USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1048 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 111 HIS :FLIP no HE2:sc= -2.22 F(o=-3.8,f=-1.2) USER MOD Set 1.2: A 113 THR OG1 : rot 109:sc= 1.01 USER MOD Set 2.1: A 25 LYS NZ :NH3+ -148:sc= 1.31 (180deg=0.507) USER MOD Set 2.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 1 GLN N :NH3+ 150:sc= -0.455 (180deg=-1.83!) USER MOD Single : A 5 THR OG1 : rot 72:sc= 1.27 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.391 USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0215) USER MOD Single : A 18 MET CE :methyl 155:sc= -0.0548 (180deg=-0.42) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.572 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 29 GLN : amide:sc= -0.0751 X(o=-0.075,f=0) USER MOD Single : A 30 THR OG1 : rot 151:sc= 1.37 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -61:sc= 0.479 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc=-0.000634 X(o=-0.00063,f=-0.056) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= 0.0311 (180deg=0.0155) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 141:sc= 1.17 (180deg=0.881) USER MOD Single : A 60 HIS : no HE2:sc= 0.32 K(o=0.32,f=-1.1) USER MOD Single : A 61 SER OG : rot -34:sc= 0.117 USER MOD Single : A 62 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.9!) USER MOD Single : A 63 ASN : amide:sc= -0.499 K(o=-0.5,f=-1.1!) USER MOD Single : A 73 LYS NZ :NH3+ 157:sc= -0.0559 (180deg=-0.352) USER MOD Single : A 74 SER OG : rot -60:sc= 0.245 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 55:sc= 0.108 USER MOD Single : A 80 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0703) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -74:sc= 1.15 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.379 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot -165:sc= -5.66! USER MOD Single : A 106 GLN : amide:sc= -1.83 X(o=-1.8,f=-1.8!) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 MET CE :methyl -169:sc= -8.4! (180deg=-9.46!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -8.545 12.927 12.114 1.00 0.00 N ATOM 2 CA GLN A 1 -7.812 11.765 11.541 1.00 0.00 C ATOM 3 C GLN A 1 -8.499 11.250 10.279 1.00 0.00 C ATOM 4 O GLN A 1 -8.437 10.061 9.968 1.00 0.00 O ATOM 5 CB GLN A 1 -7.743 10.656 12.595 1.00 0.00 C ATOM 6 CG GLN A 1 -9.084 10.340 13.241 1.00 0.00 C ATOM 7 CD GLN A 1 -8.979 10.164 14.743 1.00 0.00 C ATOM 8 OE1 GLN A 1 -9.327 9.114 15.282 1.00 0.00 O ATOM 9 NE2 GLN A 1 -8.498 11.195 15.428 1.00 0.00 N ATOM 0 H1 GLN A 1 -8.416 12.944 13.146 1.00 0.00 H new ATOM 0 H2 GLN A 1 -8.174 13.808 11.704 1.00 0.00 H new ATOM 0 H3 GLN A 1 -9.558 12.842 11.893 1.00 0.00 H new ATOM 0 HA GLN A 1 -6.806 12.080 11.265 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -7.351 9.751 12.132 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -7.036 10.949 13.371 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -9.788 11.143 13.021 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -9.491 9.430 12.800 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -8.221 12.047 14.940 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -8.405 11.135 16.442 1.00 0.00 H new ATOM 20 N PHE A 2 -9.151 12.156 9.557 1.00 0.00 N ATOM 21 CA PHE A 2 -9.850 11.798 8.329 1.00 0.00 C ATOM 22 C PHE A 2 -10.907 10.715 8.596 1.00 0.00 C ATOM 23 O PHE A 2 -11.902 10.980 9.270 1.00 0.00 O ATOM 24 CB PHE A 2 -8.841 11.351 7.259 1.00 0.00 C ATOM 25 CG PHE A 2 -9.450 11.083 5.907 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.723 11.540 5.593 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.745 10.372 4.947 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.276 11.293 4.351 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.296 10.124 3.704 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.562 10.583 3.406 1.00 0.00 C ATOM 0 H PHE A 2 -9.209 13.144 9.802 1.00 0.00 H new ATOM 0 HA PHE A 2 -10.375 12.677 7.954 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -8.076 12.120 7.154 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -8.339 10.447 7.604 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -11.287 12.095 6.328 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.754 10.008 5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.267 11.655 4.119 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -8.735 9.570 2.966 1.00 0.00 H new ATOM 0 HZ PHE A 2 -10.994 10.388 2.436 1.00 0.00 H new ATOM 40 N ASP A 3 -10.694 9.502 8.079 1.00 0.00 N ATOM 41 CA ASP A 3 -11.638 8.404 8.280 1.00 0.00 C ATOM 42 C ASP A 3 -11.198 7.155 7.521 1.00 0.00 C ATOM 43 O ASP A 3 -11.462 6.032 7.951 1.00 0.00 O ATOM 44 CB ASP A 3 -13.042 8.802 7.823 1.00 0.00 C ATOM 45 CG ASP A 3 -14.120 7.971 8.492 1.00 0.00 C ATOM 46 OD1 ASP A 3 -14.055 7.797 9.728 1.00 0.00 O ATOM 47 OD2 ASP A 3 -15.029 7.494 7.782 1.00 0.00 O ATOM 0 H ASP A 3 -9.877 9.258 7.519 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.656 8.183 9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.209 9.856 8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.116 8.687 6.742 1.00 0.00 H new ATOM 52 N LEU A 4 -10.535 7.362 6.384 1.00 0.00 N ATOM 53 CA LEU A 4 -10.062 6.260 5.544 1.00 0.00 C ATOM 54 C LEU A 4 -9.511 5.107 6.376 1.00 0.00 C ATOM 55 O LEU A 4 -8.424 5.198 6.944 1.00 0.00 O ATOM 56 CB LEU A 4 -8.987 6.755 4.577 1.00 0.00 C ATOM 57 CG LEU A 4 -9.016 6.107 3.192 1.00 0.00 C ATOM 58 CD1 LEU A 4 -8.647 7.123 2.120 1.00 0.00 C ATOM 59 CD2 LEU A 4 -8.079 4.907 3.146 1.00 0.00 C ATOM 0 H LEU A 4 -10.312 8.289 6.021 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.919 5.890 4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.094 7.833 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.009 6.579 5.024 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.029 5.757 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.673 6.645 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.359 7.948 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.644 7.505 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.112 4.458 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.061 5.231 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.392 4.172 3.888 1.00 0.00 H new ATOM 71 N THR A 5 -10.270 4.019 6.431 1.00 0.00 N ATOM 72 CA THR A 5 -9.865 2.838 7.177 1.00 0.00 C ATOM 73 C THR A 5 -9.936 1.603 6.288 1.00 0.00 C ATOM 74 O THR A 5 -11.004 1.018 6.107 1.00 0.00 O ATOM 75 CB THR A 5 -10.758 2.652 8.405 1.00 0.00 C ATOM 76 OG1 THR A 5 -10.710 3.796 9.240 1.00 0.00 O ATOM 77 CG2 THR A 5 -10.376 1.454 9.246 1.00 0.00 C ATOM 0 H THR A 5 -11.173 3.932 5.965 1.00 0.00 H new ATOM 0 HA THR A 5 -8.836 2.974 7.510 1.00 0.00 H new ATOM 0 HB THR A 5 -11.762 2.494 8.010 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.193 4.534 8.812 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.049 1.380 10.100 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.452 0.548 8.645 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.352 1.570 9.600 1.00 0.00 H new ATOM 85 N VAL A 6 -8.797 1.215 5.727 1.00 0.00 N ATOM 86 CA VAL A 6 -8.741 0.055 4.848 1.00 0.00 C ATOM 87 C VAL A 6 -8.249 -1.179 5.583 1.00 0.00 C ATOM 88 O VAL A 6 -7.458 -1.090 6.522 1.00 0.00 O ATOM 89 CB VAL A 6 -7.810 0.295 3.639 1.00 0.00 C ATOM 90 CG1 VAL A 6 -7.889 -0.868 2.658 1.00 0.00 C ATOM 91 CG2 VAL A 6 -8.141 1.614 2.955 1.00 0.00 C ATOM 0 H VAL A 6 -7.903 1.685 5.865 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.761 -0.105 4.498 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.785 0.356 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.226 -0.678 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.585 -1.787 3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.913 -0.972 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.473 1.762 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.173 1.593 2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.015 2.433 3.663 1.00 0.00 H new ATOM 101 N GLY A 7 -8.705 -2.333 5.124 1.00 0.00 N ATOM 102 CA GLY A 7 -8.287 -3.585 5.711 1.00 0.00 C ATOM 103 C GLY A 7 -7.869 -4.558 4.636 1.00 0.00 C ATOM 104 O GLY A 7 -8.697 -5.000 3.839 1.00 0.00 O ATOM 0 H GLY A 7 -9.362 -2.424 4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.458 -3.413 6.397 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.102 -4.009 6.297 1.00 0.00 H new ATOM 108 N ILE A 8 -6.586 -4.883 4.593 1.00 0.00 N ATOM 109 CA ILE A 8 -6.085 -5.796 3.582 1.00 0.00 C ATOM 110 C ILE A 8 -6.168 -7.242 4.065 1.00 0.00 C ATOM 111 O ILE A 8 -5.518 -7.625 5.037 1.00 0.00 O ATOM 112 CB ILE A 8 -4.629 -5.456 3.191 1.00 0.00 C ATOM 113 CG1 ILE A 8 -4.558 -4.046 2.593 1.00 0.00 C ATOM 114 CG2 ILE A 8 -4.083 -6.479 2.204 1.00 0.00 C ATOM 115 CD1 ILE A 8 -3.151 -3.485 2.509 1.00 0.00 C ATOM 0 H ILE A 8 -5.880 -4.531 5.240 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.715 -5.682 2.700 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.014 -5.488 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.992 -4.063 1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.171 -3.375 3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.057 -6.220 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.103 -7.470 2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.698 -6.480 1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.183 -2.485 2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.720 -3.434 3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.538 -4.133 1.882 1.00 0.00 H new ATOM 127 N THR A 9 -6.971 -8.040 3.366 1.00 0.00 N ATOM 128 CA THR A 9 -7.149 -9.448 3.702 1.00 0.00 C ATOM 129 C THR A 9 -7.596 -10.227 2.472 1.00 0.00 C ATOM 130 O THR A 9 -8.349 -9.701 1.655 1.00 0.00 O ATOM 131 CB THR A 9 -8.174 -9.607 4.825 1.00 0.00 C ATOM 132 OG1 THR A 9 -7.991 -8.609 5.813 1.00 0.00 O ATOM 133 CG2 THR A 9 -8.105 -10.954 5.513 1.00 0.00 C ATOM 0 H THR A 9 -7.512 -7.732 2.558 1.00 0.00 H new ATOM 0 HA THR A 9 -6.194 -9.845 4.046 1.00 0.00 H new ATOM 0 HB THR A 9 -9.148 -9.514 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.657 -8.725 6.523 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.859 -11.000 6.299 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.291 -11.744 4.785 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.116 -11.089 5.951 1.00 0.00 H new ATOM 141 N ASP A 10 -7.116 -11.474 2.350 1.00 0.00 N ATOM 142 CA ASP A 10 -7.438 -12.363 1.217 1.00 0.00 C ATOM 143 C ASP A 10 -6.198 -12.712 0.388 1.00 0.00 C ATOM 144 O ASP A 10 -6.126 -13.799 -0.184 1.00 0.00 O ATOM 145 CB ASP A 10 -8.497 -11.765 0.284 1.00 0.00 C ATOM 146 CG ASP A 10 -9.873 -11.713 0.920 1.00 0.00 C ATOM 147 OD1 ASP A 10 -9.949 -11.639 2.165 1.00 0.00 O ATOM 148 OD2 ASP A 10 -10.873 -11.748 0.173 1.00 0.00 O ATOM 0 H ASP A 10 -6.491 -11.898 3.036 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.838 -13.270 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.195 -10.758 -0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.546 -12.356 -0.630 1.00 0.00 H new ATOM 153 N PRO A 11 -5.207 -11.797 0.288 1.00 0.00 N ATOM 154 CA PRO A 11 -3.993 -12.036 -0.499 1.00 0.00 C ATOM 155 C PRO A 11 -3.445 -13.449 -0.350 1.00 0.00 C ATOM 156 O PRO A 11 -2.732 -13.759 0.603 1.00 0.00 O ATOM 157 CB PRO A 11 -3.022 -11.012 0.072 1.00 0.00 C ATOM 158 CG PRO A 11 -3.894 -9.859 0.418 1.00 0.00 C ATOM 159 CD PRO A 11 -5.184 -10.457 0.911 1.00 0.00 C ATOM 0 HA PRO A 11 -4.173 -11.938 -1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.501 -11.398 0.948 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.259 -10.734 -0.655 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.433 -9.236 1.185 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.064 -9.222 -0.450 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.206 -10.520 1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.044 -9.860 0.609 1.00 0.00 H new ATOM 167 N GLU A 12 -3.778 -14.296 -1.316 1.00 0.00 N ATOM 168 CA GLU A 12 -3.321 -15.678 -1.323 1.00 0.00 C ATOM 169 C GLU A 12 -2.648 -15.991 -2.652 1.00 0.00 C ATOM 170 O GLU A 12 -2.678 -15.178 -3.574 1.00 0.00 O ATOM 171 CB GLU A 12 -4.494 -16.632 -1.091 1.00 0.00 C ATOM 172 CG GLU A 12 -5.723 -16.299 -1.920 1.00 0.00 C ATOM 173 CD GLU A 12 -6.975 -16.984 -1.408 1.00 0.00 C ATOM 174 OE1 GLU A 12 -7.545 -16.506 -0.405 1.00 0.00 O ATOM 175 OE2 GLU A 12 -7.386 -17.998 -2.011 1.00 0.00 O ATOM 0 H GLU A 12 -4.368 -14.046 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.601 -15.813 -0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.175 -17.649 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.763 -16.614 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.877 -15.220 -1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.549 -16.594 -2.955 1.00 0.00 H new ATOM 182 N LYS A 13 -2.041 -17.165 -2.753 1.00 0.00 N ATOM 183 CA LYS A 13 -1.370 -17.557 -3.984 1.00 0.00 C ATOM 184 C LYS A 13 -2.385 -17.800 -5.096 1.00 0.00 C ATOM 185 O LYS A 13 -3.015 -18.855 -5.161 1.00 0.00 O ATOM 186 CB LYS A 13 -0.523 -18.807 -3.752 1.00 0.00 C ATOM 187 CG LYS A 13 0.419 -19.125 -4.902 1.00 0.00 C ATOM 188 CD LYS A 13 1.484 -18.050 -5.063 1.00 0.00 C ATOM 189 CE LYS A 13 2.866 -18.657 -5.242 1.00 0.00 C ATOM 190 NZ LYS A 13 3.376 -19.260 -3.979 1.00 0.00 N ATOM 0 H LYS A 13 -1.999 -17.857 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.713 -16.744 -4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.061 -18.676 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.184 -19.658 -3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.897 -20.089 -4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.151 -19.215 -5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.245 -17.426 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.482 -17.400 -4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.829 -19.420 -6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.559 -17.888 -5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.374 -19.525 -4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.292 -18.569 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.818 -20.107 -3.749 1.00 0.00 H new ATOM 204 N ILE A 14 -2.539 -16.803 -5.962 1.00 0.00 N ATOM 205 CA ILE A 14 -3.479 -16.881 -7.074 1.00 0.00 C ATOM 206 C ILE A 14 -3.016 -17.874 -8.133 1.00 0.00 C ATOM 207 O ILE A 14 -1.819 -18.096 -8.310 1.00 0.00 O ATOM 208 CB ILE A 14 -3.671 -15.504 -7.746 1.00 0.00 C ATOM 209 CG1 ILE A 14 -3.854 -14.397 -6.702 1.00 0.00 C ATOM 210 CG2 ILE A 14 -4.856 -15.536 -8.696 1.00 0.00 C ATOM 211 CD1 ILE A 14 -4.749 -14.779 -5.546 1.00 0.00 C ATOM 0 H ILE A 14 -2.021 -15.926 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.426 -17.218 -6.652 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.769 -15.282 -8.317 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.876 -14.115 -6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.268 -13.516 -7.192 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.976 -14.557 -9.161 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.683 -16.285 -9.468 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.760 -15.788 -8.142 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.826 -13.941 -4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.741 -15.032 -5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.327 -15.640 -5.028 1.00 0.00 H new ATOM 223 N GLY A 15 -3.978 -18.454 -8.843 1.00 0.00 N ATOM 224 CA GLY A 15 -3.665 -19.410 -9.892 1.00 0.00 C ATOM 225 C GLY A 15 -3.014 -20.676 -9.369 1.00 0.00 C ATOM 226 O GLY A 15 -3.605 -21.754 -9.423 1.00 0.00 O ATOM 0 H GLY A 15 -4.974 -18.279 -8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.581 -19.672 -10.422 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.001 -18.940 -10.617 1.00 0.00 H new ATOM 230 N ASP A 16 -1.789 -20.546 -8.866 1.00 0.00 N ATOM 231 CA ASP