USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1097 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 130 LYS NZ :NH3+ -178:sc= 1.07 (180deg=0) USER MOD Set 1.2: A 131 ASN : amide:sc= 0.923 K(o=2,f=-4) USER MOD Set 2.1: A 125 HIS : no HD1:sc= -0.347 X(o=-0.056,f=-0.085) USER MOD Set 2.2: A 136 SER OG : rot 169:sc= 0.291 USER MOD Set 3.1: A 75 MET CE :methyl -119:sc= -0.297 (180deg=-0.378) USER MOD Set 3.2: A 95 MET CE :methyl -134:sc= -0.473 (180deg=-0.0213) USER MOD Set 4.1: A 32 SER OG : rot 176:sc= 0.105 USER MOD Set 4.2: A 40 TYR OH : rot 144:sc= 1.18 USER MOD Set 4.3: A 42 GLN : amide:sc= 0.745 K(o=2.1,f=-2.6!) USER MOD Set 4.4: A 126 ASN : amide:sc= 0.104 X(o=2.1,f=2) USER MOD Set 5.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 114 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.17) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 84:sc= 0.789 USER MOD Single : A -1 GLY N :NH3+ 137:sc= 0.86 (180deg=0.0335) USER MOD Single : A 10 THR OG1 : rot -49:sc= 1.17 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot -69:sc= 0.317 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= 0.288 X(o=0.29,f=-0.025) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc=-0.00923 X(o=-0.0092,f=-0.043) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0505 X(o=-0.05,f=-0.13) USER MOD Single : A 48 HIS : no HE2:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 53 GLN : amide:sc= 0.311 K(o=0.31,f=-5.9!) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.0575 USER MOD Single : A 59 CYS SG : rot -47:sc= 0.00537 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0421 USER MOD Single : A 69 THR OG1 : rot 100:sc= 0.00345 USER MOD Single : A 70 LYS NZ :NH3+ -144:sc= 0.906 (180deg=-0.127) USER MOD Single : A 72 HIS : no HE2:sc= -1.37! C(o=-1.4!,f=-4.7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 80 GLN : amide:sc= -0.0221 X(o=-0.022,f=0) USER MOD Single : A 81 MET CE :methyl 164:sc= 0 (180deg=-0.124) USER MOD Single : A 99 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.028) USER MOD Single : A 102 ASN : amide:sc= 0.622 K(o=0.62,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 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 115 ASN : amide:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= 1.01 K(o=1,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -1.664 -0.791 -0.312 1.00 0.00 N ATOM 2 CA GLY A -1 -0.482 0.065 -0.560 1.00 0.00 C ATOM 3 C GLY A -1 -0.854 1.257 -1.423 1.00 0.00 C ATOM 4 O GLY A -1 -1.820 1.953 -1.116 1.00 0.00 O ATOM 0 H1 GLY A -1 -1.396 -1.791 -0.413 1.00 0.00 H new ATOM 0 H2 GLY A -1 -2.018 -0.623 0.651 1.00 0.00 H new ATOM 0 H3 GLY A -1 -2.409 -0.561 -1.000 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -0.072 0.411 0.389 1.00 0.00 H new ATOM 0 HA3 GLY A -1 0.298 -0.517 -1.051 1.00 0.00 H new ATOM 8 N GLY A 0 -0.118 1.490 -2.516 1.00 0.00 N ATOM 9 CA GLY A 0 -0.310 2.611 -3.425 1.00 0.00 C ATOM 10 C GLY A 0 -0.009 3.975 -2.814 1.00 0.00 C ATOM 11 O GLY A 0 0.579 4.088 -1.737 1.00 0.00 O ATOM 0 H GLY A 0 0.651 0.880 -2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.327 2.469 -4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -1.341 2.604 -3.778 1.00 0.00 H new ATOM 15 N ALA A 1 -0.397 5.010 -3.559 1.00 0.00 N ATOM 16 CA ALA A 1 -0.418 6.400 -3.119 1.00 0.00 C ATOM 17 C ALA A 1 -1.311 7.256 -4.047 1.00 0.00 C ATOM 18 O ALA A 1 -1.789 6.781 -5.084 1.00 0.00 O ATOM 19 CB ALA A 1 1.027 6.898 -3.067 1.00 0.00 C ATOM 0 H ALA A 1 -0.717 4.896 -4.521 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.856 6.485 -2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.042 7.938 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.597 6.289 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.474 6.823 -4.058 1.00 0.00 H new ATOM 25 N LEU A 2 -1.531 8.517 -3.672 1.00 0.00 N ATOM 26 CA LEU A 2 -2.447 9.460 -4.318 1.00 0.00 C ATOM 27 C LEU A 2 -1.655 10.653 -4.879 1.00 0.00 C ATOM 28 O LEU A 2 -0.654 11.060 -4.285 1.00 0.00 O ATOM 29 CB LEU A 2 -3.464 9.981 -3.285 1.00 0.00 C ATOM 30 CG LEU A 2 -4.385 9.005 -2.529 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.043 7.971 -3.441 1.00 0.00 C ATOM 32 CD2 LEU A 2 -3.679 8.325 -1.361 1.00 0.00 C ATOM 0 H LEU A 2 -1.052 8.929 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 2 -2.968 8.950 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -2.903 10.539 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.107 10.696 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.184 9.625 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.679 7.314 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.648 8.480 -4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.273 7.380 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.372 7.648 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.823 7.761 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -3.337 9.080 -0.653 1.00 0.00 H new ATOM 44 N SER A 3 -2.089 11.233 -6.002 1.00 0.00 N ATOM 45 CA SER A 3 -1.391 12.386 -6.595 1.00 0.00 C ATOM 46 C SER A 3 -1.655 13.669 -5.799 1.00 0.00 C ATOM 47 O SER A 3 -2.627 13.732 -5.041 1.00 0.00 O ATOM 48 CB SER A 3 -1.747 12.527 -8.075 1.00 0.00 C ATOM 49 OG SER A 3 -0.694 13.205 -8.742 1.00 0.00 O ATOM 0 H SER A 3 -2.914 10.928 -6.518 1.00 0.00 H new ATOM 0 HA SER A 3 -0.317 12.207 -6.539 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.903 11.544 -8.520 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.680 13.079 -8.187 1.00 0.00 H new ATOM 0 HG SER A 3 -0.915 13.298 -9.692 1.00 0.00 H new ATOM 55 N TYR A 4 -0.800 14.688 -5.959 1.00 0.00 N ATOM 56 CA TYR A 4 -0.758 15.904 -5.134 1.00 0.00 C ATOM 57 C TYR A 4 -2.142 16.527 -4.914 1.00 0.00 C ATOM 58 O TYR A 4 -2.546 16.786 -3.782 1.00 0.00 O ATOM 59 CB TYR A 4 0.180 16.924 -5.802 1.00 0.00 C ATOM 60 CG TYR A 4 0.204 18.293 -5.143 1.00 0.00 C ATOM 61 CD1 TYR A 4 1.102 18.563 -4.092 1.00 0.00 C ATOM 62 CD2 TYR A 4 -0.684 19.296 -5.583 1.00 0.00 C ATOM 63 CE1 TYR A 4 1.098 19.823 -3.463 1.00 0.00 C ATOM 64 CE2 TYR A 4 -0.692 20.558 -4.955 1.00 0.00 C ATOM 65 CZ TYR A 4 0.196 20.824 -3.891 1.00 0.00 C ATOM 66 OH TYR A 4 0.190 22.048 -3.296 1.00 0.00 O ATOM 0 H TYR A 4 -0.092 14.689 -6.694 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.386 15.624 -4.148 1.00 0.00 H new ATOM 0 HB2 TYR A 4 1.192 16.519 -5.804 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.118 17.043 -6.844 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.796 17.801 -3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.359 19.097 -6.402 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.784 20.025 -2.654 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.378 21.322 -5.289 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.492 22.613 -3.716 1.00 0.00 H new ATOM 76 N GLU A 5 -2.876 16.702 -6.012 1.00 0.00 N ATOM 77 CA GLU A 5 -4.202 17.311 -6.102 1.00 0.00 C ATOM 78 C GLU A 5 -5.337 16.513 -5.422 1.00 0.00 C ATOM 79 O GLU A 5 -6.485 16.962 -5.418 1.00 0.00 O ATOM 80 CB GLU A 5 -4.516 17.572 -7.589 1.00 0.00 C ATOM 81 CG GLU A 5 -4.519 16.326 -8.498 1.00 0.00 C ATOM 82 CD GLU A 5 -3.196 16.127 -9.272 1.00 0.00 C ATOM 83 OE1 GLU A 5 -2.103 16.340 -8.695 1.00 0.00 O ATOM 84 OE2 GLU A 5 -3.249 15.755 -10.468 1.00 0.00 O ATOM 0 H GLU A 5 -2.536 16.401 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.164 18.243 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.492 18.052 -7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.785 18.281 -7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.712 15.442 -7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.340 16.408 -9.211 1.00 0.00 H new ATOM 91 N THR A 6 -5.046 15.340 -4.850 1.00 0.00 N ATOM 92 CA THR A 6 -6.015 14.529 -4.097 1.00 0.00 C ATOM 93 C THR A 6 -6.289 15.171 -2.735 1.00 0.00 C ATOM 94 O THR A 6 -5.445 15.118 -1.838 1.00 0.00 O ATOM 95 CB THR A 6 -5.535 13.085 -3.916 1.00 0.00 C ATOM 96 OG1 THR A 6 -5.181 12.550 -5.173 1.00 0.00 O ATOM 97 CG2 THR A 6 -6.628 12.207 -3.304 1.00 0.00 C ATOM 0 H THR A 6 -4.118 14.919 -4.896 1.00 0.00 H new ATOM 0 HA THR A 6 -6.939 14.496 -4.675 1.00 0.00 H new ATOM 0 HB THR A 6 -4.677 13.097 -3.244 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.262 12.811 -5.393 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.255 11.189 -3.189 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.909 12.603 -2.328 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.500 12.202 -3.958 1.00 0.00 H new ATOM 105 N GLU A 7 -7.444 15.821 -2.575 1.00 0.00 N ATOM 106 CA GLU A 7 -7.746 16.592 -1.362 1.00 0.00 C ATOM 107 C GLU A 7 -8.360 15.724 -0.255 1.00 0.00 C ATOM 108 O GLU A 7 -9.357 15.022 -0.461 1.00 0.00 O ATOM 109 CB GLU A 7 -8.662 17.786 -1.649 1.00 0.00 C ATOM 110 CG GLU A 7 -8.149 18.664 -2.801 1.00 0.00 C ATOM 111 CD GLU A 7 -8.902 20.003 -2.893 1.00 0.00 C ATOM 112 OE1 GLU A 7 -8.658 20.898 -2.049 1.00 0.00 O ATOM 113 OE2 GLU A 7 -9.726 20.180 -3.823 1.00 0.00 O ATOM 0 H GLU A 7 -8.189 15.830 -3.272 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.786 16.969 -1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.661 17.422 -1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.754 18.393 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.085 18.856 -2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.255 18.124 -3.742 1.00 0.00 H new ATOM 120 N ILE A 8 -7.786 15.824 0.942 1.00 0.00 N ATOM 121 CA ILE A 8 -8.195 15.091 2.142 1.00 0.00 C ATOM 122 C ILE A 8 -8.903 16.076 3.069 1.00 0.00 C ATOM 123 O ILE A 8 -8.344 17.119 3.415 1.00 0.00 O ATOM 124 CB ILE A 8 -6.971 14.455 2.846 1.00 0.00 C ATOM 125 CG1 ILE A 8 -6.036 13.682 1.888 1.00 0.00 C ATOM 126 CG2 ILE A 8 -7.425 13.542 4.000 1.00 0.00 C ATOM 127 CD1 ILE A 8 -6.710 12.599 1.036 1.00 0.00 C ATOM 0 H ILE A 8 -6.992 16.442 1.111 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.867 14.276 1.873 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.386 15.286 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.556 14.398 1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.246 13.216 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.551 13.104 4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.986 14.128 4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.059 12.747 3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.965 12.120 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.165 11.853 1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.480 13.053 0.412 1.00 0.00 H new ATOM 139 N LEU A 9 -10.143 15.768 3.452 1.00 0.00 N ATOM 140 CA LEU A 9 -10.861 16.523 4.480 1.00 0.00 C ATOM 141 C LEU A 9 -10.174 16.349 5.847 1.00 0.00 C ATOM 142 O LEU A 9 -10.024 15.229 6.341 1.00 0.00 O ATOM 143 CB LEU A 9 -12.340 16.088 4.500 1.00 0.00 C ATOM 144 CG LEU A 9 -13.279 17.192 5.027 1.00 0.00 C ATOM 145 CD1 LEU A 9 -14.669 17.060 4.408 1.00 0.00 C ATOM 146 CD2 LEU A 9 -13.442 17.160 6.535 1.00 0.00 C ATOM 0 H LEU A 9 -10.676 14.992 3.060 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.835 17.588 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.646 15.808 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.445 15.200 5.123 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.811 18.135 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.315 17.849 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.595 17.149 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.090 16.088 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.114 17.960 6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.859 16.199 6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.470 17.298 7.009 1.00 0.00 H new ATOM 158 N THR A 10 -9.778 17.464 6.466 1.00 0.00 N ATOM 159 CA THR A 10 -9.093 17.503 7.769 1.00 0.00 C ATOM 160 C THR A 10 -9.831 18.379 8.780 1.00 0.00 C ATOM 161 O THR A 10 -10.490 19.353 8.413 1.00 0.00 O ATOM 162 CB THR A 10 -7.637 17.992 7.645 1.00 0.00 C ATOM 163 OG1 THR A 10 -7.576 19.285 7.080 1.00 0.00 O ATOM 164 CG2 THR A 10 -6.756 17.062 6.813 1.00 0.00 C ATOM 0 H THR A 10 -9.927 18.391 6.068 1.00 0.00 H new ATOM 0 HA THR A 10 -9.089 16.475 8.130 1.00 0.00 H new ATOM 0 HB THR A 10 -7.253 18.005 8.665 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.122 19.313 6.267 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.744 17.465 6.766 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.732 16.075 7.274 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.162 16.982 5.805 1.00 0.00 H new ATOM 172 N VAL A 11 -9.713 18.048 10.071 1.00 0.00 N ATOM 173 CA VAL A 11 -10.318 18.836 11.168 1.00 0.00 C ATOM 174 C VAL A 11 -9.567 20.153 11.412 1.00 0.00 C ATOM 175 O VAL A 11 -10.175 21.172 11.743 1.00 0.00 O ATOM 176 CB VAL A 11 -10.397 18.017 12.472 1.00 0.00 C ATOM 177 CG1 VAL A 11 -11.186 18.742 13.573 1.00 0.00 C ATOM 178 CG2 VAL A 11 -11.071 16.653 12.263 1.00 0.00 C ATOM 0 H VAL A 11 -9.197 17.228 10.392 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.332 19.083 10.853 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.359 17.885 12.777 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.212 18.123 14.470 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.703 19.692 13.802 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.204 18.926 13.230 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.103 16.114 13.210 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.086 16.801 11.896 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.503 16.074 11.535 1.00 0.00 H new ATOM 188 N GLU A 12 -8.243 20.153 11.212 1.00 0.00 N ATOM 189 CA GLU A 12 -7.382 21.323 11.447 1.00 0.00 C ATOM 190 C GLU A 12 -7.622 22.488 10.471 1.00 0.00 C ATOM 191 O GLU A 12 -7.455 23.646 10.863 1.00 0.00 O ATOM 192 CB GLU A 12 -5.909 20.891 11.360 1.00 0.00 C ATOM 193 CG GLU A 12 -5.366 20.325 12.679 1.00 0.00 C ATOM 194 CD GLU A 12 -5.313 21.390 13.793 1.00 0.00 C ATOM 195 OE1 GLU A 12 -4.402 22.256 13.775 1.00 0.00 O ATOM 196 OE2 GLU A 12 -6.179 21.370 14.701 1.00 0.00 O ATOM 0 H GLU A 12 -7.733 19.334 10.880 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.635 21.695 12.440 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.803 20.139 10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.303 21.747 11.063 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.994 19.495 13.002 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.366 19.923 12.515 1.00 0.00 H new ATOM 203 N TYR A 13 -8.030 22.200 9.227 1.00 0.00 N ATOM 204 CA TYR A 13 -8.184 23.214 8.171 1.00 0.00 C ATOM 205 C TYR A 13 -9.408 22.986 7.273 1.00 0.00 C ATOM 206 O TYR A 13 -10.183 23.920 7.044 1.00 0.00 O ATOM 207 CB TYR A 13 -6.917 23.235 7.297 1.00 0.00 C ATOM 208 CG TYR A 13 -5.647 23.694 7.995 1.00 0.00 C ATOM 209 CD1 TYR A 13 -5.554 25.014 8.479 1.00 0.00 C ATOM 210 CD2 TYR A 13 -4.553 22.817 8.135 1.00 0.00 C ATOM 211 CE1 TYR A 13 -4.376 25.458 9.111 1.00 0.00 C ATOM 212 CE2 TYR A 13 -3.368 23.260 8.759 1.00 0.00 C ATOM 213 CZ TYR A 13 -3.279 24.580 9.251 1.00 0.00 C ATOM 214 OH TYR A 13 -2.134 25.003 9.851 1.00 0.00 O ATOM 0 H TYR A 13 -8.263 21.255 8.923 1.00 0.00 H new ATOM 0 HA TYR A 13 -8.335 24.168 8.675 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.752 22.232 6.903 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.097 23.887 6.443 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.390 25.688 8.365 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.622 21.805 7.764 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.312 26.468 9.488 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.528 22.589 8.860 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.482 24.271 9.864 1.00 0.00 H new ATOM 224 N GLY A 14 -9.578 21.768 6.751 1.00 0.00 N ATOM 225 CA GLY A 14 -10.614 21.418 5.774 1.00 0.00 C ATOM 226 C GLY A 14 -10.049 20.582 4.627 1.00 0.00 C ATOM 227 O GLY A 14 -9.109 19.808 4.815 1.00 0.00 O ATOM 0 H GLY A 14 -8.984 20.978 7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.410 20.864 6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.061 22.329 5.375 1.00 0.00 H new ATOM 231 N LEU A 15 -10.635 20.731 3.439 1.00 0.00 N ATOM 232 CA LEU A 15 -10.151 20.157 2.176 1.00 0.00 C ATOM 233 C LEU A 15 -8.747 20.711 1.831 1.00 0.00 C ATOM 234 O LEU A 15 -8.622 21.899 1.519 1.00 0.00 O ATOM 235 CB LEU A 15 -11.146 20.482 1.026 1.00 0.00 C ATOM 236 CG LEU A 15 -12.653 20.555 1.356 1.00 0.00 C ATOM 237 CD1 LEU A 15 -13.444 20.888 0.091 1.00 0.00 C ATOM 238 CD2 LEU A 15 -13.190 19.277 2.002 1.00 0.00 C ATOM 0 H LEU A 15 -11.491 21.274 3.322 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.080 19.075 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.854 21.440 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.013 19.729 0.249 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.781 21.348 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.507 20.938 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.114 21.850 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.276 20.114 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -14.254 19.393 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -13.042 18.437 