USER MOD reduce.3.24.130724 H: found=0, std=0, add=1067, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1064 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 SER OG : rot 103:sc= 0.449 USER MOD Set 1.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 42 GLN : amide:sc= 0 K(o=0.77,f=-0.35) USER MOD Set 1.4: A 126 ASN :FLIP amide:sc= 0.32 F(o=-1!,f=0.77) USER MOD Set 2.1: A 3 SER OG : rot -71:sc= -0.241 USER MOD Set 2.2: A 6 THR OG1 : rot 90:sc= 0.942 USER MOD Single : A 0 GLY N :NH3+ -113:sc= 0.14 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -65:sc= 0.534 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0444) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.017) USER MOD Single : A 36 ASN : amide:sc= 0.874 K(o=0.87,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.31) USER MOD Single : A 48 HIS : no HE2:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 53 GLN : amide:sc= 0.188 K(o=0.19,f=-5!) USER MOD Single : A 58 TYR OH : rot 154:sc= 0.532 USER MOD Single : A 59 CYS SG : rot -44:sc= 0.0534 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 90:sc= 0.484 USER MOD Single : A 70 LYS NZ :NH3+ 146:sc= 0.0237 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -2.33! C(o=-2.3!,f=-5.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -115:sc= 0 (180deg=-0.424) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00285 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -169:sc= 0 (180deg=-0.114) USER MOD Single : A 95 MET CE :methyl -166:sc= -0.0101 (180deg=-0.238) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.0372 F(o=-0.57,f=-0.037) USER MOD Single : A 102 ASN : amide:sc= 0.0916 X(o=0.092,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0252) USER MOD Single : A 107 THR OG1 : rot 180:sc=-0.00333 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.081) USER MOD Single : A 115 ASN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 175:sc= 0.338 (180deg=0.325) USER MOD Single : A 131 ASN : amide:sc= -0.015 K(o=-0.015,f=-0.57) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 8 N GLY A 0 0.696 1.397 -2.737 1.00 0.00 N ATOM 9 CA GLY A 0 0.003 2.341 -3.614 1.00 0.00 C ATOM 10 C GLY A 0 -0.177 3.676 -2.875 1.00 0.00 C ATOM 11 O GLY A 0 0.009 3.740 -1.657 1.00 0.00 O ATOM 0 H1 GLY A 0 1.639 1.191 -3.124 1.00 0.00 H new ATOM 0 H2 GLY A 0 0.794 1.812 -1.789 1.00 0.00 H new ATOM 0 H3 GLY A 0 0.148 0.515 -2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.575 2.492 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.967 1.940 -3.907 1.00 0.00 H new ATOM 15 N ALA A 1 -0.504 4.746 -3.599 1.00 0.00 N ATOM 16 CA ALA A 1 -0.581 6.110 -3.045 1.00 0.00 C ATOM 17 C ALA A 1 -1.439 7.057 -3.912 1.00 0.00 C ATOM 18 O ALA A 1 -1.872 6.687 -5.010 1.00 0.00 O ATOM 19 CB ALA A 1 0.853 6.616 -2.883 1.00 0.00 C ATOM 0 H ALA A 1 -0.726 4.697 -4.593 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.086 6.088 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.838 7.626 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.397 5.958 -2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.348 6.625 -3.854 1.00 0.00 H new ATOM 25 N LEU A 2 -1.683 8.280 -3.423 1.00 0.00 N ATOM 26 CA LEU A 2 -2.563 9.275 -4.051 1.00 0.00 C ATOM 27 C LEU A 2 -1.753 10.491 -4.537 1.00 0.00 C ATOM 28 O LEU A 2 -0.761 10.869 -3.917 1.00 0.00 O ATOM 29 CB LEU A 2 -3.638 9.757 -3.053 1.00 0.00 C ATOM 30 CG LEU A 2 -4.608 8.763 -2.386 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.170 7.726 -3.358 1.00 0.00 C ATOM 32 CD2 LEU A 2 -4.001 8.106 -1.153 1.00 0.00 C ATOM 0 H LEU A 2 -1.262 8.614 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.045 8.797 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.117 10.280 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.247 10.496 -3.573 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.457 9.360 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.846 7.057 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.714 8.232 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.351 7.149 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.722 7.414 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.101 7.561 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -3.746 8.872 -0.421 1.00 0.00 H new ATOM 44 N SER A 3 -2.168 11.122 -5.639 1.00 0.00 N ATOM 45 CA SER A 3 -1.508 12.307 -6.208 1.00 0.00 C ATOM 46 C SER A 3 -1.574 13.542 -5.302 1.00 0.00 C ATOM 47 O SER A 3 -2.456 13.623 -4.449 1.00 0.00 O ATOM 48 CB SER A 3 -2.190 12.632 -7.537 1.00 0.00 C ATOM 49 OG SER A 3 -3.381 13.371 -7.322 1.00 0.00 O ATOM 0 H SER A 3 -2.984 10.821 -6.171 1.00 0.00 H new ATOM 0 HA SER A 3 -0.452 12.068 -6.330 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.511 13.203 -8.170 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.420 11.709 -8.069 1.00 0.00 H new ATOM 0 HG SER A 3 -4.061 12.787 -6.927 1.00 0.00 H new ATOM 55 N TYR A 4 -0.744 14.558 -5.566 1.00 0.00 N ATOM 56 CA TYR A 4 -0.850 15.882 -4.928 1.00 0.00 C ATOM 57 C TYR A 4 -2.267 16.485 -5.004 1.00 0.00 C ATOM 58 O TYR A 4 -2.771 17.011 -4.012 1.00 0.00 O ATOM 59 CB TYR A 4 0.147 16.837 -5.598 1.00 0.00 C ATOM 60 CG TYR A 4 -0.012 18.292 -5.189 1.00 0.00 C ATOM 61 CD1 TYR A 4 0.668 18.791 -4.062 1.00 0.00 C ATOM 62 CD2 TYR A 4 -0.880 19.133 -5.915 1.00 0.00 C ATOM 63 CE1 TYR A 4 0.468 20.123 -3.649 1.00 0.00 C ATOM 64 CE2 TYR A 4 -1.093 20.459 -5.499 1.00 0.00 C ATOM 65 CZ TYR A 4 -0.421 20.960 -4.364 1.00 0.00 C ATOM 66 OH TYR A 4 -0.634 22.245 -3.973 1.00 0.00 O ATOM 0 H TYR A 4 0.026 14.488 -6.232 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.623 15.750 -3.870 1.00 0.00 H new ATOM 0 HB2 TYR A 4 1.160 16.513 -5.359 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.035 16.761 -6.680 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.344 18.152 -3.513 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.383 18.757 -6.794 1.00 0.00 H new ATOM 0 HE1 TYR A 4 0.993 20.505 -2.786 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.771 21.095 -6.049 1.00 0.00 H new ATOM 0 HH TYR A 4 -1.274 22.670 -4.581 1.00 0.00 H new ATOM 76 N GLU A 5 -2.913 16.388 -6.173 1.00 0.00 N ATOM 77 CA GLU A 5 -4.240 16.973 -6.451 1.00 0.00 C ATOM 78 C GLU A 5 -5.350 16.372 -5.580 1.00 0.00 C ATOM 79 O GLU A 5 -6.424 16.957 -5.424 1.00 0.00 O ATOM 80 CB GLU A 5 -4.616 16.731 -7.920 1.00 0.00 C ATOM 81 CG GLU A 5 -3.656 17.357 -8.934 1.00 0.00 C ATOM 82 CD GLU A 5 -3.980 18.838 -9.221 1.00 0.00 C ATOM 83 OE1 GLU A 5 -3.977 19.671 -8.280 1.00 0.00 O ATOM 84 OE2 GLU A 5 -4.237 19.189 -10.399 1.00 0.00 O ATOM 0 H GLU A 5 -2.522 15.890 -6.973 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.161 18.037 -6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.661 15.657 -8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.617 17.126 -8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.635 17.278 -8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.698 16.792 -9.865 1.00 0.00 H new ATOM 91 N THR A 6 -5.084 15.190 -5.029 1.00 0.00 N ATOM 92 CA THR A 6 -5.965 14.472 -4.099 1.00 0.00 C ATOM 93 C THR A 6 -6.155 15.258 -2.802 1.00 0.00 C ATOM 94 O THR A 6 -5.243 15.349 -1.972 1.00 0.00 O ATOM 95 CB THR A 6 -5.423 13.085 -3.746 1.00 0.00 C ATOM 96 OG1 THR A 6 -4.887 12.462 -4.888 1.00 0.00 O ATOM 97 CG2 THR A 6 -6.522 12.200 -3.165 1.00 0.00 C ATOM 0 H THR A 6 -4.219 14.684 -5.222 1.00 0.00 H new ATOM 0 HA THR A 6 -6.920 14.360 -4.612 1.00 0.00 H new ATOM 0 HB THR A 6 -4.640 13.216 -2.999 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.939 12.694 -4.973 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.110 11.220 -2.923 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.920 12.660 -2.260 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.322 12.086 -3.896 1.00 0.00 H new ATOM 105 N GLU A 7 -7.347 15.819 -2.608 1.00 0.00 N ATOM 106 CA GLU A 7 -7.669 16.562 -1.390 1.00 0.00 C ATOM 107 C GLU A 7 -8.176 15.607 -0.297 1.00 0.00 C ATOM 108 O GLU A 7 -9.100 14.819 -0.517 1.00 0.00 O ATOM 109 CB GLU A 7 -8.681 17.687 -1.658 1.00 0.00 C ATOM 110 CG GLU A 7 -8.355 18.520 -2.905 1.00 0.00 C ATOM 111 CD GLU A 7 -9.277 19.748 -3.023 1.00 0.00 C ATOM 112 OE1 GLU A 7 -10.455 19.592 -3.423 1.00 0.00 O ATOM 113 OE2 GLU A 7 -8.819 20.883 -2.742 1.00 0.00 O ATOM 0 H GLU A 7 -8.110 15.773 -3.283 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.753 17.036 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.674 17.252 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.718 18.346 -0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.316 18.847 -2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.459 17.900 -3.795 1.00 0.00 H new ATOM 120 N ILE A 8 -7.573 15.692 0.887 1.00 0.00 N ATOM 121 CA ILE A 8 -7.943 14.932 2.085 1.00 0.00 C ATOM 122 C ILE A 8 -8.782 15.851 2.963 1.00 0.00 C ATOM 123 O ILE A 8 -8.335 16.943 3.312 1.00 0.00 O ATOM 124 CB ILE A 8 -6.692 14.429 2.853 1.00 0.00 C ATOM 125 CG1 ILE A 8 -5.578 13.886 1.931 1.00 0.00 C ATOM 126 CG2 ILE A 8 -7.089 13.354 3.881 1.00 0.00 C ATOM 127 CD1 ILE A 8 -6.019 12.735 1.016 1.00 0.00 C ATOM 0 H ILE A 8 -6.782 16.316 1.047 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.508 14.044 1.802 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.280 15.300 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.204 14.702 1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.746 13.546 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.200 13.012 4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.797 13.776 4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.551 12.512 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.177 12.414 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.365 11.899 1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.829 13.073 0.370 1.00 0.00 H new ATOM 139 N LEU A 9 -10.008 15.437 3.284 1.00 0.00 N ATOM 140 CA LEU A 9 -10.871 16.170 4.209 1.00 0.00 C ATOM 141 C LEU A 9 -10.311 16.064 5.638 1.00 0.00 C ATOM 142 O LEU A 9 -10.172 14.958 6.168 1.00 0.00 O ATOM 143 CB LEU A 9 -12.296 15.598 4.119 1.00 0.00 C ATOM 144 CG LEU A 9 -13.324 16.412 4.928 1.00 0.00 C ATOM 145 CD1 LEU A 9 -13.676 17.727 4.233 1.00 0.00 C ATOM 146 CD2 LEU A 9 -14.606 15.602 5.106 1.00 0.00 C ATOM 0 H LEU A 9 -10.429 14.586 2.911 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.902 17.226 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.605 15.569 3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.292 14.569 4.478 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.873 16.634 5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.403 18.273 4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.775 18.330 4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.101 17.517 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.328 16.184 5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.025 15.365 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.381 14.678 5.638 1.00 0.00 H new ATOM 158 N THR A 10 -10.031 17.205 6.275 1.00 0.00 N ATOM 159 CA THR A 10 -9.468 17.270 7.633 1.00 0.00 C ATOM 160 C THR A 10 -10.303 18.138 8.576 1.00 0.00 C ATOM 161 O THR A 10 -10.973 19.082 8.152 1.00 0.00 O ATOM 162 CB THR A 10 -8.009 17.775 7.638 1.00 0.00 C ATOM 163 OG1 THR A 10 -7.932 19.124 7.225 1.00 0.00 O ATOM 164 CG2 THR A 10 -7.048 16.934 6.789 1.00 0.00 C ATOM 0 H THR A 10 -10.190 18.123 5.859 1.00 0.00 H new ATOM 0 HA THR A 10 -9.488 16.243 7.999 1.00 0.00 H new ATOM 0 HB THR A 10 -7.687 17.678 8.675 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.215 19.196 6.290 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.045 17.357 6.848 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.032 15.910 7.163 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.382 16.936 5.752 1.00 0.00 H new ATOM 172 N VAL A 11 -10.253 17.831 9.878 1.00 0.00 N ATOM 173 CA VAL A 11 -10.908 18.652 10.924 1.00 0.00 C ATOM 174 C VAL A 11 -10.186 19.990 11.139 1.00 0.00 C ATOM 175 O VAL A 11 -10.821 21.009 11.412 1.00 0.00 O ATOM 176 CB VAL A 11 -11.019 17.894 12.266 1.00 0.00 C ATOM 177 CG1 VAL A 11 -11.846 18.662 13.306 1.00 0.00 C ATOM 178 CG2 VAL A 11 -11.659 16.507 12.112 1.00 0.00 C ATOM 0 H VAL A 11 -9.763 17.014 10.242 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.915 18.859 10.561 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.988 17.792 12.605 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.893 18.086 14.230 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.378 19.627 13.503 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.855 18.819 12.925 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.711 16.020 13.086 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.665 16.613 11.705 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.056 15.901 11.436 1.00 0.00 H new ATOM 188 N GLU A 12 -8.857 20.002 10.995 1.00 0.00 N ATOM 189 CA GLU A 12 -8.020 21.191 11.228 1.00 0.00 C ATOM 190 C GLU A 12 -8.238 22.317 10.205 1.00 0.00 C ATOM 191 O GLU A 12 -8.141 23.491 10.575 1.00 0.00 O ATOM 192 CB GLU A 12 -6.540 20.778 11.219 1.00 0.00 C ATOM 193 CG GLU A 12 -6.042 20.277 12.581 1.00 0.00 C ATOM 194 CD GLU A 12 -6.092 21.377 13.662 1.00 0.00 C ATOM 195 OE1 GLU A 12 -5.233 22.291 13.653 1.00 0.00 O ATOM 196 OE2 GLU A 12 -6.991 21.331 14.538 1.00 0.00 O ATOM 0 H GLU A 12 -8.324 19.180 10.711 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.316 21.592 12.197 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.393 19.995 10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.934 21.629 10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.650 19.430 12.899 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.019 19.915 12.481 1.00 0.00 H new ATOM 203 N TYR A 13 -8.552 21.981 8.946 1.00 0.00 N ATOM 204 CA TYR A 13 -8.691 22.964 7.861 1.00 0.00 C ATOM 205 C TYR A 13 -9.834 22.656 6.882 1.00 0.00 C ATOM 206 O TYR A 13 -10.620 23.556 6.567 1.00 0.00 O ATOM 207 CB TYR A 13 -7.367 23.053 7.083 1.00 0.00 C ATOM 208 CG TYR A 13 -6.198 23.674 7.834 1.00 0.00 C ATOM 209 CD1 TYR A 13 -6.250 25.035 8.200 1.00 0.00 C ATOM 210 CD2 TYR A 13 -5.044 22.914 8.122 1.00 0.00 C ATOM 211 CE1 TYR A 13 -5.158 25.633 8.857 1.00 0.00 C ATOM 212 CE2 TYR A 13 -3.945 23.512 8.772 1.00 0.00 C ATOM 213 CZ TYR A 13 -4.000 24.876 9.141 1.00 0.00 C ATOM 214 OH TYR A 13 -2.942 25.468 9.759 1.00 0.00 O ATOM 0 H TYR A 13 -8.717 21.019 8.650 1.00 0.00 H new ATOM 0 HA TYR A 13 -8.938 23.914 8.336 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.082 22.048 6.772 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.539 23.631 6.175 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -7.130 25.620 7.976 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.003 21.871 7.844 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.206 26.673 9.144 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.062 22.929 8.988 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.226 24.811 9.883 1.00 0.00 H new ATOM 224 N GLY A 14 -9.936 21.419 6.384 1.00 0.00 N ATOM 225 CA GLY A 14 -10.871 21.033 5.322 1.00 0.00 C ATOM 226 C GLY A 14 -10.176 20.219 4.231 1.00 0.00 C ATOM 227 O GLY A 14 -9.201 19.520 4.499 1.00 0.00 O ATOM 0 H GLY A 14 -9.361 20.644 6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.687 20.449 5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.314 21.927 4.884 1.00 0.00 H new ATOM 231 N LEU A 15 -10.679 20.298 2.999 1.00 0.00 N ATOM 232 CA LEU A 15 -10.061 19.694 1.811 1.00 0.00 C ATOM 233 C LEU A 15 -8.683 20.328 1.515 1.00 0.00 C ATOM 234 O LEU A 15 -8.618 21.473 1.058 1.00 0.00 O ATOM 235 CB LEU A 15 -11.024 19.880 0.619 1.00 0.00 C ATOM 236 CG LEU A 15 -12.325 19.060 0.711 1.00 0.00 C ATOM 237 CD1 LEU A 15 -13.324 19.558 -0.333 1.00 0.00 C ATOM 238 CD2 LEU A 15 -12.085 17.567 0.475 1.00 0.00 C ATOM 0 H LEU A 15 -11.546 20.794 2.791 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.889 18.632 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.281 20.936 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.502 19.607 -0.298 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.716 19.192 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.243 18.975 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.547 20.609 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.896 19.445 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.031 17.030 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.661 17.419 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.392 17.187 1.225 1.00 0.00 H new ATOM 250 N LEU A 16 -7.591 19.587 1.747 1.00 0.00 N