A 16 -1.047 -21.686 -8.334 1.00 0.00 C ATOM 232 C ASP A 16 -0.516 -22.564 -9.463 1.00 0.00 C ATOM 233 O ASP A 16 -1.255 -23.353 -10.051 1.00 0.00 O ATOM 234 CB ASP A 16 -1.929 -22.513 -7.396 1.00 0.00 C ATOM 235 CG ASP A 16 -1.120 -23.387 -6.459 1.00 0.00 C ATOM 236 OD1 ASP A 16 -0.121 -22.892 -5.898 1.00 0.00 O ATOM 237 OD2 ASP A 16 -1.486 -24.569 -6.286 1.00 0.00 O ATOM 0 H ASP A 16 -1.288 -19.659 -8.816 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.199 -21.300 -7.768 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.559 -21.843 -6.810 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.595 -23.140 -7.988 1.00 0.00 H new ATOM 242 N GLY A 17 0.772 -22.415 -9.760 1.00 0.00 N ATOM 243 CA GLY A 17 1.389 -23.196 -10.817 1.00 0.00 C ATOM 244 C GLY A 17 2.895 -23.019 -10.855 1.00 0.00 C ATOM 245 O GLY A 17 3.606 -23.513 -9.980 1.00 0.00 O ATOM 0 H GLY A 17 1.400 -21.766 -9.286 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.152 -24.250 -10.673 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.966 -22.902 -11.778 1.00 0.00 H new ATOM 249 N MET A 18 3.382 -22.310 -11.869 1.00 0.00 N ATOM 250 CA MET A 18 4.812 -22.066 -12.014 1.00 0.00 C ATOM 251 C MET A 18 5.192 -20.722 -11.400 1.00 0.00 C ATOM 252 O MET A 18 6.049 -20.651 -10.518 1.00 0.00 O ATOM 253 CB MET A 18 5.209 -22.099 -13.490 1.00 0.00 C ATOM 254 CG MET A 18 4.748 -23.355 -14.214 1.00 0.00 C ATOM 255 SD MET A 18 3.616 -23.003 -15.574 1.00 0.00 S ATOM 256 CE MET A 18 4.660 -22.005 -16.633 1.00 0.00 C ATOM 0 H MET A 18 2.807 -21.895 -12.602 1.00 0.00 H new ATOM 0 HA MET A 18 5.350 -22.854 -11.486 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.790 -21.226 -13.990 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.293 -22.021 -13.568 1.00 0.00 H new ATOM 0 HG2 MET A 18 5.618 -23.886 -14.600 1.00 0.00 H new ATOM 0 HG3 MET A 18 4.258 -24.020 -13.503 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.308 -22.075 -17.662 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.622 -20.966 -16.307 1.00 0.00 H new ATOM 0 HE3 MET A 18 5.687 -22.366 -16.576 1.00 0.00 H new ATOM 266 N ASN A 19 4.543 -19.661 -11.868 1.00 0.00 N ATOM 267 CA ASN A 19 4.801 -18.317 -11.364 1.00 0.00 C ATOM 268 C ASN A 19 3.497 -17.655 -10.929 1.00 0.00 C ATOM 269 O ASN A 19 3.011 -16.726 -11.573 1.00 0.00 O ATOM 270 CB ASN A 19 5.500 -17.473 -12.436 1.00 0.00 C ATOM 271 CG ASN A 19 6.927 -17.124 -12.057 1.00 0.00 C ATOM 272 OD1 ASN A 19 7.880 -17.651 -12.632 1.00 0.00 O ATOM 273 ND2 ASN A 19 7.081 -16.230 -11.087 1.00 0.00 N ATOM 0 H ASN A 19 3.832 -19.706 -12.598 1.00 0.00 H new ATOM 0 HA ASN A 19 5.458 -18.389 -10.497 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.500 -18.018 -13.380 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.935 -16.555 -12.598 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.018 -15.955 -10.791 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.263 -15.819 -10.638 1.00 0.00 H new ATOM 280 N ALA A 20 2.929 -18.151 -9.833 1.00 0.00 N ATOM 281 CA ALA A 20 1.675 -17.623 -9.311 1.00 0.00 C ATOM 282 C ALA A 20 1.879 -16.279 -8.619 1.00 0.00 C ATOM 283 O ALA A 20 2.975 -15.964 -8.156 1.00 0.00 O ATOM 284 CB ALA A 20 1.046 -18.621 -8.350 1.00 0.00 C ATOM 0 H ALA A 20 3.320 -18.920 -9.289 1.00 0.00 H new ATOM 0 HA ALA A 20 1.002 -17.464 -10.154 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.110 -18.216 -7.966 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.849 -19.556 -8.874 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.728 -18.807 -7.520 1.00 0.00 H new ATOM 290 N TYR A 21 0.807 -15.493 -8.547 1.00 0.00 N ATOM 291 CA TYR A 21 0.855 -14.182 -7.905 1.00 0.00 C ATOM 292 C TYR A 21 -0.159 -14.108 -6.782 1.00 0.00 C ATOM 293 O TYR A 21 -1.039 -14.956 -6.681 1.00 0.00 O ATOM 294 CB TYR A 21 0.550 -13.073 -8.915 1.00 0.00 C ATOM 295 CG TYR A 21 -0.800 -13.211 -9.594 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.001 -13.026 -8.896 1.00 0.00 C ATOM 297 CD2 TYR A 21 -0.874 -13.524 -10.946 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.220 -13.153 -9.537 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.092 -13.651 -11.587 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.259 -13.465 -10.879 1.00 0.00 C ATOM 301 OH TYR A 21 -4.472 -13.592 -11.517 1.00 0.00 O ATOM 0 H TYR A 21 -0.107 -15.742 -8.926 1.00 0.00 H new ATOM 0 HA TYR A 21 1.860 -14.044 -7.506 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.592 -12.110 -8.406 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.329 -13.065 -9.677 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.974 -12.781 -7.844 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.037 -13.671 -11.506 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.139 -13.008 -8.988 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.129 -13.895 -12.638 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.324 -13.813 -12.460 1.00 0.00 H new ATOM 311 N VAL A 22 -0.057 -13.072 -5.960 1.00 0.00 N ATOM 312 CA VAL A 22 -1.007 -12.888 -4.878 1.00 0.00 C ATOM 313 C VAL A 22 -1.830 -11.637 -5.113 1.00 0.00 C ATOM 314 O VAL A 22 -1.333 -10.625 -5.608 1.00 0.00 O ATOM 315 CB VAL A 22 -0.349 -12.802 -3.489 1.00 0.00 C ATOM 316 CG1 VAL A 22 -1.383 -12.376 -2.445 1.00 0.00 C ATOM 317 CG2 VAL A 22 0.282 -14.137 -3.115 1.00 0.00 C ATOM 0 H VAL A 22 0.666 -12.355 -6.022 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.641 -13.775 -4.880 1.00 0.00 H new ATOM 0 HB VAL A 22 0.441 -12.052 -3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.908 -12.318 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.787 -11.399 -2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.191 -13.107 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.743 -14.059 -2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.486 -14.910 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.042 -14.399 -3.851 1.00 0.00 H new ATOM 327 N ALA A 23 -3.091 -11.730 -4.760 1.00 0.00 N ATOM 328 CA ALA A 23 -4.025 -10.641 -4.923 1.00 0.00 C ATOM 329 C ALA A 23 -3.999 -9.701 -3.719 1.00 0.00 C ATOM 330 O ALA A 23 -3.404 -10.016 -2.688 1.00 0.00 O ATOM 331 CB ALA A 23 -5.393 -11.240 -5.114 1.00 0.00 C ATOM 0 H ALA A 23 -3.500 -12.569 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.751 -10.040 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.125 -10.442 -5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.392 -11.875 -6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.654 -11.837 -4.240 1.00 0.00 H new ATOM 337 N TYR A 24 -4.645 -8.545 -3.856 1.00 0.00 N ATOM 338 CA TYR A 24 -4.688 -7.564 -2.774 1.00 0.00 C ATOM 339 C TYR A 24 -6.078 -6.956 -2.634 1.00 0.00 C ATOM 340 O TYR A 24 -6.511 -6.176 -3.481 1.00 0.00 O ATOM 341 CB TYR A 24 -3.664 -6.456 -3.017 1.00 0.00 C ATOM 342 CG TYR A 24 -2.285 -6.796 -2.516 1.00 0.00 C ATOM 343 CD1 TYR A 24 -1.528 -7.784 -3.128 1.00 0.00 C ATOM 344 CD2 TYR A 24 -1.745 -6.129 -1.427 1.00 0.00 C ATOM 345 CE1 TYR A 24 -0.264 -8.099 -2.668 1.00 0.00 C ATOM 346 CE2 TYR A 24 -0.482 -6.435 -0.960 1.00 0.00 C ATOM 347 CZ TYR A 24 0.255 -7.422 -1.583 1.00 0.00 C ATOM 348 OH TYR A 24 1.513 -7.732 -1.121 1.00 0.00 O ATOM 0 H TYR A 24 -5.143 -8.266 -4.701 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.444 -8.083 -1.847 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.613 -6.247 -4.085 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.005 -5.543 -2.529 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.933 -8.315 -3.977 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.321 -5.358 -0.936 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.315 -8.870 -3.154 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.073 -5.905 -0.112 1.00 0.00 H new ATOM 0 HH TYR A 24 1.729 -7.163 -0.353 1.00 0.00 H new ATOM 358 N LYS A 25 -6.771 -7.312 -1.557 1.00 0.00 N ATOM 359 CA LYS A 25 -8.109 -6.791 -1.312 1.00 0.00 C ATOM 360 C LYS A 25 -8.052 -5.506 -0.492 1.00 0.00 C ATOM 361 O LYS A 25 -8.116 -5.537 0.736 1.00 0.00 O ATOM 362 CB LYS A 25 -8.967 -7.829 -0.589 1.00 0.00 C ATOM 363 CG LYS A 25 -10.453 -7.516 -0.628 1.00 0.00 C ATOM 364 CD LYS A 25 -11.243 -8.441 0.280 1.00 0.00 C ATOM 365 CE LYS A 25 -12.623 -8.737 -0.287 1.00 0.00 C ATOM 366 NZ LYS A 25 -13.018 -10.157 -0.079 1.00 0.00 N ATOM 0 H LYS A 25 -6.429 -7.956 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.562 -6.568 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.797 -8.807 -1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.644 -7.896 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.616 -6.482 -0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.818 -7.610 -1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.696 -9.374 0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.344 -7.986 1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.357 -8.084 0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.633 -8.510 -1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.620 -10.469 -0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.166 -10.752 -0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.545 -10.244 0.814 1.00 0.00 H new ATOM 380 N VAL A 26 -7.945 -4.377 -1.184 1.00 0.00 N ATOM 381 CA VAL A 26 -7.894 -3.077 -0.530 1.00 0.00 C ATOM 382 C VAL A 26 -9.306 -2.542 -0.318 1.00 0.00 C ATOM 383 O VAL A 26 -9.856 -1.852 -1.177 1.00 0.00 O ATOM 384 CB VAL A 26 -7.078 -2.069 -1.362 1.00 0.00 C ATOM 385 CG1 VAL A 26 -6.946 -0.745 -0.628 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.706 -2.641 -1.698 1.00 0.00 C ATOM 0 H VAL A 26 -7.892 -4.337 -2.202 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.404 -3.205 0.435 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.610 -1.885 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.366 -0.049 -1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.937 -0.329 -0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.440 -0.906 0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.143 -1.916 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.166 -2.858 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.826 -3.559 -2.273 1.00 0.00 H new ATOM 396 N THR A 27 -9.894 -2.880 0.825 1.00 0.00 N ATOM 397 CA THR A 27 -11.249 -2.451 1.144 1.00 0.00 C ATOM 398 C THR A 27 -11.250 -1.068 1.781 1.00 0.00 C ATOM 399 O THR A 27 -11.283 -0.934 3.004 1.00 0.00 O ATOM 400 CB THR A 27 -11.918 -3.462 2.077 1.00 0.00 C ATOM 401 OG1 THR A 27 -11.680 -4.787 1.635 1.00 0.00 O ATOM 402 CG2 THR A 27 -13.415 -3.277 2.192 1.00 0.00 C ATOM 0 H THR A 27 -9.452 -3.450 1.546 1.00 0.00 H new ATOM 0 HA THR A 27 -11.815 -2.397 0.214 1.00 0.00 H new ATOM 0 HB THR A 27 -11.473 -3.286 3.056 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.114 -5.419 2.246 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.823 -4.027 2.869 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.630 -2.282 2.581 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.872 -3.388 1.209 1.00 0.00 H new ATOM 410 N THR A 28 -11.211 -0.044 0.937 1.00 0.00 N ATOM 411 CA THR A 28 -11.205 1.336 1.403 1.00 0.00 C ATOM 412 C THR A 28 -12.612 1.796 1.763 1.00 0.00 C ATOM 413 O THR A 28 -13.572 1.510 1.047 1.00 0.00 O ATOM 414 CB THR A 28 -10.620 2.252 0.326 1.00 0.00 C ATOM 415 OG1 THR A 28 -9.666 1.558 -0.459 1.00 0.00 O ATOM 416 CG2 THR A 28 -9.943 3.483 0.888 1.00 0.00 C ATOM 0 H THR A 28 -11.183 -0.145 -0.078 1.00 0.00 H new ATOM 0 HA THR A 28 -10.585 1.389 2.298 1.00 0.00 H new ATOM 0 HB THR A 28 -11.472 2.569 -0.276 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.305 2.160 -1.143 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.551 4.088 0.070 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.665 4.067 1.458 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.124 3.182 1.541 1.00 0.00 H new ATOM 424 N GLN A 29 -12.727 2.520 2.870 1.00 0.00 N ATOM 425 CA GLN A 29 -14.015 3.033 3.319 1.00 0.00 C ATOM 426 C GLN A 29 -13.873 4.448 3.841 1.00 0.00 C ATOM 427 O GLN A 29 -13.368 4.668 4.942 1.00 0.00 O ATOM 428 CB GLN A 29 -14.613 2.160 4.418 1.00 0.00 C ATOM 429 CG GLN A 29 -13.584 1.626 5.400 1.00 0.00 C ATOM 430 CD GLN A 29 -14.163 1.389 6.781 1.00 0.00 C ATOM 431 OE1 GLN A 29 -14.443 0.254 7.163 1.00 0.00 O ATOM 432 NE2 GLN A 29 -14.350 2.466 7.536 1.00 0.00 N ATOM 0 H GLN A 29 -11.942 2.765 3.474 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.682 3.022 2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.358 2.738 4.964 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.135 1.320 3.959 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.173 0.692 5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.757 2.332 5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.103 3.389 7.178 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.740 2.370 8.473 1.00 0.00 H new ATOM 441 N THR A 30 -14.333 5.402 3.055 1.00 0.00 N ATOM 442 CA THR A 30 -14.265 6.796 3.454 1.00 0.00 C ATOM 443 C THR A 30 -15.542 7.529 3.079 1.00 0.00 C ATOM 444 O THR A 30 -15.732 7.938 1.933 1.00 0.00 O ATOM 445 CB THR A 30 -13.069 7.475 2.800 1.00 0.00 C ATOM 446 OG1 THR A 30 -13.074 8.867 3.059 1.00 0.00 O ATOM 447 CG2 THR A 30 -13.042 7.282 1.306 1.00 0.00 C ATOM 0 H THR A 30 -14.756 5.240 2.141 1.00 0.00 H new ATOM 0 HA THR A 30 -14.149 6.833 4.537 1.00 0.00 H new ATOM 0 HB THR A 30 -12.186 7.006 3.234 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.153 9.202 3.067 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.170 7.786 0.890 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.990 6.218 1.078 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.947 7.703 0.868 1.00 0.00 H new ATOM 455 N SER A 31 -16.408 7.694 4.064 1.00 0.00 N ATOM 456 CA SER A 31 -17.676 8.385 3.867 1.00 0.00 C ATOM 457 C SER A 31 -17.607 9.802 4.431 1.00 0.00 C ATOM 458 O SER A 31 -18.527 10.260 5.108 1.00 0.00 O ATOM 459 CB SER A 31 -18.808 7.612 4.542 1.00 0.00 C ATOM 460 OG SER A 31 -18.808 6.252 4.143 1.00 0.00 O ATOM 0 H SER A 31 -16.257 7.357 5.015 1.00 0.00 H new ATOM 0 HA SER A 31 -17.873 8.444 2.797 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.701 7.676 5.625 1.00 0.00 H new ATOM 0 HB3 SER A 31 -19.765 8.068 4.289 1.00 0.00 H new ATOM 0 HG SER A 31 -19.541 5.780 4.591 1.00 0.00 H new ATOM 466 N LEU A 32 -16.503 10.483 4.153 1.00 0.00 N ATOM 467 CA LEU A 32 -16.295 11.845 4.635 1.00 0.00 C ATOM 468 C LEU A 32 -16.654 12.866 3.558 1.00 0.00 C ATOM 469 O LEU A 32 -16.811 12.514 2.389 1.00 0.00 O ATOM 470 CB LEU A 32 -14.836 12.020 5.062 1.00 0.00 C ATOM 471 CG LEU A 32 -14.497 11.556 6.485 1.00 0.00 C ATOM 472 CD1 LEU A 32 -14.654 12.700 7.472 1.00 0.00 C ATOM 473 CD2 LEU A 32 -15.362 10.370 6.900 1.00 0.00 C ATOM 0 H LEU A 32 -15.734 10.114 3.594 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.947 12.015 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.204 11.474 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.575 13.074 4.972 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.456 11.231 6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.409 12.351 8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.982 13.513 7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.683 13.058 7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.099 10.064 7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.413 10.658 6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.194 9.539 6.215 1.00 0.00 H new ATOM 485 N PRO A 33 -16.791 14.153 3.935 1.00 0.00 N ATOM 486 CA PRO A 33 -17.130 15.225 2.995 1.00 0.00 C ATOM 487 C PRO A 33 -16.304 15.156 1.714 1.00 0.00 C ATOM 488 O PRO A 33 -16.779 15.515 0.637 1.00 0.00 O ATOM 489 CB PRO A 33 -16.814 16.514 3.774 1.00 0.00 C ATOM 490 CG PRO A 33 -16.151 16.074 5.041 1.00 0.00 C ATOM 491 CD PRO A 33 -16.628 14.674 5.295 1.00 0.00 C ATOM 0 HA PRO A 33 -18.168 15.160 2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -16.160 17.169 