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.658 19.089 2.934 1.00 0.00 H new ATOM 250 N LEU A 16 -7.701 19.876 1.871 1.00 0.00 N ATOM 251 CA LEU A 16 -6.333 20.233 1.446 1.00 0.00 C ATOM 252 C LEU A 16 -5.614 19.104 0.675 1.00 0.00 C ATOM 253 O LEU A 16 -5.848 17.928 0.967 1.00 0.00 O ATOM 254 CB LEU A 16 -5.493 20.601 2.685 1.00 0.00 C ATOM 255 CG LEU A 16 -5.839 21.945 3.348 1.00 0.00 C ATOM 256 CD1 LEU A 16 -4.933 22.126 4.561 1.00 0.00 C ATOM 257 CD2 LEU A 16 -5.620 23.138 2.415 1.00 0.00 C ATOM 0 H LEU A 16 -7.778 18.915 2.205 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.429 21.078 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.607 19.811 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.442 20.618 2.397 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.895 21.918 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.161 23.074 5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.098 21.309 5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.891 22.124 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.880 24.060 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.574 23.175 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.250 23.030 1.532 1.00 0.00 H new ATOM 269 N PRO A 17 -4.709 19.433 -0.273 1.00 0.00 N ATOM 270 CA PRO A 17 -3.955 18.456 -1.068 1.00 0.00 C ATOM 271 C PRO A 17 -3.029 17.589 -0.204 1.00 0.00 C ATOM 272 O PRO A 17 -2.191 18.105 0.544 1.00 0.00 O ATOM 273 CB PRO A 17 -3.166 19.284 -2.095 1.00 0.00 C ATOM 274 CG PRO A 17 -3.044 20.663 -1.457 1.00 0.00 C ATOM 275 CD PRO A 17 -4.342 20.789 -0.667 1.00 0.00 C ATOM 0 HA PRO A 17 -4.625 17.746 -1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.186 18.848 -2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.688 19.333 -3.051 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.169 20.733 -0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.950 21.448 -2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.206 21.426 0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.125 21.244 -1.274 1.00 0.00 H new ATOM 283 N ILE A 18 -3.136 16.261 -0.340 1.00 0.00 N ATOM 284 CA ILE A 18 -2.303 15.294 0.395 1.00 0.00 C ATOM 285 C ILE A 18 -0.801 15.511 0.191 1.00 0.00 C ATOM 286 O ILE A 18 -0.022 15.373 1.135 1.00 0.00 O ATOM 287 CB ILE A 18 -2.696 13.844 0.040 1.00 0.00 C ATOM 288 CG1 ILE A 18 -2.015 12.867 1.024 1.00 0.00 C ATOM 289 CG2 ILE A 18 -2.400 13.478 -1.426 1.00 0.00 C ATOM 290 CD1 ILE A 18 -2.577 11.447 0.944 1.00 0.00 C ATOM 0 H ILE A 18 -3.809 15.821 -0.968 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.500 15.467 1.453 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.778 13.760 0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.945 12.840 0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.135 13.242 2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.699 12.446 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.958 14.142 -2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.333 13.587 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.058 10.809 1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.641 11.463 1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.433 11.055 -0.063 1.00 0.00 H new ATOM 302 N GLY A 19 -0.389 15.907 -1.018 1.00 0.00 N ATOM 303 CA GLY A 19 1.024 16.098 -1.326 1.00 0.00 C ATOM 304 C GLY A 19 1.659 17.217 -0.508 1.00 0.00 C ATOM 305 O GLY A 19 2.811 17.091 -0.103 1.00 0.00 O ATOM 0 H GLY A 19 -1.018 16.101 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.561 15.168 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.133 16.322 -2.387 1.00 0.00 H new ATOM 309 N LYS A 20 0.899 18.266 -0.166 1.00 0.00 N ATOM 310 CA LYS A 20 1.375 19.348 0.703 1.00 0.00 C ATOM 311 C LYS A 20 1.514 18.877 2.152 1.00 0.00 C ATOM 312 O LYS A 20 2.489 19.220 2.808 1.00 0.00 O ATOM 313 CB LYS A 20 0.426 20.550 0.566 1.00 0.00 C ATOM 314 CG LYS A 20 1.058 21.845 1.096 1.00 0.00 C ATOM 315 CD LYS A 20 0.104 23.033 0.892 1.00 0.00 C ATOM 316 CE LYS A 20 0.716 24.367 1.343 1.00 0.00 C ATOM 317 NZ LYS A 20 1.782 24.852 0.420 1.00 0.00 N ATOM 0 H LYS A 20 -0.062 18.387 -0.484 1.00 0.00 H new ATOM 0 HA LYS A 20 2.373 19.657 0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.156 20.681 -0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.496 20.348 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.291 21.736 2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.000 22.034 0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.167 23.100 -0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.817 22.854 1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.070 25.119 1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.132 24.251 2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.161 25.755 0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.548 24.150 0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.382 24.990 -0.530 1.00 0.00 H new ATOM 331 N ILE A 21 0.596 18.033 2.638 1.00 0.00 N ATOM 332 CA ILE A 21 0.646 17.478 4.002 1.00 0.00 C ATOM 333 C ILE A 21 1.870 16.579 4.178 1.00 0.00 C ATOM 334 O ILE A 21 2.505 16.616 5.226 1.00 0.00 O ATOM 335 CB ILE A 21 -0.663 16.735 4.356 1.00 0.00 C ATOM 336 CG1 ILE A 21 -1.844 17.736 4.397 1.00 0.00 C ATOM 337 CG2 ILE A 21 -0.580 15.951 5.678 1.00 0.00 C ATOM 338 CD1 ILE A 21 -3.216 17.067 4.247 1.00 0.00 C ATOM 0 H ILE A 21 -0.207 17.713 2.097 1.00 0.00 H new ATOM 0 HA ILE A 21 0.742 18.309 4.701 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.828 15.997 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.815 18.282 5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.717 18.469 3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.531 15.454 5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.212 15.205 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.362 16.638 6.495 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.997 17.826 4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.264 16.545 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.364 16.354 5.058 1.00 0.00 H new ATOM 350 N VAL A 22 2.231 15.801 3.157 1.00 0.00 N ATOM 351 CA VAL A 22 3.357 14.856 3.199 1.00 0.00 C ATOM 352 C VAL A 22 4.701 15.533 2.896 1.00 0.00 C ATOM 353 O VAL A 22 5.691 15.239 3.566 1.00 0.00 O ATOM 354 CB VAL A 22 3.062 13.686 2.246 1.00 0.00 C ATOM 355 CG1 VAL A 22 4.219 12.687 2.141 1.00 0.00 C ATOM 356 CG2 VAL A 22 1.822 12.926 2.741 1.00 0.00 C ATOM 0 H VAL A 22 1.744 15.807 2.261 1.00 0.00 H new ATOM 0 HA VAL A 22 3.455 14.469 4.213 1.00 0.00 H new ATOM 0 HB VAL A 22 2.904 14.122 1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.947 11.886 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.108 13.197 1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.426 12.266 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.611 12.096 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.007 12.541 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.967 13.601 2.764 1.00 0.00 H new ATOM 366 N GLU A 23 4.751 16.491 1.964 1.00 0.00 N ATOM 367 CA GLU A 23 5.974 17.265 1.666 1.00 0.00 C ATOM 368 C GLU A 23 6.341 18.268 2.773 1.00 0.00 C ATOM 369 O GLU A 23 7.517 18.615 2.924 1.00 0.00 O ATOM 370 CB GLU A 23 5.838 18.022 0.332 1.00 0.00 C ATOM 371 CG GLU A 23 5.909 17.103 -0.895 1.00 0.00 C ATOM 372 CD GLU A 23 7.358 16.680 -1.199 1.00 0.00 C ATOM 373 OE1 GLU A 23 8.055 17.393 -1.964 1.00 0.00 O ATOM 374 OE2 GLU A 23 7.824 15.643 -0.668 1.00 0.00 O ATOM 0 H GLU A 23 3.949 16.756 1.392 1.00 0.00 H new ATOM 0 HA GLU A 23 6.777 16.530 1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.889 18.559 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.628 18.770 0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.298 16.217 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.489 17.616 -1.760 1.00 0.00 H new ATOM 381 N LYS A 24 5.353 18.706 3.569 1.00 0.00 N ATOM 382 CA LYS A 24 5.514 19.673 4.672 1.00 0.00 C ATOM 383 C LYS A 24 5.244 19.058 6.056 1.00 0.00 C ATOM 384 O LYS A 24 5.274 19.776 7.059 1.00 0.00 O ATOM 385 CB LYS A 24 4.638 20.920 4.411 1.00 0.00 C ATOM 386 CG LYS A 24 4.789 21.560 3.016 1.00 0.00 C ATOM 387 CD LYS A 24 6.162 22.207 2.762 1.00 0.00 C ATOM 388 CE LYS A 24 6.307 23.522 3.538 1.00 0.00 C ATOM 389 NZ LYS A 24 7.694 24.054 3.473 1.00 0.00 N ATOM 0 H LYS A 24 4.390 18.389 3.461 1.00 0.00 H new ATOM 0 HA LYS A 24 6.560 19.978 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.593 20.644 4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.875 21.672 5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.614 20.797 2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.015 22.317 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.952 21.518 3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.287 22.395 1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.615 24.261 3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.028 23.362 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.750 24.943 4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.352 23.360 3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.952 24.231 2.481 1.00 0.00 H new ATOM 403 N ARG A 25 5.023 17.732 6.113 1.00 0.00 N ATOM 404 CA ARG A 25 4.832 16.905 7.326 1.00 0.00 C ATOM 405 C ARG A 25 3.813 17.515 8.308 1.00 0.00 C ATOM 406 O ARG A 25 4.096 17.697 9.496 1.00 0.00 O ATOM 407 CB ARG A 25 6.218 16.609 7.941 1.00 0.00 C ATOM 408 CG ARG A 25 7.058 15.650 7.072 1.00 0.00 C ATOM 409 CD ARG A 25 6.913 14.213 7.565 1.00 0.00 C ATOM 410 NE ARG A 25 7.655 13.260 6.714 1.00 0.00 N ATOM 411 CZ ARG A 25 8.079 12.054 7.060 1.00 0.00 C ATOM 412 NH1 ARG A 25 7.948 11.587 8.272 1.00 0.00 N ATOM 413 NH2 ARG A 25 8.648 11.279 6.182 1.00 0.00 N ATOM 0 H ARG A 25 4.969 17.172 5.262 1.00 0.00 H new ATOM 0 HA ARG A 25 4.376 15.952 7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.761 17.545 8.072 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.087 16.175 8.932 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.738 15.718 6.032 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.106 15.947 7.103 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.276 14.143 8.590 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.858 13.940 7.581 1.00 0.00 H new ATOM 0 HE ARG A 25 7.862 13.562 5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.505 12.157 8.993 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.288 10.652 8.498 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.769 11.600 5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.972 10.351 6.455 1.00 0.00 H new ATOM 427 N ILE A 26 2.646 17.907 7.783 1.00 0.00 N ATOM 428 CA ILE A 26 1.645 18.707 8.507 1.00 0.00 C ATOM 429 C ILE A 26 0.857 17.821 9.482 1.00 0.00 C ATOM 430 O ILE A 26 0.167 16.879 9.082 1.00 0.00 O ATOM 431 CB ILE A 26 0.715 19.474 7.532 1.00 0.00 C ATOM 432 CG1 ILE A 26 1.547 20.289 6.514 1.00 0.00 C ATOM 433 CG2 ILE A 26 -0.228 20.398 8.325 1.00 0.00 C ATOM 434 CD1 ILE A 26 0.724 21.052 5.468 1.00 0.00 C ATOM 0 H ILE A 26 2.364 17.675 6.830 1.00 0.00 H new ATOM 0 HA ILE A 26 2.168 19.463 9.093 1.00 0.00 H new ATOM 0 HB ILE A 26 0.115 18.752 6.978 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.164 21.003 7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.226 19.611 5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.879 20.934 7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.835 19.801 9.006 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.361 21.114 8.898 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.395 21.592 4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.127 20.347 4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.064 21.760 5.970 1.00 0.00 H new ATOM 446 N GLU A 27 0.960 18.128 10.775 1.00 0.00 N ATOM 447 CA GLU A 27 0.207 17.465 11.845 1.00 0.00 C ATOM 448 C GLU A 27 -1.272 17.870 11.797 1.00 0.00 C ATOM 449 O GLU A 27 -1.626 19.027 12.044 1.00 0.00 O ATOM 450 CB GLU A 27 0.815 17.774 13.222 1.00 0.00 C ATOM 451 CG GLU A 27 2.171 17.084 13.413 1.00 0.00 C ATOM 452 CD GLU A 27 2.677 17.246 14.857 1.00 0.00 C ATOM 453 OE1 GLU A 27 2.168 16.539 15.763 1.00 0.00 O ATOM 454 OE2 GLU A 27 3.586 18.073 15.105 1.00 0.00 O ATOM 0 H GLU A 27 1.582 18.860 11.117 1.00 0.00 H new ATOM 0 HA GLU A 27 0.272 16.389 11.686 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.937 18.852 13.332 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.128 17.449 14.004 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.080 16.025 13.173 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.898 17.507 12.720 1.00 0.00 H new ATOM 461 N CYS A 28 -2.133 16.908 11.459 1.00 0.00 N ATOM 462 CA CYS A 28 -3.572 17.109 11.286 1.00 0.00 C ATOM 463 C CYS A 28 -4.399 15.855 11.622 1.00 0.00 C ATOM 464 O CYS A 28 -3.868 14.758 11.828 1.00 0.00 O ATOM 465 CB CYS A 28 -3.830 17.623 9.854 1.00 0.00 C ATOM 466 SG CYS A 28 -3.148 16.493 8.598 1.00 0.00 S ATOM 0 H CYS A 28 -1.841 15.945 11.294 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.910 17.858 12.002 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.902 17.737 9.696 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.383 18.610 9.736 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.849 16.522 8.648 1.00 0.00 H new ATOM 472 N THR A 29 -5.720 16.029 11.667 1.00 0.00 N ATOM 473 CA THR A 29 -6.706 14.994 12.026 1.00 0.00 C ATOM 474 C THR A 29 -7.608 14.731 10.822 1.00 0.00 C ATOM 475 O THR A 29 -7.967 15.669 10.111 1.00 0.00 O ATOM 476 CB THR A 29 -7.567 15.452 13.221 1.00 0.00 C ATOM 477 OG1 THR A 29 -6.812 16.163 14.181 1.00 0.00 O ATOM 478 CG2 THR A 29 -8.252 14.314 13.971 1.00 0.00 C ATOM 0 H THR A 29 -6.155 16.925 11.447 1.00 0.00 H new ATOM 0 HA THR A 29 -6.178 14.084 12.309 1.00 0.00 H new ATOM 0 HB THR A 29 -8.322 16.086 12.756 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.396 16.436 14.919 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.837 14.722 14.796 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.911 13.775 13.291 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.498 13.631 14.363 1.00 0.00 H new ATOM 486 N VAL A 30 -8.007 13.477 10.610 1.00 0.00 N ATOM 487 CA VAL A 30 -8.781 12.999 9.445 1.00 0.00 C ATOM 488 C VAL A 30 -10.035 12.245 9.893 1.00 0.00 C ATOM 489 O VAL A 30 -10.135 11.841 11.052 1.00 0.00 O ATOM 490 CB VAL A 30 -7.926 12.109 8.513 1.00 0.00 C ATOM 491 CG1 VAL A 30 -6.773 12.899 7.889 1.00 0.00 C ATOM 492 CG2 VAL A 30 -7.356 10.858 9.198 1.00 0.00 C ATOM 0 H VAL A 30 -7.795 12.728 11.269 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.085 13.880 8.879 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.616 11.774 7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.192 12.244 7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.174 13.727 7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.131 13.290 8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.769 10.286 8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.720 11.157 10.031 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.175 10.242 9.570 1.00 0.00 H new ATOM 502 N TYR A 31 -10.973 12.029 8.970 1.00 0.00 N ATOM 503 CA TYR A 31 -12.233 11.315 9.196 1.00 0.00 C ATOM 504 C TYR A 31 -12.142 9.899 8.631 1.00 0.00 C ATOM 505 O TYR A 31 -11.536 9.677 7.583 1.00 0.00 O ATOM 506 CB TYR A 31 -13.407 12.058 8.535 1.00 0.00 C ATOM 507 CG TYR A 31 -13.760 13.393 9.164 1.00 0.00 C ATOM 508 CD1 TYR A 31 -13.025 14.552 8.840 1.00 0.00 C ATOM 509 CD2 TYR A 31 -14.847 13.475 10.056 1.00 0.00 C ATOM 510 CE1 TYR A 31 -13.357 15.783 9.441 1.00 0.00 C ATOM 511 CE2 TYR A 31 -15.201 14.710 10.633 1.00 0.00 C ATOM 512 CZ TYR A 31 -14.450 15.866 10.331 1.00 0.00 C ATOM 513 OH TYR A 31 -14.786 17.064 10.880 1.00 0.00 O ATOM 0 H TYR A 31 -10.874 12.358 8.010 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.409 11.267 10.271 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.168 12.221 7.484 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.287 11.415 8.566 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -12.210 14.497 8.133 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.412 12.587 10.299 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.774 16.665 9.220 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -16.045 14.772 11.305 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.561 16.948 11.469 1.00 0.00 H new ATOM 523 N SER A 32 -12.765 8.946 9.320 1.00 0.00 N ATOM 524 CA SER A 32 -12.740 7.517 8.999 1.00 0.00 C ATOM 525 C SER A 32 -13.995 6.834 9.559 1.00 0.00 C ATOM 526 O SER A 32 -14.560 7.291 10.556 1.00 0.00 O ATOM 527 CB SER A 32 -11.458 6.936 9.606 1.00 0.00 C ATOM 528 OG SER A 32 -11.455 5.519 9.647 1.00 0.00 O ATOM 0 H SER A 32 -13.323 9.153 10.149 1.00 0.00 H new ATOM 0 HA SER A 32 -12.742 7.351 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.601 7.279 9.026 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.334 7.323 10.617 1.00 0.00 H new ATOM 0 HG SER A 32 -10.588 5.203 9.978 1.00 0.00 H new ATOM 534 N VAL A 33 -14.455 5.753 8.918 1.00 0.00 N ATOM 535 CA VAL A 33 -15.568 4.931 9.426 1.00 0.00 C ATOM 536 C VAL A 33 -15.010 3.775 10.264 1.00 0.00 C ATOM 537 