USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 704 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 Single : A 1 ALA N :NH3+ 136:sc= 0.0133 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 80:sc= 0.835 USER MOD Single : A 4 THR OG1 : rot 31:sc= 0.156 USER MOD Single : A 6 SER OG : rot 180:sc= -0.792 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.389 K(o=-0.39,f=-3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-7.3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.011 K(o=-0.011,f=-0.98) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.0797 X(o=-0.08,f=-0.08) USER MOD Single : A 58 GLN : amide:sc= -0.0248 X(o=-0.025,f=-0.25) USER MOD Single : A 62 HIS : no HD1:sc= -8.05! C(o=-8.1!,f=-18!) USER MOD Single : A 63 CYS SG : rot 48:sc= -1.09 USER MOD Single : A 64 GLN : amide:sc= -0.0306 K(o=-0.031,f=-1.6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -150:sc= -5.47! USER MOD Single : A 70 SER OG : rot 110:sc= -1.22 USER MOD Single : A 71 ASN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.14) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.33) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.927 -22.656 -1.626 1.00 0.00 N ATOM 2 CA ALA A 1 -1.205 -21.738 -0.761 1.00 0.00 C ATOM 3 C ALA A 1 -0.946 -20.432 -1.515 1.00 0.00 C ATOM 4 O ALA A 1 -0.540 -20.451 -2.676 1.00 0.00 O ATOM 5 CB ALA A 1 0.088 -22.400 -0.280 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.512 -23.606 -1.547 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.926 -22.689 -1.340 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.860 -22.330 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.796 -21.497 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.630 -21.712 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.152 -23.308 0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.709 -22.653 -1.139 1.00 0.00 H new ATOM 11 N LEU A 2 -1.190 -19.328 -0.824 1.00 0.00 N ATOM 12 CA LEU A 2 -0.987 -18.016 -1.414 1.00 0.00 C ATOM 13 C LEU A 2 0.286 -18.033 -2.263 1.00 0.00 C ATOM 14 O LEU A 2 0.332 -17.425 -3.331 1.00 0.00 O ATOM 15 CB LEU A 2 -0.989 -16.936 -0.332 1.00 0.00 C ATOM 16 CG LEU A 2 -0.380 -17.334 1.015 1.00 0.00 C ATOM 17 CD1 LEU A 2 0.860 -16.494 1.325 1.00 0.00 C ATOM 18 CD2 LEU A 2 -1.422 -17.254 2.133 1.00 0.00 C ATOM 0 H LEU A 2 -1.526 -19.315 0.139 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.812 -17.768 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -0.448 -16.069 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.019 -16.620 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 2 -0.057 -18.373 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.273 -16.797 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.607 -16.646 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.585 -15.440 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.963 -17.542 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.798 -16.234 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.248 -17.930 1.910 1.00 0.00 H new ATOM 29 N THR A 3 1.286 -18.739 -1.756 1.00 0.00 N ATOM 30 CA THR A 3 2.556 -18.844 -2.455 1.00 0.00 C ATOM 31 C THR A 3 3.242 -17.477 -2.524 1.00 0.00 C ATOM 32 O THR A 3 2.581 -16.443 -2.445 1.00 0.00 O ATOM 33 CB THR A 3 2.290 -19.460 -3.829 1.00 0.00 C ATOM 34 OG1 THR A 3 2.102 -20.846 -3.557 1.00 0.00 O ATOM 35 CG2 THR A 3 3.523 -19.423 -4.736 1.00 0.00 C ATOM 0 H THR A 3 1.243 -19.243 -0.871 1.00 0.00 H new ATOM 0 HA THR A 3 3.249 -19.494 -1.920 1.00 0.00 H new ATOM 0 HB THR A 3 1.468 -18.931 -4.311 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.191 -20.994 -3.227 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.280 -19.872 -5.699 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.833 -18.389 -4.886 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.335 -19.981 -4.270 1.00 0.00 H new ATOM 43 N THR A 4 4.558 -17.517 -2.671 1.00 0.00 N ATOM 44 CA THR A 4 5.339 -16.295 -2.752 1.00 0.00 C ATOM 45 C THR A 4 5.842 -16.078 -4.180 1.00 0.00 C ATOM 46 O THR A 4 6.468 -16.962 -4.764 1.00 0.00 O ATOM 47 CB THR A 4 6.464 -16.384 -1.719 1.00 0.00 C ATOM 48 OG1 THR A 4 7.109 -15.116 -1.799 1.00 0.00 O ATOM 49 CG2 THR A 4 7.552 -17.382 -2.121 1.00 0.00 C ATOM 0 H THR A 4 5.103 -18.377 -2.736 1.00 0.00 H new ATOM 0 HA THR A 4 4.731 -15.421 -2.518 1.00 0.00 H new ATOM 0 HB THR A 4 6.048 -16.671 -0.753 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.452 -14.430 -2.040 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.325 -17.406 -1.353 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.114 -18.375 -2.226 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.992 -17.077 -3.070 1.00 0.00 H new ATOM 57 N ILE A 5 5.551 -14.896 -4.703 1.00 0.00 N ATOM 58 CA ILE A 5 5.966 -14.551 -6.052 1.00 0.00 C ATOM 59 C ILE A 5 7.120 -13.549 -5.985 1.00 0.00 C ATOM 60 O ILE A 5 7.242 -12.800 -5.017 1.00 0.00 O ATOM 61 CB ILE A 5 4.771 -14.058 -6.871 1.00 0.00 C ATOM 62 CG1 ILE A 5 5.201 -12.998 -7.887 1.00 0.00 C ATOM 63 CG2 ILE A 5 3.650 -13.558 -5.959 1.00 0.00 C ATOM 64 CD1 ILE A 5 3.990 -12.407 -8.609 1.00 0.00 C ATOM 0 H ILE A 5 5.032 -14.165 -4.216 1.00 0.00 H new ATOM 0 HA ILE A 5 6.338 -15.433 -6.573 1.00 0.00 H new ATOM 0 HB ILE A 5 4.374 -14.901 -7.436 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.749 -12.204 -7.380 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.882 -13.441 -8.614 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.813 -13.213 -6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.318 -14.370 -5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.018 -12.734 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.324 -11.656 -9.325 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.458 -13.199 -9.135 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.323 -11.943 -7.882 1.00 0.00 H new ATOM 75 N SER A 6 7.939 -13.567 -7.027 1.00 0.00 N ATOM 76 CA SER A 6 9.078 -12.669 -7.099 1.00 0.00 C ATOM 77 C SER A 6 8.664 -11.347 -7.749 1.00 0.00 C ATOM 78 O SER A 6 7.522 -11.194 -8.178 1.00 0.00 O ATOM 79 CB SER A 6 10.232 -13.304 -7.878 1.00 0.00 C ATOM 80 OG SER A 6 11.429 -13.364 -7.106 1.00 0.00 O ATOM 0 H SER A 6 7.836 -14.190 -7.828 1.00 0.00 H new ATOM 0 HA SER A 6 9.423 -12.474 -6.084 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.950 -14.310 -8.188 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.415 -12.730 -8.787 1.00 0.00 H new ATOM 0 HG SER A 6 12.141 -13.777 -7.638 1.00 0.00 H new ATOM 85 N PRO A 7 9.640 -10.402 -7.804 1.00 0.00 N ATOM 86 CA PRO A 7 9.388 -9.098 -8.394 1.00 0.00 C ATOM 87 C PRO A 7 9.341 -9.188 -9.920 1.00 0.00 C ATOM 88 O PRO A 7 9.513 -10.266 -10.489 1.00 0.00 O ATOM 89 CB PRO A 7 10.513 -8.212 -7.886 1.00 0.00 C ATOM 90 CG PRO A 7 11.605 -9.156 -7.410 1.00 0.00 C ATOM 91 CD PRO A 7 11.005 -10.548 -7.306 1.00 0.00 C ATOM 0 HA PRO A 7 8.418 -8.688 -8.111 1.00 0.00 H new ATOM 0 HB2 PRO A 7 10.880 -7.556 -8.675 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.169 -7.571 -7.074 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.443 -9.153 -8.107 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.993 -8.834 -6.444 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.568 -11.267 -7.900 1.00 0.00 H new ATOM 0 HD3 PRO A 7 11.015 -10.907 -6.277 1.00 0.00 H new ATOM 96 N HIS A 8 9.107 -8.041 -10.542 1.00 0.00 N ATOM 97 CA HIS A 8 9.036 -7.977 -11.992 1.00 0.00 C ATOM 98 C HIS A 8 7.650 -8.428 -12.458 1.00 0.00 C ATOM 99 O HIS A 8 6.991 -7.728 -13.225 1.00 0.00 O ATOM 100 CB HIS A 8 10.168 -8.786 -12.629 1.00 0.00 C ATOM 101 CG HIS A 8 10.483 -8.387 -14.050 