3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -17.724 17.077 3.984 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -15.066 16.105 4.944 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -16.416 16.732 5.868 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -15.905 14.095 5.869 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -17.564 14.657 5.853 1.00 0.00 H new ATOM 499 N LEU A 34 -15.066 14.684 1.836 1.00 0.00 N ATOM 500 CA LEU A 34 -14.180 14.561 0.684 1.00 0.00 C ATOM 501 C LEU A 34 -14.442 13.251 -0.054 1.00 0.00 C ATOM 502 O LEU A 34 -14.245 13.156 -1.264 1.00 0.00 O ATOM 503 CB LEU A 34 -12.715 14.638 1.123 1.00 0.00 C ATOM 504 CG LEU A 34 -12.305 13.652 2.218 1.00 0.00 C ATOM 505 CD1 LEU A 34 -10.883 13.161 1.985 1.00 0.00 C ATOM 506 CD2 LEU A 34 -12.431 14.295 3.592 1.00 0.00 C ATOM 0 H LEU A 34 -14.655 14.381 2.719 1.00 0.00 H new ATOM 0 HA LEU A 34 -14.383 15.389 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.083 14.470 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.511 15.650 1.474 1.00 0.00 H new ATOM 0 HG LEU A 34 -12.977 12.794 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.606 12.460 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.824 12.662 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.199 14.009 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.135 13.578 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.784 15.170 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.465 14.598 3.759 1.00 0.00 H new ATOM 518 N PHE A 35 -14.902 12.250 0.692 1.00 0.00 N ATOM 519 CA PHE A 35 -15.216 10.940 0.129 1.00 0.00 C ATOM 520 C PHE A 35 -13.952 10.193 -0.315 1.00 0.00 C ATOM 521 O PHE A 35 -13.055 9.968 0.495 1.00 0.00 O ATOM 522 CB PHE A 35 -16.204 11.082 -1.034 1.00 0.00 C ATOM 523 CG PHE A 35 -17.459 11.830 -0.678 1.00 0.00 C ATOM 524 CD1 PHE A 35 -17.526 13.206 -0.824 1.00 0.00 C ATOM 525 CD2 PHE A 35 -18.571 11.155 -0.203 1.00 0.00 C ATOM 526 CE1 PHE A 35 -18.680 13.895 -0.502 1.00 0.00 C ATOM 527 CE2 PHE A 35 -19.728 11.838 0.121 1.00 0.00 C ATOM 528 CZ PHE A 35 -19.782 13.210 -0.029 1.00 0.00 C ATOM 0 H PHE A 35 -15.067 12.323 1.696 1.00 0.00 H new ATOM 0 HA PHE A 35 -15.683 10.345 0.914 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -15.709 11.595 -1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -16.474 10.089 -1.392 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -16.667 13.746 -1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -18.534 10.082 -0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -18.720 14.968 -0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -20.588 11.300 0.491 1.00 0.00 H new ATOM 0 HZ PHE A 35 -20.685 13.746 0.223 1.00 0.00 H new ATOM 538 N ARG A 36 -13.910 9.793 -1.599 1.00 0.00 N ATOM 539 CA ARG A 36 -12.790 9.042 -2.186 1.00 0.00 C ATOM 540 C ARG A 36 -13.191 7.581 -2.374 1.00 0.00 C ATOM 541 O ARG A 36 -12.660 6.888 -3.243 1.00 0.00 O ATOM 542 CB ARG A 36 -11.510 9.114 -1.341 1.00 0.00 C ATOM 543 CG ARG A 36 -10.977 10.523 -1.133 1.00 0.00 C ATOM 544 CD ARG A 36 -10.115 10.972 -2.302 1.00 0.00 C ATOM 545 NE ARG A 36 -8.887 11.627 -1.857 1.00 0.00 N ATOM 546 CZ ARG A 36 -8.845 12.857 -1.351 1.00 0.00 C ATOM 547 NH1 ARG A 36 -9.959 13.566 -1.217 1.00 0.00 N ATOM 548 NH2 ARG A 36 -7.685 13.380 -0.975 1.00 0.00 N ATOM 0 H ARG A 36 -14.660 9.985 -2.263 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.568 9.507 -3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.705 8.664 -0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.738 8.513 -1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.811 11.214 -1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.393 10.560 -0.214 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.863 10.109 -2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.684 11.657 -2.930 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.011 11.111 -1.939 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.854 13.169 -1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.920 14.508 -0.828 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.826 12.839 -1.074 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.652 14.323 -0.587 1.00 0.00 H new ATOM 562 N SER A 37 -14.139 7.122 -1.554 1.00 0.00 N ATOM 563 CA SER A 37 -14.629 5.746 -1.617 1.00 0.00 C ATOM 564 C SER A 37 -15.413 5.404 -0.353 1.00 0.00 C ATOM 565 O SER A 37 -14.873 4.801 0.574 1.00 0.00 O ATOM 566 CB SER A 37 -13.468 4.760 -1.789 1.00 0.00 C ATOM 567 OG SER A 37 -13.852 3.446 -1.422 1.00 0.00 O ATOM 0 H SER A 37 -14.585 7.690 -0.833 1.00 0.00 H new ATOM 0 HA SER A 37 -15.288 5.662 -2.481 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.132 4.767 -2.826 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.623 5.079 -1.178 1.00 0.00 H new ATOM 0 HG SER A 37 -14.117 3.434 -0.479 1.00 0.00 H new ATOM 573 N LYS A 38 -16.689 5.798 -0.322 1.00 0.00 N ATOM 574 CA LYS A 38 -17.554 5.541 0.832 1.00 0.00 C ATOM 575 C LYS A 38 -17.266 4.175 1.449 1.00 0.00 C ATOM 576 O LYS A 38 -17.166 4.041 2.668 1.00 0.00 O ATOM 577 CB LYS A 38 -19.027 5.629 0.424 1.00 0.00 C ATOM 578 CG LYS A 38 -19.421 4.645 -0.666 1.00 0.00 C ATOM 579 CD LYS A 38 -19.954 3.346 -0.079 1.00 0.00 C ATOM 580 CE LYS A 38 -21.280 2.952 -0.711 1.00 0.00 C ATOM 581 NZ LYS A 38 -22.128 2.161 0.222 1.00 0.00 N ATOM 0 H LYS A 38 -17.146 6.297 -1.085 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.343 6.304 1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -19.649 5.453 1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -19.240 6.641 0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.180 5.094 -1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.557 4.433 -1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.226 2.550 -0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -20.082 3.457 0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -21.817 3.850 -1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.093 2.370 -1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -23.022 1.913 -0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -21.627 1.291 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -22.328 2.725 1.072 1.00 0.00 H new ATOM 595 N GLN A 39 -17.114 3.171 0.592 1.00 0.00 N ATOM 596 CA GLN A 39 -16.817 1.814 1.038 1.00 0.00 C ATOM 597 C GLN A 39 -16.769 0.862 -0.149 1.00 0.00 C ATOM 598 O GLN A 39 -17.786 0.612 -0.796 1.00 0.00 O ATOM 599 CB GLN A 39 -17.868 1.337 2.047 1.00 0.00 C ATOM 600 CG GLN A 39 -17.661 -0.096 2.512 1.00 0.00 C ATOM 601 CD GLN A 39 -18.285 -0.364 3.868 1.00 0.00 C ATOM 602 OE1 GLN A 39 -17.965 0.299 4.855 1.00 0.00 O ATOM 603 NE2 GLN A 39 -19.182 -1.342 3.922 1.00 0.00 N ATOM 0 H GLN A 39 -17.192 3.272 -0.420 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.841 1.821 1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.852 1.997 2.914 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.857 1.425 1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.089 -0.778 1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -16.593 -0.308 2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -19.417 -1.866 3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -19.636 -1.569 4.807 1.00 0.00 H new ATOM 612 N PHE A 40 -15.585 0.327 -0.427 1.00 0.00 N ATOM 613 CA PHE A 40 -15.411 -0.606 -1.537 1.00 0.00 C ATOM 614 C PHE A 40 -14.318 -1.619 -1.251 1.00 0.00 C ATOM 615 O PHE A 40 -13.841 -1.748 -0.124 1.00 0.00 O ATOM 616 CB PHE A 40 -15.037 0.123 -2.822 1.00 0.00 C ATOM 617 CG PHE A 40 -16.035 -0.033 -3.931 1.00 0.00 C ATOM 618 CD1 PHE A 40 -17.316 0.481 -3.817 1.00 0.00 C ATOM 619 CD2 PHE A 40 -15.686 -0.700 -5.095 1.00 0.00 C ATOM 620 CE1 PHE A 40 -18.231 0.333 -4.842 1.00 0.00 C ATOM 621 CE2 PHE A 40 -16.597 -0.851 -6.123 1.00 0.00 C ATOM 622 CZ PHE A 40 -17.871 -0.334 -5.996 1.00 0.00 C ATOM 0 H PHE A 40 -14.733 0.522 0.099 1.00 0.00 H new ATOM 0 HA PHE A 40 -16.368 -1.114 -1.656 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.917 1.184 -2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.069 -0.243 -3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -17.603 1.004 -2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.691 -1.106 -5.200 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -19.227 0.739 -4.740 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -16.313 -1.373 -7.025 1.00 0.00 H new ATOM 0 HZ PHE A 40 -18.585 -0.451 -6.798 1.00 0.00 H new ATOM 632 N ALA A 41 -13.932 -2.329 -2.303 1.00 0.00 N ATOM 633 CA ALA A 41 -12.898 -3.331 -2.220 1.00 0.00 C ATOM 634 C ALA A 41 -12.215 -3.514 -3.569 1.00 0.00 C ATOM 635 O ALA A 41 -12.867 -3.827 -4.565 1.00 0.00 O ATOM 636 CB ALA A 41 -13.525 -4.609 -1.744 1.00 0.00 C ATOM 0 H ALA A 41 -14.332 -2.220 -3.235 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.126 -3.020 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.762 -5.384 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.974 -4.451 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.295 -4.921 -2.450 1.00 0.00 H new ATOM 642 N VAL A 42 -10.905 -3.312 -3.605 1.00 0.00 N ATOM 643 CA VAL A 42 -10.151 -3.450 -4.844 1.00 0.00 C ATOM 644 C VAL A 42 -9.257 -4.683 -4.818 1.00 0.00 C ATOM 645 O VAL A 42 -8.666 -5.012 -3.791 1.00 0.00 O ATOM 646 CB VAL A 42 -9.291 -2.202 -5.113 1.00 0.00 C ATOM 647 CG1 VAL A 42 -8.417 -2.401 -6.346 1.00 0.00 C ATOM 648 CG2 VAL A 42 -10.176 -0.971 -5.262 1.00 0.00 C ATOM 0 H VAL A 42 -10.344 -3.053 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.879 -3.561 -5.647 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.631 -2.047 -4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.818 -1.506 -6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.757 -3.255 -6.190 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.049 -2.585 -7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.554 -0.096 -5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.863 -1.116 -6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.745 -0.819 -4.345 1.00 0.00 H new ATOM 658 N LYS A 43 -9.161 -5.357 -5.960 1.00 0.00 N ATOM 659 CA LYS A 43 -8.334 -6.552 -6.075 1.00 0.00 C ATOM 660 C LYS A 43 -7.280 -6.378 -7.163 1.00 0.00 C ATOM 661 O LYS A 43 -7.607 -6.171 -8.332 1.00 0.00 O ATOM 662 CB LYS A 43 -9.209 -7.769 -6.385 1.00 0.00 C ATOM 663 CG LYS A 43 -10.484 -7.826 -5.560 1.00 0.00 C ATOM 664 CD LYS A 43 -10.935 -9.260 -5.329 1.00 0.00 C ATOM 665 CE LYS A 43 -10.898 -9.625 -3.854 1.00 0.00 C ATOM 666 NZ LYS A 43 -11.866 -10.708 -3.525 1.00 0.00 N ATOM 0 H LYS A 43 -9.646 -5.095 -6.818 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.825 -6.710 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.471 -7.758 -7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.631 -8.676 -6.209 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.320 -7.336 -4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.273 -7.273 -6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.947 -9.390 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.292 -9.939 -5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.891 -9.944 -3.584 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.124 -8.742 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.810 -10.927 -2.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.830 -10.395 -3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.635 -11.559 -4.076 1.00 0.00 H new ATOM 680 N ARG A 44 -6.014 -6.464 -6.771 1.00 0.00 N ATOM 681 CA ARG A 44 -4.910 -6.317 -7.714 1.00 0.00 C ATOM 682 C ARG A 44 -3.681 -7.079 -7.229 1.00 0.00 C ATOM 683 O ARG A 44 -3.505 -7.296 -6.031 1.00 0.00 O ATOM 684 CB ARG A 44 -4.560 -4.835 -7.921 1.00 0.00 C ATOM 685 CG ARG A 44 -5.144 -3.901 -6.869 1.00 0.00 C ATOM 686 CD ARG A 44 -4.193 -2.760 -6.542 1.00 0.00 C ATOM 687 NE ARG A 44 -3.924 -2.671 -5.110 1.00 0.00 N ATOM 688 CZ ARG A 44 -3.129 -3.510 -4.452 1.00 0.00 C ATOM 689 NH1 ARG A 44 -2.512 -4.493 -5.095 1.00 0.00 N ATOM 690 NH2 ARG A 44 -2.944 -3.361 -3.149 1.00 0.00 N ATOM 0 H ARG A 44 -5.726 -6.635 -5.807 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.229 -6.736 -8.668 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.475 -4.727 -7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.914 -4.524 -8.904 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.090 -3.495 -7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.362 -4.465 -5.962 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.256 -2.903 -7.080 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.620 -1.820 -6.891 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.372 -1.921 -4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.646 -4.608 -6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.904 -5.133 -4.585 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.411 -2.603 -2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.334 -4.004 -2.644 1.00 0.00 H new ATOM 704 N ARG A 45 -2.833 -7.484 -8.169 1.00 0.00 N ATOM 705 CA ARG A 45 -1.620 -8.223 -7.837 1.00 0.00 C ATOM 706 C ARG A 45 -0.604 -7.315 -7.154 1.00 0.00 C ATOM 707 O ARG A 45 -0.707 -6.090 -7.223 1.00 0.00 O ATOM 708 CB ARG A 45 -1.008 -8.835 -9.099 1.00 0.00 C ATOM 709 CG ARG A 45 -0.845 -7.842 -10.240 1.00 0.00 C ATOM 710 CD ARG A 45 0.052 -8.392 -11.338 1.00 0.00 C ATOM 711 NE ARG A 45 0.199 -7.452 -12.446 1.00 0.00 N ATOM 712 CZ ARG A 45 -0.712 -7.283 -13.400 1.00 0.00 C ATOM 713 NH1 ARG A 45 -1.835 -7.991 -13.389 1.00 0.00 N ATOM 714 NH2 ARG A 45 -0.499 -6.405 -14.370 1.00 0.00 N ATOM 0 H ARG A 45 -2.963 -7.313 -9.166 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.888 -9.024 -7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.033 -9.256 -8.853 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.636 -9.660 -9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.823 -7.601 -10.656 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.424 -6.913 -9.857 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.034 -8.620 -10.924 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.363 -9.329 -11.710 1.00 0.00 H new ATOM 0 HE ARG A 45 1.050 -6.892 -12.491 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.003 -8.669 -12.646 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.530 -7.857 -14.124 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.363 -5.860 -14.384 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.197 -6.275 -15.102 1.00 0.00 H new ATOM 728 N PHE A 46 0.379 -7.921 -6.495 1.00 0.00 N ATOM 729 CA PHE A 46 1.414 -7.160 -5.801 1.00 0.00 C ATOM 730 C PHE A 46 2.127 -6.213 -6.761 1.00 0.00 C ATOM 731 O PHE A 46 2.620 -5.159 -6.357 1.00 0.00 O ATOM 732 CB PHE A 46 2.426 -8.104 -5.150 1.00 0.00 C ATOM 733 CG PHE A 46 2.891 -9.210 -6.056 1.00 0.00 C ATOM 734 CD1 PHE A 46 3.701 -8.937 -7.147 1.00 0.00 C ATOM 735 CD2 PHE A 46 2.517 -10.522 -5.815 1.00 0.00 C ATOM 736 CE1 PHE A 46 4.130 -9.952 -7.981 1.00 0.00 C ATOM 737 CE2 PHE A 46 2.943 -11.542 -6.646 1.00 0.00 C ATOM 738 CZ PHE A 46 3.750 -11.257 -7.730 1.00 0.00 C ATOM 0 H PHE A 46 0.481 -8.934 -6.427 1.00 0.00 H new ATOM 0 HA PHE A 46 0.933 -6.567 -5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.291 -7.526 -4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.979 -8.541 -4.257 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.000 -7.919 -7.348 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.886 -10.751 -4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.761 -9.726 -8.828 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.645 -12.561 -6.447 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.083 -12.052 -8.380 1.00 0.00 H new ATOM 748 N SER A 47 2.174 -6.594 -8.034 1.00 0.00 N ATOM 749 CA SER A 47 2.822 -5.780 -9.054 1.00 0.00 C ATOM 750 C SER A 47 2.101 -4.447 -9.224 1.00 0.00 C ATOM 751 O SER A 47 2.720 -3.429 -9.535 1.00 0.00 O ATOM 752 CB SER A 47 2.852 -6.526 -10.389 1.00 0.00 C ATOM 