ATOM 251 CA LEU A 16 -6.209 20.013 1.457 1.00 0.00 C ATOM 252 C LEU A 16 -5.395 18.938 0.705 1.00 0.00 C ATOM 253 O LEU A 16 -5.606 17.746 0.938 1.00 0.00 O ATOM 254 CB LEU A 16 -5.484 20.366 2.771 1.00 0.00 C ATOM 255 CG LEU A 16 -5.913 21.682 3.442 1.00 0.00 C ATOM 256 CD1 LEU A 16 -5.035 21.892 4.674 1.00 0.00 C ATOM 257 CD2 LEU A 16 -5.733 22.903 2.536 1.00 0.00 C ATOM 0 H LEU A 16 -7.642 18.652 2.151 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.279 20.886 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.639 19.552 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.414 20.415 2.571 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.972 21.595 3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.319 22.820 5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.169 21.058 5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.990 21.948 4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.053 23.800 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.683 23.000 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.335 22.780 1.636 1.00 0.00 H new ATOM 269 N PRO A 17 -4.447 19.331 -0.171 1.00 0.00 N ATOM 270 CA PRO A 17 -3.655 18.408 -0.989 1.00 0.00 C ATOM 271 C PRO A 17 -2.728 17.529 -0.139 1.00 0.00 C ATOM 272 O PRO A 17 -1.877 18.037 0.598 1.00 0.00 O ATOM 273 CB PRO A 17 -2.868 19.297 -1.962 1.00 0.00 C ATOM 274 CG PRO A 17 -2.757 20.633 -1.236 1.00 0.00 C ATOM 275 CD PRO A 17 -4.072 20.711 -0.465 1.00 0.00 C ATOM 0 HA PRO A 17 -4.294 17.702 -1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.885 18.878 -2.179 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.387 19.403 -2.915 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.895 20.660 -0.569 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.647 21.464 -1.933 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.953 21.287 0.453 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.842 21.207 -1.056 1.00 0.00 H new ATOM 283 N ILE A 18 -2.850 16.204 -0.276 1.00 0.00 N ATOM 284 CA ILE A 18 -2.031 15.227 0.466 1.00 0.00 C ATOM 285 C ILE A 18 -0.523 15.445 0.289 1.00 0.00 C ATOM 286 O ILE A 18 0.233 15.321 1.251 1.00 0.00 O ATOM 287 CB ILE A 18 -2.429 13.781 0.097 1.00 0.00 C ATOM 288 CG1 ILE A 18 -1.811 12.773 1.090 1.00 0.00 C ATOM 289 CG2 ILE A 18 -2.098 13.426 -1.361 1.00 0.00 C ATOM 290 CD1 ILE A 18 -2.391 11.360 0.966 1.00 0.00 C ATOM 0 H ILE A 18 -3.524 15.772 -0.908 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.241 15.389 1.523 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.514 13.716 0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.734 12.731 0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.968 13.134 2.107 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.400 12.398 -1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.634 14.099 -2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.025 13.528 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.911 10.705 1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.464 11.389 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.211 10.980 -0.039 1.00 0.00 H new ATOM 302 N GLY A 19 -0.080 15.843 -0.909 1.00 0.00 N ATOM 303 CA GLY A 19 1.345 16.025 -1.192 1.00 0.00 C ATOM 304 C GLY A 19 1.978 17.149 -0.373 1.00 0.00 C ATOM 305 O GLY A 19 3.121 17.025 0.066 1.00 0.00 O ATOM 0 H GLY A 19 -0.692 16.045 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.872 15.093 -0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.475 16.239 -2.253 1.00 0.00 H new ATOM 309 N LYS A 20 1.215 18.212 -0.084 1.00 0.00 N ATOM 310 CA LYS A 20 1.673 19.347 0.729 1.00 0.00 C ATOM 311 C LYS A 20 1.676 19.019 2.222 1.00 0.00 C ATOM 312 O LYS A 20 2.567 19.447 2.947 1.00 0.00 O ATOM 313 CB LYS A 20 0.797 20.571 0.420 1.00 0.00 C ATOM 314 CG LYS A 20 1.604 21.871 0.531 1.00 0.00 C ATOM 315 CD LYS A 20 0.785 23.063 0.011 1.00 0.00 C ATOM 316 CE LYS A 20 1.618 24.351 -0.088 1.00 0.00 C ATOM 317 NZ LYS A 20 2.662 24.281 -1.151 1.00 0.00 N ATOM 0 H LYS A 20 0.254 18.309 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 20 2.707 19.571 0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.383 20.481 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.046 20.602 1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.886 22.042 1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.528 21.781 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.379 22.820 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.064 23.233 0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.955 25.193 -0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.096 24.545 0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.102 25.216 -1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.388 23.588 -0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.225 23.990 -2.049 1.00 0.00 H new ATOM 331 N ILE A 21 0.725 18.193 2.667 1.00 0.00 N ATOM 332 CA ILE A 21 0.659 17.675 4.041 1.00 0.00 C ATOM 333 C ILE A 21 1.856 16.765 4.305 1.00 0.00 C ATOM 334 O ILE A 21 2.445 16.832 5.375 1.00 0.00 O ATOM 335 CB ILE A 21 -0.685 16.952 4.281 1.00 0.00 C ATOM 336 CG1 ILE A 21 -1.858 17.959 4.188 1.00 0.00 C ATOM 337 CG2 ILE A 21 -0.738 16.186 5.615 1.00 0.00 C ATOM 338 CD1 ILE A 21 -3.236 17.303 4.013 1.00 0.00 C ATOM 0 H ILE A 21 -0.035 17.858 2.074 1.00 0.00 H new ATOM 0 HA ILE A 21 0.707 18.504 4.747 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.779 16.203 3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.870 18.570 5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.679 18.632 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.709 15.702 5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.047 15.430 5.632 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.589 16.882 6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.002 18.076 3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.245 16.715 3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.440 16.652 4.863 1.00 0.00 H new ATOM 350 N VAL A 22 2.254 15.961 3.319 1.00 0.00 N ATOM 351 CA VAL A 22 3.374 15.018 3.420 1.00 0.00 C ATOM 352 C VAL A 22 4.737 15.701 3.285 1.00 0.00 C ATOM 353 O VAL A 22 5.658 15.354 4.024 1.00 0.00 O ATOM 354 CB VAL A 22 3.178 13.901 2.383 1.00 0.00 C ATOM 355 CG1 VAL A 22 4.384 12.963 2.246 1.00 0.00 C ATOM 356 CG2 VAL A 22 1.953 13.058 2.786 1.00 0.00 C ATOM 0 H VAL A 22 1.798 15.945 2.407 1.00 0.00 H new ATOM 0 HA VAL A 22 3.374 14.583 4.419 1.00 0.00 H new ATOM 0 HB VAL A 22 3.043 14.392 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.169 12.202 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.259 13.537 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.582 12.483 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.804 12.262 2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.120 12.622 3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.068 13.693 2.816 1.00 0.00 H new ATOM 366 N GLU A 23 4.883 16.700 2.410 1.00 0.00 N ATOM 367 CA GLU A 23 6.172 17.390 2.226 1.00 0.00 C ATOM 368 C GLU A 23 6.480 18.419 3.330 1.00 0.00 C ATOM 369 O GLU A 23 7.651 18.655 3.645 1.00 0.00 O ATOM 370 CB GLU A 23 6.281 17.975 0.809 1.00 0.00 C ATOM 371 CG GLU A 23 5.471 19.257 0.537 1.00 0.00 C ATOM 372 CD GLU A 23 6.290 20.564 0.440 1.00 0.00 C ATOM 373 OE1 GLU A 23 7.476 20.619 0.849 1.00 0.00 O ATOM 374 OE2 GLU A 23 5.736 21.573 -0.063 1.00 0.00 O ATOM 0 H GLU A 23 4.130 17.051 1.818 1.00 0.00 H new ATOM 0 HA GLU A 23 6.954 16.638 2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.331 18.184 0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.963 17.212 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.921 19.125 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.732 19.372 1.330 1.00 0.00 H new ATOM 381 N LYS A 24 5.437 18.960 3.981 1.00 0.00 N ATOM 382 CA LYS A 24 5.548 19.856 5.153 1.00 0.00 C ATOM 383 C LYS A 24 5.284 19.143 6.488 1.00 0.00 C ATOM 384 O LYS A 24 5.411 19.769 7.545 1.00 0.00 O ATOM 385 CB LYS A 24 4.591 21.049 4.989 1.00 0.00 C ATOM 386 CG LYS A 24 4.804 21.893 3.729 1.00 0.00 C ATOM 387 CD LYS A 24 6.184 22.571 3.691 1.00 0.00 C ATOM 388 CE LYS A 24 6.187 23.749 2.707 1.00 0.00 C ATOM 389 NZ LYS A 24 5.548 24.964 3.290 1.00 0.00 N ATOM 0 H LYS A 24 4.471 18.785 3.704 1.00 0.00 H new ATOM 0 HA LYS A 24 6.580 20.205 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.567 20.674 4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.691 21.696 5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.692 21.259 2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.028 22.656 3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.448 22.924 4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.943 21.845 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.213 23.980 2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.660 23.463 1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.571 25.736 2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.561 24.751 3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.066 25.253 4.144 1.00 0.00 H new ATOM 403 N ARG A 25 4.940 17.847 6.448 1.00 0.00 N ATOM 404 CA ARG A 25 4.592 16.991 7.608 1.00 0.00 C ATOM 405 C ARG A 25 3.537 17.643 8.521 1.00 0.00 C ATOM 406 O ARG A 25 3.736 17.790 9.730 1.00 0.00 O ATOM 407 CB ARG A 25 5.870 16.550 8.351 1.00 0.00 C ATOM 408 CG ARG A 25 6.886 15.830 7.438 1.00 0.00 C ATOM 409 CD ARG A 25 8.281 16.460 7.517 1.00 0.00 C ATOM 410 NE ARG A 25 9.007 16.052 8.739 1.00 0.00 N ATOM 411 CZ ARG A 25 10.226 16.425 9.091 1.00 0.00 C ATOM 412 NH1 ARG A 25 10.906 17.311 8.418 1.00 0.00 N ATOM 413 NH2 ARG A 25 10.796 15.904 10.140 1.00 0.00 N ATOM 0 H ARG A 25 4.893 17.336 5.566 1.00 0.00 H new ATOM 0 HA ARG A 25 4.113 16.085 7.237 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.346 17.425 8.794 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.595 15.887 9.172 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.947 14.779 7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.532 15.862 6.407 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.859 16.171 6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.190 17.546 7.496 1.00 0.00 H new ATOM 0 HE ARG A 25 8.519 15.420 9.374 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.500 17.743 7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.844 17.572 8.722 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.302 15.205 10.694 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.736 16.195 10.407 1.00 0.00 H new ATOM 427 N ILE A 26 2.445 18.125 7.914 1.00 0.00 N ATOM 428 CA ILE A 26 1.393 18.900 8.594 1.00 0.00 C ATOM 429 C ILE A 26 0.593 17.978 9.520 1.00 0.00 C ATOM 430 O ILE A 26 0.005 16.993 9.072 1.00 0.00 O ATOM 431 CB ILE A 26 0.463 19.630 7.592 1.00 0.00 C ATOM 432 CG1 ILE A 26 1.291 20.489 6.614 1.00 0.00 C ATOM 433 CG2 ILE A 26 -0.569 20.495 8.343 1.00 0.00 C ATOM 434 CD1 ILE A 26 0.486 21.219 5.531 1.00 0.00 C ATOM 0 H ILE A 26 2.262 17.986 6.920 1.00 0.00 H new ATOM 0 HA ILE A 26 1.875 19.676 9.189 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.078 18.881 7.014 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.847 21.229 7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.025 19.847 6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.213 21.000 7.623 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.175 19.860 8.989 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.049 21.238 8.948 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.164 21.793 4.899 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.049 20.490 4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.229 21.893 6.002 1.00 0.00 H new ATOM 446 N GLU A 27 0.563 18.300 10.815 1.00 0.00 N ATOM 447 CA GLU A 27 -0.285 17.608 11.791 1.00 0.00 C ATOM 448 C GLU A 27 -1.751 18.030 11.632 1.00 0.00 C ATOM 449 O GLU A 27 -2.120 19.183 11.881 1.00 0.00 O ATOM 450 CB GLU A 27 0.201 17.839 13.230 1.00 0.00 C ATOM 451 CG GLU A 27 1.416 16.962 13.548 1.00 0.00 C ATOM 452 CD GLU A 27 1.820 17.085 15.028 1.00 0.00 C ATOM 453 OE1 GLU A 27 2.597 18.008 15.379 1.00 0.00 O ATOM 454 OE2 GLU A 27 1.368 16.256 15.857 1.00 0.00 O ATOM 0 H GLU A 27 1.126 19.049 11.218 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.212 16.539 11.592 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.461 18.889 13.365 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.605 17.617 13.930 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.187 15.922 13.316 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.254 17.253 12.914 1.00 0.00 H new ATOM 461 N CYS A 28 -2.583 17.074 11.224 1.00 0.00 N ATOM 462 CA CYS A 28 -4.023 17.241 11.026 1.00 0.00 C ATOM 463 C CYS A 28 -4.816 15.986 11.427 1.00 0.00 C ATOM 464 O CYS A 28 -4.253 14.927 11.699 1.00 0.00 O ATOM 465 CB CYS A 28 -4.282 17.678 9.567 1.00 0.00 C ATOM 466 SG CYS A 28 -3.627 16.478 8.362 1.00 0.00 S ATOM 0 H CYS A 28 -2.263 16.128 11.015 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.387 18.025 11.690 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.354 17.799 9.411 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.823 18.651 9.394 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.875 16.895 7.156 1.00 0.00 H new ATOM 472 N THR A 29 -6.145 16.110 11.442 1.00 0.00 N ATOM 473 CA THR A 29 -7.090 15.037 11.813 1.00 0.00 C ATOM 474 C THR A 29 -7.889 14.629 10.579 1.00 0.00 C ATOM 475 O THR A 29 -8.142 15.476 9.731 1.00 0.00 O ATOM 476 CB THR A 29 -8.051 15.523 12.915 1.00 0.00 C ATOM 477 OG1 THR A 29 -7.384 16.271 13.910 1.00 0.00 O ATOM 478 CG2 THR A 29 -8.778 14.413 13.668 1.00 0.00 C ATOM 0 H THR A 29 -6.613 16.981 11.191 1.00 0.00 H new ATOM 0 HA THR A 29 -6.530 14.183 12.193 1.00 0.00 H new ATOM 0 HB THR A 29 -8.771 16.119 12.354 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.029 16.561 14.588 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.431 14.852 14.422 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.375 13.829 12.968 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.049 13.764 14.153 1.00 0.00 H new ATOM 486 N VAL A 30 -8.324 13.373 10.484 1.00 0.00 N ATOM 487 CA VAL A 30 -9.024 12.802 9.311 1.00 0.00 C ATOM 488 C VAL A 30 -10.365 12.180 9.714 1.00 0.00 C ATOM 489 O VAL A 30 -10.678 12.129 10.903 1.00 0.00 O ATOM 490 CB VAL A 30 -8.146 11.765 8.570 1.00 0.00 C ATOM 491 CG1 VAL A 30 -6.775 12.338 8.201 1.00 0.00 C ATOM 492 CG2 VAL A 30 -7.926 10.461 9.351 1.00 0.00 C ATOM 0 H VAL A 30 -8.200 12.697 11.238 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.221 13.625 8.624 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.714 11.530 7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.191 11.578 7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.905 13.202 7.550 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.252 12.642 9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.301 9.787 8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.432 10.682 10.297 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.888 9.987 9.546 1.00 0.00 H new ATOM 502 N TYR A 31 -11.118 11.655 8.744 1.00 0.00 N ATOM 503 CA TYR A 31 -12.354 10.894 8.961 1.00 0.00 C ATOM 504 C TYR A 31 -12.219 9.474 8.393 1.00 0.00 C ATOM 505 O TYR A 31 -11.613 9.277 7.339 1.00 0.00 O ATOM 506 CB TYR A 31 -13.553 11.623 8.334 1.00 0.00 C ATOM 507 CG TYR A 31 -13.845 13.017 8.864 1.00 0.00 C ATOM 508 CD1 TYR A 31 -13.182 14.140 8.327 1.00 0.00 C ATOM 509 CD2 TYR A 31 -14.826 13.195 9.860 1.00 0.00 C ATOM 510 CE1 TYR A 31 -13.506 15.436 8.776 1.00 0.00 C ATOM 511 CE2 TYR A 31 -15.160 14.489 10.305 1.00 0.00 C ATOM 512 CZ TYR A 31 -14.505 15.614 9.755 1.00 0.00 C ATOM 513 OH TYR A 31 -14.841 16.870 10.159 1.00 0.00 O ATOM 0 H TYR A 31 -10.879 11.750 7.757 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.528 10.815 10.034 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.387 11.693 7.259 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.441 11.008 8.480 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -12.424 14.006 7.570 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.324 12.335 10.284 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.989 16.293 8.370 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.915 14.621 11.065 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.546 16.818 10.837 1.00 0.00 H new ATOM 523 N SER A 32 -12.768 8.482 9.096 1.00 0.00 N ATOM 524 CA SER A 32 -12.683 7.044 8.783 1.00 0.00 C ATOM 525 C SER A 32 -13.764 6.292 9.570 1.00 0.00 C ATOM 526 O SER A 32 -14.187 6.771 10.622 1.00 0.00 O ATOM 527 CB SER A 32 -11.269 