1.00 0.00 C ATOM 102 ND1 HIS A 8 10.273 -9.228 -15.129 1.00 0.00 N ATOM 103 CD2 HIS A 8 10.994 -7.229 -14.559 1.00 0.00 C ATOM 104 CE1 HIS A 8 10.645 -8.595 -16.232 1.00 0.00 C ATOM 105 NE2 HIS A 8 11.092 -7.357 -15.876 1.00 0.00 N ATOM 0 H HIS A 8 8.964 -7.149 -10.068 1.00 0.00 H new ATOM 0 HA HIS A 8 9.175 -6.947 -12.321 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.067 -8.673 -12.023 1.00 0.00 H new ATOM 0 HB3 HIS A 8 9.901 -9.843 -12.610 1.00 0.00 H new ATOM 0 HD2 HIS A 8 11.272 -6.356 -13.987 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.602 -8.990 -17.236 1.00 0.00 H new ATOM 0 HE2 HIS A 8 11.444 -6.646 -16.517 1.00 0.00 H new ATOM 112 N ASP A 9 7.249 -9.596 -11.976 1.00 0.00 N ATOM 113 CA ASP A 9 5.955 -10.148 -12.333 1.00 0.00 C ATOM 114 C ASP A 9 4.865 -9.454 -11.514 1.00 0.00 C ATOM 115 O ASP A 9 3.774 -9.193 -12.020 1.00 0.00 O ATOM 116 CB ASP A 9 5.893 -11.646 -12.028 1.00 0.00 C ATOM 117 CG ASP A 9 6.198 -12.561 -13.217 1.00 0.00 C ATOM 118 OD1 ASP A 9 5.283 -13.077 -13.876 1.00 0.00 O ATOM 119 OD2 ASP A 9 7.451 -12.740 -13.459 1.00 0.00 O ATOM 0 H ASP A 9 7.799 -10.175 -11.341 1.00 0.00 H new ATOM 0 HA ASP A 9 5.804 -9.990 -13.401 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.599 -11.868 -11.227 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.898 -11.884 -11.651 1.00 0.00 H new ATOM 124 N ALA A 10 5.197 -9.173 -10.264 1.00 0.00 N ATOM 125 CA ALA A 10 4.260 -8.514 -9.369 1.00 0.00 C ATOM 126 C ALA A 10 3.907 -7.136 -9.934 1.00 0.00 C ATOM 127 O ALA A 10 2.733 -6.787 -10.041 1.00 0.00 O ATOM 128 CB ALA A 10 4.865 -8.431 -7.966 1.00 0.00 C ATOM 0 H ALA A 10 6.103 -9.390 -9.848 1.00 0.00 H new ATOM 0 HA ALA A 10 3.336 -9.086 -9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.162 -7.937 -7.295 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.071 -9.436 -7.599 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.793 -7.861 -8.003 1.00 0.00 H new ATOM 134 N GLN A 11 4.947 -6.390 -10.280 1.00 0.00 N ATOM 135 CA GLN A 11 4.760 -5.058 -10.831 1.00 0.00 C ATOM 136 C GLN A 11 3.747 -5.094 -11.976 1.00 0.00 C ATOM 137 O GLN A 11 3.163 -4.069 -12.326 1.00 0.00 O ATOM 138 CB GLN A 11 6.093 -4.467 -11.297 1.00 0.00 C ATOM 139 CG GLN A 11 5.906 -3.043 -11.825 1.00 0.00 C ATOM 140 CD GLN A 11 6.400 -2.925 -13.269 1.00 0.00 C ATOM 141 OE1 GLN A 11 6.949 -3.851 -13.842 1.00 0.00 O ATOM 142 NE2 GLN A 11 6.174 -1.737 -13.822 1.00 0.00 N ATOM 0 H GLN A 11 5.920 -6.682 -10.190 1.00 0.00 H new ATOM 0 HA GLN A 11 4.367 -4.413 -10.045 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.802 -4.462 -10.469 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.520 -5.095 -12.078 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.853 -2.767 -11.773 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.450 -2.342 -11.192 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.709 -1.005 -13.285 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.466 -1.558 -14.783 1.00 0.00 H new ATOM 149 N GLU A 12 3.568 -6.285 -12.528 1.00 0.00 N ATOM 150 CA GLU A 12 2.633 -6.468 -13.627 1.00 0.00 C ATOM 151 C GLU A 12 1.227 -6.738 -13.089 1.00 0.00 C ATOM 152 O GLU A 12 0.338 -5.898 -13.216 1.00 0.00 O ATOM 153 CB GLU A 12 3.092 -7.595 -14.554 1.00 0.00 C ATOM 154 CG GLU A 12 3.696 -7.034 -15.844 1.00 0.00 C ATOM 155 CD GLU A 12 3.088 -7.710 -17.073 1.00 0.00 C ATOM 156 OE1 GLU A 12 2.552 -7.024 -17.957 1.00 0.00 O ATOM 157 OE2 GLU A 12 3.186 -8.996 -17.093 1.00 0.00 O ATOM 0 H GLU A 12 4.054 -7.133 -12.236 1.00 0.00 H new ATOM 0 HA GLU A 12 2.605 -5.549 -14.212 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.829 -8.214 -14.042 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.247 -8.240 -14.795 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.523 -5.959 -15.893 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.776 -7.183 -15.839 1.00 0.00 H new ATOM 163 N LEU A 13 1.070 -7.914 -12.499 1.00 0.00 N ATOM 164 CA LEU A 13 -0.213 -8.306 -11.940 1.00 0.00 C ATOM 165 C LEU A 13 -0.824 -7.117 -11.195 1.00 0.00 C ATOM 166 O LEU A 13 -2.015 -6.840 -11.331 1.00 0.00 O ATOM 167 CB LEU A 13 -0.063 -9.561 -11.079 1.00 0.00 C ATOM 168 CG LEU A 13 1.066 -9.534 -10.047 1.00 0.00 C ATOM 169 CD1 LEU A 13 0.528 -9.204 -8.654 1.00 0.00 C ATOM 170 CD2 LEU A 13 1.854 -10.846 -10.061 1.00 0.00 C ATOM 0 H LEU A 13 1.810 -8.608 -12.396 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.908 -8.576 -12.735 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.003 -9.733 -10.555 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.095 -10.414 -11.739 1.00 0.00 H new ATOM 0 HG LEU A 13 1.760 -8.739 -10.321 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.351 -9.191 -7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.048 -8.226 -8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.199 -9.960 -8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.650 -10.800 -9.318 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.186 -11.674 -9.826 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.288 -10.999 -11.049 1.00 0.00 H new ATOM 181 N ILE A 14 0.019 -6.447 -10.423 1.00 0.00 N ATOM 182 CA ILE A 14 -0.423 -5.296 -9.655 1.00 0.00 C ATOM 183 C ILE A 14 -1.129 -4.308 -10.587 1.00 0.00 C ATOM 184 O ILE A 14 -2.165 -3.748 -10.233 1.00 0.00 O ATOM 185 CB ILE A 14 0.749 -4.684 -8.884 1.00 0.00 C ATOM 186 CG1 ILE A 14 0.633 -4.978 -7.388 1.00 0.00 C ATOM 187 CG2 ILE A 14 0.867 -3.184 -9.167 1.00 0.00 C ATOM 188 CD1 ILE A 14 1.994 -5.354 -6.796 1.00 0.00 C ATOM 0 H ILE A 14 1.006 -6.680 -10.313 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.149 -5.597 -8.900 1.00 0.00 H new ATOM 0 HB ILE A 14 1.670 -5.151 -9.233 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.237 -4.104 -6.872 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.075 -5.791 -7.227 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.707 -2.773 -8.607 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.030 -3.027 -10.233 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.052 -2.683 -8.862 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.884 -5.558 -5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.376 -6.243 -7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.692 -4.529 -6.937 1.00 0.00 H new ATOM 199 N ALA A 15 -0.538 -4.124 -11.759 1.00 0.00 N ATOM 200 CA ALA A 15 -1.098 -3.214 -12.743 1.00 0.00 C ATOM 201 C ALA A 15 -2.116 -3.964 -13.605 1.00 0.00 C ATOM 202 O ALA A 15 -2.530 -3.472 -14.654 1.00 0.00 O ATOM 203 CB ALA A 15 0.032 -2.604 -13.576 1.00 0.00 C ATOM 0 H ALA A 15 0.322 -4.589 -12.049 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.622 -2.394 -12.252 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.388 -1.921 -14.314 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.712 -2.058 -12.922 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.578 -3.398 -14.085 1.00 0.00 H new ATOM 209 N ARG A 16 -2.491 -5.143 -13.129 1.00 0.00 N ATOM 210 CA ARG A 16 -3.453 -5.965 -13.843 1.00 0.00 C ATOM 211 C ARG A 16 -4.754 -6.077 -13.043 1.00 0.00 C ATOM 212 O ARG A 16 -5.836 -6.167 -13.620 1.00 0.00 O ATOM 213 CB ARG A 16 -2.897 -7.367 -14.097 1.00 0.00 C ATOM 214 CG ARG A 16 -1.636 -7.309 -14.962 1.00 0.00 C ATOM 215 CD ARG A 16 -1.988 -7.394 -16.449 1.00 0.00 C ATOM 216 NE ARG A 16 -0.859 -7.984 -17.202 1.00 0.00 N ATOM 217 CZ ARG A 16 -0.612 -7.744 -18.507 1.00 0.00 C ATOM 218 NH1 ARG A 16 -1.414 -6.921 -19.216 1.00 0.00 N ATOM 219 NH2 ARG A 16 0.426 -8.326 -19.080 1.00 0.00 N ATOM 0 H ARG A 16 -2.146 -5.548 -12.259 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.652 -5.486 -14.801 