O VAL A 33 -14.166 3.006 9.793 1.00 0.00 O ATOM 538 CB VAL A 33 -16.486 4.378 8.309 1.00 0.00 C ATOM 539 CG1 VAL A 33 -17.888 4.198 8.889 1.00 0.00 C ATOM 540 CG2 VAL A 33 -16.613 5.276 7.070 1.00 0.00 C ATOM 0 H VAL A 33 -14.069 5.421 8.034 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.189 5.584 10.039 1.00 0.00 H new ATOM 0 HB VAL A 33 -16.026 3.447 7.977 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -18.553 3.809 8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -17.849 3.497 9.723 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -18.263 5.160 9.240 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -17.276 4.804 6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -17.024 6.242 7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.629 5.420 6.623 1.00 0.00 H new ATOM 550 N ASP A 34 -15.466 3.654 11.511 1.00 0.00 N ATOM 551 CA ASP A 34 -15.080 2.587 12.439 1.00 0.00 C ATOM 552 C ASP A 34 -15.637 1.217 12.000 1.00 0.00 C ATOM 553 O ASP A 34 -16.466 1.096 11.093 1.00 0.00 O ATOM 554 CB ASP A 34 -15.547 2.936 13.872 1.00 0.00 C ATOM 555 CG ASP A 34 -14.591 2.465 14.992 1.00 0.00 C ATOM 556 OD1 ASP A 34 -13.997 1.365 14.885 1.00 0.00 O ATOM 557 OD2 ASP A 34 -14.472 3.182 16.014 1.00 0.00 O ATOM 0 H ASP A 34 -16.132 4.312 11.916 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.993 2.510 12.429 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.670 4.016 13.947 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.528 2.492 14.039 1.00 0.00 H new ATOM 562 N ASN A 35 -15.228 0.179 12.719 1.00 0.00 N ATOM 563 CA ASN A 35 -15.656 -1.215 12.559 1.00 0.00 C ATOM 564 C ASN A 35 -17.183 -1.405 12.709 1.00 0.00 C ATOM 565 O ASN A 35 -17.762 -2.316 12.111 1.00 0.00 O ATOM 566 CB ASN A 35 -14.898 -2.072 13.591 1.00 0.00 C ATOM 567 CG ASN A 35 -13.389 -2.038 13.410 1.00 0.00 C ATOM 568 OD1 ASN A 35 -12.813 -2.835 12.678 1.00 0.00 O ATOM 569 ND2 ASN A 35 -12.695 -1.135 14.068 1.00 0.00 N ATOM 0 H ASN A 35 -14.550 0.288 13.473 1.00 0.00 H new ATOM 0 HA ASN A 35 -15.419 -1.530 11.543 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.144 -1.723 14.594 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -15.242 -3.104 13.519 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.681 -1.099 13.968 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.171 -0.470 14.678 1.00 0.00 H new ATOM 576 N ASN A 36 -17.843 -0.530 13.483 1.00 0.00 N ATOM 577 CA ASN A 36 -19.299 -0.509 13.689 1.00 0.00 C ATOM 578 C ASN A 36 -20.066 0.220 12.561 1.00 0.00 C ATOM 579 O ASN A 36 -21.299 0.198 12.538 1.00 0.00 O ATOM 580 CB ASN A 36 -19.596 0.182 15.034 1.00 0.00 C ATOM 581 CG ASN A 36 -18.794 -0.377 16.201 1.00 0.00 C ATOM 582 OD1 ASN A 36 -18.818 -1.564 16.498 1.00 0.00 O ATOM 583 ND2 ASN A 36 -18.044 0.455 16.892 1.00 0.00 N ATOM 0 H ASN A 36 -17.362 0.206 14.000 1.00 0.00 H new ATOM 0 HA ASN A 36 -19.643 -1.543 13.685 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -19.387 1.248 14.939 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -20.659 0.084 15.255 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -17.485 0.110 17.672 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -18.022 1.445 16.647 1.00 0.00 H new ATOM 590 N GLY A 37 -19.354 0.913 11.662 1.00 0.00 N ATOM 591 CA GLY A 37 -19.925 1.806 10.650 1.00 0.00 C ATOM 592 C GLY A 37 -20.262 3.217 11.162 1.00 0.00 C ATOM 593 O GLY A 37 -21.101 3.899 10.571 1.00 0.00 O ATOM 0 H GLY A 37 -18.336 0.865 11.619 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -19.222 1.892 9.821 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.832 1.351 10.252 1.00 0.00 H new ATOM 597 N ASN A 38 -19.627 3.664 12.256 1.00 0.00 N ATOM 598 CA ASN A 38 -19.747 5.032 12.788 1.00 0.00 C ATOM 599 C ASN A 38 -18.589 5.900 12.264 1.00 0.00 C ATOM 600 O ASN A 38 -17.434 5.484 12.351 1.00 0.00 O ATOM 601 CB ASN A 38 -19.699 5.002 14.334 1.00 0.00 C ATOM 602 CG ASN A 38 -20.635 4.028 15.037 1.00 0.00 C ATOM 603 OD1 ASN A 38 -20.301 3.465 16.072 1.00 0.00 O ATOM 604 ND2 ASN A 38 -21.828 3.789 14.537 1.00 0.00 N ATOM 0 H ASN A 38 -19.003 3.074 12.807 1.00 0.00 H new ATOM 0 HA ASN A 38 -20.697 5.454 12.461 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -18.678 4.769 14.637 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -19.918 6.005 14.699 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.459 3.143 15.011 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -22.122 4.250 13.676 1.00 0.00 H new ATOM 611 N ILE A 39 -18.849 7.109 11.756 1.00 0.00 N ATOM 612 CA ILE A 39 -17.788 8.062 11.406 1.00 0.00 C ATOM 613 C ILE A 39 -17.204 8.652 12.697 1.00 0.00 C ATOM 614 O ILE A 39 -17.936 9.094 13.589 1.00 0.00 O ATOM 615 CB ILE A 39 -18.289 9.174 10.461 1.00 0.00 C ATOM 616 CG1 ILE A 39 -18.953 8.574 9.200 1.00 0.00 C ATOM 617 CG2 ILE A 39 -17.104 10.075 10.058 1.00 0.00 C ATOM 618 CD1 ILE A 39 -19.572 9.636 8.287 1.00 0.00 C ATOM 0 H ILE A 39 -19.792 7.454 11.577 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.009 7.529 10.861 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.039 9.766 10.985 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -18.209 8.009 8.638 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -19.726 7.869 9.504 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.456 10.861 9.390 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.669 10.524 10.951 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.349 9.477 9.548 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.022 9.153 7.420 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -20.338 10.185 8.835 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.797 10.327 7.956 1.00 0.00 H new ATOM 630 N TYR A 40 -15.878 8.687 12.765 1.00 0.00 N ATOM 631 CA TYR A 40 -15.086 9.301 13.834 1.00 0.00 C ATOM 632 C TYR A 40 -13.847 10.020 13.262 1.00 0.00 C ATOM 633 O TYR A 40 -13.572 9.945 12.060 1.00 0.00 O ATOM 634 CB TYR A 40 -14.713 8.227 14.876 1.00 0.00 C ATOM 635 CG TYR A 40 -13.603 7.273 14.456 1.00 0.00 C ATOM 636 CD1 TYR A 40 -13.860 6.228 13.547 1.00 0.00 C ATOM 637 CD2 TYR A 40 -12.302 7.446 14.974 1.00 0.00 C ATOM 638 CE1 TYR A 40 -12.813 5.395 13.115 1.00 0.00 C ATOM 639 CE2 TYR A 40 -11.257 6.600 14.559 1.00 0.00 C ATOM 640 CZ TYR A 40 -11.510 5.585 13.613 1.00 0.00 C ATOM 641 OH TYR A 40 -10.504 4.797 13.163 1.00 0.00 O ATOM 0 H TYR A 40 -15.293 8.268 12.042 1.00 0.00 H new ATOM 0 HA TYR A 40 -15.680 10.066 14.334 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.412 8.726 15.797 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.604 7.643 15.107 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.863 6.066 13.181 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -12.108 8.230 15.691 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -13.008 4.609 12.401 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.264 6.728 14.964 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.678 5.322 13.105 1.00 0.00 H new ATOM 651 N THR A 41 -13.092 10.712 14.120 1.00 0.00 N ATOM 652 CA THR A 41 -11.871 11.454 13.743 1.00 0.00 C ATOM 653 C THR A 41 -10.634 10.956 14.490 1.00 0.00 C ATOM 654 O THR A 41 -10.704 10.574 15.663 1.00 0.00 O ATOM 655 CB THR A 41 -12.026 12.974 13.932 1.00 0.00 C ATOM 656 OG1 THR A 41 -12.634 13.300 15.169 1.00 0.00 O ATOM 657 CG2 THR A 41 -12.873 13.589 12.824 1.00 0.00 C ATOM 0 H THR A 41 -13.310 10.778 15.114 1.00 0.00 H new ATOM 0 HA THR A 41 -11.727 11.259 12.680 1.00 0.00 H new ATOM 0 HB THR A 41 -11.014 13.379 13.905 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.712 14.274 15.249 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.962 14.663 12.988 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.398 13.407 11.860 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.865 13.137 12.831 1.00 0.00 H new ATOM 665 N GLN A 42 -9.488 10.953 13.800 1.00 0.00 N ATOM 666 CA GLN A 42 -8.221 10.388 14.284 1.00 0.00 C ATOM 667 C GLN A 42 -6.993 11.164 13.763 1.00 0.00 C ATOM 668 O GLN A 42 -7.014 11.626 12.619 1.00 0.00 O ATOM 669 CB GLN A 42 -8.150 8.900 13.888 1.00 0.00 C ATOM 670 CG GLN A 42 -8.256 8.615 12.375 1.00 0.00 C ATOM 671 CD GLN A 42 -8.253 7.121 12.041 1.00 0.00 C ATOM 672 OE1 GLN A 42 -8.148 6.246 12.892 1.00 0.00 O ATOM 673 NE2 GLN A 42 -8.347 6.776 10.773 1.00 0.00 N ATOM 0 H GLN A 42 -9.413 11.354 12.865 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.197 10.480 15.370 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.209 8.488 14.254 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.952 8.366 14.399 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.171 9.065 11.990 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.424 9.097 11.862 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.435 7.494 10.054 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.332 5.791 10.510 1.00 0.00 H new ATOM 682 N PRO A 43 -5.929 11.338 14.571 1.00 0.00 N ATOM 683 CA PRO A 43 -4.727 12.065 14.161 1.00 0.00 C ATOM 684 C PRO A 43 -3.852 11.247 13.198 1.00 0.00 C ATOM 685 O PRO A 43 -3.791 10.015 13.278 1.00 0.00 O ATOM 686 CB PRO A 43 -3.982 12.365 15.467 1.00 0.00 C ATOM 687 CG PRO A 43 -4.374 11.203 16.379 1.00 0.00 C ATOM 688 CD PRO A 43 -5.812 10.905 15.959 1.00 0.00 C ATOM 0 HA PRO A 43 -4.981 12.971 13.611 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.904 12.408 15.313 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.282 13.324 15.888 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.724 10.340 16.234 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.310 11.477 17.432 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.033 9.842 16.055 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.521 11.437 16.594 1.00 0.00 H new ATOM 696 N VAL A 44 -3.133 11.938 12.306 1.00 0.00 N ATOM 697 CA VAL A 44 -2.071 11.336 11.479 1.00 0.00 C ATOM 698 C VAL A 44 -0.974 10.731 12.371 1.00 0.00 C ATOM 699 O VAL A 44 -0.551 11.344 13.357 1.00 0.00 O ATOM 700 CB VAL A 44 -1.508 12.363 10.470 1.00 0.00 C ATOM 701 CG1 VAL A 44 -0.767 13.543 11.113 1.00 0.00 C ATOM 702 CG2 VAL A 44 -0.566 11.702 9.462 1.00 0.00 C ATOM 0 H VAL A 44 -3.269 12.934 12.134 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.499 10.522 10.894 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.394 12.758 9.972 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.405 14.214 10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.447 14.084 11.771 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.078 13.170 11.692 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.189 12.454 8.769 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.270 11.245 9.991 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.107 10.935 8.907 1.00 0.00 H new ATOM 712 N ALA A 45 -0.513 9.522 12.037 1.00 0.00 N ATOM 713 CA ALA A 45 0.583 8.851 12.738 1.00 0.00 C ATOM 714 C ALA A 45 1.943 9.146 12.076 1.00 0.00 C ATOM 715 O ALA A 45 2.898 9.495 12.770 1.00 0.00 O ATOM 716 CB ALA A 45 0.301 7.342 12.775 1.00 0.00 C ATOM 0 H ALA A 45 -0.895 8.977 11.264 1.00 0.00 H new ATOM 0 HA ALA A 45 0.640 9.234 13.757 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.112 6.833 13.295 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.637 7.160 13.299 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.227 6.961 11.757 1.00 0.00 H new ATOM 722 N GLN A 46 2.019 9.029 10.743 1.00 0.00 N ATOM 723 CA GLN A 46 3.226 9.217 9.922 1.00 0.00 C ATOM 724 C GLN A 46 2.872 9.732 8.509 1.00 0.00 C ATOM 725 O GLN A 46 1.700 9.854 8.148 1.00 0.00 O ATOM 726 CB GLN A 46 4.015 7.890 9.821 1.00 0.00 C ATOM 727 CG GLN A 46 4.671 7.398 11.124 1.00 0.00 C ATOM 728 CD GLN A 46 5.678 8.378 11.735 1.00 0.00 C ATOM 729 OE1 GLN A 46 6.356 9.143 11.057 1.00 0.00 O ATOM 730 NE2 GLN A 46 5.831 8.383 13.044 1.00 0.00 N ATOM 0 H GLN A 46 1.203 8.789 10.180 1.00 0.00 H new ATOM 0 HA GLN A 46 3.848 9.969 10.408 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.339 7.114 9.462 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.793 8.009 9.067 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.889 7.196 11.856 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.176 6.452 10.928 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.276 7.754 13.625 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.504 9.016 13.476 1.00 0.00 H new ATOM 739 N TRP A 47 3.888 9.991 7.684 1.00 0.00 N ATOM 740 CA TRP A 47 3.782 10.531 6.322 1.00 0.00 C ATOM 741 C TRP A 47 4.696 9.715 5.393 1.00 0.00 C ATOM 742 O TRP A 47 5.826 9.385 5.771 1.00 0.00 O ATOM 743 CB TRP A 47 4.208 12.010 6.344 1.00 0.00 C ATOM 744 CG TRP A 47 3.411 12.923 7.227 1.00 0.00 C ATOM 745 CD1 TRP A 47 2.421 13.763 6.840 1.00 0.00 C ATOM 746 CD2 TRP A 47 3.560 13.127 8.665 1.00 0.00 C ATOM 747 NE1 TRP A 47 1.943 14.462 7.932 1.00 0.00 N ATOM 748 CE2 TRP A 47 2.614 14.109 9.087 1.00 0.00 C ATOM 749 CE3 TRP A 47 4.418 12.589 9.651 1.00 0.00 C ATOM 750 CZ2 TRP A 47 2.523 14.522 10.423 1.00 0.00 C ATOM 751 CZ3 TRP A 47 4.318 12.982 10.996 1.00 0.00 C ATOM 752 CH2 TRP A 47 3.372 13.946 11.385 1.00 0.00 C ATOM 0 H TRP A 47 4.856 9.823 7.958 1.00 0.00 H new ATOM 0 HA TRP A 47 2.758 10.463 5.956 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.251 12.060 6.655 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.161 12.394 5.325 1.00 0.00 H new ATOM 0 HD1 TRP A 47 2.059 13.870 5.828 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.191 15.150 7.891 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.164 11.862 9.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.806 15.277 10.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.971 12.541 11.735 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.297 14.244 12.420 1.00 0.00 H new ATOM 763 N HIS A 48 4.218 9.387 4.188 1.00 0.00 N ATOM 764 CA HIS A 48 4.894 8.461 3.270 1.00 0.00 C ATOM 765 C HIS A 48 4.964 9.040 1.847 1.00 0.00 C ATOM 766 O HIS A 48 3.942 9.295 1.207 1.00 0.00 O ATOM 767 CB HIS A 48 4.177 7.101 3.277 1.00 0.00 C ATOM 768 CG HIS A 48 4.038 6.468 4.643 1.00 0.00 C ATOM 769 ND1 HIS A 48 4.980 5.708 5.303 1.00 0.00 N ATOM 770 CD2 HIS A 48 2.938 6.535 5.457 1.00 0.00 C ATOM 771 CE1 HIS A 48 4.461 5.326 6.484 1.00 0.00 C ATOM 772 NE2 HIS A 48 3.213 5.809 6.625 1.00 0.00 N ATOM 0 H HIS A 48 3.343 9.759 3.818 1.00 0.00 H new ATOM 0 HA HIS A 48 5.919 8.319 3.614 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.183 7.227 2.847 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.721 6.415 2.627 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.910 5.475 4.956 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.018 7.057 5.237 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.973 4.718 7.215 1.00 0.00 H new ATOM 780 N ASP A 49 6.183 9.220 1.339 1.00 0.00 N ATOM 781 CA ASP A 49 6.480 9.859 0.052 1.00 0.00 C ATOM 782 C ASP A 49 7.143 8.861 -0.911 1.00 0.00 C ATOM 783 O ASP A 49 8.284 8.431 -0.724 1.00 0.00 O ATOM 784 CB ASP A 49 7.300 11.148 0.255 1.00 0.00 C ATOM 785 CG ASP A 49 8.640 10.964 0.998 1.00 0.00 C ATOM 786 OD1 ASP A 49 8.636 10.739 2.233 1.00 0.00 O ATOM 787 OD2 ASP A 49 9.713 11.108 0.362 1.00 0.00 O ATOM 0 H ASP A 49 7.024 8.914 1.829 1.00 0.00 H new ATOM 0 HA ASP A 49 5.545 10.164 -0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.502 11.589 -0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.691 11.863 0.808 1.00 0.00 H new ATOM 792 N ARG A 50 6.375 8.449 -1.927 1.00 0.00 N ATOM 793 CA ARG A 50 6.751 7.400 -2.894 1.00 0.00 C ATOM 794 C ARG A 50 7.673 7.903 -4.005 1.00 0.00 C ATOM 795 O ARG A 50 8.461 7.131 -4.556 1.00 0.00 O ATOM 796 CB ARG A 50 5.475 6.832 -3.509 1.00 0.00 C ATOM 797 CG ARG A 50 4.494 6.249 -2.473 1.00 0.00 C ATOM 798 CD ARG A 50 5.083 5.157 -1.567 1.00 0.00 C ATOM 799 NE ARG A 50 5.616 4.018 -2.347 1.00 0.00 N ATOM 800 CZ ARG A 50 6.074 2.868 -1.886 1.00 0.00 C ATOM 801 NH1 ARG A 50 6.139 2.597 -0.613 1.00 0.00 N ATOM 802 NH2 ARG A 50 6.478 1.964 -2.731 1.00 0.00 N ATOM 0 H ARG A 50 5.452 8.843 -2.107 1.00 0.00 H new ATOM 0 HA ARG A 50 7.309 6.636 -2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.971 7.619 -4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.742 6.052 -4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.126 7.061 -1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.633 5.838 -3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.879 5.583 -0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.314 4.799 -0.883 1.00 0.00 H new ATOM 0 HE ARG A 50 5.632 4.135 -3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.829 3.287 0.072 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.500 1.695 -0.301 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.438 2.149 -3.733 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.834 1.071 -2.391 1.00 0.00 H new ATOM 816 N GLY A 51 7.556 9.185 -4.342 1.00 0.00 N ATOM 817 CA GLY A 51 8.434 9.894 -5.278 1.00 0.00 C ATOM 818 C GLY A 51 7.952 9.872 -6.730 1.00 0.00 C ATOM 819 O GLY A 51 7.810 10.939 -7.319 1.00 0.00 O ATOM 0 H GLY A 51 6.823 9.782 -3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.530 10.930 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.429 9.452 -5.231 1.00 0.00 H new ATOM 823 N