753 OG SER A 47 3.420 -5.725 -11.410 1.00 0.00 O ATOM 0 H SER A 47 1.770 -7.463 -8.383 1.00 0.00 H new ATOM 0 HA SER A 47 3.844 -5.584 -8.730 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.427 -7.446 -10.282 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.839 -6.815 -10.670 1.00 0.00 H new ATOM 0 HG SER A 47 3.429 -6.226 -12.252 1.00 0.00 H new ATOM 759 N ASP A 48 0.788 -4.461 -9.021 1.00 0.00 N ATOM 760 CA ASP A 48 -0.019 -3.255 -9.153 1.00 0.00 C ATOM 761 C ASP A 48 0.323 -2.247 -8.060 1.00 0.00 C ATOM 762 O ASP A 48 0.597 -1.081 -8.342 1.00 0.00 O ATOM 763 CB ASP A 48 -1.506 -3.605 -9.096 1.00 0.00 C ATOM 764 CG ASP A 48 -2.105 -3.809 -10.473 1.00 0.00 C ATOM 765 OD1 ASP A 48 -2.109 -2.845 -11.268 1.00 0.00 O ATOM 766 OD2 ASP A 48 -2.571 -4.933 -10.758 1.00 0.00 O ATOM 0 H ASP A 48 0.260 -5.295 -8.764 1.00 0.00 H new ATOM 0 HA ASP A 48 0.204 -2.802 -10.119 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.641 -4.512 -8.506 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.045 -2.808 -8.583 1.00 0.00 H new ATOM 771 N PHE A 49 0.312 -2.706 -6.814 1.00 0.00 N ATOM 772 CA PHE A 49 0.628 -1.841 -5.683 1.00 0.00 C ATOM 773 C PHE A 49 2.120 -1.539 -5.630 1.00 0.00 C ATOM 774 O PHE A 49 2.534 -0.495 -5.124 1.00 0.00 O ATOM 775 CB PHE A 49 0.180 -2.478 -4.369 1.00 0.00 C ATOM 776 CG PHE A 49 -0.012 -1.475 -3.267 1.00 0.00 C ATOM 777 CD1 PHE A 49 1.059 -1.078 -2.483 1.00 0.00 C ATOM 778 CD2 PHE A 49 -1.260 -0.928 -3.019 1.00 0.00 C ATOM 779 CE1 PHE A 49 0.889 -0.153 -1.472 1.00 0.00 C ATOM 780 CE2 PHE A 49 -1.436 0.000 -2.009 1.00 0.00 C ATOM 781 CZ PHE A 49 -0.360 0.387 -1.234 1.00 0.00 C ATOM 0 H PHE A 49 0.089 -3.669 -6.561 1.00 0.00 H new ATOM 0 HA PHE A 49 0.087 -0.905 -5.821 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.755 -3.015 -4.532 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.920 -3.215 -4.058 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.038 -1.497 -2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.105 -1.229 -3.621 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.732 0.148 -0.868 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.413 0.422 -1.826 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.495 1.110 -0.443 1.00 0.00 H new ATOM 791 N LEU A 50 2.925 -2.455 -6.159 1.00 0.00 N ATOM 792 CA LEU A 50 4.373 -2.281 -6.171 1.00 0.00 C ATOM 793 C LEU A 50 4.740 -0.964 -6.844 1.00 0.00 C ATOM 794 O LEU A 50 5.712 -0.311 -6.464 1.00 0.00 O ATOM 795 CB LEU A 50 5.042 -3.451 -6.901 1.00 0.00 C ATOM 796 CG LEU A 50 6.548 -3.300 -7.133 1.00 0.00 C ATOM 797 CD1 LEU A 50 7.243 -4.648 -7.027 1.00 0.00 C ATOM 798 CD2 LEU A 50 6.816 -2.667 -8.490 1.00 0.00 C ATOM 0 H LEU A 50 2.600 -3.323 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 50 4.730 -2.260 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.868 -4.362 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.553 -3.583 -7.866 1.00 0.00 H new ATOM 0 HG LEU A 50 6.951 -2.645 -6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.312 -4.520 -7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.079 -5.065 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.837 -5.327 -7.777 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.891 -2.567 -8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.398 -3.298 -9.275 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.351 -1.682 -8.530 1.00 0.00 H new ATOM 810 N GLY A 51 3.949 -0.576 -7.839 1.00 0.00 N ATOM 811 CA GLY A 51 4.196 0.666 -8.548 1.00 0.00 C ATOM 812 C GLY A 51 4.320 1.853 -7.611 1.00 0.00 C ATOM 813 O GLY A 51 5.013 2.820 -7.917 1.00 0.00 O ATOM 0 H GLY A 51 3.139 -1.101 -8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.111 0.571 -9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.384 0.846 -9.253 1.00 0.00 H new ATOM 817 N LEU A 52 3.656 1.774 -6.462 1.00 0.00 N ATOM 818 CA LEU A 52 3.707 2.843 -5.473 1.00 0.00 C ATOM 819 C LEU A 52 4.940 2.695 -4.615 1.00 0.00 C ATOM 820 O LEU A 52 5.782 3.588 -4.538 1.00 0.00 O ATOM 821 CB LEU A 52 2.469 2.801 -4.577 1.00 0.00 C ATOM 822 CG LEU A 52 1.142 3.104 -5.268 1.00 0.00 C ATOM 823 CD1 LEU A 52 0.241 3.901 -4.338 1.00 0.00 C ATOM 824 CD2 LEU A 52 1.378 3.852 -6.572 1.00 0.00 C ATOM 0 H LEU A 52 3.076 0.979 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 52 3.738 3.796 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.404 1.812 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.606 3.515 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 52 0.645 2.164 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.703 4.113 -4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.050 3.324 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.729 4.839 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.421 4.059 -7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.891 4.791 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.991 3.242 -7.236 1.00 0.00 H new ATOM 836 N TYR A 53 5.026 1.549 -3.966 1.00 0.00 N ATOM 837 CA TYR A 53 6.148 1.250 -3.094 1.00 0.00 C ATOM 838 C TYR A 53 7.470 1.438 -3.839 1.00 0.00 C ATOM 839 O TYR A 53 8.444 1.939 -3.276 1.00 0.00 O ATOM 840 CB TYR A 53 6.018 -0.179 -2.534 1.00 0.00 C ATOM 841 CG TYR A 53 7.220 -1.068 -2.780 1.00 0.00 C ATOM 842 CD1 TYR A 53 7.392 -1.712 -3.998 1.00 0.00 C ATOM 843 CD2 TYR A 53 8.179 -1.260 -1.794 1.00 0.00 C ATOM 844 CE1 TYR A 53 8.488 -2.523 -4.228 1.00 0.00 C ATOM 845 CE2 TYR A 53 9.278 -2.069 -2.016 1.00 0.00 C ATOM 846 CZ TYR A 53 9.427 -2.698 -3.234 1.00 0.00 C ATOM 847 OH TYR A 53 10.521 -3.503 -3.460 1.00 0.00 O ATOM 0 H TYR A 53 4.329 0.806 -4.026 1.00 0.00 H new ATOM 0 HA TYR A 53 6.139 1.945 -2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 53 5.842 -0.119 -1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.139 -0.649 -2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 53 6.658 -1.577 -4.778 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.064 -0.770 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.608 -3.017 -5.181 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.016 -2.208 -1.240 1.00 0.00 H new ATOM 0 HH TYR A 53 11.086 -3.519 -2.660 1.00 0.00 H new ATOM 857 N GLU A 54 7.494 1.043 -5.109 1.00 0.00 N ATOM 858 CA GLU A 54 8.692 1.178 -5.931 1.00 0.00 C ATOM 859 C GLU A 54 8.890 2.624 -6.388 1.00 0.00 C ATOM 860 O GLU A 54 10.007 3.141 -6.376 1.00 0.00 O ATOM 861 CB GLU A 54 8.617 0.246 -7.145 1.00 0.00 C ATOM 862 CG GLU A 54 7.622 0.691 -8.207 1.00 0.00 C ATOM 863 CD GLU A 54 8.204 1.714 -9.163 1.00 0.00 C ATOM 864 OE1 GLU A 54 9.411 2.012 -9.054 1.00 0.00 O ATOM 865 OE2 GLU A 54 7.450 2.218 -10.024 1.00 0.00 O ATOM 0 H GLU A 54 6.697 0.627 -5.591 1.00 0.00 H new ATOM 0 HA GLU A 54 9.549 0.895 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.607 0.174 -7.596 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.348 -0.754 -6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.287 -0.179 -8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.743 1.113 -7.721 1.00 0.00 H new ATOM 872 N LYS A 55 7.800 3.267 -6.804 1.00 0.00 N ATOM 873 CA LYS A 55 7.859 4.648 -7.280 1.00 0.00 C ATOM 874 C LYS A 55 8.167 5.617 -6.143 1.00 0.00 C ATOM 875 O LYS A 55 9.054 6.463 -6.259 1.00 0.00 O ATOM 876 CB LYS A 55 6.539 5.035 -7.950 1.00 0.00 C ATOM 877 CG LYS A 55 6.550 6.428 -8.558 1.00 0.00 C ATOM 878 CD LYS A 55 5.536 6.557 -9.684 1.00 0.00 C ATOM 879 CE LYS A 55 5.806 5.562 -10.801 1.00 0.00 C ATOM 880 NZ LYS A 55 5.517 6.138 -12.144 1.00 0.00 N ATOM 0 H LYS A 55 6.867 2.855 -6.821 1.00 0.00 H new ATOM 0 HA LYS A 55 8.667 4.713 -8.009 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.311 4.309 -8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.737 4.975 -7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.331 7.164 -7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.547 6.652 -8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.532 6.398 -9.290 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.564 7.570 -10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.848 5.244 -10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.195 4.672 -10.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.516 5.379 -12.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.585 6.600 -12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.247 6.838 -12.386 1.00 0.00 H new ATOM 894 N LEU A 56 7.432 5.489 -5.044 1.00 0.00 N ATOM 895 CA LEU A 56 7.628 6.357 -3.890 1.00 0.00 C ATOM 896 C LEU A 56 9.042 6.207 -3.336 1.00 0.00 C ATOM 897 O LEU A 56 9.624 7.164 -2.827 1.00 0.00 O ATOM 898 CB LEU A 56 6.596 6.040 -2.806 1.00 0.00 C ATOM 899 CG LEU A 56 5.157 6.430 -3.153 1.00 0.00 C ATOM 900 CD1 LEU A 56 4.197 5.945 -2.077 1.00 0.00 C ATOM 901 CD2 LEU A 56 5.042 7.935 -3.331 1.00 0.00 C ATOM 0 H LEU A 56 6.696 4.793 -4.928 1.00 0.00 H new ATOM 0 HA LEU A 56 7.493 7.390 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.627 4.971 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.885 6.553 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 56 4.888 5.950 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.179 6.232 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.259 4.860 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.464 6.396 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.012 8.195 -3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.331 8.434 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.700 8.257 -4.138 1.00 0.00 H new ATOM 913 N SER A 57 9.589 5.002 -3.448 1.00 0.00 N ATOM 914 CA SER A 57 10.939 4.723 -2.967 1.00 0.00 C ATOM 915 C SER A 57 11.982 5.293 -3.925 1.00 0.00 C ATOM 916 O SER A 57 13.072 5.688 -3.511 1.00 0.00 O ATOM 917 CB SER A 57 11.147 3.216 -2.808 1.00 0.00 C ATOM 918 OG SER A 57 12.524 2.899 -2.705 1.00 0.00 O ATOM 0 H SER A 57 9.118 4.201 -3.868 1.00 0.00 H new ATOM 0 HA SER A 57 11.059 5.202 -1.995 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.622 2.865 -1.919 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.713 2.694 -3.661 1.00 0.00 H new ATOM 0 HG SER A 57 12.630 1.930 -2.603 1.00 0.00 H new ATOM 924 N GLU A 58 11.638 5.323 -5.209 1.00 0.00 N ATOM 925 CA GLU A 58 12.536 5.834 -6.240 1.00 0.00 C ATOM 926 C GLU A 58 13.049 7.231 -5.898 1.00 0.00 C ATOM 927 O GLU A 58 14.116 7.638 -6.357 1.00 0.00 O ATOM 928 CB GLU A 58 11.824 5.861 -7.595 1.00 0.00 C ATOM 929 CG GLU A 58 12.697 6.369 -8.731 1.00 0.00 C ATOM 930 CD GLU A 58 14.000 5.603 -8.851 1.00 0.00 C ATOM 931 OE1 GLU A 58 13.954 4.400 -9.188 1.00 0.00 O ATOM 932 OE2 GLU A 58 15.067 6.205 -8.609 1.00 0.00 O ATOM 0 H GLU A 58 10.738 4.997 -5.562 1.00 0.00 H new ATOM 0 HA GLU A 58 13.393 5.163 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.479 4.855 -7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.938 6.492 -7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.147 6.293 -9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.914 7.426 -8.573 1.00 0.00 H new ATOM 939 N LYS A 59 12.284 7.967 -5.096 1.00 0.00 N ATOM 940 CA LYS A 59 12.668 9.322 -4.707 1.00 0.00 C ATOM 941 C LYS A 59 14.075 9.348 -4.105 1.00 0.00 C ATOM 942 O LYS A 59 14.746 10.379 -4.122 1.00 0.00 O ATOM 943 CB LYS A 59 11.638 9.903 -3.722 1.00 0.00 C ATOM 944 CG LYS A 59 12.052 9.843 -2.256 1.00 0.00 C ATOM 945 CD LYS A 59 12.200 8.410 -1.770 1.00 0.00 C ATOM 946 CE LYS A 59 11.520 8.203 -0.426 1.00 0.00 C ATOM 947 NZ LYS A 59 10.036 8.292 -0.532 1.00 0.00 N ATOM 0 H LYS A 59 11.397 7.650 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 59 12.683 9.944 -5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.447 10.942 -3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.698 9.365 -3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.996 10.371 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.309 10.359 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.770 7.729 -2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.258 8.161 -1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.797 7.228 -0.026 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.879 8.951 0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.600 7.576 0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.723 9.239 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.748 8.124 -1.517 1.00 0.00 H new ATOM 961 N HIS A 60 14.515 8.208 -3.576 1.00 0.00 N ATOM 962 CA HIS A 60 15.841 8.102 -2.974 1.00 0.00 C ATOM 963 C HIS A 60 16.047 9.171 -1.902 1.00 0.00 C ATOM 964 O HIS A 60 16.407 10.307 -2.207 1.00 0.00 O ATOM 965 CB HIS A 60 16.923 8.229 -4.048 1.00 0.00 C ATOM 966 CG HIS A 60 17.383 6.913 -4.593 1.00 0.00 C ATOM 967 ND1 HIS A 60 16.626 6.147 -5.454 1.00 0.00 N ATOM 968 CD2 HIS A 60 18.535 6.225 -4.397 1.00 0.00 C ATOM 969 CE1 HIS A 60 17.290 5.047 -5.763 1.00 0.00 C ATOM 970 NE2 HIS A 60 18.451 5.071 -5.136 1.00 0.00 N ATOM 0 H HIS A 60 13.972 7.345 -3.552 1.00 0.00 H new ATOM 0 HA HIS A 60 15.917 7.123 -2.501 1.00 0.00 H new ATOM 0 HB2 HIS A 60 16.541 8.838 -4.867 1.00 0.00 H new ATOM 0 HB3 HIS A 60 17.779 8.759 -3.629 1.00 0.00 H new ATOM 0 HD1 HIS A 60 15.698 6.391 -5.799 1.00 0.00 H new ATOM 0 HD2 HIS A 60 19.364 6.528 -3.775 1.00 0.00 H new ATOM 0 HE1 HIS A 60 16.942 4.262 -6.418 1.00 0.00 H new ATOM 979 N SER A 61 15.818 8.796 -0.647 1.00 0.00 N ATOM 980 CA SER A 61 15.980 9.720 0.469 1.00 0.00 C ATOM 981 C SER A 61 16.032 8.969 1.796 1.00 0.00 C ATOM 982 O SER A 61 15.657 7.800 1.873 1.00 0.00 O ATOM 983 CB SER A 61 14.835 10.735 0.491 1.00 0.00 C ATOM 984 OG SER A 61 14.651 11.327 -0.784 1.00 0.00 O ATOM 0 H SER A 61 15.520 7.858 -0.378 1.00 0.00 H new ATOM 0 HA SER A 61 16.923 10.249 0.333 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.914 10.242 0.802 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.046 11.510 1.228 1.00 0.00 H new ATOM 0 HG SER A 61 15.519 11.421 -1.229 1.00 0.00 H new ATOM 990 N GLN A 62 16.497 9.651 2.838 1.00 0.00 N ATOM 991 CA GLN A 62 16.597 9.048 4.162 1.00 0.00 C ATOM 992 C GLN A 62 15.273 9.166 4.912 1.00 0.00 C ATOM 993 O GLN A 62 14.723 8.171 5.383 1.00 0.00 O ATOM 994 CB GLN A 62 17.716 9.713 4.966 1.00 0.00 C ATOM 995 CG GLN A 62 19.017 8.927 4.962 1.00 0.00 C ATOM 996 CD GLN A 62 19.682 8.893 6.325 1.00 0.00 C ATOM 997 OE1 GLN A 62 19.293 9.623 7.236 1.00 0.00 O ATOM 998 NE2 GLN A 62 20.692 8.043 6.469 1.00 0.00 N ATOM 0 H GLN A 62 16.810 10.621 2.791 1.00 0.00 H new ATOM 0 HA GLN A 62 16.831 7.991 4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.901 10.708 4.561 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.384 9.844 5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.820 7.907 4.632 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.702 9.369 4.238 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.981 7.457 5.686 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.179 7.976 7.363 1.00 0.00 H new ATOM 1007 N ASN A 63 14.767 10.391 5.017 1.00 0.00 N ATOM 1008 CA ASN A 63 13.508 10.640 5.709 1.00 0.00 C ATOM 1009 C ASN A 63 12.361 9.900 5.030 1.00 0.00 C ATOM 1010 O ASN A 63 12.409 9.624 3.832 1.00 0.00 O ATOM 1011 CB ASN A 63 13.210 12.141 5.751 1.00 0.00 C ATOM 1012 CG ASN A 63 13.328 12.793 4.388 1.00 0.00 C ATOM 1013 OD1 ASN A 63 12.938 12.215 3.374 1.00 0.00 O ATOM 1014 ND2 ASN A 63 13.869 14.005 4.357 1.00 0.00 N ATOM 0 H ASN A 63 15.209 11.226 4.632 1.00 0.00 H new ATOM 0 HA ASN A 63 13.604 10.269 6.730 1.00 0.00 H new ATOM 0 HB2 ASN A 63 12.204 12.298 6.140 1.00 0.00 H new ATOM 0 HB3 ASN A 63 13.898 12.626 6.443 1.00 0.00 H new ATOM 0 HD21 ASN A 63 13.975 14.494 3.468 1.00 0.00 H new ATOM 0 HD22 ASN A 63 14.179 14.447 5.222 1.00 0.00 H new ATOM 1021 N GLY A 64 11.328 9.581 5.805 1.00 0.00 N ATOM 1022 CA GLY A 64 10.182 8.874 5.262 1.00 0.00 C ATOM 1023 C GLY A 64 9.594 9.562 4.044 1.00 0.00 C ATOM 1024 O GLY A 64 9.016 8.910 3.175 1.00 0.00 O ATOM 0 H GLY A 64 11.264 9.800 6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.479 