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.668 -7.849 -13.146 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.653 -7.978 -14.590 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.097 -6.382 -14.764 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.969 -8.129 -14.695 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.884 -8.000 -16.585 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.214 -6.400 -16.835 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.228 -8.611 -16.704 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.213 -6.475 -18.766 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.220 -6.745 -20.202 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.027 -8.946 -18.537 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.627 -8.155 -20.065 1.00 0.00 H new ATOM 229 N GLY A 17 -4.603 -6.066 -11.727 1.00 0.00 N ATOM 230 CA GLY A 17 -5.752 -6.164 -10.842 1.00 0.00 C ATOM 231 C GLY A 17 -5.332 -6.647 -9.452 1.00 0.00 C ATOM 232 O GLY A 17 -6.012 -6.370 -8.464 1.00 0.00 O ATOM 0 H GLY A 17 -3.703 -5.991 -11.252 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.238 -5.192 -10.762 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.484 -6.852 -11.265 1.00 0.00 H new ATOM 236 N ALA A 18 -4.215 -7.358 -9.418 1.00 0.00 N ATOM 237 CA ALA A 18 -3.698 -7.882 -8.166 1.00 0.00 C ATOM 238 C ALA A 18 -3.903 -6.844 -7.061 1.00 0.00 C ATOM 239 O ALA A 18 -3.220 -5.821 -7.031 1.00 0.00 O ATOM 240 CB ALA A 18 -2.226 -8.264 -8.341 1.00 0.00 C ATOM 0 H ALA A 18 -3.653 -7.584 -10.239 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.237 -8.784 -7.876 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.838 -8.657 -7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.137 -9.024 -9.117 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.653 -7.383 -8.630 1.00 0.00 H new ATOM 246 N LYS A 19 -4.848 -7.142 -6.180 1.00 0.00 N ATOM 247 CA LYS A 19 -5.151 -6.247 -5.077 1.00 0.00 C ATOM 248 C LYS A 19 -4.209 -6.545 -3.910 1.00 0.00 C ATOM 249 O LYS A 19 -4.432 -7.490 -3.153 1.00 0.00 O ATOM 250 CB LYS A 19 -6.633 -6.335 -4.709 1.00 0.00 C ATOM 251 CG LYS A 19 -7.311 -4.969 -4.834 1.00 0.00 C ATOM 252 CD LYS A 19 -7.083 -4.369 -6.223 1.00 0.00 C ATOM 253 CE LYS A 19 -6.506 -2.956 -6.122 1.00 0.00 C ATOM 254 NZ LYS A 19 -7.018 -2.107 -7.222 1.00 0.00 N ATOM 0 H LYS A 19 -5.413 -7.991 -6.208 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.979 -5.211 -5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.131 -7.053 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.737 -6.705 -3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.380 -5.071 -4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.919 -4.294 -4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.402 -5.004 -6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.025 -4.343 -6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.772 -2.516 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.418 -2.997 -6.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.617 -1.151 -7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.743 -2.520 -8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.055 -2.053 -7.165 1.00 0.00 H new ATOM 263 N LEU A 20 -3.175 -5.724 -3.799 1.00 0.00 N ATOM 264 CA LEU A 20 -2.198 -5.889 -2.737 1.00 0.00 C ATOM 265 C LEU A 20 -2.706 -5.195 -1.471 1.00 0.00 C ATOM 266 O LEU A 20 -3.249 -4.094 -1.538 1.00 0.00 O ATOM 267 CB LEU A 20 -0.821 -5.403 -3.195 1.00 0.00 C ATOM 268 CG LEU A 20 0.197 -5.131 -2.086 1.00 0.00 C ATOM 269 CD1 LEU A 20 1.584 -4.859 -2.671 1.00 0.00 C ATOM 270 CD2 LEU A 20 -0.274 -3.998 -1.174 1.00 0.00 C ATOM 0 H LEU A 20 -2.993 -4.942 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.073 -6.944 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.401 -6.148 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.954 -4.488 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 20 0.278 -6.026 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.289 -4.669 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.914 -5.726 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.539 -3.988 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.468 -3.826 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.402 -3.088 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.224 -4.271 -0.716 1.00 0.00 H new ATOM 281 N ILE A 21 -2.510 -5.868 -0.347 1.00 0.00 N ATOM 282 CA ILE A 21 -2.940 -5.330 0.931 1.00 0.00 C ATOM 283 C ILE A 21 -1.711 -4.963 1.767 1.00 0.00 C ATOM 284 O ILE A 21 -0.717 -5.688 1.764 1.00 0.00 O ATOM 285 CB ILE A 21 -3.891 -6.305 1.631 1.00 0.00 C ATOM 286 CG1 ILE A 21 -4.827 -6.975 0.623 1.00 0.00 C ATOM 287 CG2 ILE A 21 -4.661 -5.609 2.755 1.00 0.00 C ATOM 288 CD1 ILE A 21 -5.549 -5.932 -0.231 1.00 0.00 C ATOM 0 H ILE A 21 -2.059 -6.781 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.511 -4.413 0.784 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.295 -7.093 2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.256 -7.645 -0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.558 -7.587 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.329 -6.324 3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.958 -5.219 3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.246 -4.788 2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.208 -6.434 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.138 -5.279 0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.816 -5.338 -0.776 1.00 0.00 H new ATOM 299 N ASP A 22 -1.821 -3.840 2.461 1.00 0.00 N ATOM 300 CA ASP A 22 -0.730 -3.370 3.298 1.00 0.00 C ATOM 301 C ASP A 22 -1.021 -3.729 4.756 1.00 0.00 C ATOM 302 O ASP A 22 -1.745 -3.012 5.445 1.00 0.00 O ATOM 303 CB ASP A 22 -0.583 -1.849 3.206 1.00 0.00 C ATOM 304 CG ASP A 22 0.839 -1.352 2.939 1.00 0.00 C ATOM 305 OD1 ASP A 22 1.761 -2.149 2.706 1.00 0.00 O ATOM 306 OD2 ASP A 22 0.985 -0.071 2.977 1.00 0.00 O ATOM 0 H ASP A 22 -2.648 -3.242 2.461 1.00 0.00 H new ATOM 0 HA ASP A 22 0.189 -3.844 2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.235 -1.483 2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.937 -1.408 4.138 1.00 0.00 H new ATOM 311 N ILE A 23 -0.442 -4.841 5.184 1.00 0.00 N ATOM 312 CA ILE A 23 -0.630 -5.306 6.548 1.00 0.00 C ATOM 313 C ILE A 23 0.641 -5.030 7.355 1.00 0.00 C ATOM 314 O ILE A 23 1.224 -5.945 7.935 1.00 0.00 O ATOM 315 CB ILE A 23 -1.058 -6.775 6.560 1.00 0.00 C ATOM 316 CG1 ILE A 23 0.142 -7.698 6.343 1.00 0.00 C ATOM 317 CG2 ILE A 23 -2.169 -7.030 5.539 1.00 0.00 C ATOM 318 CD1 ILE A 23 0.369 -8.599 7.560 1.00 0.00 C ATOM 0 H ILE A 23 0.158 -5.434 4.610 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.440 -4.758 7.029 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.466 -7.004 7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.022 -8.312 5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.035 -7.101 6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.455 -8.081 5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.034 -6.412 5.780 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.811 -6.779 4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.228 -9.245 7.379 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.557 -7.983 8.439 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.516 -9.212 7.729 1.00 0.00 H new ATOM 329 N ARG A 24 1.033 -3.764 7.368 1.00 0.00 N ATOM 330 CA ARG A 24 2.222 -3.355 8.095 1.00 0.00 C ATOM 331 C ARG A 24 1.882 -2.243 9.088 1.00 0.00 C ATOM 332 O ARG A 24 2.095 -2.392 10.290 1.00 0.00 O ATOM 333 CB ARG A 24 3.310 -2.861 7.138 1.00 0.00 C ATOM 334 CG