6.563 9.164 1.00 0.00 C ATOM 528 OG SER A 32 -11.195 5.234 9.635 1.00 0.00 O ATOM 0 H SER A 32 -13.311 8.662 9.940 1.00 0.00 H new ATOM 0 HA SER A 32 -12.852 6.855 7.723 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.622 6.660 8.292 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.871 7.227 9.931 1.00 0.00 H new ATOM 0 HG SER A 32 -10.850 4.654 8.924 1.00 0.00 H new ATOM 534 N VAL A 33 -14.246 5.137 9.089 1.00 0.00 N ATOM 535 CA VAL A 33 -15.197 4.307 9.859 1.00 0.00 C ATOM 536 C VAL A 33 -14.480 3.304 10.761 1.00 0.00 C ATOM 537 O VAL A 33 -13.455 2.717 10.402 1.00 0.00 O ATOM 538 CB VAL A 33 -16.236 3.559 9.005 1.00 0.00 C ATOM 539 CG1 VAL A 33 -17.066 4.522 8.163 1.00 0.00 C ATOM 540 CG2 VAL A 33 -15.612 2.512 8.094 1.00 0.00 C ATOM 0 H VAL A 33 -13.998 4.754 8.177 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.742 5.032 10.464 1.00 0.00 H new ATOM 0 HB VAL A 33 -16.882 3.046 9.717 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -17.789 3.959 7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -17.593 5.216 8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -16.410 5.081 7.496 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -16.394 2.019 7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -14.909 2.994 7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.085 1.773 8.697 1.00 0.00 H new ATOM 550 N ASP A 34 -15.062 3.081 11.936 1.00 0.00 N ATOM 551 CA ASP A 34 -14.631 2.061 12.895 1.00 0.00 C ATOM 552 C ASP A 34 -15.098 0.656 12.469 1.00 0.00 C ATOM 553 O ASP A 34 -15.856 0.476 11.509 1.00 0.00 O ATOM 554 CB ASP A 34 -15.190 2.433 14.277 1.00 0.00 C ATOM 555 CG ASP A 34 -14.549 1.678 15.449 1.00 0.00 C ATOM 556 OD1 ASP A 34 -13.324 1.816 15.675 1.00 0.00 O ATOM 557 OD2 ASP A 34 -15.279 0.909 16.117 1.00 0.00 O ATOM 0 H ASP A 34 -15.868 3.617 12.259 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.542 2.031 12.931 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.054 3.503 14.433 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.263 2.244 14.283 1.00 0.00 H new ATOM 562 N ASN A 35 -14.712 -0.350 13.252 1.00 0.00 N ATOM 563 CA ASN A 35 -15.149 -1.747 13.104 1.00 0.00 C ATOM 564 C ASN A 35 -16.672 -1.929 13.302 1.00 0.00 C ATOM 565 O ASN A 35 -17.243 -2.939 12.885 1.00 0.00 O ATOM 566 CB ASN A 35 -14.366 -2.628 14.093 1.00 0.00 C ATOM 567 CG ASN A 35 -12.858 -2.548 13.913 1.00 0.00 C ATOM 568 OD1 ASN A 35 -12.131 -2.055 14.766 1.00 0.00 O ATOM 569 ND2 ASN A 35 -12.333 -3.021 12.802 1.00 0.00 N ATOM 0 H ASN A 35 -14.068 -0.217 14.031 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.939 -2.052 12.079 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.619 -2.331 15.111 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.684 -3.664 13.975 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.325 -2.976 12.655 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.935 -3.433 12.089 1.00 0.00 H new ATOM 576 N ASN A 36 -17.331 -0.939 13.918 1.00 0.00 N ATOM 577 CA ASN A 36 -18.770 -0.898 14.187 1.00 0.00 C ATOM 578 C ASN A 36 -19.570 -0.132 13.104 1.00 0.00 C ATOM 579 O ASN A 36 -20.791 -0.004 13.225 1.00 0.00 O ATOM 580 CB ASN A 36 -18.954 -0.277 15.586 1.00 0.00 C ATOM 581 CG ASN A 36 -18.392 -1.155 16.696 1.00 0.00 C ATOM 582 OD1 ASN A 36 -19.000 -2.135 17.108 1.00 0.00 O ATOM 583 ND2 ASN A 36 -17.229 -0.845 17.228 1.00 0.00 N ATOM 0 H ASN A 36 -16.850 -0.106 14.258 1.00 0.00 H new ATOM 0 HA ASN A 36 -19.174 -1.910 14.158 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -18.464 0.696 15.615 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -20.015 -0.105 15.766 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -16.841 -1.419 17.977 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -16.715 -0.031 16.892 1.00 0.00 H new ATOM 590 N GLY A 37 -18.912 0.403 12.064 1.00 0.00 N ATOM 591 CA GLY A 37 -19.560 1.171 10.987 1.00 0.00 C ATOM 592 C GLY A 37 -19.938 2.606 11.379 1.00 0.00 C ATOM 593 O GLY A 37 -20.975 3.117 10.950 1.00 0.00 O ATOM 0 H GLY A 37 -17.903 0.314 11.945 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -18.891 1.205 10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.460 0.644 10.670 1.00 0.00 H new ATOM 597 N ASN A 38 -19.107 3.249 12.205 1.00 0.00 N ATOM 598 CA ASN A 38 -19.295 4.618 12.709 1.00 0.00 C ATOM 599 C ASN A 38 -18.124 5.499 12.261 1.00 0.00 C ATOM 600 O ASN A 38 -16.972 5.183 12.557 1.00 0.00 O ATOM 601 CB ASN A 38 -19.382 4.602 14.247 1.00 0.00 C ATOM 602 CG ASN A 38 -20.709 4.071 14.749 1.00 0.00 C ATOM 603 OD1 ASN A 38 -21.661 4.810 14.971 1.00 0.00 O ATOM 604 ND2 ASN A 38 -20.819 2.777 14.939 1.00 0.00 N ATOM 0 H ASN A 38 -18.252 2.817 12.556 1.00 0.00 H new ATOM 0 HA ASN A 38 -20.222 5.024 12.306 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -18.575 3.989 14.647 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -19.232 5.613 14.626 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.699 2.383 15.272 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.025 2.165 14.753 1.00 0.00 H new ATOM 611 N ILE A 39 -18.416 6.596 11.560 1.00 0.00 N ATOM 612 CA ILE A 39 -17.429 7.608 11.168 1.00 0.00 C ATOM 613 C ILE A 39 -16.870 8.260 12.444 1.00 0.00 C ATOM 614 O ILE A 39 -17.606 8.906 13.197 1.00 0.00 O ATOM 615 CB ILE A 39 -18.052 8.654 10.217 1.00 0.00 C ATOM 616 CG1 ILE A 39 -18.664 7.987 8.961 1.00 0.00 C ATOM 617 CG2 ILE A 39 -16.996 9.691 9.772 1.00 0.00 C ATOM 618 CD1 ILE A 39 -19.548 8.938 8.152 1.00 0.00 C ATOM 0 H ILE A 39 -19.361 6.811 11.242 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.614 7.138 10.618 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.845 9.155 10.772 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.860 7.617 8.325 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -19.253 7.122 9.266 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.458 10.417 9.103 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.600 10.205 10.647 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.184 9.183 9.251 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.948 8.413 7.284 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -20.371 9.289 8.775 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.956 9.791 7.819 1.00 0.00 H new ATOM 630 N TYR A 40 -15.568 8.105 12.667 1.00 0.00 N ATOM 631 CA TYR A 40 -14.809 8.732 13.756 1.00 0.00 C ATOM 632 C TYR A 40 -13.670 9.612 13.220 1.00 0.00 C ATOM 633 O TYR A 40 -13.321 9.558 12.036 1.00 0.00 O ATOM 634 CB TYR A 40 -14.301 7.664 14.743 1.00 0.00 C ATOM 635 CG TYR A 40 -13.142 6.790 14.275 1.00 0.00 C ATOM 636 CD1 TYR A 40 -13.390 5.665 13.465 1.00 0.00 C ATOM 637 CD2 TYR A 40 -11.823 7.059 14.701 1.00 0.00 C ATOM 638 CE1 TYR A 40 -12.336 4.811 13.090 1.00 0.00 C ATOM 639 CE2 TYR A 40 -10.771 6.190 14.345 1.00 0.00 C ATOM 640 CZ TYR A 40 -11.028 5.052 13.549 1.00 0.00 C ATOM 641 OH TYR A 40 -10.031 4.171 13.262 1.00 0.00 O ATOM 0 H TYR A 40 -14.985 7.516 12.072 1.00 0.00 H new ATOM 0 HA TYR A 40 -15.481 9.395 14.301 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -13.998 8.167 15.661 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.137 7.012 14.998 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.395 5.456 13.130 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.619 7.933 15.301 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.532 3.966 12.446 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.766 6.395 14.682 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.191 4.489 13.653 1.00 0.00 H new ATOM 651 N THR A 41 -13.083 10.425 14.104 1.00 0.00 N ATOM 652 CA THR A 41 -11.960 11.322 13.787 1.00 0.00 C ATOM 653 C THR A 41 -10.698 10.930 14.553 1.00 0.00 C ATOM 654 O THR A 41 -10.754 10.619 15.745 1.00 0.00 O ATOM 655 CB THR A 41 -12.295 12.800 14.057 1.00 0.00 C ATOM 656 OG1 THR A 41 -12.906 12.987 15.321 1.00 0.00 O ATOM 657 CG2 THR A 41 -13.234 13.377 12.998 1.00 0.00 C ATOM 0 H THR A 41 -13.378 10.481 15.079 1.00 0.00 H new ATOM 0 HA THR A 41 -11.775 11.209 12.719 1.00 0.00 H new ATOM 0 HB THR A 41 -11.338 13.321 14.029 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.100 13.938 15.453 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.444 14.422 13.228 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.762 13.309 12.018 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.166 12.813 12.992 1.00 0.00 H new ATOM 665 N GLN A 42 -9.552 10.967 13.866 1.00 0.00 N ATOM 666 CA GLN A 42 -8.248 10.549 14.399 1.00 0.00 C ATOM 667 C GLN A 42 -7.103 11.406 13.822 1.00 0.00 C ATOM 668 O GLN A 42 -7.153 11.750 12.636 1.00 0.00 O ATOM 669 CB GLN A 42 -8.043 9.049 14.101 1.00 0.00 C ATOM 670 CG GLN A 42 -7.939 8.705 12.601 1.00 0.00 C ATOM 671 CD GLN A 42 -8.055 7.206 12.298 1.00 0.00 C ATOM 672 OE1 GLN A 42 -8.813 6.790 11.433 1.00 0.00 O ATOM 673 NE2 GLN A 42 -7.320 6.344 12.966 1.00 0.00 N ATOM 0 H GLN A 42 -9.502 11.296 12.902 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.234 10.702 15.478 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.135 8.712 14.602 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.872 8.489 14.533 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.723 9.237 12.061 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.985 9.070 12.220 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.682 6.672 13.691 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.388 5.348 12.759 1.00 0.00 H new ATOM 682 N PRO A 43 -6.086 11.789 14.618 1.00 0.00 N ATOM 683 CA PRO A 43 -4.934 12.541 14.126 1.00 0.00 C ATOM 684 C PRO A 43 -3.978 11.660 13.306 1.00 0.00 C ATOM 685 O PRO A 43 -3.822 10.464 13.570 1.00 0.00 O ATOM 686 CB PRO A 43 -4.253 13.105 15.376 1.00 0.00 C ATOM 687 CG PRO A 43 -4.592 12.085 16.458 1.00 0.00 C ATOM 688 CD PRO A 43 -5.979 11.584 16.057 1.00 0.00 C ATOM 0 HA PRO A 43 -5.241 13.334 13.443 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.176 13.200 15.238 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.631 14.096 15.626 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.865 11.273 16.486 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.601 12.539 17.449 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.100 10.531 16.310 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.759 12.131 16.587 1.00 0.00 H new ATOM 696 N VAL A 44 -3.307 12.267 12.325 1.00 0.00 N ATOM 697 CA VAL A 44 -2.191 11.661 11.578 1.00 0.00 C ATOM 698 C VAL A 44 -1.046 11.255 12.524 1.00 0.00 C ATOM 699 O VAL A 44 -0.803 11.914 13.541 1.00 0.00 O ATOM 700 CB VAL A 44 -1.715 12.628 10.471 1.00 0.00 C ATOM 701 CG1 VAL A 44 -1.074 13.911 11.011 1.00 0.00 C ATOM 702 CG2 VAL A 44 -0.724 11.969 9.513 1.00 0.00 C ATOM 0 H VAL A 44 -3.525 13.215 12.017 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.539 10.746 11.099 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.629 12.893 9.939 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.764 14.542 10.178 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.797 14.449 11.624 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.204 13.656 11.616 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.419 12.689 8.753 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.152 11.635 10.069 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.197 11.113 9.032 1.00 0.00 H new ATOM 712 N ALA A 45 -0.326 10.183 12.183 1.00 0.00 N ATOM 713 CA ALA A 45 0.784 9.648 12.976 1.00 0.00 C ATOM 714 C ALA A 45 2.145 9.822 12.268 1.00 0.00 C ATOM 715 O ALA A 45 3.121 10.232 12.904 1.00 0.00 O ATOM 716 CB ALA A 45 0.480 8.175 13.282 1.00 0.00 C ATOM 0 H ALA A 45 -0.502 9.652 11.330 1.00 0.00 H new ATOM 0 HA ALA A 45 0.870 10.208 13.907 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.292 7.751 13.873 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.452 8.105 13.843 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.384 7.622 12.348 1.00 0.00 H new ATOM 722 N GLN A 46 2.203 9.569 10.954 1.00 0.00 N ATOM 723 CA GLN A 46 3.390 9.715 10.100 1.00 0.00 C ATOM 724 C GLN A 46 3.022 10.249 8.700 1.00 0.00 C ATOM 725 O GLN A 46 1.848 10.423 8.368 1.00 0.00 O ATOM 726 CB GLN A 46 4.122 8.362 9.957 1.00 0.00 C ATOM 727 CG GLN A 46 4.766 7.807 11.237 1.00 0.00 C ATOM 728 CD GLN A 46 3.842 6.992 12.144 1.00 0.00 C ATOM 729 OE1 GLN A 46 3.755 7.206 13.347 1.00 0.00 O ATOM 730 NE2 GLN A 46 3.152 5.993 11.629 1.00 0.00 N ATOM 0 H GLN A 46 1.388 9.243 10.434 1.00 0.00 H new ATOM 0 HA GLN A 46 4.048 10.438 10.582 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.412 7.625 9.582 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.899 8.470 9.200 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.612 7.181 10.954 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.166 8.642 11.812 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.209 5.796 10.630 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.562 5.418 12.230 1.00 0.00 H new ATOM 739 N TRP A 47 4.027 10.453 7.845 1.00 0.00 N ATOM 740 CA TRP A 47 3.880 10.914 6.461 1.00 0.00 C ATOM 741 C TRP A 47 4.834 10.114 5.560 1.00 0.00 C ATOM 742 O TRP A 47 6.040 10.071 5.824 1.00 0.00 O ATOM 743 CB TRP A 47 4.182 12.421 6.398 1.00 0.00 C ATOM 744 CG TRP A 47 3.332 13.302 7.270 1.00 0.00 C ATOM 745 CD1 TRP A 47 2.253 14.015 6.870 1.00 0.00 C ATOM 746 CD2 TRP A 47 3.471 13.568 8.701 1.00 0.00 C ATOM 747 NE1 TRP A 47 1.706 14.685 7.945 1.00 0.00 N ATOM 748 CE2 TRP A 47 2.400 14.421 9.106 1.00 0.00 C ATOM 749 CE3 TRP A 47 4.386 13.171 9.704 1.00 0.00 C ATOM 750 CZ2 TRP A 47 2.232 14.831 10.433 1.00 0.00 C ATOM 751 CZ3 TRP A 47 4.212 13.564 11.046 1.00 0.00 C ATOM 752 CH2 TRP A 47 3.131 14.385 11.412 1.00 0.00 C ATOM 0 H TRP A 47 5.000 10.296 8.106 1.00 0.00 H new ATOM 0 HA TRP A 47 2.861 10.753 6.109 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.226 12.573 6.670 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.071 12.750 5.365 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.876 14.054 5.859 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.892 15.297 7.888 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.233 12.556 9.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.416 15.486 10.