7.860 4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.415 8.788 6.032 1.00 0.00 H new ATOM 1028 N PHE A 65 9.742 10.882 3.982 1.00 0.00 N ATOM 1029 CA PHE A 65 9.219 11.658 2.862 1.00 0.00 C ATOM 1030 C PHE A 65 9.475 13.149 3.068 1.00 0.00 C ATOM 1031 O PHE A 65 10.255 13.542 3.937 1.00 0.00 O ATOM 1032 CB PHE A 65 7.718 11.403 2.693 1.00 0.00 C ATOM 1033 CG PHE A 65 7.311 11.052 1.287 1.00 0.00 C ATOM 1034 CD1 PHE A 65 8.009 11.553 0.198 1.00 0.00 C ATOM 1035 CD2 PHE A 65 6.226 10.221 1.056 1.00 0.00 C ATOM 1036 CE1 PHE A 65 7.632 11.232 -1.093 1.00 0.00 C ATOM 1037 CE2 PHE A 65 5.845 9.897 -0.231 1.00 0.00 C ATOM 1038 CZ PHE A 65 6.549 10.403 -1.307 1.00 0.00 C ATOM 0 H PHE A 65 10.219 11.436 4.693 1.00 0.00 H new ATOM 0 HA PHE A 65 9.737 11.340 1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 65 7.420 10.593 3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.171 12.292 3.007 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.857 12.202 0.360 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.672 9.822 1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.184 11.629 -1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.997 9.249 -0.397 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.252 10.150 -2.314 1.00 0.00 H new ATOM 1048 N ILE A 66 8.810 13.974 2.266 1.00 0.00 N ATOM 1049 CA ILE A 66 8.961 15.421 2.360 1.00 0.00 C ATOM 1050 C ILE A 66 7.693 16.067 2.909 1.00 0.00 C ATOM 1051 O ILE A 66 7.347 17.190 2.546 1.00 0.00 O ATOM 1052 CB ILE A 66 9.293 16.044 0.989 1.00 0.00 C ATOM 1053 CG1 ILE A 66 8.158 15.786 -0.008 1.00 0.00 C ATOM 1054 CG2 ILE A 66 10.607 15.488 0.460 1.00 0.00 C ATOM 1055 CD1 ILE A 66 7.287 16.998 -0.258 1.00 0.00 C ATOM 0 H ILE A 66 8.161 13.664 1.543 1.00 0.00 H new ATOM 0 HA ILE A 66 9.789 15.611 3.043 1.00 0.00 H new ATOM 0 HB ILE A 66 9.399 17.122 1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.585 15.454 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.536 14.972 0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.828 15.937 -0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.409 15.722 1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.526 14.407 0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.505 16.743 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.831 17.318 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.896 17.807 -0.660 1.00 0.00 H new ATOM 1067 N VAL A 67 7.005 15.344 3.788 1.00 0.00 N ATOM 1068 CA VAL A 67 5.773 15.840 4.390 1.00 0.00 C ATOM 1069 C VAL A 67 5.855 15.805 5.915 1.00 0.00 C ATOM 1070 O VAL A 67 6.664 15.071 6.483 1.00 0.00 O ATOM 1071 CB VAL A 67 4.550 15.021 3.931 1.00 0.00 C ATOM 1072 CG1 VAL A 67 3.997 15.574 2.626 1.00 0.00 C ATOM 1073 CG2 VAL A 67 4.907 13.549 3.784 1.00 0.00 C ATOM 0 H VAL A 67 7.280 14.412 4.099 1.00 0.00 H new ATOM 0 HA VAL A 67 5.652 16.871 4.058 1.00 0.00 H new ATOM 0 HB VAL A 67 3.777 15.105 4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.134 14.984 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.694 16.611 2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.766 15.524 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.028 12.992 3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.700 13.439 3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.249 13.160 4.743 1.00 0.00 H new ATOM 1083 N PRO A 68 5.017 16.603 6.601 1.00 0.00 N ATOM 1084 CA PRO A 68 5.004 16.661 8.065 1.00 0.00 C ATOM 1085 C PRO A 68 4.798 15.283 8.701 1.00 0.00 C ATOM 1086 O PRO A 68 4.768 14.269 8.003 1.00 0.00 O ATOM 1087 CB PRO A 68 3.835 17.604 8.391 1.00 0.00 C ATOM 1088 CG PRO A 68 3.052 17.730 7.128 1.00 0.00 C ATOM 1089 CD PRO A 68 4.025 17.510 6.006 1.00 0.00 C ATOM 0 HA PRO A 68 5.956 17.011 8.464 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.219 17.200 9.195 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.198 18.576 8.725 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.247 16.996 7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.589 18.714 7.054 1.00 0.00 H new ATOM 0 HD2 PRO A 68 3.543 17.066 5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.479 18.445 5.677 1.00 0.00 H new ATOM 1097 N PRO A 69 4.686 15.227 10.041 1.00 0.00 N ATOM 1098 CA PRO A 69 4.517 13.962 10.777 1.00 0.00 C ATOM 1099 C PRO A 69 3.246 13.183 10.415 1.00 0.00 C ATOM 1100 O PRO A 69 3.302 11.968 10.220 1.00 0.00 O ATOM 1101 CB PRO A 69 4.473 14.398 12.247 1.00 0.00 C ATOM 1102 CG PRO A 69 5.091 15.754 12.270 1.00 0.00 C ATOM 1103 CD PRO A 69 4.753 16.383 10.952 1.00 0.00 C ATOM 0 HA PRO A 69 5.325 13.271 10.535 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.449 14.425 12.619 1.00 0.00 H new ATOM 0 HB3 PRO A 69 5.024 13.703 12.881 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.701 16.347 13.097 1.00 0.00 H new ATOM 0 HG3 PRO A 69 6.171 15.689 12.406 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.806 16.921 10.992 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.513 17.099 10.640 1.00 0.00 H new ATOM 1111 N PRO A 70 2.075 13.848 10.343 1.00 0.00 N ATOM 1112 CA PRO A 70 0.810 13.171 10.030 1.00 0.00 C ATOM 1113 C PRO A 70 0.838 12.432 8.689 1.00 0.00 C ATOM 1114 O PRO A 70 0.532 11.242 8.633 1.00 0.00 O ATOM 1115 CB PRO A 70 -0.226 14.300 10.015 1.00 0.00 C ATOM 1116 CG PRO A 70 0.401 15.414 10.783 1.00 0.00 C ATOM 1117 CD PRO A 70 1.886 15.287 10.578 1.00 0.00 C ATOM 0 HA PRO A 70 0.589 12.393 10.761 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.460 14.607 8.996 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.162 13.982 10.475 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.041 16.380 10.429 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.148 15.347 11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.227 15.881 9.730 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.443 15.628 11.451 1.00 0.00 H new ATOM 1125 N PRO A 71 1.208 13.113 7.586 1.00 0.00 N ATOM 1126 CA PRO A 71 1.268 12.478 6.262 1.00 0.00 C ATOM 1127 C PRO A 71 2.148 11.233 6.259 1.00 0.00 C ATOM 1128 O PRO A 71 2.006 10.364 5.401 1.00 0.00 O ATOM 1129 CB PRO A 71 1.875 13.564 5.370 1.00 0.00 C ATOM 1130 CG PRO A 71 1.561 14.842 6.062 1.00 0.00 C ATOM 1131 CD PRO A 71 1.603 14.534 7.533 1.00 0.00 C ATOM 0 HA PRO A 71 0.288 12.137 5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 71 2.951 13.429 5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 71 1.445 13.540 4.369 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.285 15.614 5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.580 15.214 5.769 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.597 14.692 7.950 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.916 15.165 8.097 1.00 0.00 H new ATOM 1139 N GLU A 72 3.059 11.154 7.225 1.00 0.00 N ATOM 1140 CA GLU A 72 3.961 10.015 7.332 1.00 0.00 C ATOM 1141 C GLU A 72 3.325 8.888 8.141 1.00 0.00 C ATOM 1142 O GLU A 72 2.915 7.869 7.587 1.00 0.00 O ATOM 1143 CB GLU A 72 5.280 10.442 7.980 1.00 0.00 C ATOM 1144 CG GLU A 72 6.075 11.436 7.149 1.00 0.00 C ATOM 1145 CD GLU A 72 6.754 10.787 5.959 1.00 0.00 C ATOM 1146 OE1 GLU A 72 6.038 10.289 5.065 1.00 0.00 O ATOM 1147 OE2 GLU A 72 8.003 10.779 5.919 1.00 0.00 O ATOM 0 H GLU A 72 3.191 11.866 7.944 1.00 0.00 H new ATOM 0 HA GLU A 72 4.160 9.646 6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.070 10.883 8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.892 9.557 8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.410 12.225 6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.828 11.911 7.778 1.00 0.00 H new ATOM 1154 N LYS A 73 3.249 9.079 9.455 1.00 0.00 N ATOM 1155 CA LYS A 73 2.667 8.080 10.345 1.00 0.00 C ATOM 1156 C LYS A 73 3.344 6.718 10.151 1.00 0.00 C ATOM 1157 O LYS A 73 4.452 6.501 10.644 1.00 0.00 O ATOM 1158 CB LYS A 73 1.153 7.983 10.118 1.00 0.00 C ATOM 1159 CG LYS A 73 0.474 6.909 10.954 1.00 0.00 C ATOM 1160 CD LYS A 73 -0.225 7.502 12.165 1.00 0.00 C ATOM 1161 CE LYS A 73 -0.337 6.491 13.295 1.00 0.00 C ATOM 1162 NZ LYS A 73 0.991 6.169 13.887 1.00 0.00 N ATOM 0 H LYS A 73 3.584 9.919 9.928 1.00 0.00 H new ATOM 0 HA LYS A 73 2.838 8.391 11.376 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.699 8.948 10.344 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.965 7.782 9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.251 6.374 10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.215 6.180 11.282 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.325 8.377 12.512 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.220 7.843 11.881 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.994 6.885 14.070 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.798 5.577 12.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.862 5.811 14.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.462 5.443 13.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.578 7.027 13.910 1.00 0.00 H new ATOM 1176 N SER A 74 2.687 5.804 9.433 1.00 0.00 N ATOM 1177 CA SER A 74 3.245 4.475 9.185 1.00 0.00 C ATOM 1178 C SER A 74 3.805 3.862 10.468 1.00 0.00 C ATOM 1179 O SER A 74 3.583 4.379 11.564 1.00 0.00 O ATOM 1180 CB SER A 74 4.342 4.552 8.119 1.00 0.00 C ATOM 1181 OG SER A 74 4.698 5.897 7.847 1.00 0.00 O ATOM 0 H SER A 74 1.770 5.960 9.014 1.00 0.00 H new ATOM 0 HA SER A 74 2.440 3.834 8.825 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.220 4.002 8.457 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.997 4.072 7.203 1.00 0.00 H new ATOM 0 HG SER A 74 3.911 6.385 7.527 1.00 0.00 H new ATOM 1187 N LEU A 75 4.534 2.761 10.324 1.00 0.00 N ATOM 1188 CA LEU A 75 5.129 2.082 11.468 1.00 0.00 C ATOM 1189 C LEU A 75 6.178 1.070 11.009 1.00 0.00 C ATOM 1190 O LEU A 75 7.360 1.396 10.917 1.00 0.00 O ATOM 1191 CB LEU A 75 4.051 1.394 12.312 1.00 0.00 C ATOM 1192 CG LEU A 75 2.799 0.955 11.545 1.00 0.00 C ATOM 1193 CD1 LEU A 75 2.281 -0.374 12.080 1.00 0.00 C ATOM 1194 CD2 LEU A 75 1.720 2.027 11.630 1.00 0.00 C ATOM 0 H LEU A 75 4.727 2.320 9.425 1.00 0.00 H new ATOM 0 HA LEU A 75 5.622 2.831 12.088 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.491 0.518 12.789 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.749 2.073 13.109 1.00 0.00 H new ATOM 0 HG LEU A 75 3.066 0.819 10.497 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.392 -0.669 11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.051 -1.137 11.965 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.029 -0.268 13.135 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.838 1.700 11.080 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.455 2.195 12.674 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.094 2.955 11.197 1.00 0.00 H new ATOM 1206 N ILE A 76 5.736 -0.155 10.715 1.00 0.00 N ATOM 1207 CA ILE A 76 6.630 -1.217 10.256 1.00 0.00 C ATOM 1208 C ILE A 76 7.842 -1.379 11.182 1.00 0.00 C ATOM 1209 O ILE A 76 8.075 -0.554 12.066 1.00 0.00 O ATOM 1210 CB ILE A 76 7.093 -0.964 8.798 1.00 0.00 C ATOM 1211 CG1 ILE A 76 7.583 -2.264 8.157 1.00 0.00 C ATOM 1212 CG2 ILE A 76 8.175 0.111 8.726 1.00 0.00 C ATOM 1213 CD1 ILE A 76 7.154 -2.425 6.715 1.00 0.00 C ATOM 0 H ILE A 76 4.758 -0.436 10.788 1.00 0.00 H new ATOM 0 HA ILE A 76 6.063 -2.148 10.283 1.00 0.00 H new ATOM 0 HB ILE A 76 6.231 -0.600 8.238 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.671 -2.298 8.210 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.209 -3.109 8.736 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.473 0.259 7.688 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.786 1.046 9.129 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.040 -0.204 9.310 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.536 -3.368 6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.066 -2.423 6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.551 -1.600 6.123 1.00 0.00 H new ATOM 1225 N GLY A 77 8.606 -2.449 10.979 1.00 0.00 N ATOM 1226 CA GLY A 77 9.773 -2.691 11.807 1.00 0.00 C ATOM 1227 C GLY A 77 11.076 -2.395 11.087 1.00 0.00 C ATOM 1228 O GLY A 77 12.135 -2.885 11.481 1.00 0.00 O ATOM 0 H GLY A 77 8.438 -3.150 10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.711 -2.075 12.704 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.772 -3.731 12.134 1.00 0.00 H new ATOM 1232 N MET A 78 11.000 -1.591 10.030 1.00 0.00 N ATOM 1233 CA MET A 78 12.184 -1.232 9.254 1.00 0.00 C ATOM 1234 C MET A 78 12.822 -2.469 8.631 1.00 0.00 C ATOM 1235 O MET A 78 13.291 -3.361 9.339 1.00 0.00 O ATOM 1236 CB MET A 78 13.201 -0.509 10.140 1.00 0.00 C ATOM 1237 CG MET A 78 12.616 0.669 10.901 1.00 0.00 C ATOM 1238 SD MET A 78 12.947 2.249 10.099 1.00 0.00 S ATOM 1239 CE MET A 78 14.468 2.731 10.912 1.00 0.00 C ATOM 0 H MET A 78 10.132 -1.176 9.691 1.00 0.00 H new ATOM 0 HA MET A 78 11.873 -0.563 8.451 1.00 0.00 H new ATOM 0 HB2 MET A 78 13.619 -1.220 10.853 1.00 0.00 H new ATOM 0 HB3 MET A 78 14.025 -0.157 9.520 1.00 0.00 H new ATOM 0 HG2 MET A 78 11.539 0.534 10.999 1.00 0.00 H new ATOM 0 HG3 MET A 78 13.028 0.685 11.910 1.00 0.00 H new ATOM 0 HE1 MET A 78 14.800 3.693 10.521 1.00 0.00 H new ATOM 0 HE2 MET A 78 14.296 2.815 11.985 1.00 0.00 H new ATOM 0 HE3 MET A 78 15.235 1.979 10.725 1.00 0.00 H new ATOM 1249 N THR A 79 12.835 -2.517 7.301 1.00 0.00 N ATOM 1250 CA THR A 79 13.415 -3.646 6.576 1.00 0.00 C ATOM 1251 C THR A 79 12.887 -4.973 7.116 1.00 0.00 C ATOM 1252 O THR A 79 13.576 -5.667 7.864 1.00 0.00 O ATOM 1253 CB THR A 79 14.942 -3.613 6.668 1.00 0.00 C ATOM 1254 OG1 THR A 79 15.363 -3.095 7.918 1.00 0.00 O ATOM 1255 CG2 THR A 79 15.590 -2.779 5.583 1.00 0.00 C ATOM 0 H THR A 79 12.450 -1.786 6.702 1.00 0.00 H new ATOM 0 HA THR A 79 13.121 -3.560 5.530 1.00 0.00 H new ATOM 0 HB THR A 79 15.258 -4.649 6.546 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.957 -3.616 8.642 1.00 0.00 H new ATOM 0 HG21 THR A 79 16.673 -2.798 5.707 1.00 0.00 H new ATOM 0 HG22 THR A 79 15.329 -3.187 4.606 1.00 0.00 H new ATOM 0 HG23 THR A 79 15.235 -1.751 5.654 1.00 0.00 H new ATOM 1263 N LYS A 80 11.662 -5.317 6.733 1.00 0.00 N ATOM 1264 CA LYS A 80 11.041 -6.559 7.180 1.00 0.00 C ATOM 1265 C LYS A 80 11.904 -7.766 6.824 1.00 0.00 C ATOM 1266 O LYS A 80 12.394 -7.883 5.700 1.00 0.00 O ATOM 1267 CB LYS A 80 9.647 -6.708 6.564 1.00 0.00 C ATOM 1268 CG LYS A 80 8.564 -7.037 7.581 1.00 0.00 C ATOM 1269 CD LYS A 80 7.910 -5.778 8.128 1.00 0.00 C ATOM 1270 CE LYS A 80 7.801 -5.819 9.644 1.00 0.00 C ATOM 1271 NZ LYS A 80 6.997 -6.980 10.114 1.00 0.00 N ATOM 0 H LYS A 80 11.079 -4.753 6.114 1.00 0.00 H new ATOM 0 HA LYS A 80 10.948 -6.516 8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.384 -5.782 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.675 -7.493 5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.807 -7.669 7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.996 -7.609 8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.490 -4.906 7.828 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.917 -5.665 7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.800 -5.870 10.078 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.346 -4.895 10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.761 -6.855 11.