ARG A 24 2.733 -2.587 5.747 1.00 0.00 C ATOM 335 CD ARG A 24 3.716 -1.782 4.896 1.00 0.00 C ATOM 336 NE ARG A 24 3.265 -0.375 4.796 1.00 0.00 N ATOM 337 CZ ARG A 24 3.513 0.426 3.739 1.00 0.00 C ATOM 338 NH1 ARG A 24 4.210 -0.035 2.679 1.00 0.00 N ATOM 339 NH2 ARG A 24 3.063 1.667 3.756 1.00 0.00 N ATOM 0 H ARG A 24 0.547 -3.008 6.886 1.00 0.00 H new ATOM 0 HA ARG A 24 2.596 -4.225 8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.762 -1.952 7.534 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.102 -3.606 7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.505 -3.531 5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.794 -2.041 5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.711 -1.823 5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.792 -2.220 3.901 1.00 0.00 H new ATOM 0 HE ARG A 24 2.733 0.013 5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.553 -0.995 2.673 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.393 0.577 1.884 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.536 2.008 4.560 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.242 2.285 2.965 1.00 0.00 H new ATOM 349 N ASP A 25 1.359 -1.151 8.549 1.00 0.00 N ATOM 350 CA ASP A 25 0.986 -0.014 9.372 1.00 0.00 C ATOM 351 C ASP A 25 0.556 1.144 8.470 1.00 0.00 C ATOM 352 O ASP A 25 0.377 0.966 7.266 1.00 0.00 O ATOM 353 CB ASP A 25 2.167 0.461 10.221 1.00 0.00 C ATOM 354 CG ASP A 25 1.858 0.660 11.706 1.00 0.00 C ATOM 355 OD1 ASP A 25 0.883 0.105 12.236 1.00 0.00 O ATOM 356 OD2 ASP A 25 2.676 1.434 12.335 1.00 0.00 O ATOM 0 H ASP A 25 1.185 -1.030 7.551 1.00 0.00 H new ATOM 0 HA ASP A 25 0.172 -0.324 10.027 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.976 -0.263 10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.533 1.403 9.812 1.00 0.00 H new ATOM 361 N ALA A 26 0.403 2.307 9.087 1.00 0.00 N ATOM 362 CA ALA A 26 -0.002 3.495 8.355 1.00 0.00 C ATOM 363 C ALA A 26 1.195 4.439 8.220 1.00 0.00 C ATOM 364 O ALA A 26 1.446 4.980 7.144 1.00 0.00 O ATOM 365 CB ALA A 26 -1.187 4.153 9.065 1.00 0.00 C ATOM 0 H ALA A 26 0.552 2.452 10.086 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.330 3.233 7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.491 5.044 8.516 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.020 3.452 9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.895 4.432 10.077 1.00 0.00 H new ATOM 371 N ASP A 27 1.901 4.609 9.328 1.00 0.00 N ATOM 372 CA ASP A 27 3.065 5.478 9.347 1.00 0.00 C ATOM 373 C ASP A 27 3.858 5.292 8.052 1.00 0.00 C ATOM 374 O ASP A 27 4.309 6.265 7.450 1.00 0.00 O ATOM 375 CB ASP A 27 3.988 5.137 10.518 1.00 0.00 C ATOM 376 CG ASP A 27 3.428 5.471 11.902 1.00 0.00 C ATOM 377 OD1 ASP A 27 2.288 5.111 12.234 1.00 0.00 O ATOM 378 OD2 ASP A 27 4.223 6.141 12.666 1.00 0.00 O ATOM 0 H ASP A 27 1.689 4.160 10.219 1.00 0.00 H new ATOM 0 HA ASP A 27 2.716 6.505 9.449 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.216 4.072 10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.930 5.670 10.386 1.00 0.00 H new ATOM 383 N GLU A 28 4.002 4.035 7.660 1.00 0.00 N ATOM 384 CA GLU A 28 4.732 3.708 6.446 1.00 0.00 C ATOM 385 C GLU A 28 4.108 4.420 5.244 1.00 0.00 C ATOM 386 O GLU A 28 4.716 5.319 4.666 1.00 0.00 O ATOM 387 CB GLU A 28 4.778 2.194 6.225 1.00 0.00 C ATOM 388 CG GLU A 28 5.245 1.469 7.489 1.00 0.00 C ATOM 389 CD GLU A 28 6.100 0.250 7.136 1.00 0.00 C ATOM 390 OE1 GLU A 28 5.663 -0.893 7.339 1.00 0.00 O ATOM 391 OE2 GLU A 28 7.256 0.522 6.633 1.00 0.00 O ATOM 0 H GLU A 28 3.626 3.230 8.161 1.00 0.00 H new ATOM 0 HA GLU A 28 5.759 4.057 6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.789 1.834 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.452 1.964 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.820 2.153 8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.380 1.155 8.073 1.00 0.00 H new ATOM 397 N TYR A 29 2.902 3.990 4.902 1.00 0.00 N ATOM 398 CA TYR A 29 2.189 4.574 3.779 1.00 0.00 C ATOM 399 C TYR A 29 2.343 6.096 3.765 1.00 0.00 C ATOM 400 O TYR A 29 2.306 6.717 2.704 1.00 0.00 O ATOM 401 CB TYR A 29 0.714 4.226 3.988 1.00 0.00 C ATOM 402 CG TYR A 29 -0.255 5.165 3.269 1.00 0.00 C ATOM 403 CD1 TYR A 29 -0.400 5.091 1.899 1.00 0.00 C ATOM 404 CD2 TYR A 29 -0.986 6.087 3.991 1.00 0.00 C ATOM 405 CE1 TYR A 29 -1.312 5.976 1.222 1.00 0.00 C ATOM 406 CE2 TYR A 29 -1.898 6.972 3.315 1.00 0.00 C ATOM 407 CZ TYR A 29 -2.017 6.872 1.963 1.00 0.00 C ATOM 408 OH TYR A 29 -2.879 7.707 1.324 1.00 0.00 O ATOM 0 H TYR A 29 2.401 3.244 5.383 1.00 0.00 H new ATOM 0 HA TYR A 29 2.579 4.191 2.836 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.539 3.207 3.643 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.495 4.243 5.056 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.171 4.369 1.334 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.874 6.144 5.064 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.433 5.929 0.150 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.475 7.699 3.868 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.314 8.292 1.979 1.00 0.00 H new ATOM 417 N LEU A 30 2.515 6.654 4.954 1.00 0.00 N ATOM 418 CA LEU A 30 2.675 8.091 5.092 1.00 0.00 C ATOM 419 C LEU A 30 3.708 8.584 4.076 1.00 0.00 C ATOM 420 O LEU A 30 3.347 9.143 3.040 1.00 0.00 O ATOM 421 CB LEU A 30 3.014 8.456 6.539 1.00 0.00 C ATOM 422 CG LEU A 30 2.534 9.830 7.012 1.00 0.00 C ATOM 423 CD1 LEU A 30 3.335 10.950 6.347 1.00 0.00 C ATOM 424 CD2 LEU A 30 1.029 9.992 6.791 1.00 0.00 C ATOM 0 H LEU A 30 2.547 6.136 5.832 1.00 0.00 H new ATOM 0 HA LEU A 30 1.738 8.602 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.586 7.698 7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.096 8.409 6.661 1.00 0.00 H new ATOM 0 HG LEU A 30 2.711 9.902 8.085 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.973 11.915 6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.390 10.843 6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.214 10.891 5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.715 10.977 7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.804 9.890 5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.494 9.224 7.350 1.00 0.00 H new ATOM 435 N ARG A 31 4.971 8.359 4.406 1.00 0.00 N ATOM 436 CA ARG A 31 6.057 8.774 3.536 1.00 0.00 C ATOM 437 C ARG A 31 6.100 7.894 2.285 1.00 0.00 C ATOM 438 O ARG A 31 5.890 8.378 1.174 1.00 0.00 O ATOM 439 CB ARG A 31 7.404 8.689 4.257 1.00 0.00 C ATOM 440 CG ARG A 31 7.660 9.947 5.089 1.00 0.00 C ATOM 441 CD ARG A 31 8.294 9.592 6.436 1.00 0.00 C ATOM 442 NE ARG A 31 8.708 10.826 7.141 1.00 0.00 N ATOM 443 CZ ARG A 31 9.045 10.876 8.447 1.00 0.00 C ATOM 444 NH1 ARG A 31 9.019 9.758 9.203 1.00 0.00 N ATOM 445 NH2 ARG A 31 9.400 12.033 8.974 1.00 0.00 N ATOM 0 H ARG A 31 5.266 7.894 5.265 1.00 0.00 H new ATOM 0 HA ARG A 31 5.876 9.810 3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.420 7.812 4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.204 8.562 3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.316 10.623 4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.722 10.477 5.253 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.583 9.036 7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.157 8.944 6.282 1.00 0.00 H new ATOM 0 HE ARG A 31 8.741 11.694 6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.743 8.868 8.788 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.275 9.803 10.189 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.417 12.873 8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.657 12.087 9.960 1.00 0.00 H new ATOM 