7.830 13.239 1.00 0.00 H new ATOM 0 HA LEU A 49 -15.372 5.537 13.341 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.332 8.374 14.359 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -16.866 7.531 14.429 1.00 0.00 H new ATOM 0 HG LEU A 49 -15.984 5.838 15.851 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.723 5.788 16.792 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.755 5.478 15.040 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -13.233 7.065 15.653 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.303 7.286 17.838 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.998 8.630 16.711 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -16.651 8.007 16.926 1.00 0.00 H new ATOM 728 N ILE A 50 -16.435 7.891 11.291 1.00 0.00 N ATOM 729 CA ILE A 50 -17.349 8.166 10.170 1.00 0.00 C ATOM 730 C ILE A 50 -17.071 7.244 8.978 1.00 0.00 C ATOM 731 O ILE A 50 -18.025 6.794 8.349 1.00 0.00 O ATOM 732 CB ILE A 50 -17.313 9.676 9.845 1.00 0.00 C ATOM 733 CG1 ILE A 50 -18.116 10.401 10.954 1.00 0.00 C ATOM 734 CG2 ILE A 50 -17.871 10.026 8.453 1.00 0.00 C ATOM 735 CD1 ILE A 50 -17.897 11.911 10.977 1.00 0.00 C ATOM 0 H ILE A 50 -15.744 8.627 11.437 1.00 0.00 H new ATOM 0 HA ILE A 50 -18.375 7.931 10.452 1.00 0.00 H new ATOM 0 HB ILE A 50 -16.273 10.001 9.819 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -19.178 10.198 10.814 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -17.837 9.987 11.923 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -17.812 11.103 8.298 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -17.285 9.517 7.688 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -18.911 9.706 8.387 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -18.490 12.352 11.778 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.842 12.123 11.148 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -18.203 12.338 10.022 1.00 0.00 H new ATOM 747 N ILE A 51 -15.813 6.877 8.707 1.00 0.00 N ATOM 748 CA ILE A 51 -15.482 5.826 7.723 1.00 0.00 C ATOM 749 C ILE A 51 -16.014 4.459 8.169 1.00 0.00 C ATOM 750 O ILE A 51 -16.600 3.755 7.349 1.00 0.00 O ATOM 751 CB ILE A 51 -13.969 5.830 7.382 1.00 0.00 C ATOM 752 CG1 ILE A 51 -13.705 7.047 6.464 1.00 0.00 C ATOM 753 CG2 ILE A 51 -13.519 4.521 6.702 1.00 0.00 C ATOM 754 CD1 ILE A 51 -12.264 7.226 5.979 1.00 0.00 C ATOM 0 H ILE A 51 -14.998 7.293 9.157 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.995 6.051 6.788 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.389 5.903 8.302 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -14.353 6.965 5.591 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.002 7.950 6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.452 4.573 6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.713 3.680 7.368 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.074 4.384 5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -12.201 8.110 5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.604 7.348 6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -11.960 6.348 5.409 1.00 0.00 H new ATOM 766 N ASP A 52 -15.893 4.095 9.447 1.00 0.00 N ATOM 767 CA ASP A 52 -16.479 2.860 9.991 1.00 0.00 C ATOM 768 C ASP A 52 -18.012 2.827 9.825 1.00 0.00 C ATOM 769 O ASP A 52 -18.563 1.810 9.397 1.00 0.00 O ATOM 770 CB ASP A 52 -16.100 2.706 11.470 1.00 0.00 C ATOM 771 CG ASP A 52 -16.439 1.305 11.999 1.00 0.00 C ATOM 772 OD1 ASP A 