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.913 13.233 11.798 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.994 14.671 12.444 1.00 0.00 H new ATOM 763 N HIS A 48 4.305 9.480 4.509 1.00 0.00 N ATOM 764 CA HIS A 48 5.065 8.628 3.588 1.00 0.00 C ATOM 765 C HIS A 48 5.017 9.193 2.159 1.00 0.00 C ATOM 766 O HIS A 48 3.967 9.608 1.660 1.00 0.00 O ATOM 767 CB HIS A 48 4.535 7.181 3.606 1.00 0.00 C ATOM 768 CG HIS A 48 4.375 6.564 4.978 1.00 0.00 C ATOM 769 ND1 HIS A 48 5.350 5.920 5.707 1.00 0.00 N ATOM 770 CD2 HIS A 48 3.212 6.478 5.697 1.00 0.00 C ATOM 771 CE1 HIS A 48 4.792 5.460 6.841 1.00 0.00 C ATOM 772 NE2 HIS A 48 3.484 5.779 6.882 1.00 0.00 N ATOM 0 H HIS A 48 3.316 9.546 4.269 1.00 0.00 H new ATOM 0 HA HIS A 48 6.102 8.617 3.925 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.569 7.160 3.102 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.212 6.557 3.023 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.327 5.811 5.434 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.253 6.879 5.403 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.318 4.913 7.609 1.00 0.00 H new ATOM 780 N ASP A 49 6.163 9.164 1.481 1.00 0.00 N ATOM 781 CA ASP A 49 6.364 9.710 0.135 1.00 0.00 C ATOM 782 C ASP A 49 6.991 8.653 -0.790 1.00 0.00 C ATOM 783 O ASP A 49 8.038 8.067 -0.500 1.00 0.00 O ATOM 784 CB ASP A 49 7.167 11.025 0.187 1.00 0.00 C ATOM 785 CG ASP A 49 8.329 11.052 1.201 1.00 0.00 C ATOM 786 OD1 ASP A 49 9.388 10.426 0.955 1.00 0.00 O ATOM 787 OD2 ASP A 49 8.208 11.745 2.240 1.00 0.00 O ATOM 0 H ASP A 49 7.010 8.745 1.866 1.00 0.00 H new ATOM 0 HA ASP A 49 5.394 9.963 -0.294 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.569 11.224 -0.806 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.482 11.840 0.423 1.00 0.00 H new ATOM 792 N ARG A 50 6.297 8.372 -1.902 1.00 0.00 N ATOM 793 CA ARG A 50 6.662 7.320 -2.873 1.00 0.00 C ATOM 794 C ARG A 50 7.589 7.830 -3.978 1.00 0.00 C ATOM 795 O ARG A 50 8.382 7.067 -4.532 1.00 0.00 O ATOM 796 CB ARG A 50 5.388 6.764 -3.502 1.00 0.00 C ATOM 797 CG ARG A 50 4.343 6.263 -2.484 1.00 0.00 C ATOM 798 CD ARG A 50 4.839 5.163 -1.535 1.00 0.00 C ATOM 799 NE ARG A 50 5.300 3.968 -2.273 1.00 0.00 N ATOM 800 CZ ARG A 50 5.369 2.725 -1.835 1.00 0.00 C ATOM 801 NH1 ARG A 50 5.055 2.388 -0.616 1.00 0.00 N ATOM 802 NH2 ARG A 50 5.760 1.788 -2.648 1.00 0.00 N ATOM 0 H ARG A 50 5.449 8.877 -2.160 1.00 0.00 H new ATOM 0 HA ARG A 50 7.204 6.545 -2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.934 7.539 -4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.654 5.942 -4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.003 7.110 -1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.477 5.888 -3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.655 5.550 -0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.036 4.882 -0.853 1.00 0.00 H new ATOM 0 HE ARG A 50 5.601 4.123 -3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.740 3.099 0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.124 1.414 -0.322 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.008 2.018 -3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.818 0.823 -2.323 1.00 0.00 H new ATOM 816 N GLY A 51 7.466 9.116 -4.308 1.00 0.00 N ATOM 817 CA GLY A 51 8.284 9.827 -5.294 1.00 0.00 C ATOM 818 C GLY A 51 7.779 9.695 -6.734 1.00 0.00 C ATOM 819 O GLY A 51 7.466 10.703 -7.362 1.00 0.00 O ATOM 0 H GLY A 51 6.764 9.717 -3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.319 10.883 -5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.306 9.451 -5.242 1.00 0.00 H new ATOM 823 N GLU A 52 7.676 8.472 -7.264 1.00 0.00 N ATOM 824 CA GLU A 52 7.436 8.192 -8.690 1.00 0.00 C ATOM 825 C GLU A 52 6.862 6.788 -8.934 1.00 0.00 C ATOM 826 O GLU A 52 7.585 5.788 -8.999 1.00 0.00 O ATOM 827 CB GLU A 52 8.748 8.256 -9.481 1.00 0.00 C ATOM 828 CG GLU A 52 9.460 9.604 -9.497 1.00 0.00 C ATOM 829 CD GLU A 52 10.468 9.831 -8.344 1.00 0.00 C ATOM 830 OE1 GLU A 52 11.185 8.883 -7.936 1.00 0.00 O ATOM 831 OE2 GLU A 52 10.607 10.985 -7.869 1.00 0.00 O ATOM 0 H GLU A 52 7.759 7.625 -6.702 1.00 0.00 H new ATOM 0 HA GLU A 52 6.721 8.948 -9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.432 7.512 -9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.541 7.966 -10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.988 9.707 -10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.709 10.394 -9.463 1.00 0.00 H new ATOM 838 N GLN A 53 5.546 6.720 -9.107 1.00 0.00 N ATOM 839 CA GLN A 53 4.820 5.496 -9.495 1.00 0.00 C ATOM 840 C GLN A 53 3.813 5.751 -10.632 1.00 0.00 C ATOM 841 O GLN A 53 3.473 6.894 -10.931 1.00 0.00 O ATOM 842 CB GLN A 53 4.153 4.891 -8.246 1.00 0.00 C ATOM 843 CG GLN A 53 5.204 4.709 -7.133 1.00 0.00 C ATOM 844 CD GLN A 53 4.756 4.014 -5.866 1.00 0.00 C ATOM 845 OE1 GLN A 53 5.489 3.255 -5.243 1.00 0.00 O ATOM 846 NE2 GLN A 53 3.642 4.406 -5.293 1.00 0.00 N ATOM 0 H GLN A 53 4.934 7.526 -8.981 1.00 0.00 H new ATOM 0 HA GLN A 53 5.532 4.775 -9.897 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.351 5.542 -7.899 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.700 3.931 -8.493 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.042 4.148 -7.548 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.583 5.694 -6.862 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.010 5.038 -5.785 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.408 4.079 -4.356 1.00 0.00 H new ATOM 855 N GLU A 54 3.355 4.686 -11.298 1.00 0.00 N ATOM 856 CA GLU A 54 2.393 4.746 -12.413 1.00 0.00 C ATOM 857 C GLU A 54 0.991 5.230 -11.983 1.00 0.00 C ATOM 858 O GLU A 54 0.222 4.492 -11.364 1.00 0.00 O ATOM 859 CB GLU A 54 2.317 3.393 -13.150 1.00 0.00 C ATOM 860 CG GLU A 54 2.237 2.147 -12.248 1.00 0.00 C ATOM 861 CD GLU A 54 1.801 0.899 -13.041 1.00 0.00 C ATOM 862 OE1 GLU A 54 2.465 0.545 -14.047 1.00 0.00 O ATOM 863 OE2 GLU A 54 0.804 0.244 -12.649 1.00 0.00 O ATOM 0 H GLU A 54 3.647 3.735 -11.075 1.00 0.00 H new ATOM 0 HA GLU A 54 2.772 5.498 -13.106 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.444 3.404 -13.803 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.193 3.299 -13.791 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.209 1.966 -11.790 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.531 2.329 -11.437 1.00 0.00 H new ATOM 870 N VAL A 55 0.645 6.473 -12.332 1.00 0.00 N ATOM 871 CA VAL A 55 -0.635 7.107 -11.964 1.00 0.00 C ATOM 872 C VAL A 55 -1.615 7.115 -13.137 1.00 0.00 C ATOM 873 O VAL A 55 -1.268 7.468 -14.268 1.00 0.00 O ATOM 874 CB VAL A 55 -0.426 8.548 -11.458 1.00 0.00 C ATOM 875 CG1 VAL A 55 -1.718 9.140 -10.886 1.00 0.00 C ATOM 876 CG2 VAL A 55 0.606 8.598 -10.332 1.00 0.00 C ATOM 0 H VAL A 55 1.251 7.079 -12.885 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.059 6.509 -11.157 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.090 9.119 -12.324 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.530 10.156 -10.540 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.485 9.156 -11.660 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.059 8.529 -10.050 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.730 9.628 -9.998 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.265 7.984 -9.498 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.560 8.217 -10.696 1.00 0.00 H new ATOM 886 N PHE A 56 -2.877 6.803 -12.836 1.00 0.00 N ATOM 887 CA PHE A 56 -3.989 6.832 -13.792 1.00 0.00 C ATOM 888 C PHE A 56 -5.105 7.767 -13.304 1.00 0.00 C ATOM 889 O PHE A 56 -5.409 7.830 -12.113 1.00 0.00 O ATOM 890 CB PHE A 56 -4.539 5.413 -13.997 1.00 0.00 C ATOM 891 CG PHE A 56 -3.588 4.408 -14.622 1.00 0.00 C ATOM 892 CD1 PHE A 56 -2.514 3.879 -13.878 1.00 0.00 C ATOM 893 CD2 PHE A 56 -3.793 3.975 -15.946 1.00 0.00 C ATOM 894 CE1 PHE A 56 -1.618 2.974 -14.470 1.00 0.00 C ATOM 895 CE2 PHE A 56 -2.909 3.048 -16.530 1.00 0.00 C ATOM 896 CZ PHE A 56 -1.807 2.569 -15.802 1.00 0.00 C ATOM 0 H PHE A 56 -3.162 6.516 -11.900 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.617 7.213 -14.743 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.858 5.026 -13.029 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.429 5.478 -14.623 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.379 4.171 -12.847 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.629 4.354 -16.514 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.784 2.590 -13.902 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.078 2.704 -17.540 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.106 1.890 -16.266 1.00 0.00 H new ATOM 906 N GLU A 57 -5.715 8.492 -14.241 1.00 0.00 N ATOM 907 CA GLU A 57 -6.882 9.346 -14.039 1.00 0.00 C ATOM 908 C GLU A 57 -8.181 8.539 -14.157 1.00 0.00 C ATOM 909 O GLU A 57 -8.678 8.288 -15.257 1.00 0.00 O ATOM 910 CB GLU A 57 -6.837 10.483 -15.065 1.00 0.00 C ATOM 911 CG GLU A 57 -7.794 11.630 -14.748 1.00 0.00 C ATOM 912 CD GLU A 57 -7.251 12.942 -15.347 1.00 0.00 C ATOM 913 OE1 GLU A 57 -7.497 13.219 -16.547 1.00 0.00 O ATOM 914 OE2 GLU A 57 -6.553 13.691 -14.619 1.00 0.00 O ATOM 0 H GLU A 57 -5.392 8.499 -15.208 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.861 9.765 -13.033 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.821 10.873 -15.118 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.077 10.082 -16.050 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.782 11.415 -15.155 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.909 11.732 -13.669 1.00 0.00 H new ATOM 921 N TYR A 58 -8.720 8.102 -13.021 1.00 0.00 N ATOM 922 CA TYR A 58 -10.023 7.441 -12.945 1.00 0.00 C ATOM 923 C TYR A 58 -11.137 8.499 -13.003 1.00 0.00 C ATOM 924 O TYR A 58 -11.326 9.278 -12.064 1.00 0.00 O ATOM 925 CB TYR A 58 -10.107 6.572 -11.680 1.00 0.00 C ATOM 926 CG TYR A 58 -8.877 5.714 -11.447 1.00 0.00 C ATOM 927 CD1 TYR A 58 -8.625 4.578 -12.243 1.00 0.00 C ATOM 928 CD2 TYR A 58 -7.948 6.112 -10.471 1.00 0.00 C ATOM 929 CE1 TYR A 58 -7.429 3.847 -12.066 1.00 0.00 C ATOM 930 CE2 TYR A 58 -6.755 5.392 -10.303 1.00 0.00 C ATOM 931 CZ TYR A 58 -6.485 4.267 -11.104 1.00 0.00 C ATOM 932 OH TYR A 58 -5.298 3.618 -10.965 1.00 0.00 O ATOM 0 H TYR A 58 -8.259 8.198 -12.116 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.152 6.774 -13.797 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.258 7.218 -10.815 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -10.982 5.926 -11.751 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.344 4.267 -12.986 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.152 6.972 -9.850 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.237 2.969 -12.665 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.041 5.703 -9.555 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.630 4.233 -10.595 1.00 0.00 H new ATOM 942 N CYS A 59 -11.848 8.558 -14.129 1.00 0.00 N ATOM 943 CA CYS A 59 -12.992 9.439 -14.335 1.00 0.00 C ATOM 944 C CYS A 59 -14.287 8.752 -13.878 1.00 0.00 C ATOM 945 O CYS A 59 -14.560 7.606 -14.238 1.00 0.00 O ATOM 946 CB CYS A 59 -13.056 9.804 -15.824 1.00 0.00 C ATOM 947 SG CYS A 59 -14.405 10.983 -16.142 1.00 0.00 S ATOM 0 H CYS A 59 -11.637 7.979 -14.942 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.880 10.347 -13.742 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.106 10.237 -16.138 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.207 8.903 -16.418 1.00 0.00 H new ATOM 0 HG CYS A 59 -15.472 10.604 -15.503 1.00 0.00 H new ATOM 953 N LEU A 60 -15.104 9.465 -13.106 1.00 0.00 N ATOM 954 CA LEU A 60 -16.390 8.993 -12.588 1.00 0.00 C ATOM 955 C LEU A 60 -17.561 9.309 -13.534 1.00 0.00 C ATOM 956 O LEU A 60 -17.433 10.110 -14.459 1.00 0.00 O ATOM 957 CB LEU A 60 -16.596 9.661 -11.218 1.00 0.00 C ATOM 958 CG LEU A 60 -17.041 8.726 -10.087 1.00 0.00 C ATOM 959 CD1 LEU A 60 -16.019 7.627 -9.784 1.00 0.00 C ATOM 960 CD2 LEU A 60 -17.229 9.599 -8.844 1.00 0.00 C ATOM 0 H LEU A 60 -14.884 10.417 -12.813 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.371 7.907 -12.500 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.663 10.140 -10.923 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.339 10.451 -11.327 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.958 8.218 -10.386 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -16.390 6.998 -8.975 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.864 7.019 -10.675 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.074 8.081 -9.486 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.547 8.977 -8.007 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.286 10.087 -8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.988 10.356 -9.042 1.00 0.00 H new ATOM 972 N GLU A 61 -18.728 8.721 -13.257 1.00 0.00 N ATOM 973 CA GLU A 61 -19.963 8.961 -14.036 1.00 0.00 C ATOM 974 C GLU A 61 -20.498 10.403 -13.900 1.00 0.00 C ATOM 975 O GLU A 61 -21.183 10.911 -14.790 1.00 0.00 O ATOM 976 CB GLU A 61 -21.067 7.968 -13.627 1.00 0.00 C ATOM 977 CG GLU A 61 -20.667 6.499 -13.815 1.00 0.00 C ATOM 978 CD GLU A 61 -21.886 5.564 -13.718 1.00 0.00 C ATOM 979 OE1 GLU A 61 -22.232 5.115 -12.600 1.00 0.00 O ATOM 980 OE2 GLU A 61 -22.491 5.250 -14.773 1.00 0.00 O ATOM 0 H GLU A 61 -18.852 8.063 -12.487 1.00 0.00 H new ATOM 0 HA GLU A 61 -19.691 8.810 -15.081 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -21.326 8.135 -12.582 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -21.963 8.171 -14.214 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -20.187 6.373 -14.786 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -19.933 6.221 -13.058 1.00 0.00 H new ATOM 987 N ASP A 62 -20.165 11.072 -12.792 1.00 0.00 N ATOM 988 CA ASP A 62 -20.510 12.475 -12.504 1.00 0.00 C ATOM 989 C ASP A 62 -19.566 13.482 -13.193 1.00 0.00 C ATOM 990 O ASP A 62 -19.966 14.616 -13.472 1.00 0.00 O ATOM 991 CB ASP A 62 -20.465 12.666 -10.979 1.00 0.00 C ATOM 992 CG ASP A 62 -20.652 14.128 -10.538 1.00 0.00 C ATOM 993 OD1 ASP A 62 -21.799 14.635 -10.583 1.00 0.00 O ATOM 994 OD2 ASP A 62 -19.652 14.757 -10.118 1.00 0.00 O ATOM 0 H ASP A 62 -19.628 10.639 -12.041 1.00 0.00 H new ATOM 0 HA ASP A 62 -21.505 12.674 -12.902 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.242 12.054 -10.521 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -19.509 12.301 -10.603 1.00 0.00 H new ATOM 999 N GLY A 63 -18.317 13.080 -13.461 1.00 0.00 N ATOM 1000 CA GLY A 63 -17.259 13.952 -13.991 1.00 0.00 C ATOM 1001 C GLY A 63 -16.148 14.274 -12.983 1.00 0.00 C ATOM 1002 O GLY A 63 -15.217 15.010 -13.320 1.00 0.00 O ATOM 0 H GLY A 63 -18.007 12.120 -13.313 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.815 13.476 -14.865 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -17.708 14.885 -14.330 1.00 0.00 H new ATOM 1006 N SER A 64 -16.222 13.744 -11.752 1.00 0.00 N ATOM 1007 CA SER A 64 -15.112 13.797 -10.786 1.00 0.00 C ATOM 1008 C SER A 64 -13.917 12.980 -11.291 1.00 0.00 C ATOM 1009 O SER A 64 -14.085 11.891 -11.845 1.00 0.00 O ATOM 1010 CB SER A 64 -15.553 13.274 -9.411 1.00 0.00 C ATOM 1011 OG SER A 64 -16.442 14.189 -8.787 1.00 0.00 O ATOM 0 H SER A 64 -17.051 13.267 -11.398 1.00 0.00 H new ATOM 0 HA SER A 64 -14.812 14.840 -10.683 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.040 12.306 -9.524 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.679 13.119 -8.778 1.00 0.00 H new ATOM 0 HG SER A 64 -16.713 13.838 -7.913 1.00 0.00 H new ATOM 1017 N LEU A 65 -12.704 13.490 -11.065 1.00 0.00 N ATOM 1018 CA LEU A 65 -11.436 12.879 -11.484 1.00 0.00 C ATOM 1019 C LEU A 65 -10.565 12.581 -10.257 1.00 0.00 C ATOM 1020 O LEU A 65 -10.510 13.367 -9.306 1.00 0.00 O ATOM 1021 CB LEU A 65 -10.708 13.824 -12.466 1.00 0.00 C ATOM 1022 CG LEU A 65 -10.889 13.485 -13.955 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -12.339 13.404 -14.414 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -10.204 14.555 -14.802 1.00 0.00 C ATOM 0 H LEU A 65 -12.571 14.371 -10.568 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.635 11.936 -11.993 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.061 14.841 -12.296 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.643 13.813 -12.234 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.449 12.496 -14.083 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.371 13.161 -15.476 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.857 12.630 -13.848 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.828 14.364 -14.247 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.330 14.318 -15.859 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.651 15.527 -14.592 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.141 14.585 -14.561 1.00 0.00 H new ATOM 1036 N ILE A 66 -9.888 11.435 -10.303 1.00 0.00 N ATOM 1037 CA ILE A 66 -9.086 10.866 -9.208 1.00 0.00 C ATOM 1038 C ILE A 66 -7.778 10.340 -9.792 1.00 0.00 C ATOM 1039 O ILE A 66 -7.789 9.684 -10.832 1.00 0.00 O ATOM 1040 CB ILE A 66 -9.862 9.724 -8.503 1.00 0.00 C ATOM 1041 CG1 ILE A 66 -11.197 10.239 -7.922 1.00 0.00 C ATOM 1042 CG2 ILE A 66 -9.014 9.070 -7.388 1.00 0.00 C ATOM 1043 CD1 ILE A 66 -12.131 9.124 -7.460 1.00 0.00 C ATOM 0 H ILE A 66 -9.879 10.848 -11.137 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.878 11.635 -8.464 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.078 8.966 -9.256 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -10.987 10.898 -7.080 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.705 10.838 -8.677 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.588 8.274 -6.914 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.104 8.654 -7.820 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.752 9.821 -6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.049 9.559 -7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.371 8.477 -8.304 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.641 8.538 -6.682 1.00 0.00 H new ATOM 1055 N ARG A 67 -6.656 10.600 -9.113 1.00 0.00 N ATOM 1056 CA ARG A 67 -5.314 10.232 -9.571 1.00 0.00 C ATOM 1057 C ARG A 67 -4.614 9.380 -8.517 1.00 0.00 C ATOM 1058 O ARG A 67 -4.147 9.892 -7.498 1.00 0.00 O ATOM 1059 CB ARG A 67 -4.535 11.508 -9.891 1.00 0.00 C ATOM 1060 CG ARG A 67 -5.106 12.304 -11.063 1.00 0.00 C ATOM 1061 CD ARG A 67 -4.106 13.401 -11.444 1.00 0.00 C ATOM 1062 NE ARG A 67 -4.472 14.032 -12.718 1.00 0.00 N ATOM 1063 CZ ARG A 67 -3.839 15.009 -13.330 1.00 0.00 C ATOM 1064 NH1 ARG A 67 -2.732 15.530 -12.878 1.00 0.00 N ATOM 1065 NH2 ARG A 67 -4.340 15.460 -14.439 1.00 0.00 N ATOM 0 H ARG A 67 -6.656 11.081 -8.213 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.374 9.630 -10.478 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.519 12.144 -9.006 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.501 11.245 -10.113 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.288 11.647 -11.913 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.065 12.745 -10.789 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.072 14.155 -10.658 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.106 