455 N GLU A 32 6.374 6.617 2.507 1.00 0.00 N ATOM 456 CA GLU A 32 6.446 5.665 1.412 1.00 0.00 C ATOM 457 C GLU A 32 5.078 5.022 1.176 1.00 0.00 C ATOM 458 O GLU A 32 4.090 5.410 1.797 1.00 0.00 O ATOM 459 CB GLU A 32 7.513 4.601 1.680 1.00 0.00 C ATOM 460 CG GLU A 32 8.886 5.065 1.193 1.00 0.00 C ATOM 461 CD GLU A 32 9.644 5.796 2.304 1.00 0.00 C ATOM 462 OE1 GLU A 32 9.035 6.205 3.304 1.00 0.00 O ATOM 463 OE2 GLU A 32 10.911 5.932 2.101 1.00 0.00 O ATOM 0 H GLU A 32 6.549 6.219 3.430 1.00 0.00 H new ATOM 0 HA GLU A 32 6.734 6.202 0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.556 4.385 2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.240 3.673 1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.466 4.206 0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.767 5.725 0.334 1.00 0.00 H new ATOM 469 N HIS A 33 5.064 4.051 0.275 1.00 0.00 N ATOM 470 CA HIS A 33 3.833 3.351 -0.053 1.00 0.00 C ATOM 471 C HIS A 33 4.159 1.934 -0.530 1.00 0.00 C ATOM 472 O HIS A 33 4.708 1.131 0.224 1.00 0.00 O ATOM 473 CB HIS A 33 3.011 4.144 -1.068 1.00 0.00 C ATOM 474 CG HIS A 33 1.641 3.565 -1.336 1.00 0.00 C ATOM 475 ND1 HIS A 33 0.872 3.935 -2.426 1.00 0.00 N ATOM 476 CD2 HIS A 33 0.915 2.639 -0.648 1.00 0.00 C ATOM 477 CE1 HIS A 33 -0.265 3.256 -2.383 1.00 0.00 C ATOM 478 NE2 HIS A 33 -0.237 2.455 -1.281 1.00 0.00 N ATOM 0 H HIS A 33 5.886 3.732 -0.239 1.00 0.00 H new ATOM 0 HA HIS A 33 3.213 3.262 0.839 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.898 5.167 -0.709 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.563 4.195 -2.007 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.225 2.140 0.258 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.073 3.325 -3.097 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.979 1.819 -0.990 1.00 0.00 H new ATOM 485 N ILE A 34 3.809 1.671 -1.781 1.00 0.00 N ATOM 486 CA ILE A 34 4.058 0.366 -2.369 1.00 0.00 C ATOM 487 C ILE A 34 3.459 0.323 -3.776 1.00 0.00 C ATOM 488 O ILE A 34 2.707 1.216 -4.162 1.00 0.00 O ATOM 489 CB ILE A 34 3.546 -0.743 -1.447 1.00 0.00 C ATOM 490 CG1 ILE A 34 4.661 -1.738 -1.115 1.00 0.00 C ATOM 491 CG2 ILE A 34 2.322 -1.434 -2.049 1.00 0.00 C ATOM 492 CD1 ILE A 34 4.118 -3.167 -1.049 1.00 0.00 C ATOM 0 H ILE A 34 3.355 2.340 -2.403 1.00 0.00 H new ATOM 0 HA ILE A 34 5.129 0.192 -2.473 1.00 0.00 H new ATOM 0 HB ILE A 34 3.230 -0.289 -0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.444 -1.677 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.117 -1.474 -0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.978 -2.218 -1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.526 -0.704 -2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.588 -1.874 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.930 -3.854 -0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.352 -3.230 -0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.685 -3.436 -2.012 1.00 0.00 H new ATOM 503 N PRO A 35 3.824 -0.753 -4.523 1.00 0.00 N ATOM 504 CA PRO A 35 3.330 -0.925 -5.878 1.00 0.00 C ATOM 505 C PRO A 35 1.869 -1.379 -5.877 1.00 0.00 C ATOM 506 O PRO A 35 1.576 -2.542 -6.151 1.00 0.00 O ATOM 507 CB PRO A 35 4.266 -1.942 -6.512 1.00 0.00 C ATOM 508 CG PRO A 35 4.961 -2.646 -5.357 1.00 0.00 C ATOM 509 CD PRO A 35 4.712 -1.831 -4.099 1.00 0.00 C ATOM 0 HA PRO A 35 3.329 0.006 -6.446 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.713 -2.652 -7.126 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.990 -1.453 -7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.575 -3.658 -5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.030 -2.733 -5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.253 -2.438 -3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.644 -1.439 -3.691 1.00 0.00 H new ATOM 514 N GLU A 36 0.991 -0.437 -5.563 1.00 0.00 N ATOM 515 CA GLU A 36 -0.433 -0.725 -5.523 1.00 0.00 C ATOM 516 C GLU A 36 -0.824 -1.271 -4.148 1.00 0.00 C ATOM 517 O GLU A 36 -0.603 -2.446 -3.857 1.00 0.00 O ATOM 518 CB GLU A 36 -0.828 -1.701 -6.633 1.00 0.00 C ATOM 519 CG GLU A 36 -2.097 -1.234 -7.347 1.00 0.00 C ATOM 520 CD GLU A 36 -3.083 -2.390 -7.525 1.00 0.00 C ATOM 521 OE1 GLU A 36 -3.151 -3.284 -6.668 1.00 0.00 O ATOM 522 OE2 GLU A 36 -3.795 -2.340 -8.599 1.00 0.00 O ATOM 0 H GLU A 36 1.238 0.526 -5.334 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.977 0.204 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.013 -1.789 -7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.988 -2.693 -6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.568 -0.435 -6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.839 -0.819 -8.321 1.00 0.00 H new ATOM 528 N ALA A 37 -1.399 -0.394 -3.339 1.00 0.00 N ATOM 529 CA ALA A 37 -1.822 -0.773 -2.003 1.00 0.00 C ATOM 530 C ALA A 37 -2.954 0.152 -1.548 1.00 0.00 C ATOM 531 O ALA A 37 -3.015 1.310 -1.959 1.00 0.00 O ATOM 532 CB ALA A 37 -0.623 -0.734 -1.055 1.00 0.00 C ATOM 0 H ALA A 37 -1.582 0.579 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.207 -1.793 -1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.942 -1.019 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.140 -1.430 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.210 0.275 -1.032 1.00 0.00 H new ATOM 538 N ASP A 38 -3.819 -0.393 -0.707 1.00 0.00 N ATOM 539 CA ASP A 38 -4.945 0.370 -0.192 1.00 0.00 C ATOM 540 C ASP A 38 -4.859 0.430 1.334 1.00 0.00 C ATOM 541 O ASP A 38 -5.797 0.874 1.995 1.00 0.00 O ATOM 542 CB ASP A 38 -6.274 -0.289 -0.567 1.00 0.00 C ATOM 543 CG ASP A 38 -7.385 0.681 -0.969 1.00 0.00 C ATOM 544 OD1 ASP A 38 -7.310 1.340 -2.017 1.00 0.00 O ATOM 545 OD2 ASP A 38 -8.377 0.747 -0.146 1.00 0.00 O ATOM 0 H ASP A 38 -3.764 -1.354 -0.369 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.903 1.369 -0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.100 -0.980 -1.392 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.619 -0.883 0.279 1.00 0.00 H new ATOM 550 N LEU A 39 -3.726 -0.023 1.849 1.00 0.00 N ATOM 551 CA LEU A 39 -3.507 -0.026 3.286 1.00 0.00 C ATOM 552 C LEU A 39 -4.480 -1.007 3.944 1.00 0.00 C ATOM 553 O LEU A 39 -5.622 -1.139 3.508 1.00 0.00 O ATOM 554 CB LEU A 39 -3.594 1.395 3.844 1.00 0.00 C ATOM 555 CG LEU A 39 -3.501 1.525 5.366 1.00 0.00 C ATOM 556 CD1 LEU A 39 -2.211 0.893 5.892 1.00 0.00 C ATOM 557 CD2 LEU A 39 -3.642 2.984 5.802 1.00 0.00 C ATOM 0 H LEU A 39 -2.950 -0.390 1.298 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.500 -0.373 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.795 1.988 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.537 1.835 3.519 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.333 0.975 5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.170 0.999 6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.191 -0.165 5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.352 1.394 5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.572 3.048 6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.846 3.577 5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.609 3.369 5.477 1.00 0.00 H new ATOM 568 N ALA A 40 -3.991 -1.668 4.984 1.00 0.00 N ATOM 569 CA ALA A 40 -4.803 -2.632 5.706 1.00 0.00 C ATOM 570 C ALA A 40 -3.939 -3.340 6.750 1.00 0.00 C ATOM 571 O ALA A 40 -3.499 -4.469 6.536 1.00 0.00 O ATOM 572 CB ALA A 40 -5.439 -3.609 4.715 1.00 0.00 C ATOM 0 H ALA A 40 -3.043 -1.554 5.343 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.614 -2.131 6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.048 -4.332 5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.067 -3.059 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.656 -4.133 4.167 1.00 0.00 H new ATOM 578 N PRO A 41 -3.715 -2.630 7.889 1.00 0.00 N ATOM 579 CA PRO A 41 -2.910 -3.179 8.967 1.00 0.00 C ATOM 580 C PRO A 41 -3.688 -4.243 9.743 1.00 0.00 C ATOM 581 O PRO A 41 -4.898 -4.124 9.927 1.00 0.00 O ATOM 582 CB PRO A 41 -2.528 -1.981 9.821 1.00 0.00 C ATOM 583 CG PRO A 41 -3.510 -0.879 9.457 1.00 0.00 C ATOM 584 CD PRO A 41 -4.219 -1.291 8.177 1.00 0.00 C ATOM 0 HA PRO A 41 -2.020 -3.695 8.608 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.588 -2.223 10.882 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.502 -1.671 9.622 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.230 -0.729 10.261 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.987 0.067 9.316 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.301 -1.295 8.307 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.998 -0.601 7.362 1.00 0.00 H new ATOM 589 N LEU A 42 -2.959 -5.261 10.179 1.00 0.00 N ATOM 590 CA LEU A 42 -3.566 -6.347 10.932 1.00 0.00 C ATOM 591 C LEU A 42 -4.627 -5.777 11.875 1.00 0.00 C ATOM 592 O LEU A 42 -5.775 -6.216 11.860 1.00 0.00 O ATOM 593 CB LEU A 42 -2.490 -7.171 11.642 1.00 0.00 C ATOM 594 CG LEU A 42 -2.757 -8.674 11.747 1.00 0.00 C ATOM 595 CD1 LEU A 42 -4.234 -8.987 11.496 1.00 0.00 C ATOM 596 CD2 LEU A 42 -1.838 -9.461 10.811 1.00 0.00 C ATOM 0 H LEU A 42 -1.955 -5.357 10.026 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.075 -7.039 10.261 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.545 -7.026 11.119 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.361 -6.774 12.649 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.528 -8.991 12.764 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.397 -10.062 11.576 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.846 -8.471 12.236 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.512 -8.652 10.497 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.049 -10.526 10.905 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.011 -9.147 9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.798 -9.272 11.078 1.00 0.00 H new ATOM 607 N SER A 43 -4.204 -4.808 12.673 1.00 0.00 N ATOM 608 CA SER A 43 -5.104 -4.174 13.621 1.00 0.00 C ATOM 609 C SER A 43 -6.513 -4.091 13.031 1.00 0.00 C ATOM 610 O SER A 43 -7.498 -4.300 13.737 1.00 0.00 O ATOM 611 CB SER A 43 -4.606 -2.778 14.004 1.00 0.00 C ATOM 612 OG SER A 43 -3.663 -2.821 15.071 1.00 0.00 O ATOM 0 H SER A 43 -3.250 -4.447 12.683 1.00 0.00 H new ATOM 0 HA SER A 43 -5.131 -4.782 14.525 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.148 -2.305 13.135 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.454 -2.158 14.295 1.00 0.00 H new ATOM 0 HG SER A 43 -3.368 -1.911 15.284 1.00 0.00 H new ATOM 617 N VAL A 44 -6.564 -3.787 11.743 1.00 0.00 N ATOM 618 CA VAL A 44 -7.835 -3.675 11.049 1.00 0.00 C ATOM 619 C VAL A 44 -8.262 -5.055 10.548 1.00 0.00 C ATOM 620 O VAL A 44 -9.372 -5.506 10.827 1.00 0.00 O ATOM 621 CB VAL A 44 -7.732 -2.638 9.929 1.00 0.00 C ATOM 622 CG1 VAL A 44 -6.632 -1.617 10.228 1.00 0.00 C ATOM 623 CG2 VAL A 44 -7.498 -3.314 8.576 1.00 0.00 C ATOM 0 H VAL A 44 -5.744 -3.615 11.161 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.610 -3.322 11.729 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.681 -2.104 9.878 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.579 -0.891 9.417 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.858 -1.102 11.162 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.674 -2.130 10.319 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.429 -2.555 7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.570 -3.885 8.610 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.329 -3.985 8.356 1.00 0.00 H new ATOM 633 N LEU A 45 -7.357 -5.690 9.816 1.00 0.00 N ATOM 634 CA LEU A 45 -7.625 -7.011 9.273 1.00 0.00 C ATOM 635 C LEU A 45 -8.284 -7.876 10.349 1.00 0.00 C ATOM 636 O LEU A 45 -9.273 -8.556 10.084 1.00 0.00 O ATOM 637 CB LEU A 45 -6.348 -7.620 8.691 1.00 0.00 C ATOM 638 CG LEU A 45 -6.026 -7.245 7.242 1.00 0.00 C ATOM 639 CD1 LEU A 45 -6.158 -8.458 6.320 1.00 0.00 C ATOM 640 CD2 LEU A 45 -6.890 -6.072 6.775 1.00 0.00 C ATOM 0 H LEU A 45 -6.437 -5.314 9.587 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.327 -6.946 8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.508 -7.321 9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.424 -8.705 8.756 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.987 -6.918 7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.924 -8.164 5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.466 -9.236 6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.178 -8.839 6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.642 -5.825 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.943 -6.347 6.839 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.702 -5.206 7.410 1.00 0.00 H new ATOM 651 N GLU A 46 -7.709 -7.821 11.542 1.00 0.00 N ATOM 652 CA GLU A 46 -8.228 -8.591 12.659 1.00 0.00 C ATOM 653 C GLU A 46 -9.615 -8.083 13.055 1.00 0.00 C ATOM 654 O GLU A 46 -10.472 -8.863 13.468 1.00 0.00 O ATOM 655 CB GLU A 46 -7.267 -8.546 13.849 1.00 0.00 C ATOM 656 CG GLU A 46 -6.397 -9.803 13.900 1.00 0.00 C ATOM 657 CD GLU A 46 -6.965 -10.823 14.889 1.00 0.00 C ATOM 658 OE1 GLU A 46 -6.866 -10.624 16.109 1.00 0.00 O ATOM 659 OE2 GLU A 46 -7.526 -11.852 14.350 1.00 0.00 O ATOM 0 H GLU A 46 -6.889 -7.255 11.759 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.319 -9.631 12.347 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.632 -7.663 13.775 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.834 -8.454 14.775 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.337 -10.248 12.907 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.381 -9.535 14.191 1.00 0.00 H new ATOM 665 N GLN A 47 -9.795 -6.778 12.914 1.00 0.00 N ATOM 666 CA GLN A 47 -11.064 -6.156 13.252 1.00 0.00 C ATOM 667 C GLN A 47 -12.106 -6.455 12.173 1.00 0.00 C ATOM 668 O GLN A 47 -13.294 -6.576 12.468 1.00 0.00 O ATOM 669 CB GLN A 47 -10.900 -4.647 13.452 1.00 0.00 C ATOM 670 CG GLN A 47 -10.571 -4.321 14.911 1.00 0.00 C ATOM 671 CD GLN A 47 -11.845 -4.243 15.755 1.00 0.00 C ATOM 672 OE1 GLN A 47 -12.461 -5.241 16.090 1.00 0.00 O ATOM 673 NE2 GLN A 47 -12.203 -3.003 16.081 1.00 0.00 N ATOM 0 H GLN A 47 -9.083 -6.134 12.570 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.413 -6.579 14.194 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.106 -4.275 12.804 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.817 -4.136 13.159 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.907 -5.084 15.317 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.036 -3.373 14.964 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.642 -2.211 15.767 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.038 -2.845 16.644 1.00 0.00 H new ATOM 680 N SER A 48 -11.622 -6.567 10.944 1.00 0.00 N ATOM 681 CA SER A 48 -12.497 -6.851 9.819 1.00 0.00 C ATOM 682 C SER A 48 -11.900 -7.967 8.960 1.00 0.00 C ATOM 683 O SER A 48 -12.465 -9.056 8.871 1.00 0.00 O ATOM 684 CB SER A 48 -12.730 -5.597 8.973 1.00 0.00 C ATOM 685 OG SER A 48 -14.043 -5.563 8.420 1.00 0.00 O ATOM 0 H SER A 48 -10.636 -6.466 10.703 1.00 0.00 H new ATOM 0 HA SER A 48 -13.461 -7.178 10.209 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.572 -4.711 9.587 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.996 -5.561 8.168 1.00 0.00 H new ATOM 0 HG SER A 48 -14.153 -4.747 7.889 1.00 0.00 H new ATOM 690 N GLY A 49 -10.766 -7.658 8.349 1.00 0.00 N ATOM 691 CA GLY A 49 -10.086 -8.622 7.501 1.00 0.00 C ATOM 692 C GLY A 49 -10.213 -8.238 6.026 1.00 0.00 C ATOM 693 O GLY A 49 -10.434 -7.073 5.699 1.00 0.00 O ATOM 0 H GLY A 49 -10.301 -6.753 8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.033 -8.676 7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.509 -9.614 7.660 1.00 0.00 H new ATOM 697 N LEU A 50 -10.067 -9.241 5.172 1.00 0.00 N ATOM 698 CA LEU A 50 -10.162 -9.024 3.738 1.00 0.00 C ATOM 699 C LEU A 50 -11.266 -8.003 3.453 1.00 0.00 C ATOM 700 O LEU A 50 -12.450 -8.323 3.542 1.00 0.00 O ATOM 701 CB LEU A 50 -10.351 -10.354 3.006 1.00 0.00 C ATOM 702 CG LEU A 50 -9.947 -10.370 1.530 1.00 0.00 C ATOM 703 CD1 LEU A 50 -10.511 -11.603 0.821 1.00 0.00 C ATOM 704 CD2 LEU A 50 -10.359 -9.071 0.834 1.00 0.00 C ATOM 0 H LEU A 50 -9.884 -10.206 5.446 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.232 -8.605 3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.776 -11.118 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.400 -10.640 3.078 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.860 -10.434 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.209 -11.590 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.127 -12.505 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.599 -11.594 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.060 -9.109 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.440 -8.951 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.870 -8.227 1.320 1.00 0.00 H new ATOM 715 N PRO A 51 -10.827 -6.763 3.109 1.00 0.00 N ATOM 716 CA PRO A 51 -11.765 -5.694 2.811 1.00 0.00 C ATOM 717 C PRO A 51 -12.400 -5.890 1.433 1.00 0.00 C ATOM 718 O PRO A 51 -11.831 -6.559 0.573 1.00 0.00 O ATOM 719 CB PRO A 51 -10.949 -4.415 2.913 1.00 0.00 C ATOM 720 CG PRO A 51 -9.493 -4.840 2.805 1.00 0.00 C ATOM 721 CD PRO A 51 -9.432 -6.347 2.995 1.00 0.00 C ATOM 0 HA PRO A 51 -12.608 -5.669 3.502 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.213 -3.719 2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.138 -3.905 3.858 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.085 -4.561 1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.891 -4.335 3.561 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.942 -6.833 2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.866 -6.611 3.888 1.00 0.00 H new ATOM 726 N ALA A 52 -13.572 -5.294 1.267 1.00 0.00 N ATOM 727 CA ALA A 52 -14.291 -5.394 0.008 1.00 0.00 C ATOM 728 C ALA A 52 -13.484 -4.701 -1.092 1.00 0.00 C ATOM 729 O ALA A 52 -13.108 -5.330 -2.080 1.00 0.00 O ATOM 730 CB ALA A 52 -15.689 -4.795 0.171 1.00 0.00 C ATOM 0 H ALA A 52 -14.041 -4.740 1.983 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.415 -6.437 -0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.229 -4.870 -0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.231 -5.341 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.605 -3.747 0.459 1.00 0.00 H new ATOM 736 N LYS A 53 -13.241 -3.416 -0.883 1.00 0.00 N ATOM 737 CA LYS A 53 -12.485 -2.632 -1.845 1.00 0.00 C ATOM 738 C LYS A 53 -11.335 -3.477 -2.395 1.00 0.00 C ATOM 739 O LYS A 53 -11.137 -3.549 -3.607 1.00 0.00 O ATOM 740 CB LYS A 53 -12.033 -1.310 -1.221 1.00 0.00 C ATOM 741 CG LYS A 53 -11.565 -1.516 0.221 1.00 0.00 C ATOM 742 CD LYS A 53 -12.455 -0.748 1.201 1.00 0.00 C ATOM 743 CE LYS A 53 -12.032 0.720 1.291 1.00 0.00 C ATOM 744 NZ LYS A 53 -13.192 1.573 1.635 1.00 0.00 N ATOM 0 H LYS A 53 -13.554 -2.898 -0.062 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.114 -2.360 -2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.223 -0.883 -1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.855 -0.594 -1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.582 -2.578 0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.532 -1.182 0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.495 -0.812 0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.397 -1.208 2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.253 0.835 2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.606 1.041 0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.888 2.566 1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.923 1.477 0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.581 1.277 2.553 1.00 0.00 H new ATOM 753 N LEU A 54 -10.606 -4.096 -1.478 1.00 0.00 N ATOM 754 CA LEU A 54 -9.482 -4.934 -1.855 1.00 0.00 C ATOM 755 C LEU A 54 -9.897 -6.404 -1.780 1.00 0.00 C ATOM 756 O LEU A 54 -9.211 -7.217 -1.161 1.00 0.00 O ATOM 757 CB LEU A 54 -8.253 -4.597 -1.007 1.00 0.00 C ATOM 758 CG LEU A 54 -7.986 -3.109 -0.775 1.00 0.00 C ATOM 759 CD1 LEU A 54 -8.583 -2.263 -1.900 1.00 0.00 C ATOM 760 CD2 LEU A 54 -8.488 -2.668 0.601 1.00 0.00 C ATOM 0 H LEU A 54 -10.773 -4.033 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.192 -4.738 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.362 -5.082 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.376 -5.033 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.908 -2.951 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.379 -1.209 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.136 -2.554 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.661 -2.422 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.285 -1.606 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.561 -2.844 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.976 -3.239 1.375 1.00 0.00 H new ATOM 771 N ARG A 55 -11.020 -6.702 -2.417 1.00 0.00 N ATOM 772 CA ARG A 55 -11.536 -8.061 -2.429 1.00 0.00 C ATOM 773 C ARG A 55 -11.529 -8.617 -3.854 1.00 0.00 C ATOM 774 O ARG A 55 -12.100 -9.677 -4.114 1.00 0.00 O ATOM 775 CB ARG A 55 -12.961 -8.113 -1.875 1.00 0.00 C ATOM 776 CG ARG A 55 -13.973 -7.630 -2.917 1.00 0.00 C ATOM 777 CD ARG A 55 -14.851 -8.784 -3.405 1.00 0.00 C ATOM 778 NE ARG A 55 -14.647 -8.995 -4.856 1.00 0.00 N ATOM 779 CZ ARG A 55 -15.216 -9.995 -5.562 1.00 0.00 C ATOM 780 NH1 ARG A 55 -16.031 -10.885 -4.956 1.00 0.00 N ATOM 781 NH2 ARG A 55 -14.965 -10.089 -6.854 1.00 0.00 N ATOM 0 H ARG A 55 -11.587 -6.026 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.890 -8.668 -1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.201 -9.133 -1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.030 -7.493 -0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.599 -6.849 -2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.447 -7.186 -3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.606 -9.695 -2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.900 -8.564 -3.205 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.039 -8.344 -5.353 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.221 -10.805 -3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.457 -11.637 -5.497 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.349 -9.412 -7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.387 -10.839 -7.402 1.00 0.00 H new ATOM 791 N HIS A 56 -10.878 -7.879 -4.741 1.00 0.00 N ATOM 792 CA HIS A 56 -10.790 -8.287 -6.133 1.00 0.00 C ATOM 793 C HIS A 56 -10.554 -9.797 -6.212 1.00 0.00 C ATOM 794 O HIS A 56 -10.130 -10.415 -5.237 1.00 0.00 O ATOM 795 CB HIS A 56 -9.717 -7.481 -6.868 1.00 0.00 C ATOM 796 CG HIS A 56 -9.850 -7.510 -8.372 1.00 0.00 C ATOM 797 ND1 HIS A 56 -9.025 -8.269 -9.183 1.00 0.00 N ATOM 798 CD2 HIS A 56 -10.719 -6.867 -9.203 1.00 0.00 C ATOM 799 CE1 HIS A 56 -9.390 -8.083 -10.443 1.00 0.00 C ATOM 800 NE2 HIS A 56 -10.440 -7.213 -10.453 1.00 0.00 N ATOM 0 H HIS A 56 -10.407 -7.001 -4.523 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.732 -8.075 -6.638 