GLU A 52 7.661 8.696 -7.301 1.00 0.00 N ATOM 824 CA GLU A 52 7.266 8.511 -8.716 1.00 0.00 C ATOM 825 C GLU A 52 6.813 7.067 -8.977 1.00 0.00 C ATOM 826 O GLU A 52 7.640 6.155 -9.094 1.00 0.00 O ATOM 827 CB GLU A 52 8.412 8.777 -9.719 1.00 0.00 C ATOM 828 CG GLU A 52 8.747 10.237 -10.048 1.00 0.00 C ATOM 829 CD GLU A 52 9.573 10.332 -11.345 1.00 0.00 C ATOM 830 OE1 GLU A 52 10.733 9.850 -11.370 1.00 0.00 O ATOM 831 OE2 GLU A 52 9.079 10.899 -12.350 1.00 0.00 O ATOM 0 H GLU A 52 7.693 7.818 -6.782 1.00 0.00 H new ATOM 0 HA GLU A 52 6.465 9.234 -8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.314 8.305 -9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.165 8.271 -10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.826 10.810 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.305 10.681 -9.223 1.00 0.00 H new ATOM 838 N GLN A 53 5.503 6.850 -9.111 1.00 0.00 N ATOM 839 CA GLN A 53 4.919 5.555 -9.496 1.00 0.00 C ATOM 840 C GLN A 53 3.911 5.696 -10.653 1.00 0.00 C ATOM 841 O GLN A 53 3.544 6.802 -11.041 1.00 0.00 O ATOM 842 CB GLN A 53 4.295 4.929 -8.242 1.00 0.00 C ATOM 843 CG GLN A 53 5.370 4.784 -7.145 1.00 0.00 C ATOM 844 CD GLN A 53 4.908 4.127 -5.864 1.00 0.00 C ATOM 845 OE1 GLN A 53 5.628 3.384 -5.209 1.00 0.00 O ATOM 846 NE2 GLN A 53 3.765 4.509 -5.347 1.00 0.00 N ATOM 0 H GLN A 53 4.805 7.577 -8.954 1.00 0.00 H new ATOM 0 HA GLN A 53 5.697 4.895 -9.880 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.476 5.551 -7.882 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.873 3.953 -8.482 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.201 4.207 -7.550 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.756 5.775 -6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.148 5.128 -5.874 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.493 4.187 -4.418 1.00 0.00 H new ATOM 855 N GLU A 54 3.488 4.571 -11.234 1.00 0.00 N ATOM 856 CA GLU A 54 2.540 4.526 -12.362 1.00 0.00 C ATOM 857 C GLU A 54 1.115 4.973 -11.967 1.00 0.00 C ATOM 858 O GLU A 54 0.370 4.240 -11.312 1.00 0.00 O ATOM 859 CB GLU A 54 2.538 3.137 -13.028 1.00 0.00 C ATOM 860 CG GLU A 54 2.509 1.931 -12.071 1.00 0.00 C ATOM 861 CD GLU A 54 2.195 0.620 -12.816 1.00 0.00 C ATOM 862 OE1 GLU A 54 2.954 0.238 -13.740 1.00 0.00 O ATOM 863 OE2 GLU A 54 1.196 -0.057 -12.468 1.00 0.00 O ATOM 0 H GLU A 54 3.797 3.647 -10.932 1.00 0.00 H new ATOM 0 HA GLU A 54 2.890 5.252 -13.096 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.673 3.073 -13.688 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.425 3.056 -13.657 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.472 1.842 -11.568 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.760 2.098 -11.297 1.00 0.00 H new ATOM 870 N VAL A 55 0.727 6.185 -12.378 1.00 0.00 N ATOM 871 CA VAL A 55 -0.571 6.809 -12.066 1.00 0.00 C ATOM 872 C VAL A 55 -1.548 6.686 -13.237 1.00 0.00 C ATOM 873 O VAL A 55 -1.190 6.883 -14.402 1.00 0.00 O ATOM 874 CB VAL A 55 -0.395 8.294 -11.680 1.00 0.00 C ATOM 875 CG1 VAL A 55 -1.713 8.955 -11.258 1.00 0.00 C ATOM 876 CG2 VAL A 55 0.552 8.436 -10.487 1.00 0.00 C ATOM 0 H VAL A 55 1.323 6.780 -12.954 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.988 6.273 -11.214 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.002 8.780 -12.573 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.530 9.998 -10.998 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.425 8.906 -12.082 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.122 8.432 -10.394 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.661 9.490 -10.233 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.144 7.897 -9.632 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.527 8.022 -10.745 1.00 0.00 H new ATOM 886 N PHE A 56 -2.813 6.424 -12.911 1.00 0.00 N ATOM 887 CA PHE A 56 -3.913 6.295 -13.864 1.00 0.00 C ATOM 888 C PHE A 56 -5.043 7.272 -13.519 1.00 0.00 C ATOM 889 O PHE A 56 -5.312 7.569 -12.351 1.00 0.00 O ATOM 890 CB PHE A 56 -4.429 4.849 -13.860 1.00 0.00 C ATOM 891 CG PHE A 56 -3.479 3.811 -14.432 1.00 0.00 C ATOM 892 CD1 PHE A 56 -2.346 3.395 -13.701 1.00 0.00 C ATOM 893 CD2 PHE A 56 -3.769 3.195 -15.666 1.00 0.00 C ATOM 894 CE1 PHE A 56 -1.500 2.395 -14.213 1.00 0.00 C ATOM 895 CE2 PHE A 56 -2.936 2.174 -16.161 1.00 0.00 C ATOM 896 CZ PHE A 56 -1.797 1.780 -15.439 1.00 0.00 C ATOM 0 H PHE A 56 -3.109 6.291 -11.944 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.550 6.540 -14.862 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.668 4.570 -12.834 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.361 4.813 -14.425 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.128 3.846 -12.744 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.633 3.507 -16.234 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.620 2.100 -13.661 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.173 1.692 -17.098 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.152 1.006 -15.827 1.00 0.00 H new ATOM 906 N GLU A 57 -5.712 7.771 -14.556 1.00 0.00 N ATOM 907 CA GLU A 57 -6.909 8.601 -14.441 1.00 0.00 C ATOM 908 C GLU A 57 -8.073 7.788 -13.849 1.00 0.00 C ATOM 909 O GLU A 57 -8.417 6.721 -14.368 1.00 0.00 O ATOM 910 CB GLU A 57 -7.270 9.120 -15.847 1.00 0.00 C ATOM 911 CG GLU A 57 -8.338 10.220 -15.852 1.00 0.00 C ATOM 912 CD GLU A 57 -7.731 11.588 -15.480 1.00 0.00 C ATOM 913 OE1 GLU A 57 -7.485 11.839 -14.280 1.00 0.00 O ATOM 914 OE2 GLU A 57 -7.455 12.415 -16.382 1.00 0.00 O ATOM 0 H GLU A 57 -5.430 7.606 -15.522 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.719 9.440 -13.772 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.368 9.502 -16.324 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.621 8.284 -16.452 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.798 10.279 -16.838 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.129 9.966 -15.146 1.00 0.00 H new ATOM 921 N TYR A 58 -8.708 8.311 -12.798 1.00 0.00 N ATOM 922 CA TYR A 58 -9.882 7.746 -12.151 1.00 0.00 C ATOM 923 C TYR A 58 -11.008 8.794 -12.201 1.00 0.00 C ATOM 924 O TYR A 58 -11.230 9.574 -11.272 1.00 0.00 O ATOM 925 CB TYR A 58 -9.479 7.247 -10.750 1.00 0.00 C ATOM 926 CG TYR A 58 -10.590 6.847 -9.802 1.00 0.00 C ATOM 927 CD1 TYR A 58 -11.827 6.399 -10.295 1.00 0.00 C ATOM 928 CD2 TYR A 58 -10.352 6.862 -8.410 1.00 0.00 C ATOM 929 CE1 TYR A 58 -12.817 5.961 -9.404 1.00 0.00 C ATOM 930 CE2 TYR A 58 -11.359 6.459 -7.512 1.00 0.00 C ATOM 931 CZ TYR A 58 -12.600 6.015 -8.017 1.00 0.00 C ATOM 932 OH TYR A 58 -13.600 5.635 -7.187 1.00 0.00 O ATOM 0 H TYR A 58 -8.400 9.179 -12.359 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.279 6.868 -12.660 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.819 6.388 -10.876 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.893 8.031 -10.270 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.015 6.392 -11.358 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.393 7.184 -8.032 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.752 5.580 -9.786 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.183 6.489 -6.447 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.148 4.952 -7.627 1.00 0.00 H new ATOM 942 N CYS A 59 -11.684 8.849 -13.353 1.00 0.00 N ATOM 943 CA CYS A 59 -12.862 9.686 -13.569 1.00 0.00 C ATOM 944 C CYS A 59 -14.138 8.939 -13.159 1.00 0.00 C ATOM 945 O CYS A 59 -14.290 7.745 -13.442 1.00 0.00 O ATOM 946 CB CYS A 59 -12.916 10.074 -15.052 1.00 0.00 C ATOM 947 SG CYS A 59 -14.206 11.323 -15.348 1.00 0.00 S ATOM 0 H CYS A 59 -11.421 8.303 -14.173 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.795 10.584 -12.955 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.948 10.464 -15.366 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.115 9.189 -15.657 1.00 0.00 H new ATOM 0 HG CYS A 59 -15.306 10.959 -14.759 1.00 0.00 H new ATOM 953 N LEU A 60 -15.088 9.653 -12.554 1.00 0.00 N ATOM 954 CA LEU A 60 -16.391 9.114 -12.140 1.00 0.00 C ATOM 955 C LEU A 60 -17.545 9.555 -13.048 1.00 0.00 C ATOM 956 O LEU A 60 -17.428 10.500 -13.830 1.00 0.00 O ATOM 957 CB LEU A 60 -16.659 9.523 -10.681 1.00 0.00 C ATOM 958 CG LEU A 60 -16.800 8.346 -9.706 1.00 0.00 C ATOM 959 CD1 LEU A 60 -15.581 7.441 -9.643 1.00 0.00 C ATOM 960 CD2 LEU A 60 -17.033 8.864 -8.296 1.00 0.00 C ATOM 0 H LEU A 60 -14.974 10.642 -12.332 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.344 8.029 -12.228 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.846 10.164 -10.341 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.571 10.119 -10.646 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.641 7.765 -10.085 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.762 6.635 -8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.390 7.018 -10.629 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.715 8.020 -9.323 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.132 8.022 -7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.189 9.482 -7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.946 9.459 -8.273 1.00 0.00 H new ATOM 972 N GLU A 61 -18.685 8.872 -12.909 1.00 0.00 N ATOM 973 CA GLU A 61 -19.895 9.109 -13.720 1.00 0.00 C ATOM 974 C GLU A 61 -20.570 10.472 -13.442 1.00 0.00 C ATOM 975 O GLU A 61 -21.308 10.985 -14.287 1.00 0.00 O ATOM 976 CB GLU A 61 -20.889 7.957 -13.477 1.00 0.00 C ATOM 977 CG GLU A 61 -20.422 6.571 -13.957 1.00 0.00 C ATOM 978 CD GLU A 61 -20.518 6.347 -15.485 1.00 0.00 C ATOM 979 OE1 GLU A 61 -20.662 7.315 -16.270 1.00 0.00 O ATOM 980 OE2 GLU A 61 -20.460 5.168 -15.914 1.00 0.00 O ATOM 0 H GLU A 61 -18.801 8.127 -12.222 1.00 0.00 H new ATOM 0 HA GLU A 61 -19.587 9.140 -14.765 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -21.100 7.901 -12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -21.828 8.198 -13.975 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -19.387 6.424 -13.647 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -21.017 5.808 -13.454 1.00 0.00 H new ATOM 987 N ASP A 62 -20.303 11.086 -12.282 1.00 0.00 N ATOM 988 CA ASP A 62 -20.761 12.440 -11.924 1.00 0.00 C ATOM 989 C ASP A 62 -19.886 13.553 -12.537 1.00 0.00 C ATOM 990 O ASP A 62 -20.375 14.661 -12.785 1.00 0.00 O ATOM 991 CB ASP A 62 -20.767 12.571 -10.393 1.00 0.00 C ATOM 992 CG ASP A 62 -21.273 13.944 -9.918 1.00 0.00 C ATOM 993 OD1 ASP A 62 -22.487 14.227 -10.067 1.00 0.00 O ATOM 994 OD2 ASP A 62 -20.467 14.732 -9.367 1.00 0.00 O ATOM 0 H ASP A 62 -19.749 10.646 -11.547 1.00 0.00 H new ATOM 0 HA ASP A 62 -21.763 12.569 -12.332 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.396 11.789 -9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -19.758 12.409 -10.014 1.00 0.00 H new ATOM 999 N GLY A 63 -18.601 13.267 -12.787 1.00 0.00 N ATOM 1000 CA GLY A 63 -17.619 14.214 -13.336 1.00 0.00 C ATOM 1001 C GLY A 63 -16.436 14.512 -12.404 1.00 0.00 C ATOM 1002 O GLY A 63 -15.520 15.240 -12.801 1.00 0.00 O ATOM 0 H GLY A 63 -18.204 12.345 -12.608 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.235 13.816 -14.275 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.126 15.150 -13.570 1.00 0.00 H new ATOM 1006 N SER A 64 -16.429 13.970 -11.180 1.00 0.00 N ATOM 1007 CA SER A 64 -15.270 14.001 -10.277 1.00 0.00 C ATOM 1008 C SER A 64 -14.055 13.288 -10.892 1.00 0.00 C ATOM 1009 O SER A 64 -14.188 12.323 -11.652 1.00 0.00 O ATOM 1010 CB SER A 64 -15.629 13.411 -8.900 1.00 0.00 C ATOM 1011 OG SER A 64 -16.579 12.360 -8.988 1.00 0.00 O ATOM 0 H SER A 64 -17.238 13.491 -10.783 1.00 0.00 H new ATOM 0 HA SER A 64 -14.992 15.045 -10.132 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.724 13.038 -8.421 1.00 0.00 H new ATOM 0 HB3 SER A 64 -16.025 14.201 -8.262 1.00 0.00 H new ATOM 0 HG SER A 64 -16.773 12.018 -8.090 1.00 0.00 H new ATOM 1017 N LEU A 65 -12.858 13.773 -10.551 1.00 0.00 N ATOM 1018 CA LEU A 65 -11.575 13.340 -11.114 1.00 0.00 C ATOM 1019 C LEU A 65 -10.560 13.098 -9.989 1.00 0.00 C ATOM 1020 O LEU A 65 -10.341 13.954 -9.127 1.00 0.00 O ATOM 1021 CB LEU A 65 -11.050 14.417 -12.082 1.00 0.00 C ATOM 1022 CG LEU A 65 -11.717 14.460 -13.468 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -11.326 15.754 -14.189 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -11.260 13.289 -14.342 1.00 0.00 C ATOM 0 H LEU A 65 -12.751 14.505 -9.849 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.717 12.407 -11.659 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.173 15.392 -11.611 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.980 14.263 -12.220 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.795 14.403 -13.314 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.800 15.781 -15.170 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.656 16.611 -13.602 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.243 15.791 -14.308 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.749 13.348 -15.314 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.179 13.335 -14.476 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.526 12.349 -13.859 1.00 0.00 H new ATOM 1036 N ILE A 66 -9.946 11.917 -10.015 1.00 0.00 N ATOM 1037 CA ILE A 66 -9.008 11.394 -9.014 1.00 0.00 C ATOM 1038 C ILE A 66 -7.822 10.775 -9.774 1.00 0.00 C ATOM 1039 O ILE A 66 -7.983 10.289 -10.898 1.00 0.00 O ATOM 1040 CB ILE A 66 -9.723 10.358 -8.098 1.00 0.00 C ATOM 1041 CG1 ILE A 66 -11.012 10.917 -7.441 1.00 0.00 C ATOM 1042 CG2 ILE A 66 -8.763 9.838 -7.010 1.00 0.00 C ATOM 1043 CD1 ILE A 66 -11.949 9.861 -6.830 1.00 0.00 C ATOM 0 H ILE A 66 -10.096 11.258 -10.779 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.644 12.186 -8.360 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.023 9.534 -8.745 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -10.726 11.621 -6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.567 11.481 -8.191 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.283 9.115 -6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.905 9.358 -7.481 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.421 10.672 -6.397 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.819 10.354 -6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.273 9.169 -7.607 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.419 9.311 -6.052 1.00 0.00 H new ATOM 1055 N ARG A 67 -6.620 10.799 -9.186 1.00 0.00 N ATOM 1056 CA ARG A 67 -5.387 10.274 -9.799 1.00 0.00 C ATOM 1057 C ARG A 67 -4.579 9.488 -8.765 1.00 0.00 C ATOM 1058 O ARG A 67 -4.082 10.058 -7.792 1.00 0.00 O ATOM 1059 CB ARG A 67 -4.600 11.436 -10.437 1.00 0.00 C ATOM 1060 CG ARG A 67 -5.320 11.943 -11.697 1.00 0.00 C ATOM 1061 CD ARG A 67 -4.548 13.046 -12.420 1.00 0.00 C ATOM 1062 NE ARG A 67 -5.143 13.302 -13.743 1.00 0.00 N ATOM 1063 CZ ARG A 67 -4.665 14.075 -14.697 1.00 0.00 C ATOM 1064 NH1 ARG A 67 -3.589 14.795 -14.532 1.00 0.00 N ATOM 1065 NH2 ARG A 67 -5.268 14.129 -15.849 1.00 0.00 N ATOM 0 H ARG A 67 -6.471 11.189 -8.256 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.625 9.572 -10.598 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.494 12.249 -9.719 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.594 11.104 -10.694 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.477 11.108 -12.380 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.305 12.318 -11.420 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.561 13.959 -11.825 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.504 12.754 -12.533 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.024 12.828 -13.943 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.090 14.770 -13.643 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.247 15.382 -15.292 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.108 13.574 -16.011 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.900 14.726 -16.590 1.00 0.00 H new ATOM 1079 N ALA A 68 -4.489 8.174 -8.967 1.00 0.00 N ATOM 1080 CA ALA A 68 -3.900 7.210 -8.030 1.00 0.00 C ATOM 1081 C ALA A 68 -3.182 6.063 -8.765 1.00 0.00 C ATOM 1082 O ALA A 68 -3.307 5.904 -9.984 1.00 0.00 O ATOM 1083 CB ALA A 68 -5.022 6.668 -7.127 1.00 0.00 C ATOM 0 H ALA A 68 -4.836 7.732 -9.818 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.143 7.712 -7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.606 5.949 -6.422 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.478 7.492 -6.578 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.778 6.179 -7.741 1.00 0.00 H new ATOM 1089 N THR A 69 -2.429 5.251 -8.019 1.00 0.00 N ATOM 1090 CA THR A 69 -1.778 4.035 -8.541 1.00 0.00 C ATOM 1091 C THR A 69 -2.683 2.802 -8.476 1.00 0.00 C ATOM 1092 O THR A 69 -3.639 2.741 -7.698 1.00 0.00 O ATOM 1093 CB THR A 69 -0.480 3.714 -7.790 1.00 0.00 C ATOM 1094 OG1 THR A 69 -0.706 3.490 -6.421 1.00 0.00 O ATOM 1095 CG2 THR A 69 0.544 4.833 -7.885 1.00 0.00 C ATOM 0 H THR A 69 -2.249 5.415 -7.028 1.00 0.00 H new ATOM 0 HA THR A 69 -1.559 4.259 -9.585 1.00 0.00 H new ATOM 0 HB THR A 69 -0.098 2.814 -8.273 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.727 2.526 -6.246 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.442 4.552 -7.336 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.798 5.006 -8.931 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.127 5.745 -7.457 1.00 0.00 H new ATOM 1103 N LYS A 70 -2.330 1.764 -9.251 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.025 0.457 -9.233 1.00 0.00 C ATOM 1105 C LYS A 70 -2.755 -0.402 -7.990 1.00 0.00 C ATOM 1106 O LYS A 70 -3.414 -1.420 -7.807 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.691 -0.361 -10.492 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.177 0.225 -11.824 1.00 0.00 C ATOM 1109 CD LYS A 70 -4.578 0.858 -11.809 1.00 0.00 C ATOM 1110 CE LYS A 70 -5.046 1.182 -13.233 1.00 0.00 C ATOM 1111 NZ LYS A 70 -5.622 0.004 -13.938 1.00 0.00 N ATOM 0 H LYS A 70 -1.553 1.803 -9.911 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.084 0.713 -9.207 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.609 -0.483 -10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.119 -1.357 -10.378 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.462 0.981 -12.149 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.166 -0.567 -12.573 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.285 0.176 -11.336 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.564 1.769 -11.210 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.793 1.975 -13.193 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.203 1.566 -13.