12.975 -11.520 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.308 13.674 -13.179 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.320 15.180 -12.013 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.278 16.287 -13.390 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.200 15.057 -14.811 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.874 16.217 -14.939 1.00 0.00 H new ATOM 1079 N ALA A 68 -4.560 8.076 -8.774 1.00 0.00 N ATOM 1080 CA ALA A 68 -3.930 7.090 -7.899 1.00 0.00 C ATOM 1081 C ALA A 68 -3.275 5.955 -8.697 1.00 0.00 C ATOM 1082 O ALA A 68 -3.534 5.748 -9.887 1.00 0.00 O ATOM 1083 CB ALA A 68 -4.978 6.552 -6.908 1.00 0.00 C ATOM 0 H ALA A 68 -4.963 7.665 -9.616 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.128 7.575 -7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.514 5.815 -6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.370 7.375 -6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.794 6.084 -7.459 1.00 0.00 H new ATOM 1089 N THR A 69 -2.428 5.194 -8.017 1.00 0.00 N ATOM 1090 CA THR A 69 -1.787 3.987 -8.548 1.00 0.00 C ATOM 1091 C THR A 69 -2.747 2.804 -8.531 1.00 0.00 C ATOM 1092 O THR A 69 -3.543 2.657 -7.601 1.00 0.00 O ATOM 1093 CB THR A 69 -0.573 3.627 -7.689 1.00 0.00 C ATOM 1094 OG1 THR A 69 -0.922 3.672 -6.320 1.00 0.00 O ATOM 1095 CG2 THR A 69 0.555 4.620 -7.918 1.00 0.00 C ATOM 0 H THR A 69 -2.157 5.400 -7.055 1.00 0.00 H new ATOM 0 HA THR A 69 -1.486 4.194 -9.575 1.00 0.00 H new ATOM 0 HB THR A 69 -0.248 2.625 -7.968 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.246 2.792 -6.036 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.410 4.348 -7.299 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.847 4.603 -8.968 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.218 5.622 -7.651 1.00 0.00 H new ATOM 1103 N LYS A 70 -2.582 1.890 -9.490 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.376 0.649 -9.605 1.00 0.00 C ATOM 1105 C LYS A 70 -3.224 -0.320 -8.422 1.00 0.00 C ATOM 1106 O LYS A 70 -4.008 -1.258 -8.289 1.00 0.00 O ATOM 1107 CB LYS A 70 -3.005 -0.066 -10.917 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.659 0.588 -12.142 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.243 -0.160 -13.414 1.00 0.00 C ATOM 1110 CE LYS A 70 -4.047 0.332 -14.621 1.00 0.00 C ATOM 1111 NZ LYS A 70 -3.629 -0.370 -15.865 1.00 0.00 N ATOM 0 H LYS A 70 -1.882 1.987 -10.225 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.423 0.953 -9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.922 -0.058 -11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.312 -1.110 -10.858 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.744 0.572 -12.038 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.360 1.634 -12.210 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.178 -0.013 -13.596 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.399 -1.230 -13.279 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.110 0.166 -14.446 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.907 1.406 -14.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.453 -0.494 -16.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.906 0.194 -16.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.235 -1.301 -15.622 1.00 0.00 H new ATOM 1125 N ASP A 71 -2.231 -0.092 -7.567 1.00 0.00 N ATOM 1126 CA ASP A 71 -1.892 -0.908 -6.400 1.00 0.00 C ATOM 1127 C ASP A 71 -2.595 -0.427 -5.121 1.00 0.00 C ATOM 1128 O ASP A 71 -2.634 -1.160 -4.129 1.00 0.00 O ATOM 1129 CB ASP A 71 -0.372 -0.835 -6.196 1.00 0.00 C ATOM 1130 CG ASP A 71 0.402 -1.496 -7.344 1.00 0.00 C ATOM 1131 OD1 ASP A 71 0.412 -2.750 -7.425 1.00 0.00 O ATOM 1132 OD2 ASP A 71 1.014 -0.770 -8.165 1.00 0.00 O ATOM 0 H ASP A 71 -1.607 0.708 -7.673 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.227 -1.928 -6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.069 0.208 -6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.110 -1.322 -5.257 1.00 0.00 H new ATOM 1137 N HIS A 72 -3.145 0.797 -5.118 1.00 0.00 N ATOM 1138 CA HIS A 72 -3.868 1.323 -3.961 1.00 0.00 C ATOM 1139 C HIS A 72 -5.280 0.706 -3.919 1.00 0.00 C ATOM 1140 O HIS A 72 -5.971 0.663 -4.945 1.00 0.00 O ATOM 1141 CB HIS A 72 -3.964 2.850 -4.069 1.00 0.00 C ATOM 1142 CG HIS A 72 -4.307 3.525 -2.759 1.00 0.00 C ATOM 1143 ND1 HIS A 72 -5.155 3.093 -1.765 1.00 0.00 N ATOM 1144 CD2 HIS A 72 -3.706 4.652 -2.275 1.00 0.00 C ATOM 1145 CE1 HIS A 72 -5.021 3.903 -0.704 1.00 0.00 C ATOM 1146 NE2 HIS A 72 -4.152 4.880 -0.972 1.00 0.00 N ATOM 0 H HIS A 72 -3.100 1.439 -5.909 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.337 1.064 -3.045 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.014 3.241 -4.433 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.720 3.107 -4.811 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -5.781 2.290 -1.825 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.000 5.267 -2.813 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.542 3.782 0.234 1.00 0.00 H new ATOM 1154 N LYS A 73 -5.734 0.251 -2.744 1.00 0.00 N ATOM 1155 CA LYS A 73 -7.096 -0.282 -2.552 1.00 0.00 C ATOM 1156 C LYS A 73 -8.096 0.828 -2.213 1.00 0.00 C ATOM 1157 O LYS A 73 -7.712 1.898 -1.745 1.00 0.00 O ATOM 1158 CB LYS A 73 -7.084 -1.391 -1.485 1.00 0.00 C ATOM 1159 CG LYS A 73 -6.188 -2.583 -1.873 1.00 0.00 C ATOM 1160 CD LYS A 73 -5.558 -3.241 -0.638 1.00 0.00 C ATOM 1161 CE LYS A 73 -4.528 -4.285 -1.086 1.00 0.00 C ATOM 1162 NZ LYS A 73 -3.857 -4.924 0.078 1.00 0.00 N ATOM 0 H LYS A 73 -5.168 0.241 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.430 -0.720 -3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.738 -0.975 -0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.102 -1.745 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.778 -3.320 -2.418 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.401 -2.243 -2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.079 -2.486 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.330 -3.713 -0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.021 -5.049 -1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.781 -3.811 -1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.167 -5.625 -0.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.367 -4.198 0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.568 -5.397 0.672 1.00 0.00 H new ATOM 1176 N PHE A 74 -9.386 0.578 -2.408 1.00 0.00 N ATOM 1177 CA PHE A 74 -10.460 1.518 -2.065 1.00 0.00 C ATOM 1178 C PHE A 74 -11.661 0.769 -1.474 1.00 0.00 C ATOM 1179 O PHE A 74 -11.996 -0.327 -1.922 1.00 0.00 O ATOM 1180 CB PHE A 74 -10.868 2.337 -3.300 1.00 0.00 C ATOM 1181 CG PHE A 74 -9.856 3.340 -3.837 1.00 0.00 C ATOM 1182 CD1 PHE A 74 -8.767 2.917 -4.626 1.00 0.00 C ATOM 1183 CD2 PHE A 74 -10.041 4.717 -3.598 1.00 0.00 C ATOM 1184 CE1 PHE A 74 -7.860 3.858 -5.148 1.00 0.00 C ATOM 1185 CE2 PHE A 74 -9.146 5.659 -4.137 1.00 0.00 C ATOM 1186 CZ PHE A 74 -8.050 5.230 -4.905 1.00 0.00 C ATOM 0 H PHE A 74 -9.725 -0.294 -2.814 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.092 2.210 -1.308 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.111 1.640 -4.102 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.784 2.877 -3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.628 1.866 -4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.875 5.051 -2.998 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.017 3.526 -5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.301 6.713 -3.960 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.355 5.952 -5.308 1.00 0.00 H new ATOM 1196 N MET A 75 -12.285 1.349 -0.442 1.00 0.00 N ATOM 1197 CA MET A 75 -13.376 0.732 0.319 1.00 0.00 C ATOM 1198 C MET A 75 -14.690 0.726 -0.479 1.00 0.00 C ATOM 1199 O MET A 75 -15.321 1.773 -0.667 1.00 0.00 O ATOM 1200 CB MET A 75 -13.555 1.459 1.657 1.00 0.00 C ATOM 1201 CG MET A 75 -14.530 0.701 2.564 1.00 0.00 C ATOM 1202 SD MET A 75 -15.042 1.611 4.042 1.00 0.00 S ATOM 1203 CE MET A 75 -13.625 1.309 5.120 1.00 0.00 C ATOM 0 H MET A 75 -12.040 2.280 -0.106 1.00 0.00 H new ATOM 0 HA MET A 75 -13.111 -0.307 0.512 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.590 1.557 2.155 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.926 2.469 1.480 1.00 0.00 H new ATOM 0 HG2 MET A 75 -15.417 0.442 1.986 1.00 0.00 H new ATOM 0 HG3 MET A 75 -14.066 -0.236 2.872 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.941 0.717 5.979 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.857 0.767 4.568 1.00 0.00 H new ATOM 0 HE3 MET A 75 -13.221 2.261 5.465 1.00 0.00 H new ATOM 1213 N THR A 76 -15.123 -0.449 -0.936 1.00 0.00 N ATOM 1214 CA THR A 76 -16.412 -0.610 -1.636 1.00 0.00 C ATOM 1215 C THR A 76 -17.616 -0.365 -0.729 1.00 0.00 C ATOM 1216 O THR A 76 -17.486 -0.240 0.490 1.00 0.00 O ATOM 1217 CB THR A 76 -16.556 -1.975 -2.318 1.00 0.00 C ATOM 1218 OG1 THR A 76 -16.656 -2.999 -1.355 1.00 0.00 O ATOM 1219 CG2 THR A 76 -15.396 -2.241 -3.269 1.00 0.00 C ATOM 0 H THR A 76 -14.597 -1.317 -0.835 1.00 0.00 H new ATOM 0 HA THR A 76 -16.401 0.159 -2.408 1.00 0.00 H new ATOM 0 HB THR A 76 -17.473 -1.963 -2.907 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.749 -3.864 -1.806 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.526 -3.216 -3.738 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.372 -1.469 -4.038 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.459 -2.228 -2.712 1.00 0.00 H new ATOM 1227 N VAL A 77 -18.815 -0.341 -1.319 1.00 0.00 N ATOM 1228 CA VAL A 77 -20.082 -0.182 -0.581 1.00 0.00 C ATOM 1229 C VAL A 77 -20.317 -1.232 0.519 1.00 0.00 C ATOM 1230 O VAL A 77 -21.056 -0.974 1.470 1.00 0.00 O ATOM 1231 CB VAL A 77 -21.297 -0.150 -1.530 1.00 0.00 C ATOM 1232 CG1 VAL A 77 -21.167 1.002 -2.530 1.00 0.00 C ATOM 1233 CG2 VAL A 77 -21.485 -1.461 -2.308 1.00 0.00 C ATOM 0 H VAL A 77 -18.940 -0.431 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 77 -19.980 0.780 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 77 -22.172 -0.008 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -22.033 1.009 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -21.115 1.948 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -20.260 0.870 -3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -22.356 -1.376 -2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -20.599 -1.656 -2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -21.634 -2.282 -1.607 1.00 0.00 H new ATOM 1243 N ASP A 78 -19.672 -2.400 0.408 1.00 0.00 N ATOM 1244 CA ASP A 78 -19.744 -3.504 1.378 1.00 0.00 C ATOM 1245 C ASP A 78 -18.551 -3.527 2.364 1.00 0.00 C ATOM 1246 O ASP A 78 -18.559 -4.289 3.333 1.00 0.00 O ATOM 1247 CB ASP A 78 -19.836 -4.813 0.580 1.00 0.00 C ATOM 1248 CG ASP A 78 -20.178 -6.029 1.457 1.00 0.00 C ATOM 1249 OD1 ASP A 78 -21.257 -6.034 2.099 1.00 0.00 O ATOM 1250 OD2 ASP A 78 -19.395 -7.011 1.469 1.00 0.00 O ATOM 0 H ASP A 78 -19.066 -2.611 -0.385 1.00 0.00 H new ATOM 0 HA ASP A 78 -20.625 -3.369 2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -20.594 -4.707 -0.196 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -18.887 -4.992 0.075 1.00 0.00 H new ATOM 1255 N GLY A 79 -17.530 -2.687 2.136 1.00 0.00 N ATOM 1256 CA GLY A 79 -16.349 -2.541 2.997 1.00 0.00 C ATOM 1257 C GLY A 79 -15.074 -3.221 2.475 1.00 0.00 C ATOM 1258 O GLY A 79 -14.049 -3.183 3.159 1.00 0.00 O ATOM 0 H GLY A 79 -17.504 -2.072 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.146 -1.479 3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.583 -2.949 3.981 1.00 0.00 H new ATOM 1262 N GLN A 80 -15.113 -3.854 1.295 1.00 0.00 N ATOM 1263 CA GLN A 80 -13.973 -4.586 0.722 1.00 0.00 C ATOM 1264 C GLN A 80 -12.821 -3.638 0.363 1.00 0.00 C ATOM 1265 O GLN A 80 -13.054 -2.578 -0.217 1.00 0.00 O ATOM 1266 CB GLN A 80 -14.403 -5.343 -0.547 1.00 0.00 C ATOM 1267 CG GLN A 80 -15.555 -6.341 -0.348 1.00 0.00 C ATOM 1268 CD GLN A 80 -15.109 -7.569 0.439 1.00 0.00 C ATOM 1269 OE1 GLN A 80 -15.268 -7.668 1.649 1.00 0.00 O ATOM 1270 NE2 GLN A 80 -14.505 -8.543 -0.214 1.00 0.00 N ATOM 0 H GLN A 80 -15.945 -3.873 0.705 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.629 -5.291 1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.699 -4.616 -1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -13.541 -5.880 -0.941 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -16.375 -5.850 0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -15.939 -6.651 -1.320 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -14.367 -8.472 -1.222 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -14.176 -9.367 0.289 1.00 0.00 H new ATOM 1279 N MET A 81 -11.578 -4.049 0.635 1.00 0.00 N ATOM 1280 CA MET A 81 -10.350 -3.334 0.266 1.00 0.00 C ATOM 1281 C MET A 81 -9.706 -3.956 -0.984 1.00 0.00 C ATOM 1282 O MET A 81 -8.716 -4.686 -0.910 1.00 0.00 O ATOM 1283 CB MET A 81 -9.392 -3.187 1.469 1.00 0.00 C ATOM 1284 CG MET A 81 -8.961 -4.480 2.188 1.00 0.00 C ATOM 1285 SD MET A 81 -10.179 -5.275 3.278 1.00 0.00 S ATOM 1286 CE MET A 81 -10.223 -4.068 4.631 1.00 0.00 C ATOM 0 H MET A 81 -11.392 -4.918 1.135 1.00 0.00 H new ATOM 0 HA MET A 81 -10.610 -2.313 -0.012 1.00 0.00 H new ATOM 0 HB2 MET A 81 -8.493 -2.676 1.124 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.868 -2.535 2.202 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.664 -5.204 1.430 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.074 -4.257 2.780 1.00 0.00 H new ATOM 0 HE1 MET A 81 -10.769 -4.488 5.476 1.00 0.00 H new ATOM 0 HE2 MET A 81 -9.205 -3.830 4.939 1.00 0.00 H new ATOM 0 HE3 MET A 81 -10.721 -3.160 4.292 1.00 0.00 H new ATOM 1296 N LEU A 82 -10.289 -3.676 -2.154 1.00 0.00 N ATOM 1297 CA LEU A 82 -9.811 -4.170 -3.454 1.00 0.00 C ATOM 1298 C LEU A 82 -9.052 -3.061 -4.205 1.00 0.00 C ATOM 1299 O LEU A 82 -9.413 -1.888 -4.057 1.00 0.00 O ATOM 1300 CB LEU A 82 -10.999 -4.663 -4.307 1.00 0.00 C ATOM 1301 CG LEU A 82 -11.972 -5.621 -3.599 1.00 0.00 C ATOM 1302 CD1 LEU A 82 -13.054 -6.082 -4.576 1.00 0.00 C ATOM 1303 CD2 LEU A 82 -11.293 -6.861 -3.009 1.00 0.00 C ATOM 0 H LEU A 82 -11.121 -3.090 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.131 -5.003 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.560 -3.795 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.605 -5.162 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.399 -5.055 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -13.739 -6.760 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -13.606 -5.216 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.590 -6.599 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.041 -7.490 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.806 -7.423 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.548 -6.553 -2.275 1.00 0.00 H new ATOM 1315 N PRO A 83 -8.025 -3.386 -5.017 1.00 0.00 N ATOM 1316 CA PRO A 83 -7.325 -2.408 -5.848 1.00 0.00 C ATOM 1317 C PRO A 83 -8.263 -1.811 -6.900 1.00 0.00 C ATOM 1318 O PRO A 83 -9.121 -2.502 -7.450 1.00 0.00 O ATOM 1319 CB PRO A 83 -6.151 -3.154 -6.485 1.00 0.00 C ATOM 1320 CG PRO A 83 -6.619 -4.608 -6.496 1.00 0.00 C ATOM 1321 CD PRO A 83 -7.497 -4.721 -5.251 1.00 0.00 C ATOM 0 HA PRO A 83 -6.968 -1.564 -5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.943 -2.791 -7.492 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.235 -3.031 -5.906 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.179 -4.841 -7.402 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.777 -5.299 -6.455 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.303 -5.439 -5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.919 -5.069 -4.395 1.00 0.00 H new ATOM 1329 N ILE A 84 -8.071 -0.532 -7.234 1.00 0.00 N ATOM 1330 CA ILE A 84 -8.876 0.167 -8.252 1.00 0.00 C ATOM 1331 C ILE A 84 -8.861 -0.518 -9.636 1.00 0.00 C ATOM 1332 O ILE A 84 -9.850 -0.481 -10.368 1.00 0.00 O ATOM 1333 CB ILE A 84 -8.454 1.646 -8.303 1.00 0.00 C ATOM 1334 CG1 ILE A 84 -9.408 2.483 -9.186 1.00 0.00 C ATOM 1335 CG2 ILE A 84 -6.988 1.819 -8.734 1.00 0.00 C ATOM 1336 CD1 ILE A 84 -9.946 3.716 -8.458 1.00 0.00 C ATOM 0 H ILE A 84 -7.353 0.053 -6.808 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.922 0.112 -7.951 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.531 2.028 -7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.882 2.798 -10.087 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.243 1.860 -9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.738 2.880 -8.755 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.337 1.307 -8.025 