52 -15.628 0.374 11.776 1.00 0.00 O ATOM 773 OD2 ASP A 52 -17.497 1.145 12.656 1.00 0.00 O ATOM 0 H ASP A 52 -15.386 4.647 10.139 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.072 2.023 9.424 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.033 2.894 11.594 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.627 3.456 12.061 1.00 0.00 H new ATOM 778 N ASN A 53 -18.693 3.953 10.073 1.00 0.00 N ATOM 779 CA ASN A 53 -20.125 4.104 9.798 1.00 0.00 C ATOM 780 C ASN A 53 -20.424 3.938 8.295 1.00 0.00 C ATOM 781 O ASN A 53 -21.180 3.039 7.924 1.00 0.00 O ATOM 782 CB ASN A 53 -20.646 5.440 10.364 1.00 0.00 C ATOM 783 CG ASN A 53 -21.005 5.327 11.845 1.00 0.00 C ATOM 784 OD1 ASN A 53 -22.167 5.176 12.205 1.00 0.00 O ATOM 785 ND2 ASN A 53 -20.037 5.382 12.743 1.00 0.00 N ATOM 0 H ASN A 53 -18.263 4.788 10.472 1.00 0.00 H new ATOM 0 HA ASN A 53 -20.666 3.307 10.309 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -19.887 6.211 10.232 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -21.524 5.756 9.800 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -20.257 5.299 13.736 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -19.070 5.508 12.444 1.00 0.00 H new ATOM 792 N ARG A 54 -19.779 4.732 7.432 1.00 0.00 N ATOM 793 CA ARG A 54 -19.895 4.721 5.960 1.00 0.00 C ATOM 794 C ARG A 54 -19.631 3.343 5.327 1.00 0.00 C ATOM 795 O ARG A 54 -20.268 2.997 4.331 1.00 0.00 O ATOM 796 CB ARG A 54 -18.916 5.789 5.441 1.00 0.00 C ATOM 797 CG ARG A 54 -18.717 5.875 3.920 1.00 0.00 C ATOM 798 CD ARG A 54 -17.705 6.995 3.618 1.00 0.00 C ATOM 799 NE ARG A 54 -17.173 6.916 2.248 1.00 0.00 N ATOM 800 CZ ARG A 54 -17.755 7.349 1.138 1.00 0.00 C ATOM 801 NH1 ARG A 54 -18.991 7.799 1.111 1.00 0.00 N ATOM 802 NH2 ARG A 54 -17.058 7.367 0.030 1.00 0.00 N ATOM 0 H ARG A 54 -19.123 5.442 7.756 1.00 0.00 H new ATOM 0 HA ARG A 54 -20.922 4.946 5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -19.259 6.762 5.793 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -17.944 5.609 5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -18.354 4.923 3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -19.667 6.080 3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -18.184 7.963 3.763 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.881 6.938 4.329 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.257 6.481 2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -19.543 7.825 1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.397 8.122 0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.088 7.052 0.033 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.485 7.696 -0.836 1.00 0.00 H new ATOM 816 N ARG A 55 -18.729 2.552 5.913 1.00 0.00 N ATOM 817 CA ARG A 55 -18.399 1.183 5.500 1.00 0.00 C ATOM 818 C ARG A 55 -19.394 0.149 6.053 1.00 0.00 C ATOM 819 O ARG A 55 -19.977 -0.609 5.282 1.00 0.00 O ATOM 820 CB ARG A 55 -16.950 0.890 5.939 1.00 0.00 C ATOM 821 CG ARG A 55 -16.425 -0.503 5.561 1.00 0.00 C ATOM 822 CD ARG A 55 -16.364 -0.747 4.047 1.00 0.00 C ATOM 823 NE ARG A 55 -15.808 -2.078 3.753 1.00 0.00 N ATOM 824 CZ ARG A 55 -15.611 -2.604 2.546 1.00 0.00 C ATOM 825 NH1 ARG A 55 -15.912 -1.952 1.444 1.00 0.00 N ATOM 826 NH2 ARG A 55 -15.107 -3.814 2.437 1.00 0.00 N ATOM 0 H ARG A 55 -18.186 2.859 6.720 1.00 0.00 H new ATOM 0 HA ARG A 55 -18.478 1.100 4.416 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -16.294 1.641 