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.366 0.043 -14.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.245 -0.870 -13.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.658 0.015 -13.843 1.00 0.00 H new ATOM 1125 N ASP A 71 -1.822 -0.004 -7.125 1.00 0.00 N ATOM 1126 CA ASP A 71 -1.558 -0.684 -5.848 1.00 0.00 C ATOM 1127 C ASP A 71 -2.391 -0.099 -4.700 1.00 0.00 C ATOM 1128 O ASP A 71 -2.410 -0.659 -3.599 1.00 0.00 O ATOM 1129 CB ASP A 71 -0.059 -0.607 -5.517 1.00 0.00 C ATOM 1130 CG ASP A 71 0.771 -1.551 -6.398 1.00 0.00 C ATOM 1131 OD1 ASP A 71 0.713 -2.787 -6.180 1.00 0.00 O ATOM 1132 OD2 ASP A 71 1.500 -1.066 -7.295 1.00 0.00 O ATOM 0 H ASP A 71 -1.222 0.804 -7.288 1.00 0.00 H new ATOM 0 HA ASP A 71 -1.853 -1.727 -5.959 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.290 0.417 -5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.095 -0.860 -4.468 1.00 0.00 H new ATOM 1137 N HIS A 72 -3.082 1.025 -4.932 1.00 0.00 N ATOM 1138 CA HIS A 72 -3.924 1.636 -3.917 1.00 0.00 C ATOM 1139 C HIS A 72 -5.293 0.946 -3.883 1.00 0.00 C ATOM 1140 O HIS A 72 -5.927 0.746 -4.927 1.00 0.00 O ATOM 1141 CB HIS A 72 -4.093 3.135 -4.205 1.00 0.00 C ATOM 1142 CG HIS A 72 -4.471 3.899 -2.958 1.00 0.00 C ATOM 1143 ND1 HIS A 72 -5.535 3.669 -2.111 1.00 0.00 N ATOM 1144 CD2 HIS A 72 -3.681 4.823 -2.336 1.00 0.00 C ATOM 1145 CE1 HIS A 72 -5.351 4.401 -1.001 1.00 0.00 C ATOM 1146 NE2 HIS A 72 -4.242 5.135 -1.098 1.00 0.00 N ATOM 0 H HIS A 72 -3.068 1.525 -5.821 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.447 1.517 -2.944 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.164 3.536 -4.611 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.860 3.276 -4.966 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -6.324 3.050 -2.296 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.771 5.243 -2.737 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.011 4.396 -0.146 1.00 0.00 H new ATOM 1154 N LYS A 73 -5.765 0.604 -2.681 1.00 0.00 N ATOM 1155 CA LYS A 73 -7.071 -0.036 -2.462 1.00 0.00 C ATOM 1156 C LYS A 73 -8.127 1.016 -2.129 1.00 0.00 C ATOM 1157 O LYS A 73 -7.805 2.064 -1.569 1.00 0.00 O ATOM 1158 CB LYS A 73 -6.932 -1.103 -1.360 1.00 0.00 C ATOM 1159 CG LYS A 73 -5.987 -2.226 -1.822 1.00 0.00 C ATOM 1160 CD LYS A 73 -5.544 -3.146 -0.682 1.00 0.00 C ATOM 1161 CE LYS A 73 -4.466 -4.081 -1.243 1.00 0.00 C ATOM 1162 NZ LYS A 73 -3.972 -5.044 -0.220 1.00 0.00 N ATOM 0 H LYS A 73 -5.245 0.765 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.404 -0.536 -3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.547 -0.646 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.911 -1.518 -1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.486 -2.820 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.106 -1.783 -2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.151 -2.563 0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.389 -3.719 -0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.870 -4.631 -2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.631 -3.488 -1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.245 -5.656 -0.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.562 -4.521 0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.763 -5.628 0.117 1.00 0.00 H new ATOM 1176 N PHE A 74 -9.387 0.748 -2.450 1.00 0.00 N ATOM 1177 CA PHE A 74 -10.496 1.668 -2.176 1.00 0.00 C ATOM 1178 C PHE A 74 -11.715 0.903 -1.655 1.00 0.00 C ATOM 1179 O PHE A 74 -12.062 -0.156 -2.182 1.00 0.00 O ATOM 1180 CB PHE A 74 -10.848 2.475 -3.432 1.00 0.00 C ATOM 1181 CG PHE A 74 -9.822 3.509 -3.871 1.00 0.00 C ATOM 1182 CD1 PHE A 74 -8.736 3.146 -4.696 1.00 0.00 C ATOM 1183 CD2 PHE A 74 -9.986 4.856 -3.489 1.00 0.00 C ATOM 1184 CE1 PHE A 74 -7.826 4.126 -5.133 1.00 0.00 C ATOM 1185 CE2 PHE A 74 -9.072 5.832 -3.924 1.00 0.00 C ATOM 1186 CZ PHE A 74 -7.991 5.468 -4.746 1.00 0.00 C ATOM 0 H PHE A 74 -9.675 -0.116 -2.910 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.182 2.368 -1.401 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.007 1.778 -4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.796 2.984 -3.258 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.603 2.116 -4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.817 5.139 -2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.998 3.847 -5.768 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.200 6.862 -3.626 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.289 6.218 -5.080 1.00 0.00 H new ATOM 1196 N MET A 75 -12.344 1.431 -0.600 1.00 0.00 N ATOM 1197 CA MET A 75 -13.446 0.766 0.099 1.00 0.00 C ATOM 1198 C MET A 75 -14.739 0.809 -0.733 1.00 0.00 C ATOM 1199 O MET A 75 -15.408 1.842 -0.839 1.00 0.00 O ATOM 1200 CB MET A 75 -13.627 1.366 1.502 1.00 0.00 C ATOM 1201 CG MET A 75 -14.591 0.493 2.318 1.00 0.00 C ATOM 1202 SD MET A 75 -14.737 0.840 4.096 1.00 0.00 S ATOM 1203 CE MET A 75 -15.378 2.536 4.087 1.00 0.00 C ATOM 0 H MET A 75 -12.100 2.339 -0.205 1.00 0.00 H new ATOM 0 HA MET A 75 -13.197 -0.288 0.226 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.663 1.431 2.007 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.016 2.381 1.426 1.00 0.00 H new ATOM 0 HG2 MET A 75 -15.583 0.583 1.875 1.00 0.00 H new ATOM 0 HG3 MET A 75 -14.283 -0.546 2.202 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.671 3.195 4.590 1.00 0.00 H new ATOM 0 HE2 MET A 75 -15.514 2.868 3.058 1.00 0.00 H new ATOM 0 HE3 MET A 75 -16.335 2.566 4.608 1.00 0.00 H new ATOM 1213 N THR A 76 -15.082 -0.327 -1.344 1.00 0.00 N ATOM 1214 CA THR A 76 -16.307 -0.498 -2.144 1.00 0.00 C ATOM 1215 C THR A 76 -17.573 -0.396 -1.290 1.00 0.00 C ATOM 1216 O THR A 76 -17.513 -0.391 -0.059 1.00 0.00 O ATOM 1217 CB THR A 76 -16.316 -1.840 -2.890 1.00 0.00 C ATOM 1218 OG1 THR A 76 -16.337 -2.909 -1.971 1.00 0.00 O ATOM 1219 CG2 THR A 76 -15.098 -1.985 -3.794 1.00 0.00 C ATOM 0 H THR A 76 -14.510 -1.170 -1.299 1.00 0.00 H new ATOM 0 HA THR A 76 -16.305 0.316 -2.869 1.00 0.00 H new ATOM 0 HB THR A 76 -17.213 -1.863 -3.508 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.344 -3.759 -2.458 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.137 -2.946 -4.306 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.094 -1.181 -4.530 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.190 -1.931 -3.193 1.00 0.00 H new ATOM 1227 N VAL A 77 -18.740 -0.368 -1.939 1.00 0.00 N ATOM 1228 CA VAL A 77 -20.052 -0.349 -1.266 1.00 0.00 C ATOM 1229 C VAL A 77 -20.315 -1.525 -0.306 1.00 0.00 C ATOM 1230 O VAL A 77 -21.121 -1.391 0.615 1.00 0.00 O ATOM 1231 CB VAL A 77 -21.216 -0.234 -2.269 1.00 0.00 C ATOM 1232 CG1 VAL A 77 -21.221 1.139 -2.945 1.00 0.00 C ATOM 1233 CG2 VAL A 77 -21.198 -1.346 -3.327 1.00 0.00 C ATOM 0 H VAL A 77 -18.807 -0.358 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 77 -20.005 0.547 -0.647 1.00 0.00 H new ATOM 0 HB VAL A 77 -22.134 -0.352 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -22.052 1.195 -3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -21.332 1.916 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -20.282 1.285 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -22.040 -1.215 -4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -20.266 -1.297 -3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -21.275 -2.316 -2.836 1.00 0.00 H new ATOM 1243 N ASP A 78 -19.625 -2.660 -0.482 1.00 0.00 N ATOM 1244 CA ASP A 78 -19.688 -3.819 0.429 1.00 0.00 C ATOM 1245 C ASP A 78 -18.588 -3.802 1.511 1.00 0.00 C ATOM 1246 O ASP A 78 -18.597 -4.640 2.420 1.00 0.00 O ATOM 1247 CB ASP A 78 -19.600 -5.115 -0.389 1.00 0.00 C ATOM 1248 CG ASP A 78 -20.840 -5.340 -1.267 1.00 0.00 C ATOM 1249 OD1 ASP A 78 -21.956 -5.509 -0.714 1.00 0.00 O ATOM 1250 OD2 ASP A 78 -20.700 -5.382 -2.512 1.00 0.00 O ATOM 0 H ASP A 78 -18.997 -2.804 -1.272 1.00 0.00 H new ATOM 0 HA ASP A 78 -20.641 -3.763 0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -18.712 -5.083 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -19.479 -5.961 0.288 1.00 0.00 H new ATOM 1255 N GLY A 79 -17.639 -2.859 1.434 1.00 0.00 N ATOM 1256 CA GLY A 79 -16.555 -2.696 2.407 1.00 0.00 C ATOM 1257 C GLY A 79 -15.295 -3.509 2.078 1.00 0.00 C ATOM 1258 O GLY A 79 -14.563 -3.894 2.992 1.00 0.00 O ATOM 0 H GLY A 79 -17.605 -2.175 0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.289 -1.641 2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.917 -2.989 3.392 1.00 0.00 H new ATOM 1262 N GLN A 80 -15.050 -3.816 0.798 1.00 0.00 N ATOM 1263 CA GLN A 80 -13.906 -4.626 0.355 1.00 0.00 C ATOM 1264 C GLN A 80 -12.660 -3.760 0.096 1.00 0.00 C ATOM 1265 O GLN A 80 -12.762 -2.663 -0.455 1.00 0.00 O ATOM 1266 CB GLN A 80 -14.274 -5.402 -0.922 1.00 0.00 C ATOM 1267 CG GLN A 80 -15.507 -6.308 -0.754 1.00 0.00 C ATOM 1268 CD GLN A 80 -15.778 -7.145 -2.005 1.00 0.00 C ATOM 1269 OE1 GLN A 80 -14.990 -7.996 -2.398 1.00 0.00 O ATOM 1270 NE2 GLN A 80 -16.895 -6.951 -2.678 1.00 0.00 N ATOM 0 H GLN A 80 -15.647 -3.506 0.031 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.667 -5.326 1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.461 -4.692 -1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -13.423 -6.012 -1.225 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.357 -6.970 0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -16.380 -5.694 -0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.563 -6.246 -2.365 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -17.091 -7.505 -3.511 1.00 0.00 H new ATOM 1279 N MET A 81 -11.479 -4.280 0.451 1.00 0.00 N ATOM 1280 CA MET A 81 -10.161 -3.664 0.217 1.00 0.00 C ATOM 1281 C MET A 81 -9.501 -4.239 -1.050 1.00 0.00 C ATOM 1282 O MET A 81 -8.609 -5.087 -0.968 1.00 0.00 O ATOM 1283 CB MET A 81 -9.249 -3.851 1.448 1.00 0.00 C ATOM 1284 CG MET A 81 -9.854 -3.331 2.754 1.00 0.00 C ATOM 1285 SD MET A 81 -10.320 -1.580 2.745 1.00 0.00 S ATOM 1286 CE MET A 81 -11.916 -1.746 3.575 1.00 0.00 C ATOM 0 H MET A 81 -11.409 -5.178 0.929 1.00 0.00 H new ATOM 0 HA MET A 81 -10.307 -2.595 0.060 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.021 -4.911 1.561 1.00 0.00 H new ATOM 0 HB3 MET A 81 -8.303 -3.339 1.268 1.00 0.00 H new ATOM 0 HG2 MET A 81 -10.738 -3.924 2.988 1.00 0.00 H new ATOM 0 HG3 MET A 81 -9.137 -3.496 3.559 1.00 0.00 H new ATOM 0 HE1 MET A 81 -12.247 -0.769 3.926 1.00 0.00 H new ATOM 0 HE2 MET A 81 -12.649 -2.148 2.876 1.00 0.00 H new ATOM 0 HE3 MET A 81 -11.816 -2.421 4.425 1.00 0.00 H new ATOM 1296 N LEU A 82 -9.944 -3.794 -2.232 1.00 0.00 N ATOM 1297 CA LEU A 82 -9.418 -4.251 -3.531 1.00 0.00 C ATOM 1298 C LEU A 82 -8.739 -3.102 -4.299 1.00 0.00 C ATOM 1299 O LEU A 82 -9.160 -1.948 -4.165 1.00 0.00 O ATOM 1300 CB LEU A 82 -10.544 -4.874 -4.381 1.00 0.00 C ATOM 1301 CG LEU A 82 -11.286 -6.052 -3.720 1.00 0.00 C ATOM 1302 CD1 LEU A 82 -12.423 -6.518 -4.626 1.00 0.00 C ATOM 1303 CD2 LEU A 82 -10.365 -7.245 -3.452 1.00 0.00 C ATOM 0 H LEU A 82 -10.686 -3.099 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.664 -5.013 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.269 -4.097 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.119 -5.216 -5.325 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.667 -5.691 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.945 -7.351 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -13.121 -5.696 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.016 -6.840 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.936 -8.048 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.944 -7.598 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.558 -6.939 -2.786 1.00 0.00 H new ATOM 1315 N PRO A 83 -7.696 -3.394 -5.105 1.00 0.00 N ATOM 1316 CA PRO A 83 -7.000 -2.395 -5.915 1.00 0.00 C ATOM 1317 C PRO A 83 -7.893 -1.845 -7.028 1.00 0.00 C ATOM 1318 O PRO A 83 -8.718 -2.572 -7.586 1.00 0.00 O ATOM 1319 CB PRO A 83 -5.787 -3.122 -6.504 1.00 0.00 C ATOM 1320 CG PRO A 83 -6.243 -4.578 -6.563 1.00 0.00 C ATOM 1321 CD PRO A 83 -7.105 -4.711 -5.314 1.00 0.00 C ATOM 0 HA PRO A 83 -6.711 -1.534 -5.313 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.531 -2.741 -7.492 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.903 -3.003 -5.877 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.810 -4.788 -7.470 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.399 -5.267 -6.548 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.876 -5.470 -5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.506 -5.013 -4.455 1.00 0.00 H new ATOM 1329 N ILE A 84 -7.702 -0.578 -7.411 1.00 0.00 N ATOM 1330 CA ILE A 84 -8.541 0.064 -8.440 1.00 0.00 C ATOM 1331 C ILE A 84 -8.501 -0.637 -9.815 1.00 0.00 C ATOM 1332 O ILE A 84 -9.504 -0.651 -10.531 1.00 0.00 O ATOM 1333 CB ILE A 84 -8.248 1.575 -8.514 1.00 0.00 C ATOM 1334 CG1 ILE A 84 -9.336 2.247 -9.369 1.00 0.00 C ATOM 1335 CG2 ILE A 84 -6.837 1.866 -9.037 1.00 0.00 C ATOM 1336 CD1 ILE A 84 -9.373 3.766 -9.250 1.00 0.00 C ATOM 0 H ILE A 84 -6.976 0.026 -7.027 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.577 -0.056 -8.122 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.275 1.994 -7.508 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.179 1.979 -10.414 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.308 1.847 -9.080 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.677 2.944 -9.071 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.102 1.411 -8.373 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.727 1.451 -10.039 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.167 4.161 -9.883 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.563 4.045 -8.214 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.416 4.179 -9.568 1.00 0.00 H new ATOM 1348 N ASP A 85 -7.389 -1.301 -10.152 1.00 0.00 N ATOM 1349 CA ASP A 85 -7.266 -2.188 -11.319 1.00 0.00 C ATOM 1350 C ASP A 85 -8.333 -3.292 -11.378 1.00 0.00 C ATOM 1351 O ASP A 85 -8.752 -3.692 -12.468 1.00 0.00 O ATOM 1352 CB ASP A 85 -5.870 -2.828 -11.307 1.00 0.00 C ATOM 1353 CG ASP A 85 -5.524 -3.487 -12.650 1.00 0.00 C ATOM 1354 OD1 ASP A 85 -5.325 -2.740 -13.639 1.00 0.00 O ATOM 1355 OD2 ASP A 85 -5.409 -4.735 -12.712 1.00 0.00 O ATOM 0 H ASP A 85 -6.528 -1.236 -9.609 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.418 -1.570 -12.204 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.125 -2.067 -11.075 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.821 -3.575 -10.514 1.00 0.00 H new ATOM 1360 N GLU A 86 -8.807 -3.757 -10.217 1.00 0.00 N ATOM 1361 CA GLU A 86 -9.868 -4.763 -10.123 1.00 0.00 C ATOM 1362 C GLU A 86 -11.258 -4.111 -10.026 1.00 0.00 C ATOM 1363 O GLU A 86 -12.218 -4.651 -10.576 1.00 0.00 O ATOM 1364 CB GLU A 86 -9.573 -5.705 -8.943 1.00 0.00 C ATOM 1365 CG GLU A 86 -10.429 -6.981 -9.002 1.00 0.00 C ATOM 1366 CD GLU A 86 -9.921 -8.090 -8.057 1.00 0.00 C ATOM 1367 OE1 GLU A 86 -8.718 -8.448 -8.107 1.00 0.00 O ATOM 1368 OE2 GLU A 86 -10.735 -8.654 -7.286 1.00 0.00 O ATOM 0 H GLU A 86 -8.462 -3.443 -9.310 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.883 -5.357 -11.037 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.517 -5.975 -8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.763 -5.183 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.459 -6.734 -8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.439 -7.359 -10.024 1.00 0.00 H new ATOM 1375 N ILE A 87 -11.377 -2.919 -9.425 1.00 0.00 N ATOM 1376 CA ILE A 87 -12.649 -2.186 -9.327 1.00 0.00 C ATOM 1377 C ILE A 87 -13.206 -1.852 -10.721 1.00 0.00 C ATOM 1378 O ILE A 87 -14.411 -1.981 -10.949 1.00 0.00 O ATOM 1379 CB ILE A 87 -12.468 -0.918 -8.459 1.00 0.00 C ATOM 1380 CG1 ILE A 87 -11.999 -1.332 -7.044 1.00 0.00 C ATOM 1381 CG2 ILE A 87 -13.780 -0.126 -8.381 1.00 0.00 C ATOM 1382 CD1 ILE A 87 -11.750 -0.173 -6.079 1.00 0.00 C ATOM 0 H ILE A 87 -10.592 -2.434 -8.991 1.00 