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.848 1.394 -9.728 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.611 4.269 -9.122 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.497 3.403 -7.571 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.114 4.355 -8.162 1.00 0.00 H new ATOM 1348 N ASP A 85 -7.775 -1.228 -9.951 1.00 0.00 N ATOM 1349 CA ASP A 85 -7.643 -2.078 -11.144 1.00 0.00 C ATOM 1350 C ASP A 85 -8.689 -3.210 -11.209 1.00 0.00 C ATOM 1351 O ASP A 85 -9.114 -3.607 -12.296 1.00 0.00 O ATOM 1352 CB ASP A 85 -6.226 -2.668 -11.163 1.00 0.00 C ATOM 1353 CG ASP A 85 -5.968 -3.527 -12.413 1.00 0.00 C ATOM 1354 OD1 ASP A 85 -5.880 -2.961 -13.529 1.00 0.00 O ATOM 1355 OD2 ASP A 85 -5.823 -4.766 -12.276 1.00 0.00 O ATOM 0 H ASP A 85 -6.938 -1.230 -9.369 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.823 -1.453 -12.019 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.497 -1.858 -11.124 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.076 -3.275 -10.270 1.00 0.00 H new ATOM 1360 N GLU A 86 -9.137 -3.706 -10.052 1.00 0.00 N ATOM 1361 CA GLU A 86 -10.182 -4.726 -9.931 1.00 0.00 C ATOM 1362 C GLU A 86 -11.579 -4.085 -9.870 1.00 0.00 C ATOM 1363 O GLU A 86 -12.496 -4.547 -10.548 1.00 0.00 O ATOM 1364 CB GLU A 86 -9.870 -5.599 -8.699 1.00 0.00 C ATOM 1365 CG GLU A 86 -10.834 -6.779 -8.535 1.00 0.00 C ATOM 1366 CD GLU A 86 -10.296 -7.873 -7.589 1.00 0.00 C ATOM 1367 OE1 GLU A 86 -9.690 -7.559 -6.537 1.00 0.00 O ATOM 1368 OE2 GLU A 86 -10.494 -9.078 -7.889 1.00 0.00 O ATOM 0 H GLU A 86 -8.773 -3.401 -9.149 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.191 -5.365 -10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.852 -5.979 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.909 -4.979 -7.803 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.786 -6.412 -8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.032 -7.218 -9.513 1.00 0.00 H new ATOM 1375 N ILE A 87 -11.737 -2.974 -9.137 1.00 0.00 N ATOM 1376 CA ILE A 87 -13.004 -2.227 -9.013 1.00 0.00 C ATOM 1377 C ILE A 87 -13.523 -1.754 -10.379 1.00 0.00 C ATOM 1378 O ILE A 87 -14.718 -1.863 -10.661 1.00 0.00 O ATOM 1379 CB ILE A 87 -12.824 -1.027 -8.050 1.00 0.00 C ATOM 1380 CG1 ILE A 87 -12.333 -1.510 -6.667 1.00 0.00 C ATOM 1381 CG2 ILE A 87 -14.154 -0.264 -7.879 1.00 0.00 C ATOM 1382 CD1 ILE A 87 -11.823 -0.396 -5.749 1.00 0.00 C ATOM 0 H ILE A 87 -10.975 -2.558 -8.602 1.00 0.00 H new ATOM 0 HA ILE A 87 -13.752 -2.904 -8.600 1.00 0.00 H new ATOM 0 HB ILE A 87 -12.080 -0.359 -8.483 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -13.150 -2.030 -6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.534 -2.237 -6.813 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -14.007 0.575 -7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.487 0.108 -8.848 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -14.909 -0.935 -7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.499 -0.825 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.983 0.111 -6.224 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.624 0.321 -5.568 1.00 0.00 H new ATOM 1394 N PHE A 88 -12.626 -1.274 -11.247 1.00 0.00 N ATOM 1395 CA PHE A 88 -12.941 -0.874 -12.623 1.00 0.00 C ATOM 1396 C PHE A 88 -13.521 -2.026 -13.473 1.00 0.00 C ATOM 1397 O PHE A 88 -14.389 -1.794 -14.316 1.00 0.00 O ATOM 1398 CB PHE A 88 -11.667 -0.296 -13.259 1.00 0.00 C ATOM 1399 CG PHE A 88 -11.781 0.079 -14.728 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -12.653 1.107 -15.137 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -11.009 -0.598 -15.693 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -12.744 1.467 -16.493 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -11.097 -0.237 -17.050 1.00 0.00 C ATOM 1404 CZ PHE A 88 -11.961 0.798 -17.451 1.00 0.00 C ATOM 0 H PHE A 88 -11.642 -1.150 -11.008 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.727 -0.119 -12.592 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.372 0.590 -12.698 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.864 -1.025 -13.149 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -13.256 1.622 -14.404 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.348 -1.396 -15.390 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.415 2.257 -16.799 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.500 -0.756 -17.785 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.023 1.078 -18.492 1.00 0.00 H new ATOM 1414 N GLU A 89 -13.090 -3.270 -13.231 1.00 0.00 N ATOM 1415 CA GLU A 89 -13.605 -4.460 -13.924 1.00 0.00 C ATOM 1416 C GLU A 89 -14.963 -4.941 -13.391 1.00 0.00 C ATOM 1417 O GLU A 89 -15.865 -5.208 -14.191 1.00 0.00 O ATOM 1418 CB GLU A 89 -12.606 -5.619 -13.818 1.00 0.00 C ATOM 1419 CG GLU A 89 -11.451 -5.502 -14.816 1.00 0.00 C ATOM 1420 CD GLU A 89 -10.683 -6.833 -14.928 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -10.528 -7.541 -13.902 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -10.253 -7.194 -16.051 1.00 0.00 O ATOM 0 H GLU A 89 -12.368 -3.482 -12.543 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.742 -4.157 -14.962 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.203 -5.653 -12.806 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.130 -6.560 -13.985 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.838 -5.218 -15.794 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.771 -4.711 -14.500 1.00 0.00 H new ATOM 1429 N ARG A 90 -15.138 -5.049 -12.062 1.00 0.00 N ATOM 1430 CA ARG A 90 -16.436 -5.386 -11.453 1.00 0.00 C ATOM 1431 C ARG A 90 -17.485 -4.272 -11.575 1.00 0.00 C ATOM 1432 O ARG A 90 -18.668 -4.534 -11.349 1.00 0.00 O ATOM 1433 CB ARG A 90 -16.246 -5.786 -9.983 1.00 0.00 C ATOM 1434 CG ARG A 90 -15.583 -7.159 -9.801 1.00 0.00 C ATOM 1435 CD ARG A 90 -14.056 -7.153 -9.648 1.00 0.00 C ATOM 1436 NE ARG A 90 -13.329 -7.534 -10.878 1.00 0.00 N ATOM 1437 CZ ARG A 90 -13.137 -8.768 -11.323 1.00 0.00 C ATOM 1438 NH1 ARG A 90 -13.717 -9.800 -10.773 1.00 0.00 N ATOM 1439 NH2 ARG A 90 -12.349 -9.013 -12.332 1.00 0.00 N ATOM 0 H ARG A 90 -14.389 -4.906 -11.384 1.00 0.00 H new ATOM 0 HA ARG A 90 -16.828 -6.231 -12.019 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -15.639 -5.030 -9.485 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -17.217 -5.792 -9.488 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -16.015 -7.635 -8.921 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.840 -7.781 -10.658 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.735 -6.157 -9.342 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.778 -7.838 -8.847 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.938 -6.776 -11.437 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.340 -9.670 -9.976 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.547 -10.736 -11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.864 -8.246 -12.798 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.218 -9.971 -12.656 1.00 0.00 H new ATOM 1453 N GLU A 91 -17.074 -3.054 -11.939 1.00 0.00 N ATOM 1454 CA GLU A 91 -17.914 -1.851 -12.009 1.00 0.00 C ATOM 1455 C GLU A 91 -18.616 -1.551 -10.669 1.00 0.00 C ATOM 1456 O GLU A 91 -19.770 -1.113 -10.633 1.00 0.00 O ATOM 1457 CB GLU A 91 -18.878 -1.917 -13.212 1.00 0.00 C ATOM 1458 CG GLU A 91 -18.192 -2.309 -14.532 1.00 0.00 C ATOM 1459 CD GLU A 91 -19.095 -2.076 -15.759 1.00 0.00 C ATOM 1460 OE1 GLU A 91 -20.330 -2.282 -15.679 1.00 0.00 O ATOM 1461 OE2 GLU A 91 -18.580 -1.643 -16.817 1.00 0.00 O ATOM 0 H GLU A 91 -16.107 -2.870 -12.204 1.00 0.00 H new ATOM 0 HA GLU A 91 -17.262 -0.995 -12.185 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.667 -2.637 -12.995 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.357 -0.946 -13.336 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.274 -1.732 -14.646 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.905 -3.360 -14.490 1.00 0.00 H new ATOM 1468 N LEU A 92 -17.931 -1.831 -9.551 1.00 0.00 N ATOM 1469 CA LEU A 92 -18.445 -1.562 -8.206 1.00 0.00 C ATOM 1470 C LEU A 92 -18.276 -0.085 -7.828 1.00 0.00 C ATOM 1471 O LEU A 92 -17.308 0.577 -8.209 1.00 0.00 O ATOM 1472 CB LEU A 92 -17.738 -2.468 -7.180 1.00 0.00 C ATOM 1473 CG LEU A 92 -18.228 -3.925 -7.235 1.00 0.00 C ATOM 1474 CD1 LEU A 92 -17.332 -4.802 -6.361 1.00 0.00 C ATOM 1475 CD2 LEU A 92 -19.690 -4.070 -6.780 1.00 0.00 C ATOM 0 H LEU A 92 -17.002 -2.252 -9.557 1.00 0.00 H new ATOM 0 HA LEU A 92 -19.512 -1.784 -8.199 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -16.663 -2.444 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -17.902 -2.072 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 92 -18.175 -4.246 -8.275 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -17.681 -5.834 -6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -16.306 -4.752 -6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -17.369 -4.447 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -19.987 -5.117 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -19.787 -3.721 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -20.333 -3.474 -7.428 1.00 0.00 H new ATOM 1487 N ASP A 93 -19.222 0.419 -7.039 1.00 0.00 N ATOM 1488 CA ASP A 93 -19.138 1.744 -6.428 1.00 0.00 C ATOM 1489 C ASP A 93 -18.288 1.702 -5.139 1.00 0.00 C ATOM 1490 O ASP A 93 -17.944 0.631 -4.621 1.00 0.00 O ATOM 1491 CB ASP A 93 -20.546 2.288 -6.126 1.00 0.00 C ATOM 1492 CG ASP A 93 -21.617 1.888 -7.159 1.00 0.00 C ATOM 1493 OD1 ASP A 93 -21.631 2.444 -8.280 1.00 0.00 O ATOM 1494 OD2 ASP A 93 -22.462 1.018 -6.833 1.00 0.00 O ATOM 0 H ASP A 93 -20.077 -0.085 -6.803 1.00 0.00 H new ATOM 0 HA ASP A 93 -18.651 2.415 -7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -20.856 1.934 -5.143 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -20.498 3.376 -6.072 1.00 0.00 H new ATOM 1499 N LEU A 94 -18.003 2.876 -4.572 1.00 0.00 N ATOM 1500 CA LEU A 94 -17.258 3.030 -3.319 1.00 0.00 C ATOM 1501 C LEU A 94 -18.134 3.665 -2.228 1.00 0.00 C ATOM 1502 O LEU A 94 -19.138 4.320 -2.522 1.00 0.00 O ATOM 1503 CB LEU A 94 -15.969 3.826 -3.601 1.00 0.00 C ATOM 1504 CG LEU A 94 -14.947 3.083 -4.491 1.00 0.00 C ATOM 1505 CD1 LEU A 94 -13.756 3.991 -4.764 1.00 0.00 C ATOM 1506 CD2 LEU A 94 -14.398 1.813 -3.852 1.00 0.00 C ATOM 0 H LEU A 94 -18.290 3.766 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 94 -16.971 2.053 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -16.235 4.768 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.494 4.075 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 94 -15.483 2.811 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -13.035 3.467 -5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.095 4.892 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.284 4.265 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -13.687 1.342 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -13.896 2.064 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -15.218 1.124 -3.650 1.00 0.00 H new ATOM 1518 N MET A 95 -17.763 3.442 -0.962 1.00 0.00 N ATOM 1519 CA MET A 95 -18.456 4.014 0.204 1.00 0.00 C ATOM 1520 C MET A 95 -18.444 5.558 0.178 1.00 0.00 C ATOM 1521 O MET A 95 -17.607 6.166 -0.496 1.00 0.00 O ATOM 1522 CB MET A 95 -17.849 3.427 1.495 1.00 0.00 C ATOM 1523 CG MET A 95 -18.747 3.671 2.720 1.00 0.00 C ATOM 1524 SD MET A 95 -18.332 2.766 4.239 1.00 0.00 S ATOM 1525 CE MET A 95 -18.625 1.053 3.711 1.00 0.00 C ATOM 0 H MET A 95 -16.967 2.855 -0.713 1.00 0.00 H new ATOM 0 HA MET A 95 -19.509 3.735 0.170 1.00 0.00 H new ATOM 0 HB2 MET A 95 -17.694 2.356 1.368 1.00 0.00 H new ATOM 0 HB3 MET A 95 -16.870 3.872 1.670 1.00 0.00 H new ATOM 0 HG2 MET A 95 -18.730 4.737 2.946 1.00 0.00 H new ATOM 0 HG3 MET A 95 -19.771 3.420 2.445 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.657 0.403 4.586 1.00 0.00 H new ATOM 0 HE2 MET A 95 -19.575 0.993 3.180 1.00 0.00 H new ATOM 0 HE3 MET A 95 -17.819 0.733 3.050 1.00 0.00 H new ATOM 1535 N ARG A 96 -19.382 6.201 0.893 1.00 0.00 N ATOM 1536 CA ARG A 96 -19.607 7.665 0.921 1.00 0.00 C ATOM 1537 C ARG A 96 -19.615 8.215 2.357 1.00 0.00 C ATOM 1538 O ARG A 96 -19.801 7.466 3.317 1.00 0.00 O ATOM 1539 CB ARG A 96 -20.948 8.008 0.227 1.00 0.00 C ATOM 1540 CG ARG A 96 -21.154 7.472 -1.202 1.00 0.00 C ATOM 1541 CD ARG A 96 -20.389 8.215 -2.304 1.00 0.00 C ATOM 1542 NE ARG A 96 -18.974 7.822 -2.331 1.00 0.00 N ATOM 1543 CZ ARG A 96 -18.140 7.864 -3.346 1.00 0.00 C ATOM 1544 NH1 ARG A 96 -18.453 8.381 -4.500 1.00 0.00 N ATOM 1545 NH2 ARG A 96 -16.956 7.354 -3.193 1.00 0.00 N ATOM 0 H ARG A 96 -20.034 5.698 1.494 1.00 0.00 H new ATOM 0 HA ARG A 96 -18.782 8.134 0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -21.758 7.630 0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -21.047 9.093 0.199 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -20.859 6.423 -1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -22.218 7.509 -1.435 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -20.845 8.005 -3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -20.467 9.290 -2.142 1.00 0.00 H new ATOM 0 HE ARG A 96 -18.591 7.473 -1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -19.381 8.777 -4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -17.770 8.390 -5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.693 6.934 -2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.289 7.373 -3.964 1.00 0.00 H new ATOM 1559 N VAL A 97 -19.462 9.539 2.486 1.00 0.00 N ATOM 1560 CA VAL A 97 -19.399 10.267 3.778 1.00 0.00 C ATOM 1561 C VAL A 97 -20.316 11.500 3.848 1.00 0.00 C ATOM 1562 O VAL A 97 -20.796 11.854 4.923 1.00 0.00 O ATOM 1563 CB VAL A 97 -17.927 10.630 4.071 1.00 0.00 C ATOM 1564 CG1 VAL A 97 -17.448 11.890 3.343 1.00 0.00 C ATOM 1565 CG2 VAL A 97 -17.640 10.792 5.561 1.00 0.00 C ATOM 0 H VAL A 97 -19.376 10.157 1.679 1.00 0.00 H new ATOM 0 HA VAL A 97 -19.782 9.602 4.552 1.00 0.00 H new ATOM 0 HB VAL A 97 -17.369 9.776 3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -16.406 12.083 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -17.538 11.745 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -18.059 12.740 3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -16.590 11.047 5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -18.265 11.587 5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -17.860 9.858 6.078 1.00 0.00 H new ATOM 1575 N ASP A 98 -20.628 12.109 2.696 1.00 0.00 N ATOM 1576 CA ASP A 98 -21.459 13.322 2.564 1.00 0.00 C ATOM 1577 C ASP A 98 -22.868 13.010 2.009 1.00 0.00 C ATOM 1578 O ASP A 98 -23.595 13.909 1.579 1.00 0.00 O ATOM 1579 CB ASP A 98 -20.707 14.350 1.694 1.00 0.00 C ATOM 1580 CG ASP A 98 -19.512 15.004 2.410 1.00 0.00 C ATOM 1581 OD1 ASP A 98 -19.639 15.391 3.599 1.00 0.00 O ATOM 1582 OD2 ASP A 98 -18.456 15.192 1.760 1.00 0.00 O ATOM 0 H ASP A 98 -20.299 11.761 1.796 1.00 0.00 H new ATOM 0 HA ASP A 98 -21.624 13.746 3.554 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -20.352 13.857 0.789 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -21.403 15.128 1.382 1.00 0.00 H new ATOM 1587 N ASN A 99 -23.261 11.725 2.022 1.00 0.00 N ATOM 1588 CA ASN A 99 -24.539 11.205 1.473 1.00 0.00 C ATOM 1589 C ASN A 99 -24.722 11.546 -0.015 1.00 0.00 C ATOM 1590 O ASN A 99 -25.820 11.782 -0.530 1.00 0.00 O ATOM 1591 CB ASN A 99 -25.715 11.543 2.412 1.00 0.00 C ATOM 1592 CG ASN A 99 -25.608 10.674 3.647 1.00 0.00 C ATOM 1593 OD1 ASN A 99 -24.595 10.907 4.447 1.00 0.00 O flip ATOM 1594 ND2 ASN A 99 -26.335 9.704 3.831 1.00 0.00 N flip ATOM 0 H ASN A 99 -22.683 10.989 2.427 1.00 0.00 H new ATOM 0 HA ASN A 99 -24.510 10.115 1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -25.689 12.597 2.687 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -26.665 11.369 1.907 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -27.121 9.529 3.205 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -26.154 9.072 4.611 1.00 0.00 H new ATOM 1601 N LEU A 100 -23.573 11.544 -0.687 1.00 0.00 N ATOM 1602 CA LEU A 100 -23.419 11.644 -2.142 1.00 0.00 C ATOM 1603 C LEU A 100 -23.888 10.350 -2.849 1.00 0.00 C ATOM 1604 O LEU A 100 -23.936 9.288 -2.220 1.00 0.00 O ATOM 1605 CB LEU A 100 -21.937 11.942 -2.446 1.00 0.00 C ATOM 1606 CG LEU A 100 -21.540 13.410 -2.208 1.00 0.00 C ATOM 1607 CD1 LEU A 100 -20.018 13.537 -2.185 1.00 0.00 C ATOM 1608 CD2 LEU A 100 -22.063 14.330 -3.315 1.00 0.00 C ATOM 0 H LEU A 100 -22.675 11.469 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 100 -24.045 12.450 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -21.312 11.300 