5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.884 1.005 7.021 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.428 -0.633 5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -17.064 -1.259 6.017 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -17.363 -0.663 3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.751 0.020 3.575 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.548 -2.654 4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.309 -1.014 1.499 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.748 -2.384 0.535 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.869 -4.345 3.275 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.954 -4.222 1.515 1.00 0.00 H new ATOM 840 N ILE A 56 -19.574 0.087 7.376 1.00 0.00 N ATOM 841 CA ILE A 56 -20.339 -0.981 8.054 1.00 0.00 C ATOM 842 C ILE A 56 -21.790 -0.569 8.297 1.00 0.00 C ATOM 843 O ILE A 56 -22.702 -1.218 7.789 1.00 0.00 O ATOM 844 CB ILE A 56 -19.626 -1.433 9.359 1.00 0.00 C ATOM 845 CG1 ILE A 56 -18.181 -1.898 9.048 1.00 0.00 C ATOM 846 CG2 ILE A 56 -20.433 -2.554 10.051 1.00 0.00 C ATOM 847 CD1 ILE A 56 -17.394 -2.413 10.260 1.00 0.00 C ATOM 0 H ILE A 56 -19.192 0.781 8.019 1.00 0.00 H new ATOM 0 HA ILE A 56 -20.372 -1.844 7.389 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.570 -0.586 10.042 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -18.222 -2.688 8.298 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.634 -1.066 8.605 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -19.921 -2.860 10.963 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.428 -2.186 10.299 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -20.519 -3.408 9.379 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -16.396 -2.715 9.944 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.315 -1.622 11.005 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -17.912 -3.269 10.693 1.00 0.00 H new ATOM 859 N MET A 57 -22.024 0.516 9.038 1.00 0.00 N ATOM 860 CA MET A 57 -23.380 0.876 9.507 1.00 0.00 C ATOM 861 C MET A 57 -24.314 1.244 8.347 1.00 0.00 C ATOM 862 O MET A 57 -25.500 0.922 8.373 1.00 0.00 O ATOM 863 CB MET A 57 -23.324 2.000 10.553 1.00 0.00 C ATOM 864 CG MET A 57 -22.477 1.627 11.780 1.00 0.00 C ATOM 865 SD MET A 57 -23.034 0.157 12.682 1.00 0.00 S ATOM 866 CE MET A 57 -21.717 0.078 13.923 1.00 0.00 C ATOM 0 H MET A 57 -21.296 1.167 9.331 1.00 0.00 H new ATOM 0 HA MET A 57 -23.799 -0.010 9.984 1.00 0.00 H new ATOM 0 HB2 MET A 57 -22.913 2.899 10.093 1.00 0.00 H new ATOM 0 HB3 MET A 57 -24.337 2.241 10.876 1.00 0.00 H new ATOM 0 HG2 MET A 57 -21.448 1.468 11.457 1.00 0.00 H new ATOM 0 HG3 MET A 57 -22.468 2.474 12.467 1.00 0.00 H new ATOM 0 HE1 MET A 57 -21.888 -0.774 14.581 1.00 0.00 H new ATOM 0 HE2 MET A 57 -20.754 -0.035 13.425 1.00 0.00 H new ATOM 0 HE3 MET A 57 -21.716 0.996 14.511 1.00 0.00 H new ATOM 876 N ASN A 58 -23.750 1.817 7.283 1.00 0.00 N ATOM 877 CA ASN A 58 -24.400 2.078 5.996 1.00 0.00 C ATOM 878 C ASN A 58 -24.991 0.809 5.335 1.00 0.00 C ATOM 879 O ASN A 58 -25.994 0.889 4.623 1.00 0.00 O ATOM 880 CB ASN A 58 -23.319 2.716 5.111 1.00 0.00 C ATOM 881 CG ASN A 58 -23.789 3.213 3.747 1.00 0.00 C ATOM 882 OD1 ASN A 58 -24.950 3.531 3.520 1.00 0.00 O ATOM 883 ND2 ASN A 58 -22.871 3.318 2.803 1.00 0.00 N ATOM 0 H ASN A 58 -22.779 2.128 7.295 1.00 0.00 H new ATOM 0 HA ASN A 58 -25.260 2.732 6.136 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -22.881 