0.00 H new ATOM 0 HA ILE A 87 -13.384 -2.825 -8.838 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.715 -0.275 -8.914 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.749 -1.993 -6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.080 -1.911 -7.137 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -13.633 0.762 -7.766 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.085 0.173 -9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -14.556 -0.750 -7.937 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.425 -0.565 -5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.976 0.479 -6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.671 0.395 -5.948 1.00 0.00 H new ATOM 1394 N PHE A 88 -12.336 -1.489 -11.670 1.00 0.00 N ATOM 1395 CA PHE A 88 -12.734 -1.215 -13.059 1.00 0.00 C ATOM 1396 C PHE A 88 -13.300 -2.449 -13.785 1.00 0.00 C ATOM 1397 O PHE A 88 -14.263 -2.335 -14.545 1.00 0.00 O ATOM 1398 CB PHE A 88 -11.535 -0.642 -13.830 1.00 0.00 C ATOM 1399 CG PHE A 88 -11.866 -0.234 -15.256 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -12.465 1.013 -15.534 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -11.599 -1.128 -16.312 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -12.757 1.375 -16.863 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -11.901 -0.769 -17.639 1.00 0.00 C ATOM 1404 CZ PHE A 88 -12.470 0.486 -17.915 1.00 0.00 C ATOM 0 H PHE A 88 -11.337 -1.376 -11.499 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.544 -0.486 -13.025 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.150 0.225 -13.293 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.738 -1.385 -13.850 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.700 1.691 -14.726 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.161 -2.093 -16.102 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.202 2.336 -17.075 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.695 -1.458 -18.445 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.687 0.768 -18.935 1.00 0.00 H new ATOM 1414 N GLU A 89 -12.733 -3.636 -13.540 1.00 0.00 N ATOM 1415 CA GLU A 89 -13.173 -4.885 -14.177 1.00 0.00 C ATOM 1416 C GLU A 89 -14.438 -5.457 -13.535 1.00 0.00 C ATOM 1417 O GLU A 89 -15.296 -6.001 -14.236 1.00 0.00 O ATOM 1418 CB GLU A 89 -12.062 -5.949 -14.100 1.00 0.00 C ATOM 1419 CG GLU A 89 -11.016 -5.754 -15.206 1.00 0.00 C ATOM 1420 CD GLU A 89 -10.174 -7.029 -15.402 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -10.576 -7.900 -16.213 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -9.109 -7.177 -14.755 1.00 0.00 O ATOM 0 H GLU A 89 -11.954 -3.759 -12.893 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.396 -4.638 -15.215 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.576 -5.899 -13.126 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.502 -6.942 -14.186 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.514 -5.496 -16.141 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.364 -4.919 -14.951 1.00 0.00 H new ATOM 1429 N ARG A 90 -14.554 -5.349 -12.205 1.00 0.00 N ATOM 1430 CA ARG A 90 -15.723 -5.816 -11.446 1.00 0.00 C ATOM 1431 C ARG A 90 -16.880 -4.809 -11.450 1.00 0.00 C ATOM 1432 O ARG A 90 -17.981 -5.165 -11.027 1.00 0.00 O ATOM 1433 CB ARG A 90 -15.294 -6.201 -10.018 1.00 0.00 C ATOM 1434 CG ARG A 90 -14.199 -7.284 -9.927 1.00 0.00 C ATOM 1435 CD ARG A 90 -14.523 -8.620 -10.615 1.00 0.00 C ATOM 1436 NE ARG A 90 -14.280 -8.601 -12.073 1.00 0.00 N ATOM 1437 CZ ARG A 90 -14.713 -9.491 -12.953 1.00 0.00 C ATOM 1438 NH1 ARG A 90 -15.449 -10.509 -12.606 1.00 0.00 N ATOM 1439 NH2 ARG A 90 -14.407 -9.383 -14.215 1.00 0.00 N ATOM 0 H ARG A 90 -13.832 -4.931 -11.619 1.00 0.00 H new ATOM 0 HA ARG A 90 -16.114 -6.702 -11.946 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.939 -5.305 -9.509 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -16.172 -6.549 -9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.283 -6.885 -10.362 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.993 -7.479 -8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.921 -9.409 -10.164 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.567 -8.872 -10.431 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.725 -7.827 -12.437 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.710 -10.640 -11.629 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.764 -11.174 -13.312 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.828 -8.607 -14.535 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.747 -10.075 -14.883 1.00 0.00 H new ATOM 1453 N GLU A 91 -16.663 -3.587 -11.956 1.00 0.00 N ATOM 1454 CA GLU A 91 -17.667 -2.520 -12.069 1.00 0.00 C ATOM 1455 C GLU A 91 -18.300 -2.161 -10.706 1.00 0.00 C ATOM 1456 O GLU A 91 -19.494 -1.869 -10.606 1.00 0.00 O ATOM 1457 CB GLU A 91 -18.695 -2.849 -13.175 1.00 0.00 C ATOM 1458 CG GLU A 91 -18.050 -3.124 -14.543 1.00 0.00 C ATOM 1459 CD GLU A 91 -19.126 -3.222 -15.641 1.00 0.00 C ATOM 1460 OE1 GLU A 91 -19.606 -2.166 -16.124 1.00 0.00 O ATOM 1461 OE2 GLU A 91 -19.510 -4.354 -16.028 1.00 0.00 O ATOM 0 H GLU A 91 -15.750 -3.304 -12.311 1.00 0.00 H new ATOM 0 HA GLU A 91 -17.161 -1.607 -12.383 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.276 -3.720 -12.873 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.393 -2.018 -13.271 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.347 -2.328 -14.786 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.479 -4.052 -14.502 1.00 0.00 H new ATOM 1468 N LEU A 92 -17.494 -2.216 -9.637 1.00 0.00 N ATOM 1469 CA LEU A 92 -17.941 -1.923 -8.270 1.00 0.00 C ATOM 1470 C LEU A 92 -17.882 -0.417 -7.955 1.00 0.00 C ATOM 1471 O LEU A 92 -16.842 0.231 -8.061 1.00 0.00 O ATOM 1472 CB LEU A 92 -17.110 -2.732 -7.253 1.00 0.00 C ATOM 1473 CG LEU A 92 -17.367 -4.253 -7.277 1.00 0.00 C ATOM 1474 CD1 LEU A 92 -16.425 -4.953 -6.295 1.00 0.00 C ATOM 1475 CD2 LEU A 92 -18.801 -4.621 -6.882 1.00 0.00 C ATOM 0 H LEU A 92 -16.507 -2.467 -9.698 1.00 0.00 H new ATOM 0 HA LEU A 92 -18.986 -2.224 -8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -16.052 -2.553 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -17.321 -2.357 -6.251 1.00 0.00 H new ATOM 0 HG LEU A 92 -17.195 -4.576 -8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.610 -6.027 -6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.391 -4.758 -6.580 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -16.601 -4.574 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.922 -5.704 -6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -19.002 -4.266 -5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.501 -4.155 -7.576 1.00 0.00 H new ATOM 1487 N ASP A 93 -19.016 0.146 -7.545 1.00 0.00 N ATOM 1488 CA ASP A 93 -19.118 1.497 -6.981 1.00 0.00 C ATOM 1489 C ASP A 93 -18.320 1.648 -5.662 1.00 0.00 C ATOM 1490 O ASP A 93 -18.156 0.678 -4.909 1.00 0.00 O ATOM 1491 CB ASP A 93 -20.600 1.814 -6.721 1.00 0.00 C ATOM 1492 CG ASP A 93 -21.529 1.435 -7.890 1.00 0.00 C ATOM 1493 OD1 ASP A 93 -21.520 2.124 -8.935 1.00 0.00 O ATOM 1494 OD2 ASP A 93 -22.271 0.431 -7.761 1.00 0.00 O ATOM 0 H ASP A 93 -19.915 -0.334 -7.596 1.00 0.00 H new ATOM 0 HA ASP A 93 -18.689 2.195 -7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -20.924 1.285 -5.825 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -20.704 2.880 -6.517 1.00 0.00 H new ATOM 1499 N LEU A 94 -17.876 2.872 -5.328 1.00 0.00 N ATOM 1500 CA LEU A 94 -17.309 3.173 -4.002 1.00 0.00 C ATOM 1501 C LEU A 94 -18.375 3.628 -2.999 1.00 0.00 C ATOM 1502 O LEU A 94 -19.376 4.255 -3.358 1.00 0.00 O ATOM 1503 CB LEU A 94 -16.191 4.237 -4.070 1.00 0.00 C ATOM 1504 CG LEU A 94 -14.870 3.806 -4.731 1.00 0.00 C ATOM 1505 CD1 LEU A 94 -13.776 4.786 -4.285 1.00 0.00 C ATOM 1506 CD2 LEU A 94 -14.401 2.397 -4.370 1.00 0.00 C ATOM 0 H LEU A 94 -17.899 3.672 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 94 -16.880 2.233 -3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -16.576 5.102 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.972 4.567 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 94 -15.051 3.810 -5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.827 4.503 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.042 5.796 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.681 4.756 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -13.463 2.183 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -14.249 2.329 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -15.156 1.673 -4.677 1.00 0.00 H new ATOM 1518 N MET A 95 -18.125 3.342 -1.717 1.00 0.00 N ATOM 1519 CA MET A 95 -18.902 3.882 -0.598 1.00 0.00 C ATOM 1520 C MET A 95 -18.597 5.381 -0.379 1.00 0.00 C ATOM 1521 O MET A 95 -17.529 5.868 -0.760 1.00 0.00 O ATOM 1522 CB MET A 95 -18.627 3.031 0.651 1.00 0.00 C ATOM 1523 CG MET A 95 -19.667 3.243 1.760 1.00 0.00 C ATOM 1524 SD MET A 95 -20.113 1.750 2.695 1.00 0.00 S ATOM 1525 CE MET A 95 -18.489 1.241 3.312 1.00 0.00 C ATOM 0 H MET A 95 -17.369 2.722 -1.425 1.00 0.00 H new ATOM 0 HA MET A 95 -19.967 3.826 -0.823 1.00 0.00 H new ATOM 0 HB2 MET A 95 -18.612 1.978 0.371 1.00 0.00 H new ATOM 0 HB3 MET A 95 -17.637 3.272 1.038 1.00 0.00 H new ATOM 0 HG2 MET A 95 -19.285 3.989 2.457 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.571 3.657 1.314 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.360 0.170 3.157 1.00 0.00 H new ATOM 0 HE2 MET A 95 -17.710 1.781 2.774 1.00 0.00 H new ATOM 0 HE3 MET A 95 -18.418 1.465 4.376 1.00 0.00 H new ATOM 1535 N ARG A 96 -19.532 6.108 0.251 1.00 0.00 N ATOM 1536 CA ARG A 96 -19.430 7.547 0.570 1.00 0.00 C ATOM 1537 C ARG A 96 -19.959 7.857 1.983 1.00 0.00 C ATOM 1538 O ARG A 96 -20.611 7.012 2.599 1.00 0.00 O ATOM 1539 CB ARG A 96 -20.198 8.386 -0.474 1.00 0.00 C ATOM 1540 CG ARG A 96 -19.660 8.323 -1.915 1.00 0.00 C ATOM 1541 CD ARG A 96 -20.374 9.421 -2.715 1.00 0.00 C ATOM 1542 NE ARG A 96 -20.111 9.367 -4.163 1.00 0.00 N ATOM 1543 CZ ARG A 96 -20.043 10.396 -4.991 1.00 0.00 C ATOM 1544 NH1 ARG A 96 -19.985 11.634 -4.588 1.00 0.00 N ATOM 1545 NH2 ARG A 96 -20.031 10.202 -6.274 1.00 0.00 N ATOM 0 H ARG A 96 -20.412 5.699 0.565 1.00 0.00 H new ATOM 0 HA ARG A 96 -18.373 7.813 0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -21.238 8.059 -0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -20.193 9.427 -0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -18.581 8.476 -1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -19.849 7.343 -2.354 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -21.448 9.340 -2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -20.064 10.394 -2.335 1.00 0.00 H new ATOM 0 HE ARG A 96 -19.967 8.442 -4.568 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -19.991 11.846 -3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -19.934 12.391 -5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -20.074 9.254 -6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -19.979 10.998 -6.910 1.00 0.00 H new ATOM 1559 N VAL A 97 -19.732 9.088 2.462 1.00 0.00 N ATOM 1560 CA VAL A 97 -20.184 9.589 3.786 1.00 0.00 C ATOM 1561 C VAL A 97 -21.014 10.879 3.741 1.00 0.00 C ATOM 1562 O VAL A 97 -21.514 11.330 4.771 1.00 0.00 O ATOM 1563 CB VAL A 97 -19.003 9.765 4.763 1.00 0.00 C ATOM 1564 CG1 VAL A 97 -18.406 8.405 5.127 1.00 0.00 C ATOM 1565 CG2 VAL A 97 -17.885 10.683 4.260 1.00 0.00 C ATOM 0 H VAL A 97 -19.215 9.789 1.931 1.00 0.00 H new ATOM 0 HA VAL A 97 -20.853 8.808 4.149 1.00 0.00 H new ATOM 0 HB VAL A 97 -19.432 10.253 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -17.574 8.546 5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -19.169 7.788 5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -18.049 7.911 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -17.099 10.746 5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -17.471 10.279 3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -18.288 11.678 4.072 1.00 0.00 H new ATOM 1575 N ASP A 98 -21.213 11.466 2.555 1.00 0.00 N ATOM 1576 CA ASP A 98 -21.894 12.764 2.377 1.00 0.00 C ATOM 1577 C ASP A 98 -23.365 12.628 1.924 1.00 0.00 C ATOM 1578 O ASP A 98 -23.983 13.589 1.462 1.00 0.00 O ATOM 1579 CB ASP A 98 -21.061 13.627 1.414 1.00 0.00 C ATOM 1580 CG ASP A 98 -21.410 15.127 1.500 1.00 0.00 C ATOM 1581 OD1 ASP A 98 -21.485 15.669 2.629 1.00 0.00 O ATOM 1582 OD2 ASP A 98 -21.560 15.788 0.447 1.00 0.00 O ATOM 0 H ASP A 98 -20.903 11.051 1.676 1.00 0.00 H new ATOM 0 HA ASP A 98 -21.956 13.257 3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -20.002 13.492 1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -21.220 13.280 0.393 1.00 0.00 H new ATOM 1587 N ASN A 99 -23.932 11.417 2.045 1.00 0.00 N ATOM 1588 CA ASN A 99 -25.271 11.019 1.549 1.00 0.00 C ATOM 1589 C ASN A 99 -25.449 11.260 0.039 1.00 0.00 C ATOM 1590 O ASN A 99 -26.551 11.475 -0.477 1.00 0.00 O ATOM 1591 CB ASN A 99 -26.383 11.580 2.462 1.00 0.00 C ATOM 1592 CG ASN A 99 -26.304 10.879 3.801 1.00 0.00 C ATOM 1593 OD1 ASN A 99 -27.034 9.940 4.091 1.00 0.00 O ATOM 1594 ND2 ASN A 99 -25.300 11.210 4.579 1.00 0.00 N ATOM 0 H ASN A 99 -23.451 10.648 2.512 1.00 0.00 H new ATOM 0 HA ASN A 99 -25.364 9.936 1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -26.261 12.656 2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -27.361 11.421 2.009 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -25.122 10.683 5.434 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -24.698 11.994 4.328 1.00 0.00 H new ATOM 1601 N LEU A 100 -24.316 11.192 -0.659 1.00 0.00 N ATOM 1602 CA LEU A 100 -24.213 11.263 -2.123 1.00 0.00 C ATOM 1603 C LEU A 100 -24.348 9.868 -2.785 1.00 0.00 C ATOM 1604 O LEU A 100 -24.074 8.850 -2.139 1.00 0.00 O ATOM 1605 CB LEU A 100 -22.873 11.936 -2.479 1.00 0.00 C ATOM 1606 CG LEU A 100 -22.817 13.449 -2.192 1.00 0.00 C ATOM 1607 CD1 LEU A 100 -21.416 13.969 -2.505 1.00 0.00 C ATOM 1608 CD2 LEU A 100 -23.802 14.261 -3.036 1.00 0.00 C ATOM 0 H LEU A 100 -23.408 11.082 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 100 -25.039 11.856 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -22.076 11.444 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -22.670 11.773 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 100 -23.082 13.572 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -21.372 15.039 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -20.688 13.452 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -21.187 13.788 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -23.711 15.318 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -23.578 14.119 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -24.819 13.926 -2.832 1.00 0.00 H new ATOM 1620 N PRO A 101 -24.756 9.801 -4.071 1.00 0.00 N ATOM 1621 CA PRO A 101 -25.000 8.544 -4.788 1.00 0.00 C ATOM 1622 C PRO A 101 -23.707 7.761 -5.069 1.00 0.00 C ATOM 1623 O PRO A 101 -22.699 8.319 -5.510 1.00 0.00 O ATOM 1624 CB PRO A 101 -25.714 8.948 -6.086 1.00 0.00 C ATOM 1625 CG PRO A 101 -25.246 10.383 -6.329 1.00 0.00 C ATOM 1626 CD PRO A 101 -25.095 10.937 -4.915 1.00 0.00 C ATOM 0 HA PRO A 101 -25.604 7.864 -4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -25.441 8.293 -6.913 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -26.797 8.893 -5.980 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -24.304 10.413 -6.877 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -25.972 10.952 -6.910 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -24.316 11.698 -4.876 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -26.019 11.409 -4.581 1.00 0.00 H new ATOM 1634 N ASN A 102 -23.743 6.447 -4.837 1.00 0.00 N ATOM 1635 CA ASN A 102 -22.618 5.544 -5.095 1.00 0.00 C ATOM 1636 C ASN A 102 -22.469 5.274 -6.605 1.00 0.00 C ATOM 1637 O ASN A 102 -23.422 4.848 -7.261 1.00 0.00 O ATOM 1638 CB ASN A 102 -22.828 4.240 -4.305 1.00 0.00 C ATOM 1639 CG ASN A 102 -22.972 4.509 -2.819 1.00 0.00 C ATOM 1640 OD1 ASN A 102 -24.050 4.442 -2.247 1.00 0.00 O ATOM 1641 ND2 ASN A 102 -21.898 4.871 -2.157 1.00 0.00 N ATOM 0 H ASN A 102 -24.564 5.974 -4.460 1.00 0.00 H new ATOM 0 HA ASN A 102 -21.691 6.010 -4.762 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -23.719 3.730 -4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -21.985 3.570 -4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -21.963 5.097 -1.164 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -20.999 4.927 -2.635 1.00 0.00 H new ATOM 1648 N ILE A 103 -21.264 5.509 -7.138 1.00 0.00 N ATOM 1649 CA ILE A 103 -20.905 5.333 -8.558 1.00 0.00 C ATOM 1650 C ILE A 103 -19.476 4.796 -8.710 1.00 0.00 C ATOM 1651 O ILE A 103 -18.608 5.020 -7.858 1.00 0.00 O ATOM 1652 CB ILE A 103 -21.129 6.617 -9.391 1.00 0.00 C ATOM 1653 CG1 ILE A 103 -20.521 7.855 -8.716 1.00 0.00 C ATOM 1654 CG2 ILE A 103 -22.629 6.817 -9.676 1.00 0.00 C ATOM 1655 CD1 ILE A 103 -20.604 9.121 -9.574 1.00 0.00 C ATOM 0 H ILE A 103 -20.480 5.839 -6.575 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.584 4.584 -8.964 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.610 6.490 -10.341 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -21.034 8.032 -7.770 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -19.476 7.654 -8.479 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -22.770 7.725 -10.263 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -23.011 5.962 -10.233 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -23.170 6.907 -8.734 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -20.156 9.956 -9.035 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -20.067 8.963 -10.509 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -21.648 9.347 -9.789 1.00 0.00 H new ATOM 1667 N LYS A 104 -19.251 4.067 -9.807 1.00 0.00 N ATOM 1668 CA LYS A 104 -17.975 3.443 -10.189 1.00 0.00 C ATOM 1669 C LYS A 104 -17.173 4.323 -11.159 1.00 0.00 C ATOM 1670 O LYS A 104 -17.548 5.457 -11.472 1.00 0.00 O ATOM 1671 CB LYS A 104 -18.253 2.035 -10.744 1.00 0.00 C ATOM 1672 CG LYS A 104 -18.883 2.076 -12.140 1.00 0.00 C ATOM 1673 CD LYS A 104 -19.955 1.009 -12.271 1.00 0.00 C ATOM 1674 CE LYS A 104 -20.773 1.207 -13.555 1.00 0.00 C ATOM 1675 NZ LYS A 104 -21.907 0.246 -13.644 1.00 0.00 N ATOM 0 H LYS A 104 -19.988 3.885 -10.488 1.00 0.00 H new ATOM 0 HA LYS A 104 -17.342 3.344 -9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -17.321 1.472 -10.785 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -18.917 1.503 -10.063 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.317 3.060 -12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -18.114 1.922 -12.897 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -19.492 0.022 -12.279 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -20.616 1.044 -11.405 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -21.158 2.226 -13.587 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -20.124 1.084 -14.