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -21.729 11.682 -3.484 1.00 0.00 H new ATOM 0 HG LEU A 100 -21.978 13.708 -1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -19.742 14.578 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -19.613 12.920 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -19.611 13.204 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -21.761 15.357 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -21.650 14.016 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -23.151 14.273 -3.352 1.00 0.00 H new ATOM 1620 N PRO A 101 -24.208 10.405 -4.156 1.00 0.00 N ATOM 1621 CA PRO A 101 -24.598 9.230 -4.932 1.00 0.00 C ATOM 1622 C PRO A 101 -23.415 8.263 -5.118 1.00 0.00 C ATOM 1623 O PRO A 101 -22.301 8.673 -5.455 1.00 0.00 O ATOM 1624 CB PRO A 101 -25.128 9.782 -6.261 1.00 0.00 C ATOM 1625 CG PRO A 101 -24.414 11.124 -6.421 1.00 0.00 C ATOM 1626 CD PRO A 101 -24.223 11.602 -4.982 1.00 0.00 C ATOM 0 HA PRO A 101 -25.361 8.637 -4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -24.903 9.110 -7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -26.211 9.907 -6.237 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -23.460 11.012 -6.936 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -25.009 11.828 -7.002 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -23.292 12.159 -4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -25.030 12.271 -4.684 1.00 0.00 H new ATOM 1634 N ASN A 102 -23.655 6.966 -4.907 1.00 0.00 N ATOM 1635 CA ASN A 102 -22.692 5.898 -5.197 1.00 0.00 C ATOM 1636 C ASN A 102 -22.568 5.703 -6.722 1.00 0.00 C ATOM 1637 O ASN A 102 -23.570 5.425 -7.387 1.00 0.00 O ATOM 1638 CB ASN A 102 -23.163 4.591 -4.532 1.00 0.00 C ATOM 1639 CG ASN A 102 -23.251 4.671 -3.020 1.00 0.00 C ATOM 1640 OD1 ASN A 102 -24.298 4.942 -2.448 1.00 0.00 O ATOM 1641 ND2 ASN A 102 -22.169 4.424 -2.316 1.00 0.00 N ATOM 0 H ASN A 102 -24.536 6.623 -4.525 1.00 0.00 H new ATOM 0 HA ASN A 102 -21.715 6.172 -4.799 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -24.142 4.324 -4.930 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -22.478 3.788 -4.805 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -22.204 4.459 -1.297 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -21.294 4.198 -2.788 1.00 0.00 H new ATOM 1648 N ILE A 103 -21.349 5.827 -7.263 1.00 0.00 N ATOM 1649 CA ILE A 103 -21.052 5.649 -8.697 1.00 0.00 C ATOM 1650 C ILE A 103 -19.655 5.044 -8.912 1.00 0.00 C ATOM 1651 O ILE A 103 -18.702 5.365 -8.194 1.00 0.00 O ATOM 1652 CB ILE A 103 -21.215 6.967 -9.500 1.00 0.00 C ATOM 1653 CG1 ILE A 103 -20.589 8.184 -8.789 1.00 0.00 C ATOM 1654 CG2 ILE A 103 -22.695 7.236 -9.823 1.00 0.00 C ATOM 1655 CD1 ILE A 103 -20.593 9.464 -9.630 1.00 0.00 C ATOM 0 H ILE A 103 -20.524 6.058 -6.709 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.789 4.944 -9.082 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.668 6.828 -10.432 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -21.131 8.369 -7.861 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -19.562 7.944 -8.516 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -22.781 8.165 -10.386 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -23.093 6.413 -10.417 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -23.260 7.320 -8.895 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -20.137 10.274 -9.062 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -20.026 9.299 -10.546 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -21.619 9.731 -9.882 1.00 0.00 H new ATOM 1667 N LYS A 104 -19.547 4.159 -9.907 1.00 0.00 N ATOM 1668 CA LYS A 104 -18.321 3.452 -10.315 1.00 0.00 C ATOM 1669 C LYS A 104 -17.415 4.297 -11.224 1.00 0.00 C ATOM 1670 O LYS A 104 -17.803 5.366 -11.701 1.00 0.00 O ATOM 1671 CB LYS A 104 -18.709 2.078 -10.919 1.00 0.00 C ATOM 1672 CG LYS A 104 -19.660 2.068 -12.135 1.00 0.00 C ATOM 1673 CD LYS A 104 -18.954 2.247 -13.488 1.00 0.00 C ATOM 1674 CE LYS A 104 -19.944 2.382 -14.659 1.00 0.00 C ATOM 1675 NZ LYS A 104 -20.632 1.106 -15.006 1.00 0.00 N ATOM 0 H LYS A 104 -20.350 3.901 -10.481 1.00 0.00 H new ATOM 0 HA LYS A 104 -17.704 3.272 -9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -17.790 1.568 -11.208 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -19.169 1.483 -10.130 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -20.208 1.126 -12.146 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.395 2.863 -12.014 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.321 3.133 -13.449 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -18.299 1.395 -13.667 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -20.693 3.132 -14.406 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -19.410 2.748 -15.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -21.422 1.302 -15.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -19.958 0.462 -15.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -20.997 0.662 -14.140 1.00 0.00 H new ATOM 1689 N ILE A 105 -16.205 3.798 -11.490 1.00 0.00 N ATOM 1690 CA ILE A 105 -15.261 4.384 -12.458 1.00 0.00 C ATOM 1691 C ILE A 105 -15.826 4.235 -13.880 1.00 0.00 C ATOM 1692 O ILE A 105 -15.910 3.124 -14.409 1.00 0.00 O ATOM 1693 CB ILE A 105 -13.859 3.737 -12.338 1.00 0.00 C ATOM 1694 CG1 ILE A 105 -13.276 3.823 -10.905 1.00 0.00 C ATOM 1695 CG2 ILE A 105 -12.895 4.415 -13.326 1.00 0.00 C ATOM 1696 CD1 ILE A 105 -13.441 2.512 -10.122 1.00 0.00 C ATOM 0 H ILE A 105 -15.843 2.961 -11.033 1.00 0.00 H new ATOM 0 HA ILE A 105 -15.141 5.445 -12.236 1.00 0.00 H new ATOM 0 HB ILE A 105 -13.972 2.679 -12.575 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.218 4.078 -10.962 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -13.769 4.630 -10.364 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.908 3.960 -13.242 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.267 4.288 -14.343 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.825 5.478 -13.095 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -13.016 2.628 -9.125 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -14.500 2.269 -10.039 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -12.924 1.708 -10.646 1.00 0.00 H new ATOM 1708 N ALA A 106 -16.246 5.346 -14.488 1.00 0.00 N ATOM 1709 CA ALA A 106 -16.819 5.386 -15.833 1.00 0.00 C ATOM 1710 C ALA A 106 -15.773 5.069 -16.920 1.00 0.00 C ATOM 1711 O ALA A 106 -16.031 4.265 -17.819 1.00 0.00 O ATOM 1712 CB ALA A 106 -17.420 6.782 -16.050 1.00 0.00 C ATOM 0 H ALA A 106 -16.196 6.265 -14.047 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.589 4.619 -15.916 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -17.855 6.840 -17.048 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -18.195 6.964 -15.305 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -16.637 7.534 -15.952 1.00 0.00 H new ATOM 1718 N THR A 107 -14.590 5.686 -16.815 1.00 0.00 N ATOM 1719 CA THR A 107 -13.444 5.532 -17.738 1.00 0.00 C ATOM 1720 C THR A 107 -12.113 5.793 -17.021 1.00 0.00 C ATOM 1721 O THR A 107 -12.079 6.317 -15.905 1.00 0.00 O ATOM 1722 CB THR A 107 -13.536 6.478 -18.961 1.00 0.00 C ATOM 1723 OG1 THR A 107 -13.933 7.783 -18.600 1.00 0.00 O ATOM 1724 CG2 THR A 107 -14.506 5.993 -20.038 1.00 0.00 C ATOM 0 H THR A 107 -14.390 6.335 -16.054 1.00 0.00 H new ATOM 0 HA THR A 107 -13.483 4.501 -18.089 1.00 0.00 H new ATOM 0 HB THR A 107 -12.523 6.482 -19.364 1.00 0.00 H new ATOM 0 HG1 THR A 107 -13.976 8.345 -19.401 1.00 0.00 H new ATOM 0 HG21 THR A 107 -14.519 6.705 -20.863 1.00 0.00 H new ATOM 0 HG22 THR A 107 -14.185 5.018 -20.404 1.00 0.00 H new ATOM 0 HG23 THR A 107 -15.507 5.910 -19.615 1.00 0.00 H new ATOM 1732 N ARG A 108 -10.997 5.447 -17.674 1.00 0.00 N ATOM 1733 CA ARG A 108 -9.627 5.589 -17.153 1.00 0.00 C ATOM 1734 C ARG A 108 -8.687 6.127 -18.240 1.00 0.00 C ATOM 1735 O ARG A 108 -8.840 5.773 -19.414 1.00 0.00 O ATOM 1736 CB ARG A 108 -9.188 4.206 -16.640 1.00 0.00 C ATOM 1737 CG ARG A 108 -7.792 4.201 -15.993 1.00 0.00 C ATOM 1738 CD ARG A 108 -7.410 2.800 -15.506 1.00 0.00 C ATOM 1739 NE ARG A 108 -7.218 1.857 -16.627 1.00 0.00 N ATOM 1740 CZ ARG A 108 -7.260 0.537 -16.578 1.00 0.00 C ATOM 1741 NH1 ARG A 108 -7.481 -0.113 -15.471 1.00 0.00 N ATOM 1742 NH2 ARG A 108 -7.048 -0.165 -17.653 1.00 0.00 N ATOM 0 H ARG A 108 -11.021 5.047 -18.612 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.591 6.311 -16.337 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.917 3.850 -15.912 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -9.196 3.501 -17.471 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.053 4.552 -16.714 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.775 4.897 -15.154 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.493 2.858 -14.920 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.189 2.422 -14.844 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.032 2.271 -17.541 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.629 0.398 -14.601 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.506 -1.133 -15.475 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.849 0.303 -18.537 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.081 -1.184 -17.612 1.00 0.00 H new ATOM 1756 N LYS A 109 -7.689 6.930 -17.851 1.00 0.00 N ATOM 1757 CA LYS A 109 -6.634 7.445 -18.742 1.00 0.00 C ATOM 1758 C LYS A 109 -5.282 7.411 -18.025 1.00 0.00 C ATOM 1759 O LYS A 109 -5.129 8.026 -16.972 1.00 0.00 O ATOM 1760 CB LYS A 109 -7.023 8.875 -19.177 1.00 0.00 C ATOM 1761 CG LYS A 109 -6.181 9.431 -20.341 1.00 0.00 C ATOM 1762 CD LYS A 109 -6.461 8.777 -21.707 1.00 0.00 C ATOM 1763 CE LYS A 109 -7.893 9.052 -22.191 1.00 0.00 C ATOM 1764 NZ LYS A 109 -8.146 8.455 -23.531 1.00 0.00 N ATOM 0 H LYS A 109 -7.587 7.249 -16.887 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.539 6.822 -19.631 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.074 8.881 -19.468 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.925 9.543 -18.321 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.362 10.503 -20.423 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -5.125 9.303 -20.102 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.750 9.154 -22.443 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.303 7.701 -21.634 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -8.604 8.646 -21.472 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.062 10.128 -22.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -9.122 8.661 -23.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -7.484 8.861 -24.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -8.009 7.425 -23.484 1.00 0.00 H new ATOM 1778 N TYR A 110 -4.304 6.682 -18.565 1.00 0.00 N ATOM 1779 CA TYR A 110 -2.938 6.687 -18.025 1.00 0.00 C ATOM 1780 C TYR A 110 -2.316 8.083 -18.163 1.00 0.00 C ATOM 1781 O TYR A 110 -2.246 8.626 -19.269 1.00 0.00 O ATOM 1782 CB TYR A 110 -2.067 5.643 -18.738 1.00 0.00 C ATOM 1783 CG TYR A 110 -0.637 5.540 -18.218 1.00 0.00 C ATOM 1784 CD1 TYR A 110 -0.364 5.546 -16.831 1.00 0.00 C ATOM 1785 CD2 TYR A 110 0.433 5.449 -19.130 1.00 0.00 C ATOM 1786 CE1 TYR A 110 0.962 5.492 -16.365 1.00 0.00 C ATOM 1787 CE2 TYR A 110 1.762 5.379 -18.666 1.00 0.00 C ATOM 1788 CZ TYR A 110 2.030 5.402 -17.281 1.00 0.00 C ATOM 1789 OH TYR A 110 3.316 5.361 -16.836 1.00 0.00 O ATOM 0 H TYR A 110 -4.430 6.079 -19.378 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.987 6.427 -16.967 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.544 4.667 -18.644 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.036 5.882 -19.801 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.179 5.592 -16.124 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.234 5.433 -20.191 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.162 5.520 -15.304 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.576 5.308 -19.372 1.00 0.00 H new ATOM 0 HH TYR A 110 3.925 5.298 -17.601 1.00 0.00 H new ATOM 1799 N LEU A 111 -1.877 8.670 -17.046 1.00 0.00 N ATOM 1800 CA LEU A 111 -1.271 10.002 -17.047 1.00 0.00 C ATOM 1801 C LEU A 111 0.245 9.933 -17.235 1.00 0.00 C ATOM 1802 O LEU A 111 0.818 10.734 -17.978 1.00 0.00 O ATOM 1803 CB LEU A 111 -1.569 10.679 -15.707 1.00 0.00 C ATOM 1804 CG LEU A 111 -3.056 10.940 -15.462 1.00 0.00 C ATOM 1805 CD1 LEU A 111 -3.254 11.202 -13.976 1.00 0.00 C ATOM 1806 CD2 LEU A 111 -3.550 12.131 -16.285 1.00 0.00 C ATOM 0 H LEU A 111 -1.931 8.239 -16.123 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.693 10.568 -17.878 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.182 10.055 -14.902 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.032 11.626 -15.662 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.635 10.070 -15.772 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.309 11.391 -13.777 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -2.928 10.332 -13.406 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.667 12.071 -13.678 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.610 12.293 -16.091 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.990 13.023 -16.006 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.403 11.927 -17.345 1.00 0.00 H new ATOM 1818 N GLY A 112 0.885 8.988 -16.541 1.00 0.00 N ATOM 1819 CA GLY A 112 2.336 8.842 -16.514 1.00 0.00 C ATOM 1820 C GLY A 112 2.869 8.446 -15.137 1.00 0.00 C ATOM 1821 O GLY A 112 2.366 7.532 -14.483 1.00 0.00 O ATOM 0 H GLY A 112 0.398 8.294 -15.974 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.634 8.089 -17.244 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.796 9.782 -16.820 1.00 0.00 H new ATOM 1825 N LYS A 113 3.899 9.164 -14.696 1.00 0.00 N ATOM 1826 CA LYS A 113 4.748 8.828 -13.539 1.00 0.00 C ATOM 1827 C LYS A 113 4.945 10.005 -12.575 1.00 0.00 C ATOM 1828 O LYS A 113 5.989 10.657 -12.521 1.00 0.00 O ATOM 1829 CB LYS A 113 6.072 8.278 -14.067 1.00 0.00 C ATOM 1830 CG LYS A 113 6.792 7.468 -12.978 1.00 0.00 C ATOM 1831 CD LYS A 113 8.241 7.119 -13.342 1.00 0.00 C ATOM 1832 CE LYS A 113 9.130 8.373 -13.427 1.00 0.00 C ATOM 1833 NZ LYS A 113 10.561 8.017 -13.625 1.00 0.00 N ATOM 0 H LYS A 113 4.183 10.033 -15.149 1.00 0.00 H new ATOM 0 HA LYS A 113 4.247 8.069 -12.939 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.889 7.647 -14.937 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.708 9.099 -14.397 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.785 8.036 -12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 113 6.239 6.547 -12.794 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.648 6.436 -12.597 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.259 6.596 -14.298 1.00 0.00 H new ATOM 0 HE2 LYS A 113 8.794 9.003 -14.251 1.00 0.00 H new ATOM 0 HE3 LYS A 113 9.023 8.958 -12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 11.131 8.885 -13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.888 7.436 -12.