3.555 5.652 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -22.524 1.986 4.957 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -23.127 3.665 1.879 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -21.906 3.052 2.998 1.00 0.00 H new ATOM 890 N GLN A 59 -24.385 -0.365 5.569 1.00 0.00 N ATOM 891 CA GLN A 59 -24.855 -1.660 5.051 1.00 0.00 C ATOM 892 C GLN A 59 -25.674 -2.440 6.098 1.00 0.00 C ATOM 893 O GLN A 59 -26.634 -3.119 5.733 1.00 0.00 O ATOM 894 CB GLN A 59 -23.648 -2.498 4.589 1.00 0.00 C ATOM 895 CG GLN A 59 -22.913 -1.876 3.388 1.00 0.00 C ATOM 896 CD GLN A 59 -21.803 -2.794 2.869 1.00 0.00 C ATOM 897 OE1 GLN A 59 -22.002 -3.633 1.995 1.00 0.00 O ATOM 898 NE2 GLN A 59 -20.595 -2.692 3.388 1.00 0.00 N ATOM 0 H GLN A 59 -23.539 -0.443 6.134 1.00 0.00 H new ATOM 0 HA GLN A 59 -25.515 -1.463 4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -22.950 -2.609 5.419 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -23.987 -3.499 4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -23.626 -1.678 2.588 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -22.486 -0.916 3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -20.409 -2.001 4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -19.847 -3.304 3.062 1.00 0.00 H new ATOM 907 N ALA A 60 -25.315 -2.353 7.387 1.00 0.00 N ATOM 908 CA ALA A 60 -25.988 -3.060 8.480 1.00 0.00 C ATOM 909 C ALA A 60 -27.356 -2.454 8.865 1.00 0.00 C ATOM 910 O ALA A 60 -28.259 -3.188 9.272 1.00 0.00 O ATOM 911 CB ALA A 60 -25.035 -3.082 9.680 1.00 0.00 C ATOM 0 H ALA A 60 -24.534 -1.778 7.702 1.00 0.00 H new ATOM 0 HA ALA A 60 -26.218 -4.071 8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -25.509 -3.603 10.512 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -24.116 -3.599 9.405 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -24.802 -2.060 9.978 1.00 0.00 H new ATOM 917 N SER A 61 -27.524 -1.135 8.747 1.00 0.00 N ATOM 918 CA SER A 61 -28.786 -0.430 9.025 1.00 0.00 C ATOM 919 C SER A 61 -29.701 -0.320 7.783 1.00 0.00 C ATOM 920 O SER A 61 -29.233 -0.361 6.639 1.00 0.00 O ATOM 921 CB SER A 61 -28.479 0.962 9.603 1.00 0.00 C ATOM 922 OG SER A 61 -29.620 1.524 10.235 1.00 0.00 O ATOM 0 H SER A 61 -26.774 -0.511 8.450 1.00 0.00 H new ATOM 0 HA SER A 61 -29.338 -1.020 9.756 1.00 0.00 H new ATOM 0 HB2 SER A 61 -27.663 0.887 10.322 1.00 0.00 H new ATOM 0 HB3 SER A 61 -28.141 1.623 8.805 1.00 0.00 H new ATOM 0 HG SER A 61 -29.393 2.407 10.594 1.00 0.00 H new ATOM 928 N GLU A 62 -31.013 -0.155 8.007 1.00 0.00 N ATOM 929 CA GLU A 62 -32.078 -0.072 6.984 1.00 0.00 C ATOM 930 C GLU A 62 -33.331 0.670 7.497 1.00 0.00 C ATOM 931 O GLU A 62 -33.749 1.646 6.833 1.00 0.00 O ATOM 932 CB GLU A 62 -32.423 -1.488 6.472 1.00 0.00 C ATOM 933 CG GLU A 62 -33.409 -1.472 5.296 1.00 0.00 C ATOM 934 CD GLU A 62 -33.677 -2.898 4.765 1.00 0.00 C ATOM 935 OE1 GLU A 62 -34.563 -3.607 5.305 1.00 0.00 O ATOM 936 OE2 GLU A 62 -33.008 -3.324 3.788 1.00 0.00 O ATOM 937 OXT GLU A 62 -33.879 0.296 8.560 1.00 0.00 O ATOM 0 H GLU A 62 -31.384 -0.071 8.953 1.00 0.00 H new ATOM 0 HA GLU A 62 -31.699 0.520 6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -31.506 -1.991 6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -32.848 -2.071 7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -34.348 -1.018 5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -33.010 -0.852 4.493 1.00 0.00 H new TER 944 GLU A 62