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -22.435 0.412 -14.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -21.539 -0.727 -13.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -22.541 0.380 -12.830 1.00 0.00 H new ATOM 1689 N ILE A 105 -16.071 3.766 -11.655 1.00 0.00 N ATOM 1690 CA ILE A 105 -15.181 4.400 -12.638 1.00 0.00 C ATOM 1691 C ILE A 105 -15.918 4.507 -13.986 1.00 0.00 C ATOM 1692 O ILE A 105 -16.360 3.500 -14.545 1.00 0.00 O ATOM 1693 CB ILE A 105 -13.888 3.564 -12.787 1.00 0.00 C ATOM 1694 CG1 ILE A 105 -13.167 3.311 -11.440 1.00 0.00 C ATOM 1695 CG2 ILE A 105 -12.906 4.247 -13.757 1.00 0.00 C ATOM 1696 CD1 ILE A 105 -12.385 2.005 -11.410 1.00 0.00 C ATOM 0 H ILE A 105 -15.759 2.835 -11.380 1.00 0.00 H new ATOM 0 HA ILE A 105 -14.906 5.400 -12.302 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.203 2.598 -13.183 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.486 4.138 -11.239 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -13.904 3.303 -10.637 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.004 3.642 -13.847 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.374 4.349 -14.736 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.645 5.234 -13.375 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.905 1.891 -10.438 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -13.065 1.170 -11.579 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.625 2.018 -12.191 1.00 0.00 H new ATOM 1708 N ALA A 106 -16.049 5.726 -14.510 1.00 0.00 N ATOM 1709 CA ALA A 106 -16.655 6.004 -15.816 1.00 0.00 C ATOM 1710 C ALA A 106 -15.681 5.758 -16.981 1.00 0.00 C ATOM 1711 O ALA A 106 -16.047 5.143 -17.985 1.00 0.00 O ATOM 1712 CB ALA A 106 -17.119 7.465 -15.827 1.00 0.00 C ATOM 0 H ALA A 106 -15.730 6.567 -14.029 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.494 5.323 -15.958 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -17.574 7.695 -16.790 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -17.850 7.620 -15.034 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -16.263 8.120 -15.664 1.00 0.00 H new ATOM 1718 N THR A 107 -14.437 6.227 -16.833 1.00 0.00 N ATOM 1719 CA THR A 107 -13.345 6.096 -17.818 1.00 0.00 C ATOM 1720 C THR A 107 -11.988 5.965 -17.120 1.00 0.00 C ATOM 1721 O THR A 107 -11.785 6.470 -16.012 1.00 0.00 O ATOM 1722 CB THR A 107 -13.276 7.292 -18.793 1.00 0.00 C ATOM 1723 OG1 THR A 107 -13.372 8.533 -18.127 1.00 0.00 O ATOM 1724 CG2 THR A 107 -14.379 7.275 -19.853 1.00 0.00 C ATOM 0 H THR A 107 -14.147 6.728 -15.993 1.00 0.00 H new ATOM 0 HA THR A 107 -13.567 5.194 -18.388 1.00 0.00 H new ATOM 0 HB THR A 107 -12.303 7.183 -19.272 1.00 0.00 H new ATOM 0 HG1 THR A 107 -13.322 9.260 -18.782 1.00 0.00 H new ATOM 0 HG21 THR A 107 -14.271 8.143 -20.504 1.00 0.00 H new ATOM 0 HG22 THR A 107 -14.300 6.364 -20.446 1.00 0.00 H new ATOM 0 HG23 THR A 107 -15.353 7.306 -19.365 1.00 0.00 H new ATOM 1732 N ARG A 108 -11.048 5.296 -17.802 1.00 0.00 N ATOM 1733 CA ARG A 108 -9.674 5.027 -17.347 1.00 0.00 C ATOM 1734 C ARG A 108 -8.683 5.261 -18.489 1.00 0.00 C ATOM 1735 O ARG A 108 -8.967 4.958 -19.650 1.00 0.00 O ATOM 1736 CB ARG A 108 -9.622 3.591 -16.778 1.00 0.00 C ATOM 1737 CG ARG A 108 -8.225 3.031 -16.438 1.00 0.00 C ATOM 1738 CD ARG A 108 -7.454 2.515 -17.671 1.00 0.00 C ATOM 1739 NE ARG A 108 -6.745 1.239 -17.437 1.00 0.00 N ATOM 1740 CZ ARG A 108 -7.271 0.024 -17.483 1.00 0.00 C ATOM 1741 NH1 ARG A 108 -8.553 -0.179 -17.582 1.00 0.00 N ATOM 1742 NH2 ARG A 108 -6.503 -1.025 -17.414 1.00 0.00 N ATOM 0 H ARG A 108 -11.232 4.910 -18.728 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.383 5.713 -16.552 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.230 3.561 -15.874 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -10.091 2.922 -17.500 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.638 3.810 -15.952 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.333 2.218 -15.720 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -8.153 2.386 -18.498 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.732 3.271 -17.979 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.751 1.300 -17.218 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.193 0.614 -17.627 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.918 -1.131 -17.614 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.493 -0.913 -17.324 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.911 -1.959 -17.450 1.00 0.00 H new ATOM 1756 N LYS A 109 -7.499 5.758 -18.127 1.00 0.00 N ATOM 1757 CA LYS A 109 -6.338 5.980 -19.014 1.00 0.00 C ATOM 1758 C LYS A 109 -5.046 6.030 -18.186 1.00 0.00 C ATOM 1759 O LYS A 109 -5.020 6.681 -17.140 1.00 0.00 O ATOM 1760 CB LYS A 109 -6.567 7.306 -19.777 1.00 0.00 C ATOM 1761 CG LYS A 109 -5.482 7.683 -20.803 1.00 0.00 C ATOM 1762 CD LYS A 109 -5.288 6.689 -21.962 1.00 0.00 C ATOM 1763 CE LYS A 109 -6.529 6.590 -22.862 1.00 0.00 C ATOM 1764 NZ LYS A 109 -6.312 5.650 -23.995 1.00 0.00 N ATOM 0 H LYS A 109 -7.307 6.032 -17.164 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.236 5.163 -19.728 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.525 7.245 -20.294 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.649 8.113 -19.049 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -5.727 8.659 -21.222 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.533 7.791 -20.278 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -4.431 6.997 -22.562 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.056 5.704 -21.557 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -7.382 6.257 -22.271 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -6.777 7.578 -23.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -7.170 5.609 -24.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.514 5.982 -24.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -6.100 4.702 -23.624 1.00 0.00 H new ATOM 1778 N TYR A 110 -3.981 5.360 -18.631 1.00 0.00 N ATOM 1779 CA TYR A 110 -2.647 5.522 -18.034 1.00 0.00 C ATOM 1780 C TYR A 110 -2.108 6.930 -18.325 1.00 0.00 C ATOM 1781 O TYR A 110 -1.973 7.319 -19.490 1.00 0.00 O ATOM 1782 CB TYR A 110 -1.670 4.459 -18.566 1.00 0.00 C ATOM 1783 CG TYR A 110 -0.267 4.553 -17.978 1.00 0.00 C ATOM 1784 CD1 TYR A 110 -0.084 4.730 -16.591 1.00 0.00 C ATOM 1785 CD2 TYR A 110 0.863 4.485 -18.821 1.00 0.00 C ATOM 1786 CE1 TYR A 110 1.209 4.867 -16.057 1.00 0.00 C ATOM 1787 CE2 TYR A 110 2.162 4.589 -18.282 1.00 0.00 C ATOM 1788 CZ TYR A 110 2.338 4.779 -16.894 1.00 0.00 C ATOM 1789 OH TYR A 110 3.586 4.889 -16.362 1.00 0.00 O ATOM 0 H TYR A 110 -4.014 4.697 -19.405 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.737 5.389 -16.956 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.076 3.470 -18.354 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.605 4.551 -19.650 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.942 4.760 -15.936 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.732 4.353 -19.885 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.337 5.041 -14.999 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.023 4.523 -18.931 1.00 0.00 H new ATOM 0 HH TYR A 110 4.254 4.805 -17.074 1.00 0.00 H new ATOM 1799 N LEU A 111 -1.817 7.705 -17.275 1.00 0.00 N ATOM 1800 CA LEU A 111 -1.349 9.087 -17.416 1.00 0.00 C ATOM 1801 C LEU A 111 0.171 9.157 -17.561 1.00 0.00 C ATOM 1802 O LEU A 111 0.687 9.932 -18.371 1.00 0.00 O ATOM 1803 CB LEU A 111 -1.775 9.882 -16.175 1.00 0.00 C ATOM 1804 CG LEU A 111 -3.295 10.039 -16.045 1.00 0.00 C ATOM 1805 CD1 LEU A 111 -3.624 10.503 -14.634 1.00 0.00 C ATOM 1806 CD2 LEU A 111 -3.827 11.073 -17.037 1.00 0.00 C ATOM 0 H LEU A 111 -1.899 7.393 -16.307 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.792 9.509 -18.318 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.391 9.385 -15.284 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.317 10.870 -16.211 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.762 9.077 -16.257 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.703 10.618 -14.531 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.267 9.765 -13.916 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.138 11.459 -14.443 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.907 11.164 -16.923 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.359 12.038 -16.843 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.595 10.755 -18.053 1.00 0.00 H new ATOM 1818 N GLY A 112 0.879 8.357 -16.762 1.00 0.00 N ATOM 1819 CA GLY A 112 2.338 8.341 -16.700 1.00 0.00 C ATOM 1820 C GLY A 112 2.870 8.165 -15.277 1.00 0.00 C ATOM 1821 O GLY A 112 2.295 7.444 -14.458 1.00 0.00 O ATOM 0 H GLY A 112 0.443 7.688 -16.127 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.715 7.532 -17.326 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.725 9.272 -17.115 1.00 0.00 H new ATOM 1825 N LYS A 113 3.965 8.863 -14.976 1.00 0.00 N ATOM 1826 CA LYS A 113 4.785 8.682 -13.767 1.00 0.00 C ATOM 1827 C LYS A 113 4.882 9.975 -12.952 1.00 0.00 C ATOM 1828 O LYS A 113 5.657 10.881 -13.269 1.00 0.00 O ATOM 1829 CB LYS A 113 6.172 8.152 -14.180 1.00 0.00 C ATOM 1830 CG LYS A 113 6.705 7.081 -13.224 1.00 0.00 C ATOM 1831 CD LYS A 113 8.191 6.839 -13.522 1.00 0.00 C ATOM 1832 CE LYS A 113 8.700 5.569 -12.834 1.00 0.00 C ATOM 1833 NZ LYS A 113 10.145 5.356 -13.115 1.00 0.00 N ATOM 0 H LYS A 113 4.323 9.598 -15.586 1.00 0.00 H new ATOM 0 HA LYS A 113 4.309 7.951 -13.114 1.00 0.00 H new ATOM 0 HB2 LYS A 113 6.113 7.738 -15.186 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.877 8.982 -14.218 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.576 7.401 -12.190 1.00 0.00 H new ATOM 0 HG3 LYS A 113 6.142 6.156 -13.344 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.339 6.755 -14.599 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.775 7.696 -13.186 1.00 0.00 H new ATOM 0 HE2 LYS A 113 8.542 5.645 -11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 113 8.127 4.709 -13.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.467 4.490 -12.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.289 5.261 -14.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.691 6.168 -12.763 1.00 0.00 H new ATOM 1847 N GLN A 114 4.035 10.086 -11.933 1.00 0.00 N ATOM 1848 CA GLN A 114 3.823 11.317 -11.158 1.00 0.00 C ATOM 1849 C GLN A 114 4.202 11.121 -9.691 1.00 0.00 C ATOM 1850 O GLN A 114 4.137 10.011 -9.155 1.00 0.00 O ATOM 1851 CB GLN A 114 2.364 11.777 -11.270 1.00 0.00 C ATOM 1852 CG GLN A 114 1.930 11.547 -12.713 1.00 0.00 C ATOM 1853 CD GLN A 114 0.646 12.179 -13.136 1.00 0.00 C ATOM 1854 OE1 GLN A 114 -0.053 12.896 -12.434 1.00 0.00 O ATOM 1855 NE2 GLN A 114 0.339 11.922 -14.375 1.00 0.00 N ATOM 0 H GLN A 114 3.460 9.307 -11.611 1.00 0.00 H new ATOM 0 HA GLN A 114 4.470 12.088 -11.575 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.730 11.216 -10.583 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.271 12.830 -11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.721 11.912 -13.368 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.851 10.472 -12.877 1.00 0.00 H new ATOM 0 HE21 GLN A 114 0.942 11.320 -14.936 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.505 12.323 -14.785 1.00 0.00 H new ATOM 1864 N ASN A 115 4.555 12.212 -9.019 1.00 0.00 N ATOM 1865 CA ASN A 115 4.761 12.240 -7.590 1.00 0.00 C ATOM 1866 C ASN A 115 3.468 11.883 -6.849 1.00 0.00 C ATOM 1867 O ASN A 115 2.476 12.614 -6.932 1.00 0.00 O ATOM 1868 CB ASN A 115 5.306 13.628 -7.197 1.00 0.00 C ATOM 1869 CG ASN A 115 6.379 13.497 -6.142 1.00 0.00 C ATOM 1870 OD1 ASN A 115 7.464 14.056 -6.245 1.00 0.00 O ATOM 1871 ND2 ASN A 115 6.145 12.696 -5.130 1.00 0.00 N ATOM 0 H ASN A 115 4.707 13.115 -9.469 1.00 0.00 H new ATOM 0 HA ASN A 115 5.495 11.489 -7.299 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.712 14.128 -8.076 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.494 14.251 -6.822 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.867 12.538 -4.427 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.241 12.231 -5.046 1.00 0.00 H new ATOM 1878 N VAL A 116 3.496 10.775 -6.101 1.00 0.00 N ATOM 1879 CA VAL A 116 2.355 10.337 -5.286 1.00 0.00 C ATOM 1880 C VAL A 116 2.756 10.181 -3.819 1.00 0.00 C ATOM 1881 O VAL A 116 3.913 9.906 -3.493 1.00 0.00 O ATOM 1882 CB VAL A 116 1.684 9.079 -5.871 1.00 0.00 C ATOM 1883 CG1 VAL A 116 0.976 9.368 -7.194 1.00 0.00 C ATOM 1884 CG2 VAL A 116 2.649 7.914 -6.126 1.00 0.00 C ATOM 0 H VAL A 116 4.306 10.158 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 116 1.595 11.118 -5.318 1.00 0.00 H new ATOM 0 HB VAL A 116 0.972 8.788 -5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.518 8.453 -7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.205 10.122 -7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 116 1.700 9.736 -7.921 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.098 7.068 -6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.417 8.226 -6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.119 7.619 -5.188 1.00 0.00 H new ATOM 1894 N TYR A 117 1.782 10.384 -2.938 1.00 0.00 N ATOM 1895 CA TYR A 117 1.955 10.512 -1.493 1.00 0.00 C ATOM 1896 C TYR A 117 0.858 9.763 -0.730 1.00 0.00 C ATOM 1897 O TYR A 117 -0.228 9.510 -1.257 1.00 0.00 O ATOM 1898 CB TYR A 117 1.885 11.997 -1.120 1.00 0.00 C ATOM 1899 CG TYR A 117 2.684 12.936 -1.999 1.00 0.00 C ATOM 1900 CD1 TYR A 117 4.027 13.223 -1.697 1.00 0.00 C ATOM 1901 CD2 TYR A 117 2.065 13.534 -3.114 1.00 0.00 C ATOM 1902 CE1 TYR A 117 4.743 14.139 -2.489 1.00 0.00 C ATOM 1903 CE2 TYR A 117 2.780 14.450 -3.908 1.00 0.00 C ATOM 1904 CZ TYR A 117 4.114 14.776 -3.578 1.00 0.00 C ATOM 1905 OH TYR A 117 4.793 15.703 -4.308 1.00 0.00 O ATOM 0 H TYR A 117 0.806 10.468 -3.223 1.00 0.00 H new ATOM 0 HA TYR A 117 2.919 10.082 -1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.841 12.309 -1.143 1.00 0.00 H new ATOM 0 HB3 TYR A 117 2.229 12.111 -0.092 1.00 0.00 H new ATOM 0 HD1 TYR A 117 4.508 12.741 -0.859 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.042 13.290 -3.360 1.00 0.00 H new ATOM 0 HE1 TYR A 117 5.777 14.355 -2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 117 2.309 14.903 -4.768 1.00 0.00 H new ATOM 0 HH TYR A 117 4.215 16.044 -5.022 1.00 0.00 H new ATOM 1915 N ASP A 118 1.124 9.446 0.534 1.00 0.00 N ATOM 1916 CA ASP A 118 0.153 8.840 1.438 1.00 0.00 C ATOM 1917 C ASP A 118 0.387 9.262 2.899 1.00 0.00 C ATOM 1918 O ASP A 118 1.441 9.802 3.250 1.00 0.00 O ATOM 1919 CB ASP A 118 0.195 7.310 1.280 1.00 0.00 C ATOM 1920 CG ASP A 118 -1.206 6.678 1.353 1.00 0.00 C ATOM 1921 OD1 ASP A 118 -2.100 7.228 2.035 1.00 0.00 O ATOM 1922 OD2 ASP A 118 -1.376 5.593 0.749 1.00 0.00 O ATOM 0 H ASP A 118 2.035 9.606 0.965 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.841 9.198 1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 118 0.656 7.058 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 118 0.825 6.883 2.060 1.00 0.00 H new ATOM 1927 N ILE A 119 -0.577 8.970 3.768 1.00 0.00 N ATOM 1928 CA ILE A 119 -0.519 9.269 5.204 1.00 0.00 C ATOM 1929 C ILE A 119 -0.776 7.998 6.017 1.00 0.00 C ATOM 1930 O ILE A 119 -1.613 7.159 5.670 1.00 0.00 O ATOM 1931 CB ILE A 119 -1.449 10.436 5.625 1.00 0.00 C ATOM 1932 CG1 ILE A 119 -2.919 10.252 5.182 1.00 0.00 C ATOM 1933 CG2 ILE A 119 -0.870 11.776 5.135 1.00 0.00 C ATOM 1934 CD1 