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.666 7.480 -14.509 1.00 0.00 H new ATOM 1847 N GLN A 114 3.876 10.305 -11.858 1.00 0.00 N ATOM 1848 CA GLN A 114 3.718 11.485 -11.010 1.00 0.00 C ATOM 1849 C GLN A 114 4.093 11.184 -9.559 1.00 0.00 C ATOM 1850 O GLN A 114 4.087 10.035 -9.109 1.00 0.00 O ATOM 1851 CB GLN A 114 2.272 11.991 -11.088 1.00 0.00 C ATOM 1852 CG GLN A 114 1.856 11.943 -12.556 1.00 0.00 C ATOM 1853 CD GLN A 114 0.636 12.728 -12.921 1.00 0.00 C ATOM 1854 OE1 GLN A 114 -0.218 13.117 -12.133 1.00 0.00 O ATOM 1855 NE2 GLN A 114 0.539 12.941 -14.202 1.00 0.00 N ATOM 0 H GLN A 114 3.051 9.706 -11.848 1.00 0.00 H new ATOM 0 HA GLN A 114 4.394 12.258 -11.375 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.614 11.370 -10.481 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.198 13.007 -10.700 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.689 12.303 -13.160 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.689 10.902 -12.831 1.00 0.00 H new ATOM 0 HE21 GLN A 114 1.267 12.604 -14.832 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.265 13.445 -14.576 1.00 0.00 H new ATOM 1864 N ASN A 115 4.366 12.242 -8.801 1.00 0.00 N ATOM 1865 CA ASN A 115 4.526 12.176 -7.371 1.00 0.00 C ATOM 1866 C ASN A 115 3.222 11.751 -6.682 1.00 0.00 C ATOM 1867 O ASN A 115 2.201 12.436 -6.781 1.00 0.00 O ATOM 1868 CB ASN A 115 5.051 13.539 -6.885 1.00 0.00 C ATOM 1869 CG ASN A 115 6.132 13.359 -5.847 1.00 0.00 C ATOM 1870 OD1 ASN A 115 7.180 13.988 -5.886 1.00 0.00 O ATOM 1871 ND2 ASN A 115 5.951 12.459 -4.910 1.00 0.00 N ATOM 0 H ASN A 115 4.482 13.182 -9.180 1.00 0.00 H new ATOM 0 HA ASN A 115 5.253 11.409 -7.104 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.443 14.105 -7.730 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.231 14.121 -6.465 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.682 12.287 -4.220 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.079 11.931 -4.872 1.00 0.00 H new ATOM 1878 N VAL A 116 3.286 10.633 -5.951 1.00 0.00 N ATOM 1879 CA VAL A 116 2.187 10.156 -5.102 1.00 0.00 C ATOM 1880 C VAL A 116 2.655 9.994 -3.655 1.00 0.00 C ATOM 1881 O VAL A 116 3.837 9.769 -3.382 1.00 0.00 O ATOM 1882 CB VAL A 116 1.523 8.886 -5.669 1.00 0.00 C ATOM 1883 CG1 VAL A 116 0.789 9.171 -6.977 1.00 0.00 C ATOM 1884 CG2 VAL A 116 2.502 7.743 -5.954 1.00 0.00 C ATOM 0 H VAL A 116 4.108 10.029 -5.931 1.00 0.00 H new ATOM 0 HA VAL A 116 1.405 10.915 -5.102 1.00 0.00 H new ATOM 0 HB VAL A 116 0.835 8.577 -4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.334 8.252 -7.346 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.013 9.916 -6.804 1.00 0.00 H new ATOM 0 HG13 VAL A 116 1.496 9.548 -7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 116 1.956 6.887 -6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.242 8.071 -6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.006 7.457 -5.031 1.00 0.00 H new ATOM 1894 N TYR A 117 1.712 10.141 -2.728 1.00 0.00 N ATOM 1895 CA TYR A 117 1.948 10.266 -1.293 1.00 0.00 C ATOM 1896 C TYR A 117 0.851 9.557 -0.480 1.00 0.00 C ATOM 1897 O TYR A 117 -0.236 9.274 -0.991 1.00 0.00 O ATOM 1898 CB TYR A 117 1.958 11.756 -0.920 1.00 0.00 C ATOM 1899 CG TYR A 117 2.715 12.716 -1.826 1.00 0.00 C ATOM 1900 CD1 TYR A 117 2.089 13.235 -2.978 1.00 0.00 C ATOM 1901 CD2 TYR A 117 4.002 13.164 -1.469 1.00 0.00 C ATOM 1902 CE1 TYR A 117 2.744 14.203 -3.762 1.00 0.00 C ATOM 1903 CE2 TYR A 117 4.648 14.153 -2.234 1.00 0.00 C ATOM 1904 CZ TYR A 117 4.014 14.685 -3.379 1.00 0.00 C ATOM 1905 OH TYR A 117 4.616 15.662 -4.108 1.00 0.00 O ATOM 0 H TYR A 117 0.721 10.178 -2.967 1.00 0.00 H new ATOM 0 HA TYR A 117 2.905 9.799 -1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.923 12.094 -0.867 1.00 0.00 H new ATOM 0 HB3 TYR A 117 2.374 11.846 0.083 1.00 0.00 H new ATOM 0 HD1 TYR A 117 1.105 12.889 -3.259 1.00 0.00 H new ATOM 0 HD2 TYR A 117 4.495 12.746 -0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 117 2.274 14.578 -4.659 1.00 0.00 H new ATOM 0 HE2 TYR A 117 5.628 14.505 -1.946 1.00 0.00 H new ATOM 0 HH TYR A 117 5.484 15.880 -3.709 1.00 0.00 H new ATOM 1915 N ASP A 118 1.128 9.276 0.794 1.00 0.00 N ATOM 1916 CA ASP A 118 0.244 8.511 1.675 1.00 0.00 C ATOM 1917 C ASP A 118 0.525 8.868 3.150 1.00 0.00 C ATOM 1918 O ASP A 118 1.654 8.736 3.626 1.00 0.00 O ATOM 1919 CB ASP A 118 0.475 7.017 1.385 1.00 0.00 C ATOM 1920 CG ASP A 118 -0.575 6.118 2.051 1.00 0.00 C ATOM 1921 OD1 ASP A 118 -0.596 6.035 3.300 1.00 0.00 O ATOM 1922 OD2 ASP A 118 -1.354 5.463 1.321 1.00 0.00 O ATOM 0 H ASP A 118 1.988 9.579 1.251 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.803 8.753 1.490 1.00 0.00 H new ATOM 0 HB2 ASP A 118 0.458 6.853 0.308 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.467 6.732 1.735 1.00 0.00 H new ATOM 1927 N ILE A 119 -0.471 9.376 3.884 1.00 0.00 N ATOM 1928 CA ILE A 119 -0.307 9.686 5.314 1.00 0.00 C ATOM 1929 C ILE A 119 -0.439 8.425 6.187 1.00 0.00 C ATOM 1930 O ILE A 119 -1.330 7.592 5.996 1.00 0.00 O ATOM 1931 CB ILE A 119 -1.260 10.804 5.777 1.00 0.00 C ATOM 1932 CG1 ILE A 119 -2.746 10.505 5.483 1.00 0.00 C ATOM 1933 CG2 ILE A 119 -0.813 12.137 5.148 1.00 0.00 C ATOM 1934 CD1 ILE A 119 -3.695 11.456 6.209 1.00 0.00 C ATOM 0 H ILE A 119 -1.399 9.582 3.515 1.00 0.00 H new ATOM 0 HA ILE A 119 0.707 10.064 5.443 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.195 10.869 6.863 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.920 10.574 4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.971 9.480 5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.483 12.934 5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.204 12.366 5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.844 12.055 4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.726 11.198 5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.544 11.369 7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.493 12.480 5.896 1.00 0.00 H new ATOM 1946 N GLY A 120 0.443 8.294 7.180 1.00 0.00 N ATOM 1947 CA GLY A 120 0.492 7.147 8.084 1.00 0.00 C ATOM 1948 C GLY A 120 -0.387 7.374 9.309 1.00 0.00 C ATOM 1949 O GLY A 120 -0.344 8.443 9.920 1.00 0.00 O ATOM 0 H GLY A 120 1.155 8.996 7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 120 0.163 6.251 7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 120 1.521 6.972 8.399 1.00 0.00 H new ATOM 1953 N VAL A 121 -1.181 6.370 9.679 1.00 0.00 N ATOM 1954 CA VAL A 121 -2.112 6.433 10.816 1.00 0.00 C ATOM 1955 C VAL A 121 -2.427 5.025 11.332 1.00 0.00 C ATOM 1956 O VAL A 121 -2.682 4.110 10.548 1.00 0.00 O ATOM 1957 CB VAL A 121 -3.379 7.226 10.417 1.00 0.00 C ATOM 1958 CG1 VAL A 121 -4.249 6.565 9.340 1.00 0.00 C ATOM 1959 CG2 VAL A 121 -4.243 7.539 11.635 1.00 0.00 C ATOM 0 H VAL A 121 -1.199 5.474 9.192 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.645 6.968 11.643 1.00 0.00 H new ATOM 0 HB VAL A 121 -2.988 8.143 9.977 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.112 7.198 9.130 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.664 6.435 8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.590 5.592 9.694 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.125 8.097 11.321 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.552 6.608 12.111 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.670 8.136 12.344 1.00 0.00 H new ATOM 2037 N ASN A 126 -7.027 3.567 6.189 1.00 0.00 N ATOM 2038 CA ASN A 126 -7.954 4.287 5.317 1.00 0.00 C ATOM 2039 C ASN A 126 -8.390 5.686 5.826 1.00 0.00 C ATOM 2040 O ASN A 126 -8.370 5.962 7.028 1.00 0.00 O ATOM 2041 CB ASN A 126 -9.170 3.378 5.036 1.00 0.00 C ATOM 2042 CG ASN A 126 -9.987 2.917 6.238 1.00 0.00 C ATOM 2043 OD1 ASN A 126 -10.166 3.723 7.255 1.00 0.00 O flip ATOM 2044 ND2 ASN A 126 -10.496 1.806 6.264 1.00 0.00 N flip ATOM 0 HA ASN A 126 -7.415 4.509 4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -9.838 3.907 4.356 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -8.815 2.492 4.509 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -10.366 1.167 5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -11.051 1.518 7.070 1.00 0.00 H new ATOM 2051 N PHE A 127 -8.889 6.540 4.927 1.00 0.00 N ATOM 2052 CA PHE A 127 -9.309 7.919 5.240 1.00 0.00 C ATOM 2053 C PHE A 127 -10.258 8.491 4.176 1.00 0.00 C ATOM 2054 O PHE A 127 -10.264 8.050 3.026 1.00 0.00 O ATOM 2055 CB PHE A 127 -8.068 8.830 5.386 1.00 0.00 C ATOM 2056 CG PHE A 127 -6.960 8.608 4.363 1.00 0.00 C ATOM 2057 CD1 PHE A 127 -7.154 8.915 3.001 1.00 0.00 C ATOM 2058 CD2 PHE A 127 -5.735 8.048 4.777 1.00 0.00 C ATOM 2059 CE1 PHE A 127 -6.152 8.618 2.059 1.00 0.00 C ATOM 2060 CE2 PHE A 127 -4.728 7.768 3.839 1.00 0.00 C ATOM 2061 CZ PHE A 127 -4.941 8.043 2.477 1.00 0.00 C ATOM 0 H PHE A 127 -9.016 6.294 3.945 1.00 0.00 H new ATOM 0 HA PHE A 127 -9.855 7.888 6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -8.393 9.868 5.322 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -7.651 8.687 6.383 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -8.074 9.380 2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -5.569 7.833 5.822 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -6.314 8.833 1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -3.790 7.342 4.164 1.00 0.00 H new ATOM 0 HZ PHE A 127 -4.174 7.812 1.753 1.00 0.00 H new ATOM 2071 N ALA A 128 -11.047 9.496 4.565 1.00 0.00 N ATOM 2072 CA ALA A 128 -11.935 10.243 3.681 1.00 0.00 C ATOM 2073 C ALA A 128 -11.180 11.187 2.720 1.00 0.00 C ATOM 2074 O ALA A 128 -10.134 11.753 3.050 1.00 0.00 O ATOM 2075 CB ALA A 128 -12.931 11.030 4.538 1.00 0.00 C ATOM 0 H ALA A 128 -11.084 9.819 5.532 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.457 9.527 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.602 11.594 3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.512 10.338 5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.389 11.718 5.186 1.00 0.00 H new ATOM 2081 N LEU A 129 -11.768 11.395 1.543 1.00 0.00 N ATOM 2082 CA LEU A 129 -11.217 12.120 0.395 1.00 0.00 C ATOM 2083 C LEU A 129 -12.258 13.079 -0.211 1.00 0.00 C ATOM 2084 O LEU A 129 -13.435 13.061 0.167 1.00 0.00 O ATOM 2085 CB LEU A 129 -10.842 11.058 -0.659 1.00 0.00 C ATOM 2086 CG LEU A 129 -9.670 10.146 -0.274 1.00 0.00 C ATOM 2087 CD1 LEU A 129 -9.699 8.850 -1.077 1.00 0.00 C ATOM 2088 CD2 LEU A 129 -8.351 10.834 -0.589 1.00 0.00 C ATOM 0 H LEU A 129 -12.704 11.039 1.352 1.00 0.00 H new ATOM 0 HA LEU A 129 -10.358 12.715 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -11.717 10.437 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -10.596 11.565 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 129 -9.761 9.933 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -8.858 8.222 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -10.632 8.321 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -9.628 9.079 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -7.524 10.180 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.300 11.052 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -8.282 11.764 -0.025 1.00 0.00 H new ATOM 2100 N LYS A 130 -11.836 13.878 -1.199 1.00 0.00 N ATOM 2101 CA LYS A 130 -12.729 14.680 -2.057 1.00 0.00 C ATOM 2102 C LYS A 130 -13.874 13.832 -2.636 1.00 0.00 C ATOM 2103 O LYS A 130 -13.706 12.641 -2.901 1.00 0.00 O ATOM 2104 CB LYS A 130 -11.898 15.395 -3.143 1.00 0.00 C ATOM 2105 CG LYS A 130 -11.416 14.489 -4.295 1.00 0.00 C ATOM 2106 CD LYS A 130 -12.306 14.589 -5.549 1.00 0.00 C ATOM 2107 CE LYS A 130 -11.984 15.844 -6.378 1.00 0.00 C ATOM 2108 NZ LYS A 130 -10.807 15.634 -7.272 1.00 0.00 N ATOM 0 H LYS A 130 -10.849 13.990 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 130 -13.213 15.446 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -12.495 16.204 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -11.028 15.852 -2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -10.393 14.759 -4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -11.395 13.454 -3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -12.167 13.701 -6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -13.354 14.609 -5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -12.852 16.115 -6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -11.786 16.681 -5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -10.674 16.472 -7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -9.955 15.484 -6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -10.970 14.800 -7.871 1.00 0.00 H new ATOM 2122 N ASN A 131 -15.044 14.449 -2.822 1.00 0.00 N ATOM 2123 CA ASN A 131 -16.297 13.788 -3.232 1.00 0.00 C ATOM 2124 C ASN A 131 -16.670 12.533 -2.388 1.00 0.00 C ATOM 2125 O ASN A 131 -17.412 11.661 -2.840 1.00 0.00 O ATOM 2126 CB ASN A 131 -16.248 13.559 -4.760 1.00 0.00 C ATOM 2127 CG ASN A 131 -17.618 13.350 -5.391 1.00 0.00 C ATOM 2128 OD1 ASN A 131 -17.976 12.271 -5.844 1.00 0.00 O ATOM 2129 ND2 ASN A 131 -18.422 14.391 -5.465 1.00 0.00 N ATOM 0 H ASN A 131 -15.154 15.454 -2.688 1.00 0.00 H new ATOM 0 HA ASN A 131 -17.136 14.449 -3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -15.767 14.416 -5.232 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -15.625 12.689 -4.969 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -19.340 14.296 -5.899 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -18.126 15.292 -5.088 1.00 0.00 H new ATOM 2136 N GLY A 132 -16.161 12.430 -1.152 1.00 0.00 N ATOM 2137 CA GLY A 132 -16.546 11.404 -0.183 1.00 0.00 C ATOM 2138 C GLY A 132 -15.976 10.008 -0.436 1.00 0.00 C ATOM 2139 O GLY A 132 -16.596 9.031 -0.028 1.00 0.00 O ATOM 0 H GLY A 132 -15.455 13.074 -0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -16.232 11.731 0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -17.634 11.335 -0.167 1.00 0.00 H new ATOM 2143 N PHE A 133 -14.833 9.890 -1.114 1.00 0.00 N ATOM 2144 CA PHE A 133 -14.144 8.608 -1.325 1.00 0.00 C ATOM 2145 C PHE A 133 -13.424 8.120 -0.056 1.00 0.00 C ATOM 2146 O PHE A 133 -13.039 8.922 0.795 1.00 0.00 O ATOM 2147 CB PHE A 133 -13.184 8.736 -2.524 1.00 0.00 C ATOM 2148 CG PHE A 133 -13.876 8.608 -3.861 1.00 0.00 C ATOM 2149 CD1 PHE A 133 -14.800 9.586 -4.275 1.00 0.00 C ATOM 2150 CD2 PHE A 133 -13.606 7.504 -4.686 1.00 0.00 C ATOM 2151 CE1 PHE A 133 -15.505 9.427 -5.477 1.00 0.00 C ATOM 2152 CE2 PHE A 133 -14.300 7.357 -5.898 1.00 0.00 C ATOM 2153 CZ PHE A 133 -15.269 8.295 -6.270 1.00 0.00 C ATOM 0 H PHE A 133 -14.353 10.685 -1.537 1.00 0.00 H new ATOM 0 HA PHE A 133 -14.889 7.845 -1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -12.679 9.701 -2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -12.413 7.969 -2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -14.967 10.462 -3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -12.869 6.772 -4.390 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -16.224 10.170 -5.789 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -14.085 6.518 -6.544 1.00 0.00 H new ATOM 0 HZ PHE A 133 -15.840 8.146 -7.175 1.00 0.00 H new ATOM 2163 N ILE A 134 -13.208 6.802 0.055 1.00 0.00 N ATOM 2164 CA ILE A 134 -12.408 6.167 1.116 1.00 0.00 C ATOM 2165 C ILE A 134 -11.394 5.239 0.439 1.00 0.00 C ATOM 2166 O ILE A 134 -11.741 4.148 -0.019 1.00 0.00 O ATOM 2167 CB ILE A 134 -13.264 5.397 2.155 1.00 0.00 C ATOM 2168 CG1 ILE A 134 -14.294 6.228 2.956 1.00 0.00 C ATOM 2169 CG2 ILE A 134 -12.359 4.708 3.199 1.00 0.00 C ATOM 2170 CD1 ILE A 134 -15.509 6.707 2.158 1.00 0.00 C ATOM 0 H ILE A 134 -13.594 6.129 -0.607 1.00 0.00 H new ATOM 0 HA ILE A 134 -11.905 6.946 1.688 1.00 0.00 H new ATOM 0 HB ILE A 134 -13.825 4.700 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -14.645 5.629 3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -13.788 7.098 3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -12.977 4.173 3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -11.695 4.004 2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -11.765 5.460 3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -16.169 7.279 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -15.177 7.338 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -16.047 5.846 1.762 1.00 0.00 H new ATOM 2182 N ALA A 135 -10.137 5.672 0.359 1.00 0.00 N ATOM 2183 CA ALA A 135 -9.034 4.812 -0.064 1.00 0.00 C ATOM 2184 C ALA A 135 -8.473 4.051 1.149 1.00 0.00 C ATOM 2185 O ALA A 135 -8.483 4.575 2.262 1.00 0.00 O ATOM 2186 CB ALA A 135 -7.979 5.664 -0.773 1.00 0.00 C ATOM 0 H ALA A 135 -9.855 6.626 0.585 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.380 4.061 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.152 5.029 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.425 6.144 -1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.607 6.427 -0.089 1.00 0.00 H new ATOM 2192 N SER A 136 -7.977 2.829 0.936 1.00 0.00 N ATOM 2193 CA SER A 136 -7.410 1.935 1.962 1.00 0.00 C ATOM 2194 C SER A 136 -6.073 1.343 1.500 1.00 0.00 C ATOM 2195 O SER A 136 -5.862 1.120 0.308 1.00 0.00 O ATOM 2196 CB SER A 136 -8.396 0.807 2.304 1.00 0.00 C ATOM 2197 OG SER A 136 -7.968 0.147 3.482 1.00 0.00 O ATOM 0 H SER A 136 -7.957 2.413 0.005 1.00 0.00 H new ATOM 0 HA SER A 136 -7.231 2.529 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 136 -9.397 1.215 2.446 1.00 0.00 H new ATOM 0 HB3 SER A 136 -8.455 0.098 1.478 1.00 0.00 H new ATOM 0 HG SER A 136 -8.597 -0.571 3.702 1.00 0.00 H new ATOM 2203 N ASN A 137 -5.153 1.099 2.432 1.00 0.00 N ATOM 2204 CA ASN A 137 -3.752 0.754 2.138 1.00 0.00 C ATOM 2205 C ASN A 137 -3.113 -0.199 3.167 1.00 0.00 C ATOM 2206 O ASN A 137 -3.553 -0.231 4.338 1.00 0.00 O ATOM 2207 CB ASN A 137 -2.951 2.068 1.990 1.00 0.00 C ATOM 2208 CG ASN A 137 -2.958 2.954 3.232 1.00 0.00 C ATOM 2209 OD1 ASN A 137 -3.962 3.556 3.603 1.00 0.00 O ATOM 2210 ND2 ASN A 137 -1.839 3.073 3.912 1.00 0.00 N ATOM 0 H ASN A 137 -5.358 1.135 3.431 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.729 0.191 1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.919 1.824 1.739 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.357 2.635 1.152 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -1.808 3.663 4.743 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -1.002 2.575 3.608 1.00 0.00 H new