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.120 -7.043 9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.547 -7.854 9.994 1.00 0.00 H new ATOM 1285 N VAL A 81 12.083 -8.662 7.789 1.00 0.00 N ATOM 1286 CA VAL A 81 12.882 -9.864 7.585 1.00 0.00 C ATOM 1287 C VAL A 81 12.826 -10.770 8.814 1.00 0.00 C ATOM 1288 O VAL A 81 12.504 -11.954 8.708 1.00 0.00 O ATOM 1289 CB VAL A 81 14.352 -9.516 7.264 1.00 0.00 C ATOM 1290 CG1 VAL A 81 14.950 -8.638 8.351 1.00 0.00 C ATOM 1291 CG2 VAL A 81 15.179 -10.780 7.076 1.00 0.00 C ATOM 0 H VAL A 81 11.683 -8.577 8.724 1.00 0.00 H new ATOM 0 HA VAL A 81 12.457 -10.393 6.732 1.00 0.00 H new ATOM 0 HB VAL A 81 14.370 -8.957 6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 81 15.986 -8.406 8.103 1.00 0.00 H new ATOM 0 HG12 VAL A 81 14.379 -7.713 8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.915 -9.165 9.305 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.211 -10.510 6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.150 -11.373 7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.769 -11.364 6.252 1.00 0.00 H new ATOM 1301 N LYS A 82 13.129 -10.203 9.980 1.00 0.00 N ATOM 1302 CA LYS A 82 13.107 -10.950 11.236 1.00 0.00 C ATOM 1303 C LYS A 82 13.923 -12.238 11.142 1.00 0.00 C ATOM 1304 O LYS A 82 14.398 -12.609 10.070 1.00 0.00 O ATOM 1305 CB LYS A 82 11.664 -11.275 11.629 1.00 0.00 C ATOM 1306 CG LYS A 82 11.300 -10.815 13.030 1.00 0.00 C ATOM 1307 CD LYS A 82 10.652 -9.441 13.013 1.00 0.00 C ATOM 1308 CE LYS A 82 10.363 -8.944 14.419 1.00 0.00 C ATOM 1309 NZ LYS A 82 9.511 -7.722 14.413 1.00 0.00 N ATOM 0 H LYS A 82 13.394 -9.223 10.081 1.00 0.00 H new ATOM 0 HA LYS A 82 13.561 -10.322 12.002 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.987 -10.807 10.914 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.510 -12.352 11.557 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.619 -11.534 13.485 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.196 -10.788 13.650 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.308 -8.735 12.504 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.724 -9.482 12.443 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.866 -9.730 14.987 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.302 -8.729 14.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.337 -7.415 15.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.996 -6.963 13.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.604 -7.933 13.950 1.00 0.00 H new ATOM 1323 N VAL A 83 14.075 -12.913 12.279 1.00 0.00 N ATOM 1324 CA VAL A 83 14.824 -14.164 12.346 1.00 0.00 C ATOM 1325 C VAL A 83 16.234 -14.009 11.769 1.00 0.00 C ATOM 1326 O VAL A 83 17.194 -13.795 12.510 1.00 0.00 O ATOM 1327 CB VAL A 83 14.082 -15.301 11.610 1.00 0.00 C ATOM 1328 CG1 VAL A 83 14.866 -16.606 11.694 1.00 0.00 C ATOM 1329 CG2 VAL A 83 12.683 -15.475 12.181 1.00 0.00 C ATOM 0 H VAL A 83 13.686 -12.611 13.172 1.00 0.00 H new ATOM 0 HA VAL A 83 14.909 -14.425 13.401 1.00 0.00 H new ATOM 0 HB VAL A 83 13.995 -15.030 10.558 1.00 0.00 H new ATOM 0 HG11 VAL A 83 14.323 -17.391 11.168 1.00 0.00 H new ATOM 0 HG12 VAL A 83 15.845 -16.472 11.235 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.991 -16.889 12.739 1.00 0.00 H new ATOM 0 HG21 VAL A 83 12.172 -16.280 11.653 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.751 -15.722 13.240 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.123 -14.548 12.060 1.00 0.00 H new ATOM 1339 N GLY A 84 16.356 -14.123 10.449 1.00 0.00 N ATOM 1340 CA GLY A 84 17.652 -13.996 9.809 1.00 0.00 C ATOM 1341 C GLY A 84 18.044 -15.244 9.043 1.00 0.00 C ATOM 1342 O GLY A 84 18.817 -15.176 8.087 1.00 0.00 O ATOM 0 H GLY A 84 15.580 -14.301 9.812 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.636 -13.145 9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.408 -13.785 10.565 1.00 0.00 H new ATOM 1346 N LYS A 85 17.510 -16.387 9.464 1.00 0.00 N ATOM 1347 CA LYS A 85 17.808 -17.657 8.811 1.00 0.00 C ATOM 1348 C LYS A 85 16.585 -18.186 8.069 1.00 0.00 C ATOM 1349 O LYS A 85 15.602 -17.470 7.883 1.00 0.00 O ATOM 1350 CB LYS A 85 18.279 -18.687 9.840 1.00 0.00 C ATOM 1351 CG LYS A 85 19.240 -18.122 10.873 1.00 0.00 C ATOM 1352 CD LYS A 85 20.452 -17.481 10.216 1.00 0.00 C ATOM 1353 CE LYS A 85 21.399 -18.528 9.653 1.00 0.00 C ATOM 1354 NZ LYS A 85 22.005 -18.094 8.364 1.00 0.00 N ATOM 0 H LYS A 85 16.869 -16.459 10.254 1.00 0.00 H new ATOM 0 HA LYS A 85 18.605 -17.486 8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 85 17.410 -19.099 10.352 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.764 -19.513 9.319 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.724 -17.383 11.486 1.00 0.00 H new ATOM 0 HG3 LYS A 85 19.566 -18.919 11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.125 -16.817 9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.980 -16.866 10.945 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.189 -18.729 10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.859 -19.463 9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.644 -18.836 8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.253 -17.927 7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.542 -17.216 8.511 1.00 0.00 H new ATOM 1368 N GLU A 86 16.651 -19.445 7.648 1.00 0.00 N ATOM 1369 CA GLU A 86 15.548 -20.070 6.928 1.00 0.00 C ATOM 1370 C GLU A 86 14.522 -20.644 7.898 1.00 0.00 C ATOM 1371 O GLU A 86 14.876 -21.325 8.861 1.00 0.00 O ATOM 1372 CB GLU A 86 16.072 -21.174 6.007 1.00 0.00 C ATOM 1373 CG GLU A 86 17.306 -20.772 5.216 1.00 0.00 C ATOM 1374 CD GLU A 86 17.685 -21.799 4.164 1.00 0.00 C ATOM 1375 OE1 GLU A 86 16.871 -22.708 3.900 1.00 0.00 O ATOM 1376 OE2 GLU A 86 18.797 -21.693 3.606 1.00 0.00 O ATOM 0 H GLU A 86 17.457 -20.053 7.793 1.00 0.00 H new ATOM 0 HA GLU A 86 15.061 -19.305 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.305 -22.055 6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.283 -21.461 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.126 -19.812 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.143 -20.633 5.901 1.00 0.00 H new ATOM 1383 N ASP A 87 13.249 -20.364 7.639 1.00 0.00 N ATOM 1384 CA ASP A 87 12.171 -20.853 8.492 1.00 0.00 C ATOM 1385 C ASP A 87 10.807 -20.528 7.889 1.00 0.00 C ATOM 1386 O ASP A 87 10.357 -19.384 7.924 1.00 0.00 O ATOM 1387 CB ASP A 87 12.283 -20.242 9.890 1.00 0.00 C ATOM 1388 CG ASP A 87 12.503 -18.742 9.851 1.00 0.00 C ATOM 1389 OD1 ASP A 87 13.629 -18.315 9.521 1.00 0.00 O ATOM 1390 OD2 ASP A 87 11.549 -17.995 10.153 1.00 0.00 O ATOM 0 H ASP A 87 12.938 -19.802 6.847 1.00 0.00 H new ATOM 0 HA ASP A 87 12.264 -21.936 8.567 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.374 -20.458 10.452 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.108 -20.713 10.424 1.00 0.00 H new ATOM 1395 N SER A 88 10.156 -21.548 7.335 1.00 0.00 N ATOM 1396 CA SER A 88 8.840 -21.382 6.721 1.00 0.00 C ATOM 1397 C SER A 88 8.912 -20.517 5.463 1.00 0.00 C ATOM 1398 O SER A 88 7.883 -20.090 4.938 1.00 0.00 O ATOM 1399 CB SER A 88 7.857 -20.768 7.723 1.00 0.00 C ATOM 1400 OG SER A 88 7.873 -19.351 7.657 1.00 0.00 O ATOM 0 H SER A 88 10.519 -22.501 7.298 1.00 0.00 H new ATOM 0 HA SER A 88 8.485 -22.371 6.430 1.00 0.00 H new ATOM 0 HB2 SER A 88 6.850 -21.133 7.518 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.114 -21.090 8.732 1.00 0.00 H new ATOM 0 HG SER A 88 8.691 -19.013 8.078 1.00 0.00 H new ATOM 1406 N SER A 89 10.126 -20.260 4.979 1.00 0.00 N ATOM 1407 CA SER A 89 10.321 -19.446 3.781 1.00 0.00 C ATOM 1408 C SER A 89 9.472 -18.178 3.830 1.00 0.00 C ATOM 1409 O SER A 89 9.050 -17.661 2.796 1.00 0.00 O ATOM 1410 CB SER A 89 9.975 -20.257 2.531 1.00 0.00 C ATOM 1411 OG SER A 89 10.962 -21.240 2.271 1.00 0.00 O ATOM 0 H SER A 89 10.990 -20.604 5.399 1.00 0.00 H new ATOM 0 HA SER A 89 11.370 -19.152 3.741 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.005 -20.737 2.662 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.887 -19.590 1.674 1.00 0.00 H new ATOM 0 HG SER A 89 10.717 -21.746 1.468 1.00 0.00 H new ATOM 1417 N SER A 90 9.224 -17.682 5.039 1.00 0.00 N ATOM 1418 CA SER A 90 8.425 -16.476 5.223 1.00 0.00 C ATOM 1419 C SER A 90 6.998 -16.687 4.724 1.00 0.00 C ATOM 1420 O SER A 90 6.389 -15.782 4.153 1.00 0.00 O ATOM 1421 CB SER A 90 9.068 -15.295 4.491 1.00 0.00 C ATOM 1422 OG SER A 90 9.178 -14.167 5.342 1.00 0.00 O ATOM 0 H SER A 90 9.565 -18.097 5.906 1.00 0.00 H new ATOM 0 HA SER A 90 8.387 -16.254 6.289 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.056 -15.581 4.131 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.472 -15.037 3.616 1.00 0.00 H new ATOM 0 HG SER A 90 9.593 -13.427 4.852 1.00 0.00 H new ATOM 1428 N ALA A 91 6.470 -17.888 4.943 1.00 0.00 N ATOM 1429 CA ALA A 91 5.115 -18.217 4.515 1.00 0.00 C ATOM 1430 C ALA A 91 4.078 -17.499 5.371 1.00 0.00 C ATOM 1431 O ALA A 91 3.107 -16.945 4.854 1.00 0.00 O ATOM 1432 CB ALA A 91 4.896 -19.721 4.568 1.00 0.00 C ATOM 0 H ALA A 91 6.960 -18.649 5.414 1.00 0.00 H new ATOM 0 HA ALA A 91 4.994 -17.879 3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.881 -19.952 4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.608 -20.216 3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.042 -20.074 5.589 1.00 0.00 H new ATOM 1438 N GLU A 92 4.288 -17.512 6.683 1.00 0.00 N ATOM 1439 CA GLU A 92 3.371 -16.860 7.610 1.00 0.00 C ATOM 1440 C GLU A 92 3.642 -15.360 7.675 1.00 0.00 C ATOM 1441 O GLU A 92 2.733 -14.565 7.910 1.00 0.00 O ATOM 1442 CB GLU A 92 3.497 -17.478 9.004 1.00 0.00 C ATOM 1443 CG GLU A 92 2.167 -17.636 9.721 1.00 0.00 C ATOM 1444 CD GLU A 92 2.017 -18.993 10.380 1.00 0.00 C ATOM 1445 OE1 GLU A 92 2.315 -20.010 9.718 1.00 0.00 O ATOM 1446 OE2 GLU A 92 1.603 -19.040 11.557 1.00 0.00 O ATOM 0 H GLU A 92 5.085 -17.967 7.128 1.00 0.00 H new ATOM 0 HA GLU A 92 2.355 -17.011 7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.972 -18.455 8.918 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.156 -16.856 9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.071 -16.857 10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.355 -17.491 9.009 1.00 0.00 H new ATOM 1453 N PHE A 93 4.898 -14.984 7.462 1.00 0.00 N ATOM 1454 CA PHE A 93 5.292 -13.580 7.492 1.00 0.00 C ATOM 1455 C PHE A 93 4.605 -12.801 6.376 1.00 0.00 C ATOM 1456 O PHE A 93 4.224 -11.644 6.554 1.00 0.00 O ATOM 1457 CB PHE A 93 6.813 -13.454 7.356 1.00 0.00 C ATOM 1458 CG PHE A 93 7.572 -13.761 8.620 1.00 0.00 C ATOM 1459 CD1 PHE A 93 6.991 -14.496 9.643 1.00 0.00 C ATOM 1460 CD2 PHE A 93 8.874 -13.314 8.781 1.00 0.00 C ATOM 1461 CE1 PHE A 93 7.692 -14.777 10.799 1.00 0.00 C ATOM 1462 CE2 PHE A 93 9.581 -13.593 9.936 1.00 0.00 C ATOM 1463 CZ PHE A 93 8.989 -14.326 10.946 1.00 0.00 C ATOM 0 H PHE A 93 5.661 -15.632 7.267 1.00 0.00 H new ATOM 0 HA PHE A 93 4.983 -13.160 8.449 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.153 -14.126 6.568 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.056 -12.440 7.037 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.978 -14.853 9.534 1.00 0.00 H new ATOM 0 HD2 PHE A 93 9.342 -12.741 7.995 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.226 -15.349 11.588 1.00 0.00 H new ATOM 0 HE2 PHE A 93 10.595 -13.238 10.048 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.539 -14.546 11.849 1.00 0.00 H new ATOM 1473 N LEU A 94 4.452 -13.445 5.221 1.00 0.00 N ATOM 1474 CA LEU A 94 3.811 -12.815 4.070 1.00 0.00 C ATOM 1475 C LEU A 94 2.453 -12.230 4.448 1.00 0.00 C ATOM 1476 O LEU A 94 2.073 -11.161 3.971 1.00 0.00 O ATOM 1477 CB LEU A 94 3.645 -13.831 2.936 1.00 0.00 C ATOM 1478 CG LEU A 94 3.947 -13.293 1.536 1.00 0.00 C ATOM 1479 CD1 LEU A 94 5.366 -13.651 1.120 1.00 0.00 C ATOM 1480 CD2 LEU A 94 2.943 -13.832 0.528 1.00 0.00 C ATOM 0 H LEU A 94 4.763 -14.403 5.058 1.00 0.00 H new ATOM 0 HA LEU A 94 4.451 -12.000 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.299 -14.681 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.622 -14.206 2.952 1.00 0.00 H new ATOM 0 HG LEU A 94 3.860 -12.207 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.562 -13.260 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.073 -13.215 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.481 -14.735 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.174 -13.438 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.997 -14.920 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.938 -13.524 0.815 1.00 0.00 H new ATOM 1492 N GLU A 95 1.729 -12.936 5.310 1.00 0.00 N ATOM 1493 CA GLU A 95 0.415 -12.486 5.754 1.00 0.00 C ATOM 1494 C GLU A 95 0.511 -11.131 6.447 1.00 0.00 C ATOM 1495 O GLU A 95 -0.398 -10.306 6.351 1.00 0.00 O ATOM 1496 CB GLU A 95 -0.210 -13.517 6.698 1.00 0.00 C ATOM 1497 CG GLU A 95 -1.648 -13.867 6.351 1.00 0.00 C ATOM 1498 CD GLU A 95 -2.564 -13.838 7.560 1.00 0.00 C ATOM 1499 OE1 GLU A 95 -2.646 -14.863 8.268 1.00 0.00 O ATOM 1500 OE2 GLU A 95 -3.199 -12.789 7.798 1.00 0.00 O ATOM 0 H GLU A 95 2.030 -13.822 5.715 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.222 -12.379 4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.391 -14.426 6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.174 -13.133 7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.018 -13.166 5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.678 -14.859 5.901 1.00 0.00 H new ATOM 1507 N LYS A 96 1.620 -10.906 7.145 1.00 0.00 N ATOM 1508 CA LYS A 96 1.836 -9.650 7.853 1.00 0.00 C ATOM 1509 C LYS A 96 2.311 -8.562 6.896 1.00 0.00 C ATOM 1510 O LYS A 96 1.921 -7.401 7.016 1.00 0.00 O ATOM 1511 CB LYS A 96 2.861 -9.840 8.973 1.00 0.00 C ATOM 1512 CG LYS A 96 2.703 -8.850 10.116 1.00 0.00 C ATOM 1513 CD LYS A 96 3.266 -9.407 11.415 1.00 0.00 C ATOM 1514 CE LYS A 96 3.482 -8.309 12.445 1.00 0.00 C ATOM 1515 NZ LYS A 96 2.230 -7.987 13.184 1.00 0.00 N ATOM 0 H LYS A 96 2.383 -11.577 7.235 1.00 0.00 H new ATOM 0 HA LYS A 96 0.886 -9.340 8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.774 -10.853 9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.864 -9.745 8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.213 -7.919 9.866 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.648 -8.610 10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.583 -10.155 11.817 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.211 -9.912 11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.251 -8.621 13.152 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.851 -7.412 11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.419 -7.234 13.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.504 -7.665 12.