ILE A 119 -3.892 11.217 5.873 1.00 0.00 C ATOM 0 H ILE A 119 -1.443 8.508 3.491 1.00 0.00 H new ATOM 0 HA ILE A 119 0.489 9.621 5.423 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.480 10.438 6.715 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.985 10.392 4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.227 9.227 5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.530 12.589 5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.116 11.928 5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.785 11.760 4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.905 11.031 5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.855 11.061 6.951 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.609 12.245 5.645 1.00 0.00 H new ATOM 1946 N GLY A 120 -0.017 7.852 7.100 1.00 0.00 N ATOM 1947 CA GLY A 120 -0.044 6.695 7.986 1.00 0.00 C ATOM 1948 C GLY A 120 -0.901 6.964 9.217 1.00 0.00 C ATOM 1949 O GLY A 120 -1.064 8.112 9.638 1.00 0.00 O ATOM 0 H GLY A 120 0.656 8.560 7.393 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -0.435 5.831 7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 120 0.971 6.446 8.294 1.00 0.00 H new ATOM 1953 N VAL A 121 -1.443 5.900 9.808 1.00 0.00 N ATOM 1954 CA VAL A 121 -2.396 5.963 10.933 1.00 0.00 C ATOM 1955 C VAL A 121 -2.171 4.766 11.874 1.00 0.00 C ATOM 1956 O VAL A 121 -1.641 3.732 11.464 1.00 0.00 O ATOM 1957 CB VAL A 121 -3.853 5.979 10.417 1.00 0.00 C ATOM 1958 CG1 VAL A 121 -4.808 6.488 11.501 1.00 0.00 C ATOM 1959 CG2 VAL A 121 -4.101 6.860 9.178 1.00 0.00 C ATOM 0 H VAL A 121 -1.232 4.945 9.517 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.224 6.887 11.486 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.037 4.941 10.141 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.828 6.491 11.116 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.751 5.835 12.372 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.526 7.501 11.788 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.152 6.803 8.896 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.843 7.894 9.409 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.484 6.508 8.352 1.00 0.00 H new ATOM 1969 N GLU A 122 -2.569 4.896 13.144 1.00 0.00 N ATOM 1970 CA GLU A 122 -2.302 3.911 14.211 1.00 0.00 C ATOM 1971 C GLU A 122 -2.846 2.492 13.947 1.00 0.00 C ATOM 1972 O GLU A 122 -2.213 1.510 14.354 1.00 0.00 O ATOM 1973 CB GLU A 122 -2.898 4.423 15.534 1.00 0.00 C ATOM 1974 CG GLU A 122 -2.164 5.655 16.089 1.00 0.00 C ATOM 1975 CD GLU A 122 -2.747 6.172 17.424 1.00 0.00 C ATOM 1976 OE1 GLU A 122 -3.582 5.490 18.068 1.00 0.00 O ATOM 1977 OE2 GLU A 122 -2.350 7.282 17.858 1.00 0.00 O ATOM 0 H GLU A 122 -3.098 5.705 13.471 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.217 3.817 14.251 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -3.948 4.672 15.380 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -2.865 3.624 16.274 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -1.112 5.407 16.233 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -2.204 6.455 15.350 1.00 0.00 H new ATOM 1984 N ARG A 123 -4.011 2.375 13.286 1.00 0.00 N ATOM 1985 CA ARG A 123 -4.706 1.087 13.039 1.00 0.00 C ATOM 1986 C ARG A 123 -5.692 1.108 11.865 1.00 0.00 C ATOM 1987 O ARG A 123 -5.722 0.167 11.073 1.00 0.00 O ATOM 1988 CB ARG A 123 -5.407 0.606 14.330 1.00 0.00 C ATOM 1989 CG ARG A 123 -6.316 1.649 15.010 1.00 0.00 C ATOM 1990 CD ARG A 123 -7.014 1.055 16.236 1.00 0.00 C ATOM 1991 NE ARG A 123 -7.886 2.053 16.889 1.00 0.00 N ATOM 1992 CZ ARG A 123 -8.442 1.957 18.084 1.00 0.00 C ATOM 1993 NH1 ARG A 123 -8.272 0.913 18.850 1.00 0.00 N ATOM 1994 NH2 ARG A 123 -9.186 2.922 18.544 1.00 0.00 N ATOM 0 H ARG A 123 -4.507 3.179 12.901 1.00 0.00 H new ATOM 0 HA ARG A 123 -3.928 0.381 12.747 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -6.005 -0.274 14.094 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -4.645 0.292 15.043 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -5.723 2.513 15.308 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -7.062 2.004 14.299 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -7.607 0.190 15.937 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -6.268 0.700 16.946 1.00 0.00 H new ATOM 0 HE ARG A 123 -8.079 2.905 16.363 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -7.694 0.136 18.532 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -8.718 0.875 19.767 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -9.342 3.758 17.981 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -9.612 2.842 19.467 1.00 0.00 H new ATOM 2008 N ASP A 124 -6.451 2.193 11.711 1.00 0.00 N ATOM 2009 CA ASP A 124 -7.412 2.402 10.621 1.00 0.00 C ATOM 2010 C ASP A 124 -6.776 3.316 9.567 1.00 0.00 C ATOM 2011 O ASP A 124 -6.994 4.527 9.537 1.00 0.00 O ATOM 2012 CB ASP A 124 -8.737 2.940 11.175 1.00 0.00 C ATOM 2013 CG ASP A 124 -9.587 1.818 11.800 1.00 0.00 C ATOM 2014 OD1 ASP A 124 -9.341 1.434 12.970 1.00 0.00 O ATOM 2015 OD2 ASP A 124 -10.492 1.288 11.113 1.00 0.00 O ATOM 0 H ASP A 124 -6.415 2.978 12.361 1.00 0.00 H new ATOM 0 HA ASP A 124 -7.653 1.458 10.133 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -8.535 3.705 11.925 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.299 3.420 10.374 1.00 0.00 H new ATOM 2020 N HIS A 125 -5.926 2.705 8.739 1.00 0.00 N ATOM 2021 CA HIS A 125 -5.174 3.299 7.624 1.00 0.00 C ATOM 2022 C HIS A 125 -6.016 4.093 6.604 1.00 0.00 C ATOM 2023 O HIS A 125 -5.479 4.930 5.873 1.00 0.00 O ATOM 2024 CB HIS A 125 -4.424 2.159 6.909 1.00 0.00 C ATOM 2025 CG HIS A 125 -5.193 0.855 6.800 1.00 0.00 C ATOM 2026 ND1 HIS A 125 -4.952 -0.294 7.521 1.00 0.00 N ATOM 2027 CD2 HIS A 125 -6.283 0.604 6.007 1.00 0.00 C ATOM 2028 CE1 HIS A 125 -5.865 -1.215 7.171 1.00 0.00 C ATOM 2029 NE2 HIS A 125 -6.710 -0.710 6.255 1.00 0.00 N ATOM 0 H HIS A 125 -5.729 1.709 8.835 1.00 0.00 H new ATOM 0 HA HIS A 125 -4.502 4.040 8.056 1.00 0.00 H new ATOM 0 HB2 HIS A 125 -4.159 2.492 5.906 1.00 0.00 H new ATOM 0 HB3 HIS A 125 -3.491 1.970 7.439 1.00 0.00 H new ATOM 0 HD2 HIS A 125 -6.735 1.297 5.312 1.00 0.00 H new ATOM 0 HE1 HIS A 125 -5.913 -2.218 7.569 1.00 0.00 H new ATOM 0 HE2 HIS A 125 -7.503 -1.187 5.826 1.00 0.00 H new ATOM 2037 N ASN A 126 -7.316 3.812 6.520 1.00 0.00 N ATOM 2038 CA ASN A 126 -8.264 4.478 5.631 1.00 0.00 C ATOM 2039 C ASN A 126 -8.638 5.913 6.081 1.00 0.00 C ATOM 2040 O ASN A 126 -8.423 6.305 7.232 1.00 0.00 O ATOM 2041 CB ASN A 126 -9.497 3.568 5.511 1.00 0.00 C ATOM 2042 CG ASN A 126 -10.249 3.463 6.829 1.00 0.00 C ATOM 2043 OD1 ASN A 126 -9.867 2.719 7.721 1.00 0.00 O ATOM 2044 ND2 ASN A 126 -11.304 4.225 7.008 1.00 0.00 N ATOM 0 H ASN A 126 -7.752 3.088 7.090 1.00 0.00 H new ATOM 0 HA ASN A 126 -7.796 4.623 4.657 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -10.164 3.958 4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -9.186 2.574 5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -11.808 4.198 7.894 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -11.619 4.844 6.261 1.00 0.00 H new ATOM 2051 N PHE A 127 -9.246 6.684 5.175 1.00 0.00 N ATOM 2052 CA PHE A 127 -9.666 8.080 5.398 1.00 0.00 C ATOM 2053 C PHE A 127 -10.732 8.522 4.378 1.00 0.00 C ATOM 2054 O PHE A 127 -10.849 7.925 3.305 1.00 0.00 O ATOM 2055 CB PHE A 127 -8.440 9.015 5.311 1.00 0.00 C ATOM 2056 CG PHE A 127 -7.655 8.911 4.011 1.00 0.00 C ATOM 2057 CD1 PHE A 127 -8.196 9.416 2.811 1.00 0.00 C ATOM 2058 CD2 PHE A 127 -6.408 8.255 3.987 1.00 0.00 C ATOM 2059 CE1 PHE A 127 -7.535 9.199 1.593 1.00 0.00 C ATOM 2060 CE2 PHE A 127 -5.722 8.087 2.771 1.00 0.00 C ATOM 2061 CZ PHE A 127 -6.295 8.549 1.574 1.00 0.00 C ATOM 0 H PHE A 127 -9.468 6.349 4.238 1.00 0.00 H new ATOM 0 HA PHE A 127 -10.108 8.142 6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -8.775 10.045 5.436 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -7.771 8.794 6.143 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -9.122 9.972 2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -5.978 7.881 4.904 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -7.983 9.534 0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.756 7.604 2.757 1.00 0.00 H new ATOM 0 HZ PHE A 127 -5.778 8.402 0.637 1.00 0.00 H new ATOM 2071 N ALA A 128 -11.472 9.597 4.671 1.00 0.00 N ATOM 2072 CA ALA A 128 -12.441 10.195 3.752 1.00 0.00 C ATOM 2073 C ALA A 128 -11.832 11.318 2.877 1.00 0.00 C ATOM 2074 O ALA A 128 -11.188 12.243 3.383 1.00 0.00 O ATOM 2075 CB ALA A 128 -13.625 10.722 4.572 1.00 0.00 C ATOM 0 H ALA A 128 -11.412 10.081 5.567 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.772 9.425 3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -14.359 11.172 3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -14.087 9.898 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -13.272 11.471 5.281 1.00 0.00 H new ATOM 2081 N LEU A 129 -12.058 11.252 1.559 1.00 0.00 N ATOM 2082 CA LEU A 129 -11.775 12.343 0.608 1.00 0.00 C ATOM 2083 C LEU A 129 -12.792 13.492 0.762 1.00 0.00 C ATOM 2084 O LEU A 129 -13.866 13.310 1.340 1.00 0.00 O ATOM 2085 CB LEU A 129 -11.793 11.811 -0.845 1.00 0.00 C ATOM 2086 CG LEU A 129 -10.681 10.805 -1.210 1.00 0.00 C ATOM 2087 CD1 LEU A 129 -10.696 10.490 -2.709 1.00 0.00 C ATOM 2088 CD2 LEU A 129 -9.288 11.345 -0.912 1.00 0.00 C ATOM 0 H LEU A 129 -12.450 10.424 1.111 1.00 0.00 H new ATOM 0 HA LEU A 129 -10.782 12.733 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -12.758 11.337 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -11.723 12.661 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 129 -10.884 9.921 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -9.903 9.779 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -11.660 10.059 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -10.536 11.408 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.542 10.599 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -9.120 12.255 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.204 11.568 0.152 1.00 0.00 H new ATOM 2100 N LYS A 130 -12.494 14.665 0.180 1.00 0.00 N ATOM 2101 CA LYS A 130 -13.368 15.863 0.208 1.00 0.00 C ATOM 2102 C LYS A 130 -14.828 15.639 -0.227 1.00 0.00 C ATOM 2103 O LYS A 130 -15.729 16.296 0.295 1.00 0.00 O ATOM 2104 CB LYS A 130 -12.731 17.013 -0.591 1.00 0.00 C ATOM 2105 CG LYS A 130 -12.473 16.725 -2.082 1.00 0.00 C ATOM 2106 CD LYS A 130 -12.164 18.015 -2.863 1.00 0.00 C ATOM 2107 CE LYS A 130 -13.416 18.818 -3.254 1.00 0.00 C ATOM 2108 NZ LYS A 130 -14.049 18.301 -4.498 1.00 0.00 N ATOM 0 H LYS A 130 -11.626 14.816 -0.333 1.00 0.00 H new ATOM 0 HA LYS A 130 -13.439 16.127 1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -13.378 17.887 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -11.783 17.277 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -11.638 16.031 -2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.346 16.237 -2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -11.512 18.647 -2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -11.611 17.758 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -14.138 18.782 -2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -13.145 19.865 -3.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -14.869 18.893 -4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -13.359 18.328 -5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -14.362 17.321 -4.347 1.00 0.00 H new ATOM 2122 N ASN A 131 -15.066 14.713 -1.164 1.00 0.00 N ATOM 2123 CA ASN A 131 -16.400 14.361 -1.681 1.00 0.00 C ATOM 2124 C ASN A 131 -17.098 13.229 -0.898 1.00 0.00 C ATOM 2125 O ASN A 131 -18.286 12.984 -1.110 1.00 0.00 O ATOM 2126 CB ASN A 131 -16.253 13.954 -3.160 1.00 0.00 C ATOM 2127 CG ASN A 131 -16.122 15.140 -4.099 1.00 0.00 C ATOM 2128 OD1 ASN A 131 -15.037 15.622 -4.386 1.00 0.00 O ATOM 2129 ND2 ASN A 131 -17.217 15.653 -4.610 1.00 0.00 N ATOM 0 H ASN A 131 -14.318 14.172 -1.597 1.00 0.00 H new ATOM 0 HA ASN A 131 -17.035 15.239 -1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -15.377 13.315 -3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -17.119 13.360 -3.454 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -17.159 16.450 -5.243 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -18.126 15.254 -4.374 1.00 0.00 H new ATOM 2136 N GLY A 132 -16.377 12.516 -0.024 1.00 0.00 N ATOM 2137 CA GLY A 132 -16.917 11.446 0.821 1.00 0.00 C ATOM 2138 C GLY A 132 -16.356 10.044 0.541 1.00 0.00 C ATOM 2139 O GLY A 132 -16.597 9.146 1.342 1.00 0.00 O ATOM 0 H GLY A 132 -15.379 12.671 0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -16.723 11.696 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -17.999 11.418 0.696 1.00 0.00 H new ATOM 2143 N PHE A 133 -15.635 9.827 -0.566 1.00 0.00 N ATOM 2144 CA PHE A 133 -15.044 8.518 -0.906 1.00 0.00 C ATOM 2145 C PHE A 133 -14.046 8.034 0.151 1.00 0.00 C ATOM 2146 O PHE A 133 -13.446 8.856 0.844 1.00 0.00 O ATOM 2147 CB PHE A 133 -14.298 8.604 -2.242 1.00 0.00 C ATOM 2148 CG PHE A 133 -15.095 9.205 -3.373 1.00 0.00 C ATOM 2149 CD1 PHE A 133 -16.165 8.480 -3.923 1.00 0.00 C ATOM 2150 CD2 PHE A 133 -14.779 10.488 -3.862 1.00 0.00 C ATOM 2151 CE1 PHE A 133 -16.937 9.051 -4.945 1.00 0.00 C ATOM 2152 CE2 PHE A 133 -15.553 11.053 -4.889 1.00 0.00 C ATOM 2153 CZ PHE A 133 -16.644 10.344 -5.412 1.00 0.00 C ATOM 0 H PHE A 133 -15.442 10.553 -1.256 1.00 0.00 H new ATOM 0 HA PHE A 133 -15.873 7.813 -0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -13.393 9.195 -2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -13.982 7.602 -2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -16.392 7.488 -3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -13.945 11.035 -3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -17.758 8.496 -5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -15.308 12.032 -5.275 1.00 0.00 H new ATOM 0 HZ PHE A 133 -17.261 10.793 -6.176 1.00 0.00 H new ATOM 2163 N ILE A 134 -13.781 6.722 0.205 1.00 0.00 N ATOM 2164 CA ILE A 134 -12.798 6.143 1.126 1.00 0.00 C ATOM 2165 C ILE A 134 -11.757 5.325 0.366 1.00 0.00 C ATOM 2166 O ILE A 134 -12.070 4.384 -0.367 1.00 0.00 O ATOM 2167 CB ILE A 134 -13.448 5.329 2.269 1.00 0.00 C ATOM 2168 CG1 ILE A 134 -14.393 6.189 3.139 1.00 0.00 C ATOM 2169 CG2 ILE A 134 -12.336 4.734 3.163 1.00 0.00 C ATOM 2170 CD1 ILE A 134 -15.843 6.165 2.641 1.00 0.00 C ATOM 0 H ILE A 134 -14.243 6.033 -0.389 1.00 0.00 H new ATOM 0 HA ILE A 134 -12.288 6.976 1.609 1.00 0.00 H new ATOM 0 HB ILE A 134 -14.046 4.539 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -14.361 5.829 4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -14.034 7.218 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -12.788 4.159 3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -11.699 4.082 2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -11.736 5.541 3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -16.461 6.786 3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -15.884 6.551 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -16.216 5.141 2.656 1.00 0.00 H new ATOM 2182 N ALA A 135 -10.500 5.676 0.614 1.00 0.00 N ATOM 2183 CA ALA A 135 -9.315 4.975 0.143 1.00 0.00 C ATOM 2184 C ALA A 135 -8.643 4.236 1.322 1.00 0.00 C ATOM 2185 O ALA A 135 -8.836 4.607 2.482 1.00 0.00 O ATOM 2186 CB ALA A 135 -8.408 6.022 -0.520 1.00 0.00 C ATOM 0 H ALA A 135 -10.271 6.496 1.176 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.552 4.206 -0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.504 5.538 -0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.937 6.487 -1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -8.139 6.785 0.210 1.00 0.00 H new ATOM 2192 N SER A 136 -7.857 3.196 1.036 1.00 0.00 N ATOM 2193 CA SER A 136 -7.203 2.327 2.028 1.00 0.00 C ATOM 2194 C SER A 136 -5.726 2.043 1.693 1.00 0.00 C ATOM 2195 O SER A 136 -5.395 1.614 0.582 1.00 0.00 O ATOM 2196 CB SER A 136 -8.000 1.026 2.109 1.00 0.00 C ATOM 2197 OG SER A 136 -7.431 0.147 3.054 1.00 0.00 O ATOM 0 H SER A 136 -7.648 2.923 0.076 1.00 0.00 H new ATOM 0 HA SER A 136 -7.195 2.839 2.990 1.00 0.00 H new ATOM 0 HB2 SER A 136 -9.032 1.243 2.383 1.00 0.00 H new ATOM 0 HB3 SER A 136 -8.024 0.548 1.130 1.00 0.00 H new ATOM 0 HG SER A 136 -8.046 -0.597 3.220 1.00 0.00 H new ATOM 2203 N ASN A 137 -4.840 2.279 2.675 1.00 0.00 N ATOM 2204 CA ASN A 137 -3.368 2.162 2.564 1.00 0.00 C ATOM 2205 C ASN A 137 -2.820 0.831 3.124 1.00 0.00 C ATOM 2206 O ASN A 137 -2.092 0.141 2.376 1.00 0.00 O ATOM 2207 CB ASN A 137 -2.688 3.386 3.223 1.00 0.00 C ATOM 2208 CG ASN A 137 -1.180 3.200 3.383 1.00 0.00 C ATOM 2209 OD1 ASN A 137 -0.687 2.672 4.371 1.00 0.00 O ATOM 2210 ND2 ASN A 137 -0.396 3.619 2.421 1.00 0.00 N ATOM 0 H ASN A 137 -5.137 2.568 3.607 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.122 2.152 1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.880 4.273 2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.135 3.563 4.201 1.00 0.00 H new ATOM 0 HD21 ASN A 137 0.614 3.504 2.500 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -0.796 4.060 1.593 1.00 0.00 H new TER 2217 ASN A 137