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.891 -8.836 13.680 1.00 0.00 H new ATOM 1529 N ARG A 97 3.156 -8.948 5.945 1.00 0.00 N ATOM 1530 CA ARG A 97 3.686 -8.007 4.965 1.00 0.00 C ATOM 1531 C ARG A 97 2.558 -7.355 4.171 1.00 0.00 C ATOM 1532 O ARG A 97 2.664 -6.201 3.757 1.00 0.00 O ATOM 1533 CB ARG A 97 4.651 -8.719 4.014 1.00 0.00 C ATOM 1534 CG ARG A 97 6.115 -8.455 4.325 1.00 0.00 C ATOM 1535 CD ARG A 97 6.971 -9.683 4.059 1.00 0.00 C ATOM 1536 NE ARG A 97 8.379 -9.338 3.873 1.00 0.00 N ATOM 1537 CZ ARG A 97 8.878 -8.851 2.740 1.00 0.00 C ATOM 1538 NH1 ARG A 97 8.090 -8.651 1.690 1.00 0.00 N ATOM 1539 NH2 ARG A 97 10.170 -8.562 2.655 1.00 0.00 N ATOM 0 H ARG A 97 3.488 -9.906 5.832 1.00 0.00 H new ATOM 0 HA ARG A 97 4.225 -7.227 5.502 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.466 -9.792 4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 97 4.442 -8.402 2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.473 -7.623 3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.218 -8.157 5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.875 -10.379 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.603 -10.196 3.171 1.00 0.00 H new ATOM 0 HE ARG A 97 9.016 -9.479 4.657 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.096 -8.871 1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.479 -8.277 0.824 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.780 -8.713 3.458 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.553 -8.189 1.787 1.00 0.00 H new ATOM 1553 N ARG A 98 1.478 -8.102 3.964 1.00 0.00 N ATOM 1554 CA ARG A 98 0.330 -7.596 3.221 1.00 0.00 C ATOM 1555 C ARG A 98 -0.429 -6.557 4.040 1.00 0.00 C ATOM 1556 O ARG A 98 -0.826 -5.513 3.522 1.00 0.00 O ATOM 1557 CB ARG A 98 -0.602 -8.745 2.836 1.00 0.00 C ATOM 1558 CG ARG A 98 -0.281 -9.359 1.483 1.00 0.00 C ATOM 1559 CD ARG A 98 0.469 -10.672 1.630 1.00 0.00 C ATOM 1560 NE ARG A 98 1.911 -10.501 1.465 1.00 0.00 N ATOM 1561 CZ ARG A 98 2.514 -10.387 0.284 1.00 0.00 C ATOM 1562 NH1 ARG A 98 1.804 -10.424 -0.838 1.00 0.00 N ATOM 1563 NH2 ARG A 98 3.829 -10.235 0.223 1.00 0.00 N ATOM 0 H ARG A 98 1.374 -9.059 4.300 1.00 0.00 H new ATOM 0 HA ARG A 98 0.696 -7.119 2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.545 -9.520 3.600 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.629 -8.381 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.205 -9.527 0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.318 -8.661 0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.265 -11.098 2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.102 -11.384 0.891 1.00 0.00 H new ATOM 0 HE ARG A 98 2.489 -10.467 2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.791 -10.540 -0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.271 -10.336 -1.740 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.379 -10.205 1.081 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.291 -10.148 -0.682 1.00 0.00 H new ATOM 1577 N ALA A 99 -0.624 -6.848 5.323 1.00 0.00 N ATOM 1578 CA ALA A 99 -1.330 -5.935 6.214 1.00 0.00 C ATOM 1579 C ALA A 99 -0.621 -4.587 6.278 1.00 0.00 C ATOM 1580 O ALA A 99 -1.260 -3.535 6.260 1.00 0.00 O ATOM 1581 CB ALA A 99 -1.450 -6.541 7.604 1.00 0.00 C ATOM 0 H ALA A 99 -0.303 -7.708 5.768 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.332 -5.773 5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.979 -5.848 8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.002 -7.479 7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.455 -6.731 8.005 1.00 0.00 H new ATOM 1587 N ALA A 100 0.706 -4.629 6.344 1.00 0.00 N ATOM 1588 CA ALA A 100 1.510 -3.415 6.400 1.00 0.00 C ATOM 1589 C ALA A 100 1.234 -2.524 5.198 1.00 0.00 C ATOM 1590 O ALA A 100 1.332 -1.300 5.286 1.00 0.00 O ATOM 1591 CB ALA A 100 2.990 -3.747 6.471 1.00 0.00 C ATOM 0 H ALA A 100 1.248 -5.493 6.360 1.00 0.00 H new ATOM 0 HA ALA A 100 1.230 -2.875 7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.568 -2.824 6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.188 -4.339 7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.278 -4.317 5.587 1.00 0.00 H new ATOM 1597 N LEU A 101 0.899 -3.144 4.070 1.00 0.00 N ATOM 1598 CA LEU A 101 0.623 -2.396 2.852 1.00 0.00 C ATOM 1599 C LEU A 101 -0.537 -1.433 3.069 1.00 0.00 C ATOM 1600 O LEU A 101 -0.593 -0.372 2.446 1.00 0.00 O ATOM 1601 CB LEU A 101 0.314 -3.343 1.689 1.00 0.00 C ATOM 1602 CG LEU A 101 0.448 -2.719 0.297 1.00 0.00 C ATOM 1603 CD1 LEU A 101 1.899 -2.754 -0.168 1.00 0.00 C ATOM 1604 CD2 LEU A 101 -0.455 -3.435 -0.700 1.00 0.00 C ATOM 0 H LEU A 101 0.813 -4.156 3.976 1.00 0.00 H new ATOM 0 HA LEU A 101 1.514 -1.821 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.982 -4.202 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.702 -3.720 1.806 1.00 0.00 H new ATOM 0 HG LEU A 101 0.133 -1.677 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.974 -2.306 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.519 -2.193 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.243 -3.787 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.346 -2.978 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.174 -4.487 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.492 -3.354 -0.375 1.00 0.00 H new ATOM 1616 N GLU A 102 -1.448 -1.784 3.974 1.00 0.00 N ATOM 1617 CA GLU A 102 -2.574 -0.909 4.273 1.00 0.00 C ATOM 1618 C GLU A 102 -2.075 0.307 5.027 1.00 0.00 C ATOM 1619 O GLU A 102 -2.401 1.439 4.682 1.00 0.00 O ATOM 1620 CB GLU A 102 -3.646 -1.617 5.098 1.00 0.00 C ATOM 1621 CG GLU A 102 -4.822 -0.713 5.431 1.00 0.00 C ATOM 1622 CD GLU A 102 -4.890 -0.366 6.906 1.00 0.00 C ATOM 1623 OE1 GLU A 102 -4.454 -1.195 7.731 1.00 0.00 O ATOM 1624 OE2 GLU A 102 -5.380 0.735 7.234 1.00 0.00 O ATOM 0 H GLU A 102 -1.429 -2.655 4.505 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.028 -0.612 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.006 -2.487 4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.203 -1.985 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.746 0.205 4.848 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.749 -1.204 5.134 1.00 0.00 H new ATOM 1631 N ARG A 103 -1.251 0.068 6.045 1.00 0.00 N ATOM 1632 CA ARG A 103 -0.679 1.158 6.820 1.00 0.00 C ATOM 1633 C ARG A 103 0.089 2.067 5.876 1.00 0.00 C ATOM 1634 O ARG A 103 0.008 3.292 5.958 1.00 0.00 O ATOM 1635 CB ARG A 103 0.245 0.617 7.915 1.00 0.00 C ATOM 1636 CG ARG A 103 -0.324 -0.585 8.652 1.00 0.00 C ATOM 1637 CD ARG A 103 -0.576 -0.275 10.120 1.00 0.00 C ATOM 1638 NE ARG A 103 -1.014 -1.455 10.862 1.00 0.00 N ATOM 1639 CZ ARG A 103 -1.660 -1.402 12.025 1.00 0.00 C ATOM 1640 NH1 ARG A 103 -1.942 -0.232 12.586 1.00 0.00 N ATOM 1641 NH2 ARG A 103 -2.024 -2.525 12.632 1.00 0.00 N ATOM 0 H ARG A 103 -0.968 -0.864 6.348 1.00 0.00 H new ATOM 0 HA ARG A 103 -1.475 1.719 7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.200 0.340 7.469 1.00 0.00 H new ATOM 0 HB3 ARG A 103 0.447 1.411 8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.256 -0.894 8.180 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.368 -1.423 8.570 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.336 0.118 10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.333 0.505 10.201 1.00 0.00 H new ATOM 0 HE ARG A 103 -0.813 -2.373 10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.663 0.635 12.126 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.437 -0.200 13.477 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.809 -3.427 12.207 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.519 -2.486 13.523 1.00 0.00 H new ATOM 1655 N TYR A 104 0.808 1.437 4.952 1.00 0.00 N ATOM 1656 CA TYR A 104 1.568 2.157 3.946 1.00 0.00 C ATOM 1657 C TYR A 104 0.617 2.820 2.950 1.00 0.00 C ATOM 1658 O TYR A 104 0.930 3.861 2.378 1.00 0.00 O ATOM 1659 CB TYR A 104 2.521 1.208 3.217 1.00 0.00 C ATOM 1660 CG TYR A 104 3.257 1.853 2.064 1.00 0.00 C ATOM 1661 CD1 TYR A 104 2.661 1.971 0.815 1.00 0.00 C ATOM 1662 CD2 TYR A 104 4.546 2.345 2.224 1.00 0.00 C ATOM 1663 CE1 TYR A 104 3.327 2.561 -0.242 1.00 0.00 C ATOM 1664 CE2 TYR A 104 5.220 2.937 1.173 1.00 0.00 C ATOM 1665 CZ TYR A 104 4.607 3.043 -0.058 1.00 0.00 C ATOM 1666 OH TYR A 104 5.278 3.634 -1.105 1.00 0.00 O ATOM 0 H TYR A 104 0.878 0.422 4.883 1.00 0.00 H new ATOM 0 HA TYR A 104 2.159 2.929 4.438 1.00 0.00 H new ATOM 0 HB2 TYR A 104 3.249 0.820 3.930 1.00 0.00 H new ATOM 0 HB3 TYR A 104 1.955 0.355 2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 104 1.659 1.595 0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 104 5.030 2.263 3.186 1.00 0.00 H new ATOM 0 HE1 TYR A 104 2.849 2.645 -1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 104 6.222 3.315 1.315 1.00 0.00 H new ATOM 0 HH TYR A 104 6.231 3.701 -0.887 1.00 0.00 H new ATOM 1676 N LEU A 105 -0.543 2.197 2.739 1.00 0.00 N ATOM 1677 CA LEU A 105 -1.536 2.721 1.806 1.00 0.00 C ATOM 1678 C LEU A 105 -2.380 3.823 2.443 1.00 0.00 C ATOM 1679 O LEU A 105 -2.843 4.733 1.761 1.00 0.00 O ATOM 1680 CB LEU A 105 -2.449 1.593 1.326 1.00 0.00 C ATOM 1681 CG LEU A 105 -3.441 1.956 0.218 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -4.757 2.415 0.829 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -2.868 3.017 -0.718 1.00 0.00 C ATOM 0 H LEU A 105 -0.816 1.330 3.202 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.000 3.149 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.824 0.773 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.012 1.219 2.181 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.627 1.065 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.457 2.671 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.176 1.613 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.582 3.290 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.598 3.251 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.640 3.919 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.956 2.640 -1.181 1.00 0.00 H new ATOM 1695 N GLN A 106 -2.594 3.731 3.749 1.00 0.00 N ATOM 1696 CA GLN A 106 -3.399 4.720 4.455 1.00 0.00 C ATOM 1697 C GLN A 106 -2.774 6.111 4.367 1.00 0.00 C ATOM 1698 O GLN A 106 -3.475 7.104 4.181 1.00 0.00 O ATOM 1699 CB GLN A 106 -3.578 4.329 5.915 1.00 0.00 C ATOM 1700 CG GLN A 106 -4.863 3.565 6.188 1.00 0.00 C ATOM 1701 CD GLN A 106 -5.386 3.787 7.594 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -6.158 4.713 7.843 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -4.966 2.937 8.523 1.00 0.00 N ATOM 0 H GLN A 106 -2.224 2.986 4.339 1.00 0.00 H new ATOM 0 HA GLN A 106 -4.376 4.749 3.972 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.730 3.719 6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.564 5.230 6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.623 3.871 5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.688 2.500 6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.326 2.183 8.273 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.283 3.037 9.487 1.00 0.00 H new ATOM 1712 N ARG A 107 -1.455 6.181 4.513 1.00 0.00 N ATOM 1713 CA ARG A 107 -0.750 7.460 4.457 1.00 0.00 C ATOM 1714 C ARG A 107 -0.998 8.172 3.129 1.00 0.00 C ATOM 1715 O ARG A 107 -1.342 9.353 3.108 1.00 0.00 O ATOM 1716 CB ARG A 107 0.757 7.271 4.670 1.00 0.00 C ATOM 1717 CG ARG A 107 1.303 5.974 4.091 1.00 0.00 C ATOM 1718 CD ARG A 107 2.526 6.208 3.217 1.00 0.00 C ATOM 1719 NE ARG A 107 3.438 7.196 3.788 1.00 0.00 N ATOM 1720 CZ ARG A 107 4.344 6.917 4.724 1.00 0.00 C ATOM 1721 NH1 ARG A 107 4.443 5.690 5.218 1.00 0.00 N ATOM 1722 NH2 ARG A 107 5.151 7.870 5.168 1.00 0.00 N ATOM 0 H ARG A 107 -0.854 5.372 4.670 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.143 8.079 5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.286 8.110 4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 107 0.969 7.298 5.739 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.563 5.296 4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.526 5.484 3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.056 5.266 3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 107 2.205 6.541 2.230 1.00 0.00 H new ATOM 0 HE ARG A 107 3.378 8.156 3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.823 4.953 4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.139 5.483 5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 107 5.078 8.816 4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 107 5.845 7.658 5.885 1.00 0.00 H new ATOM 1736 N ILE A 108 -0.826 7.456 2.021 1.00 0.00 N ATOM 1737 CA ILE A 108 -1.042 8.051 0.704 1.00 0.00 C ATOM 1738 C ILE A 108 -2.518 8.348 0.475 1.00 0.00 C ATOM 1739 O ILE A 108 -2.878 9.448 0.065 1.00 0.00 O ATOM 1740 CB ILE A 108 -0.514 7.164 -0.448 1.00 0.00 C ATOM 1741 CG1 ILE A 108 -0.875 5.689 -0.217 1.00 0.00 C ATOM 1742 CG2 ILE A 108 0.990 7.354 -0.606 1.00 0.00 C ATOM 1743 CD1 ILE A 108 0.260 4.720 -0.481 1.00 0.00 C ATOM 0 H ILE A 108 -0.542 6.477 2.007 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.474 8.981 0.697 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.995 7.472 -1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.210 5.566 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.716 5.428 -0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.353 6.726 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.203 8.399 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.491 7.074 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.080 3.701 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.582 4.810 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.096 4.950 0.179 1.00 0.00 H new ATOM 1755 N VAL A 109 -3.378 7.379 0.761 1.00 0.00 N ATOM 1756 CA VAL A 109 -4.811 7.582 0.591 1.00 0.00 C ATOM 1757 C VAL A 109 -5.297 8.688 1.520 1.00 0.00 C ATOM 1758 O VAL A 109 -6.244 9.409 1.204 1.00 0.00 O ATOM 1759 CB VAL A 109 -5.611 6.294 0.865 1.00 0.00 C ATOM 1760 CG1 VAL A 109 -5.248 5.213 -0.143 1.00 0.00 C ATOM 1761 CG2 VAL A 109 -5.372 5.809 2.283 1.00 0.00 C ATOM 0 H VAL A 109 -3.114 6.457 1.107 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.978 7.869 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.672 6.519 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.823 4.311 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.477 5.563 -1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -4.184 4.990 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.945 4.899 2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.311 5.602 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.688 6.578 2.988 1.00 0.00 H new ATOM 1771 N ASN A 110 -4.634 8.821 2.668 1.00 0.00 N ATOM 1772 CA ASN A 110 -4.987 9.842 3.647 1.00 0.00 C ATOM 1773 C ASN A 110 -4.975 11.239 3.023 1.00 0.00 C ATOM 1774 O ASN A 110 -6.024 11.861 2.859 1.00 0.00 O ATOM 1775 CB ASN A 110 -4.021 9.791 4.838 1.00 0.00 C ATOM 1776 CG ASN A 110 -4.288 10.889 5.852 1.00 0.00 C ATOM 1777 OD1 ASN A 110 -3.559 11.878 5.920 1.00 0.00 O ATOM 1778 ND2 ASN A 110 -5.338 10.718 6.648 1.00 0.00 N ATOM 0 H ASN A 110 -3.848 8.232 2.941 1.00 0.00 H new ATOM 0 HA ASN A 110 -5.999 9.636 3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.104 8.821 5.328 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.997 9.878 4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -5.566 11.422 7.350 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.916 9.882 6.557 1.00 0.00 H new ATOM 1785 N HIS A 111 -3.783 11.731 2.684 1.00 0.00 N ATOM 1786 CA HIS A 111 -3.645 13.055 2.088 1.00 0.00 C ATOM 1787 C HIS A 111 -3.405 12.949 0.584 1.00 0.00 C ATOM 1788 O HIS A 111 -2.613 12.124 0.142 1.00 0.00 O ATOM 1789 CB HIS A 111 -2.498 13.816 2.753 1.00 0.00 C ATOM 1790 CG HIS A 111 -2.583 15.300 2.584 1.00 0.00 C ATOM 1791 ND1 HIS A 111 -3.473 16.199 3.068 1.00 0.00 N flip ATOM 1792 CD2 HIS A 111 -1.677 16.024 1.838 1.00 0.00 C flip ATOM 1793 CE1 HIS A 111 -3.092 17.436 2.609 1.00 0.00 C flip ATOM 1794 NE2 HIS A 111 -2.007 17.304 1.870 1.00 0.00 N flip ATOM 0 H HIS A 111 -2.903 11.232 2.813 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.574 13.603 2.250 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -2.486 13.581 3.817 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.553 13.466 2.339 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -4.276 15.995 3.663 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -0.830 15.610 1.310 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.599 18.366 2.819 1.00 0.00 H new ATOM 1803 N PRO A 112 -4.086 13.781 -0.223 1.00 0.00 N ATOM 1804 CA PRO A 112 -3.935 13.763 -1.685 1.00 0.00 C ATOM 1805 C PRO A 112 -2.590 14.313 -2.156 1.00 0.00 C ATOM 1806 O PRO A 112 -2.087 13.924 -3.211 1.00 0.00 O ATOM 1807 CB PRO A 112 -5.074 14.664 -2.167 1.00 0.00 C ATOM 1808 CG PRO A 112 -5.326 15.593 -1.031 1.00 0.00 C ATOM 1809 CD PRO A 112 -5.056 14.801 0.219 1.00 0.00 C ATOM 0 HA PRO A 112 -3.970 12.747 -2.078 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.794 15.208 -3.069 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -5.964 14.083 -2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -4.675 16.465 -1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -6.352 15.959 -1.047 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.646 15.428 1.011 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -5.966 14.347 0.611 1.00 0.00 H new ATOM 1817 N THR A 113 -2.017 15.227 -1.379 1.00 0.00 N ATOM 1818 CA THR A 113 -0.738 15.838 -1.732 1.00 0.00 C ATOM 1819 C THR A 113 0.439 14.911 -1.430 1.00 0.00 C ATOM 1820 O THR A 113 1.486 15.001 -2.070 1.00 0.00 O ATOM 1821 CB THR A 113 -0.560 17.162 -0.986 1.00 0.00 C ATOM 1822 OG1 THR A 113 -1.776 17.890 -0.958 1.00 0.00 O ATOM 1823 CG2 THR A 113 0.497 18.057 -1.596 1.00 0.00 C ATOM 0 H THR A 113 -2.417 15.561 -0.502 1.00 0.00 H new ATOM 0 HA THR A 113 -0.751 16.023 -2.806 1.00 0.00 H new ATOM 0 HB THR A 113 -0.242 16.885 0.019 1.00 0.00 H new ATOM 0 HG1 THR A 113 -2.144 17.877 -0.050 1.00 0.00 H new ATOM 0 HG21 THR A 113 0.571 18.978 -1.018 1.00 0.00 H new ATOM 0 HG22 THR A 113 1.458 17.544 -1.586 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.223 18.295 -2.624 1.00 0.00 H new ATOM 1831 N MET A 114 0.267 14.030 -0.450 1.00 0.00 N ATOM 1832 CA MET A 114 1.326 13.099 -0.066 1.00 0.00 C ATOM 1833 C MET A 114 1.682 12.147 -1.207 1.00 0.00 C ATOM 1834 O MET A 114 2.768 11.569 -1.224 1.00 0.00 O ATOM 1835 CB MET A 114 0.906 12.297 1.167 1.00 0.00 C ATOM 1836 CG MET A 114 2.024 12.106 2.181 1.00 0.00 C ATOM 1837 SD MET A 114 3.065 10.680 1.811 1.00 0.00 S ATOM 1838 CE MET A 114 1.837 9.380 1.737 1.00 0.00 C ATOM 0 H MET A 114 -0.592 13.940 0.092 1.00 0.00 H new ATOM 0 HA MET A 114 2.212 13.689 0.169 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.070 12.802 1.651 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.545 11.319 0.848 1.00 0.00 H new ATOM 0 HG2 MET A 114 2.641 13.004 2.208 1.00 0.00 H new ATOM 0 HG3 MET A 114 1.591 11.987 3.174 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.335 8.411 1.711 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.195 9.435 2.616 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.232 9.501 0.838 1.00 0.00 H new ATOM 1848 N LEU A 115 0.764 11.979 -2.155 1.00 0.00 N ATOM 1849 CA LEU A 115 0.995 11.087 -3.287 1.00 0.00 C ATOM 1850 C LEU A 115 1.855 11.760 -4.351 1.00 0.00 C ATOM 1851 O LEU A 115 2.876 11.215 -4.769 1.00 0.00 O ATOM 1852 CB LEU A 115 -0.337 10.649 -3.896 1.00 0.00 C ATOM 1853 CG LEU A 115 -1.246 9.858 -2.956 1.00 0.00 C ATOM 1854 CD1 LEU A 115 -1.939 10.792 -1.976 1.00 0.00 C ATOM 1855 CD2 LEU A 115 -2.270 9.060 -3.751 1.00 0.00 C ATOM 0 H LEU A 115 -0.143 12.446 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 115 1.528 10.210 -2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.873 11.535 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -0.134 10.041 -4.778 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.632 9.159 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.582 10.212 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.190 11.319 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.541 11.515 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -2.909 8.503 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.881 9.741 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.755 8.364 -4.413 1.00 0.00 H new ATOM 1867 N GLN A 116 1.440 12.948 -4.781 1.00 0.00 N ATOM 1868 CA GLN A 116 2.176 13.704 -5.794 1.00 0.00 C ATOM 1869 C GLN A 116 2.122 13.014 -7.155 1.00 0.00 C ATOM 1870 O GLN A 116 1.590 13.564 -8.119 1.00 0.00 O ATOM 1871 CB GLN A 116 3.634 13.893 -5.366 1.00 0.00 C ATOM 1872 CG GLN A 116 4.415 14.839 -6.264 1.00 0.00 C ATOM 1873 CD GLN A 116 5.005 16.012 -5.507 1.00 0.00 C ATOM 1874 OE1 GLN A 116 6.211 16.071 -5.272 1.00 0.00 O ATOM 1875 NE2 GLN A 116 4.153 16.956 -5.121 1.00 0.00 N ATOM 0 H GLN A 116 0.596 13.410 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 116 1.699 14.680 -5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 116 3.658 14.273 -4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.130 12.922 -5.357 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.217 14.288 -6.754 1.00 0.00 H new ATOM 0 HG3 GLN A 116 3.758 15.212 -7.050 1.00 0.00 H new ATOM 0 HE21 GLN A 116 3.160 16.866 -5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 116 4.492 17.770 -4.608 1.00 0.00 H new ATOM 1884 N ASP A 117 2.682 11.810 -7.230 1.00 0.00 N ATOM 1885 CA ASP A 117 2.705 11.052 -8.476 1.00 0.00 C ATOM 1886 C ASP A 117 1.291 10.834 -9.017 1.00 0.00 C ATOM 1887 O ASP A 117 0.430 10.291 -8.323 1.00 0.00 O ATOM 1888 CB ASP A 117 3.397 9.704 -8.257 1.00 0.00 C ATOM 1889 CG ASP A 117 4.668 9.570 -9.072 1.00 0.00 C ATOM 1890 OD1 ASP A 117 4.580 9.610 -10.318 1.00 0.00 O ATOM 1891 OD2 ASP A 117 5.749 9.422 -8.466 1.00 0.00 O ATOM 0 H ASP A 117 3.126 11.339 -6.442 1.00 0.00 H new ATOM 0 HA ASP A 117 3.264 11.628 -9.213 1.00 0.00 H new ATOM 0 HB2 ASP A 117 3.632 9.587 -7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 117 2.712 8.899 -8.522 1.00 0.00 H new ATOM 1896 N PRO A 118 1.031 11.258 -10.268 1.00 0.00 N ATOM 1897 CA PRO A 118 -0.287 11.109 -10.897 1.00 0.00 C ATOM 1898 C PRO A 118 -0.788 9.669 -10.879 1.00 0.00 C ATOM 1899 O PRO A 118 -1.994 9.424 -10.906 1.00 0.00 O ATOM 1900 CB PRO A 118 -0.054 11.570 -12.338 1.00 0.00 C ATOM 1901 CG PRO A 118 1.130 12.470 -12.263 1.00 0.00 C ATOM 1902 CD PRO A 118 1.996 11.921 -11.167 1.00 0.00 C ATOM 0 HA PRO A 118 -1.049 11.681 -10.368 1.00 0.00 H new ATOM 0 HB2 PRO A 118 0.134 10.724 -12.999 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -0.925 12.094 -12.731 1.00 0.00 H new ATOM 0 HG2 PRO A 118 1.666 12.490 -13.212 1.00 0.00 H new ATOM 0 HG3 PRO A 118 0.828 13.495 -12.046 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.734 11.218 -11.552 1.00 0.00 H new ATOM 0 HD3 PRO A 118 2.545 12.711 -10.655 1.00 0.00 H new ATOM 1910 N ASP A 119 0.140 8.716 -10.834 1.00 0.00 N ATOM 1911 CA ASP A 119 -0.226 7.306 -10.815 1.00 0.00 C ATOM 1912 C ASP A 119 -0.744 6.903 -9.450 1.00 0.00 C ATOM 1913 O ASP A 119 -1.767 6.233 -9.336 1.00 0.00 O ATOM 1914 CB ASP A 119 0.967 6.432 -11.169 1.00 0.00 C ATOM 1915 CG ASP A 119 1.641 6.854 -12.459 1.00 0.00 C ATOM 1916 OD1 ASP A 119 1.242 6.352 -13.531 1.00 0.00 O ATOM 1917 OD2 ASP A 119 2.569 7.689 -12.399 1.00 0.00 O ATOM 0 H ASP A 119 1.144 8.895 -10.810 1.00 0.00 H new ATOM 0 HA ASP A 119 -1.011 7.162 -11.557 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.692 6.469 -10.356 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.639 5.396 -11.257 1.00 0.00 H new ATOM 1922 N VAL A 120 -0.028 7.315 -8.412 1.00 0.00 N ATOM 1923 CA VAL A 120 -0.416 6.991 -7.051 1.00 0.00 C ATOM 1924 C VAL A 120 -1.797 7.540 -6.757 1.00 0.00 C ATOM 1925 O VAL A 120 -2.649 6.854 -6.193 1.00 0.00 O ATOM 1926 CB VAL A 120 0.570 7.563 -6.025 1.00 0.00 C ATOM 1927 CG1 VAL A 120 0.261 7.005 -4.647 1.00 0.00 C ATOM 1928 CG2 VAL A 120 2.005 7.264 -6.434 1.00 0.00 C ATOM 0 H VAL A 120 0.822 7.873 -8.489 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.414 5.904 -6.967 1.00 0.00 H new ATOM 0 HB VAL A 120 0.458 8.647 -5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.965 7.415 -3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.755 7.280 -4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.351 5.919 -4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.688 7.678 -5.693 1.00 0.00 H new ATOM 0 HG22 VAL A 120 2.148 6.185 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 120 2.208 7.714 -7.406 1.00 0.00 H new ATOM 1938 N ARG A 121 -2.016 8.780 -7.166 1.00 0.00 N ATOM 1939 CA ARG A 121 -3.297 9.429 -6.976 1.00 0.00 C ATOM 1940 C ARG A 121 -4.408 8.586 -7.590 1.00 0.00 C ATOM 1941 O ARG A 121 -5.548 8.614 -7.129 1.00 0.00 O ATOM 1942 CB ARG A 121 -3.284 10.829 -7.592 1.00 0.00 C ATOM 1943 CG ARG A 121 -4.526 11.644 -7.275 1.00 0.00 C ATOM 1944 CD ARG A 121 -4.320 12.518 -6.047 1.00 0.00 C ATOM 1945 NE ARG A 121 -4.967 13.820 -6.187 1.00 0.00 N ATOM 1946 CZ ARG A 121 -6.266 14.027 -5.979 1.00 0.00 C ATOM 1947 NH1 ARG A 121 -7.057 13.022 -5.626 1.00 0.00 N ATOM 1948 NH2 ARG A 121 -6.774 15.243 -6.126 1.00 0.00 N ATOM 0 H ARG A 121 -1.317 9.357 -7.634 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.484 9.527 -5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.406 11.366 -7.234 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.184 10.740 -8.674 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.780 12.270 -8.130 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.370 10.974 -7.109 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.717 12.009 -5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.253 12.660 -5.878 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.391 14.616 -6.460 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -6.671 12.085 -5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -8.051 13.187 -5.468 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -6.170 16.019 -6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -7.769 15.403 -5.967 1.00 0.00 H new ATOM 1962 N GLU A 122 -4.069 7.837 -8.642 1.00 0.00 N ATOM 1963 CA GLU A 122 -5.051 6.996 -9.316 1.00 0.00 C ATOM 1964 C GLU A 122 -4.773 5.505 -9.109 1.00 0.00 C ATOM 1965 O GLU A 122 -5.472 4.661 -9.669 1.00 0.00 O ATOM 1966 CB GLU A 122 -5.076 7.312 -10.813 1.00 0.00 C ATOM 1967 CG GLU A 122 -5.097 8.800 -11.120 1.00 0.00 C ATOM 1968 CD GLU A 122 -5.073 9.089 -12.607 1.00 0.00 C ATOM 1969 OE1 GLU A 122 -4.059 8.763 -13.260 1.00 0.00 O ATOM 1970 OE2 GLU A 122 -6.069 9.643 -13.120 1.00 0.00 O ATOM 0 H GLU A 122 -3.131 7.798 -9.040 1.00 0.00 H new ATOM 0 HA GLU A 122 -6.023 7.217 -8.875 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -4.201 6.864 -11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -5.954 6.845 -11.260 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -5.990 9.245 -10.682 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -4.238 9.277 -10.647 1.00 0.00 H new ATOM 1977 N PHE A 123 -3.756 5.173 -8.312 1.00 0.00 N ATOM 1978 CA PHE A 123 -3.426 3.773 -8.067 1.00 0.00 C ATOM 1979 C PHE A 123 -4.314 3.181 -6.978 1.00 0.00 C ATOM 1980 O PHE A 123 -4.849 2.083 -7.130 1.00 0.00 O ATOM 1981 CB PHE A 123 -1.952 3.628 -7.691 1.00 0.00 C ATOM 1982 CG PHE A 123 -1.190 2.723 -8.617 1.00 0.00 C ATOM 1983 CD1 PHE A 123 -1.663 1.454 -8.908 1.00 0.00 C ATOM 1984 CD2 PHE A 123 -0.005 3.144 -9.200 1.00 0.00 C ATOM 1985 CE1 PHE A 123 -0.968 0.621 -9.764 1.00 0.00 C ATOM 1986 CE2 PHE A 123 0.695 2.314 -10.055 1.00 0.00 C ATOM 1987 CZ PHE A 123 0.212 1.051 -10.338 1.00 0.00 C ATOM 0 H PHE A 123 -3.156 5.845 -7.833 1.00 0.00 H new ATOM 0 HA PHE A 123 -3.607 3.219 -8.988 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -1.485 4.613 -7.691 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -1.880 3.241 -6.675 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -2.585 1.112 -8.461 1.00 0.00 H new ATOM 0 HD2 PHE A 123 0.375 4.131 -8.984 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.348 -0.366 -9.984 1.00 0.00 H new ATOM 0 HE2 PHE A 123 1.618 2.652 -10.501 1.00 0.00 H new ATOM 0 HZ PHE A 123 0.756 0.401 -11.007 1.00 0.00 H new ATOM 1997 N LEU A 124 -4.467 3.913 -5.880 1.00 0.00 N ATOM 1998 CA LEU A 124 -5.291 3.455 -4.768 1.00 0.00 C ATOM 1999 C LEU A 124 -6.759 3.364 -5.177 1.00 0.00 C ATOM 2000 O LEU A 124 -7.522 2.581 -4.610 1.00 0.00 O ATOM 2001 CB LEU A 124 -5.135 4.390 -3.567 1.00 0.00 C ATOM 2002 CG LEU A 124 -5.789 5.766 -3.725 1.00 0.00 C ATOM 2003 CD1 LEU A 124 -7.084 5.838 -2.930 1.00 0.00 C ATOM 2004 CD2 LEU A 124 -4.832 6.867 -3.288 1.00 0.00 C ATOM 0 H LEU A 124 -4.032 4.824 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 124 -4.952 2.458 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.559 3.902 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.072 4.531 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.025 5.914 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.533 6.823 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.775 5.076 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.873 5.667 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -5.314 7.837 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.564 6.722 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.932 6.831 -3.902 1.00 0.00 H new ATOM 2016 N GLU A 125 -7.148 4.167 -6.163 1.00 0.00 N ATOM 2017 CA GLU A 125 -8.525 4.174 -6.644 1.00 0.00 C ATOM 2018 C GLU A 125 -8.636 3.491 -8.006 1.00 0.00 C ATOM 2019 O GLU A 125 -9.575 3.743 -8.761 1.00 0.00 O ATOM 2020 CB GLU A 125 -9.046 5.608 -6.737 1.00 0.00 C ATOM 2021 CG GLU A 125 -10.562 5.703 -6.786 1.00 0.00 C ATOM 2022 CD GLU A 125 -11.080 7.033 -6.272 1.00 0.00 C ATOM 2023 OE1 GLU A 125 -10.996 7.271 -5.049 1.00 0.00 O ATOM 2024 OE2 GLU A 125 -11.568 7.838 -7.094 1.00 0.00 O ATOM 0 H GLU A 125 -6.530 4.820 -6.644 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.133 3.617 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.682 6.174 -5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.632 6.079 -7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.898 5.559 -7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.992 4.896 -6.193 1.00 0.00 H new ATOM 2031 N LYS A 126 -7.674 2.626 -8.314 1.00 0.00 N ATOM 2032 CA LYS A 126 -7.670 1.909 -9.585 1.00 0.00 C ATOM 2033 C LYS A 126 -8.802 0.888 -9.635 1.00 0.00 C ATOM 2034 O LYS A 126 -8.906 0.018 -8.770 1.00 0.00 O ATOM 2035 CB LYS A 126 -6.325 1.210 -9.794 1.00 0.00 C ATOM 2036 CG LYS A 126 -6.239 0.433 -11.099 1.00 0.00 C ATOM 2037 CD LYS A 126 -5.297 1.101 -12.088 1.00 0.00 C ATOM 2038 CE LYS A 126 -5.784 0.939 -13.519 1.00 0.00 C ATOM 2039 NZ LYS A 126 -5.368 2.080 -14.380 1.00 0.00 N ATOM 0 H LYS A 126 -6.889 2.405 -7.702 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.823 2.633 -10.385 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -5.530 1.956 -9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -6.146 0.528 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -5.895 -0.581 -10.897 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -7.232 0.351 -11.540 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -5.210 2.161 -11.850 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -4.301 0.670 -11.991 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -5.392 0.010 -13.933 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -6.871 0.857 -13.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -5.720 1.931 -15.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -5.763 2.964 -14.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -4.330 2.143 -14.395 1.00 0.00 H new ATOM 2053 N GLU A 127 -9.650 1.000 -10.653 1.00 0.00 N ATOM 2054 CA GLU A 127 -10.774 0.085 -10.816 1.00 0.00 C ATOM 2055 C GLU A 127 -11.112 -0.106 -12.290 1.00 0.00 C ATOM 2056 O GLU A 127 -11.232 0.862 -13.040 1.00 0.00 O ATOM 2057 CB GLU A 127 -11.999 0.611 -10.064 1.00 0.00 C ATOM 2058 CG GLU A 127 -11.915 0.424 -8.558 1.00 0.00 C ATOM 2059 CD GLU A 127 -12.090 -1.023 -8.139 1.00 0.00 C ATOM 2060 OE1 GLU A 127 -11.228 -1.852 -8.497 1.00 0.00 O ATOM 2061 OE2 GLU A 127 -13.089 -1.326 -7.453 1.00 0.00 O ATOM 0 H GLU A 127 -9.580 1.715 -11.377 1.00 0.00 H new ATOM 0 HA GLU A 127 -10.487 -0.881 -10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -12.122 1.672 -10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -12.889 0.103 -10.436 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -10.950 0.787 -8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -12.680 1.033 -8.077 1.00 0.00 H new ATOM 2068 N GLU A 128 -11.266 -1.361 -12.698 1.00 0.00 N ATOM 2069 CA GLU A 128 -11.592 -1.679 -14.083 1.00 0.00 C ATOM 2070 C GLU A 128 -13.083 -1.960 -14.241 1.00 0.00 C ATOM 2071 O GLU A 128 -13.843 -1.660 -13.297 1.00 0.00 O ATOM 2072 CB GLU A 128 -10.781 -2.887 -14.556 1.00 0.00 C ATOM 2073 CG GLU A 128 -9.378 -2.533 -15.022 1.00 0.00 C ATOM 2074 CD GLU A 128 -8.398 -3.675 -14.841 1.00 0.00 C ATOM 2075 OE1 GLU A 128 -8.849 -4.837 -14.758 1.00 0.00 O ATOM 2076 OE2 GLU A 128 -7.179 -3.409 -14.783 1.00 0.00 O ATOM 2077 OXT GLU A 128 -13.477 -2.478 -15.307 1.00 0.00 O ATOM 0 H GLU A 128 -11.170 -2.174 -12.090 1.00 0.00 H new ATOM 0 HA GLU A 128 -11.336 -0.815 -14.697 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -10.713 -3.610 -13.743 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -11.314 -3.375 -15.372 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -9.409 -2.249 -16.074 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -9.024 -1.664 -14.468 1.00 0.00 H new TER 2084 GLU A 128