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.759 -6.446 -6.530 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.735 -7.866 -6.593 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -11.502 -6.190 -8.895 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.936 -8.540 -11.310 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.930 -6.883 -11.284 1.00 0.00 H new ATOM 807 N GLU A 57 -10.840 -10.348 -7.383 1.00 0.00 N ATOM 808 CA GLU A 57 -10.665 -11.773 -7.602 1.00 0.00 C ATOM 809 C GLU A 57 -9.368 -12.255 -6.950 1.00 0.00 C ATOM 810 O GLU A 57 -9.368 -13.236 -6.207 1.00 0.00 O ATOM 811 CB GLU A 57 -10.685 -12.105 -9.095 1.00 0.00 C ATOM 812 CG GLU A 57 -10.393 -13.588 -9.332 1.00 0.00 C ATOM 813 CD GLU A 57 -11.409 -14.200 -10.298 1.00 0.00 C ATOM 814 OE1 GLU A 57 -12.438 -14.736 -9.860 1.00 0.00 O ATOM 815 OE2 GLU A 57 -11.099 -14.104 -11.548 1.00 0.00 O ATOM 0 H GLU A 57 -11.192 -9.833 -8.190 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.499 -12.297 -7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.658 -11.851 -9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.945 -11.497 -9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.387 -13.704 -9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.420 -14.124 -8.383 1.00 0.00 H new ATOM 821 N GLN A 58 -8.292 -11.543 -7.253 1.00 0.00 N ATOM 822 CA GLN A 58 -6.990 -11.885 -6.706 1.00 0.00 C ATOM 823 C GLN A 58 -6.453 -10.734 -5.853 1.00 0.00 C ATOM 824 O GLN A 58 -6.654 -9.567 -6.182 1.00 0.00 O ATOM 825 CB GLN A 58 -6.005 -12.249 -7.820 1.00 0.00 C ATOM 826 CG GLN A 58 -6.493 -13.468 -8.606 1.00 0.00 C ATOM 827 CD GLN A 58 -6.605 -13.148 -10.097 1.00 0.00 C ATOM 828 OE1 GLN A 58 -7.355 -12.283 -10.519 1.00 0.00 O ATOM 829 NE2 GLN A 58 -5.820 -13.894 -10.872 1.00 0.00 N ATOM 0 H GLN A 58 -8.295 -10.731 -7.870 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.105 -12.761 -6.068 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.884 -11.401 -8.495 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.025 -12.457 -7.390 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.804 -14.300 -8.459 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.463 -13.787 -8.225 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.215 -14.602 -10.455 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.823 -13.758 -11.883 1.00 0.00 H new ATOM 836 N ILE A 59 -5.779 -11.105 -4.774 1.00 0.00 N ATOM 837 CA ILE A 59 -5.212 -10.118 -3.870 1.00 0.00 C ATOM 838 C ILE A 59 -3.766 -10.500 -3.549 1.00 0.00 C ATOM 839 O ILE A 59 -3.327 -11.606 -3.860 1.00 0.00 O ATOM 840 CB ILE A 59 -6.095 -9.955 -2.632 1.00 0.00 C ATOM 841 CG1 ILE A 59 -5.617 -10.859 -1.495 1.00 0.00 C ATOM 842 CG2 ILE A 59 -7.567 -10.192 -2.972 1.00 0.00 C ATOM 843 CD1 ILE A 59 -4.944 -10.041 -0.390 1.00 0.00 C ATOM 0 H ILE A 59 -5.613 -12.075 -4.505 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.186 -9.137 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.007 -8.926 -2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.463 -11.408 -1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.916 -11.598 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.172 -10.070 -2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.887 -9.472 -3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.693 -11.203 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.613 -10.708 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.084 -9.512 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.655 -9.319 0.013 1.00 0.00 H new ATOM 854 N ILE A 60 -3.063 -9.562 -2.929 1.00 0.00 N ATOM 855 CA ILE A 60 -1.675 -9.786 -2.562 1.00 0.00 C ATOM 856 C ILE A 60 -1.420 -9.201 -1.171 1.00 0.00 C ATOM 857 O ILE A 60 -2.094 -8.260 -0.756 1.00 0.00 O ATOM 858 CB ILE A 60 -0.740 -9.237 -3.641 1.00 0.00 C ATOM 859 CG1 ILE A 60 -0.804 -10.091 -4.909 1.00 0.00 C ATOM 860 CG2 ILE A 60 0.688 -9.102 -3.111 1.00 0.00 C ATOM 861 CD1 ILE A 60 0.455 -9.906 -5.758 1.00 0.00 C ATOM 0 H ILE A 60 -3.429 -8.645 -2.672 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.464 -10.854 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.079 -8.237 -3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.914 -11.141 -4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.684 -9.818 -5.492 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.333 -8.710 -3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.698 -8.420 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.053 -10.080 -2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.384 -10.524 -6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.549 -8.859 -6.046 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.330 -10.203 -5.180 1.00 0.00 H new ATOM 872 N PHE A 61 -0.446 -9.786 -0.489 1.00 0.00 N ATOM 873 CA PHE A 61 -0.093 -9.334 0.846 1.00 0.00 C ATOM 874 C PHE A 61 1.391 -8.971 0.928 1.00 0.00 C ATOM 875 O PHE A 61 2.150 -9.234 -0.003 1.00 0.00 O ATOM 876 CB PHE A 61 -0.374 -10.497 1.800 1.00 0.00 C ATOM 877 CG PHE A 61 -1.724 -10.404 2.514 1.00 0.00 C ATOM 878 CD1 PHE A 61 -2.819 -9.958 1.842 1.00 0.00 C ATOM 879 CD2 PHE A 61 -1.829 -10.768 3.821 1.00 0.00 C ATOM 880 CE1 PHE A 61 -4.072 -9.873 2.505 1.00 0.00 C ATOM 881 CE2 PHE A 61 -3.082 -10.682 4.483 1.00 0.00 C ATOM 882 CZ PHE A 61 -4.177 -10.236 3.811 1.00 0.00 C ATOM 0 H PHE A 61 0.109 -10.568 -0.836 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.671 -8.447 1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.335 -11.431 1.239 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.418 -10.540 2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.736 -9.669 0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.959 -11.122 4.355 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.942 -9.520 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.166 -10.971 5.520 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.130 -10.170 4.315 1.00 0.00 H new ATOM 891 N HIS A 62 1.760 -8.371 2.050 1.00 0.00 N ATOM 892 CA HIS A 62 3.139 -7.968 2.266 1.00 0.00 C ATOM 893 C HIS A 62 3.271 -7.304 3.638 1.00 0.00 C ATOM 894 O HIS A 62 2.323 -7.297 4.422 1.00 0.00 O ATOM 895 CB HIS A 62 3.628 -7.074 1.125 1.00 0.00 C ATOM 896 CG HIS A 62 3.860 -5.637 1.526 1.00 0.00 C ATOM 897 ND1 HIS A 62 5.114 -5.137 1.831 1.00 0.00 N ATOM 898 CD2 HIS A 62 2.987 -4.599 1.669 1.00 0.00 C ATOM 899 CE1 HIS A 62 4.989 -3.855 2.142 1.00 0.00 C ATOM 900 NE2 HIS A 62 3.670 -3.525 2.042 1.00 0.00 N ATOM 0 H HIS A 62 1.127 -8.154 2.820 1.00 0.00 H new ATOM 0 HA HIS A 62 3.783 -8.847 2.263 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.557 -7.484 0.728 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.897 -7.101 0.317 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.920 -4.644 1.506 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.791 -3.189 2.425 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.273 -2.603 2.224 1.00 0.00 H new ATOM 907 N CYS A 63 4.455 -6.761 3.885 1.00 0.00 N ATOM 908 CA CYS A 63 4.723 -6.096 5.149 1.00 0.00 C ATOM 909 C CYS A 63 6.159 -5.568 5.118 1.00 0.00 C ATOM 910 O CYS A 63 6.860 -5.723 4.120 1.00 0.00 O ATOM 911 CB CYS A 63 4.482 -7.025 6.340 1.00 0.00 C ATOM 912 SG CYS A 63 5.792 -8.301 6.414 1.00 0.00 S ATOM 0 H CYS A 63 5.238 -6.768 3.232 1.00 0.00 H new ATOM 0 HA CYS A 63 4.033 -5.262 5.278 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.472 -6.449 7.265 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.505 -7.500 6.249 1.00 0.00 H new ATOM 0 HG CYS A 63 6.955 -7.737 6.279 1.00 0.00 H new ATOM 917 N GLN A 64 6.554 -4.955 6.225 1.00 0.00 N ATOM 918 CA GLN A 64 7.894 -4.403 6.336 1.00 0.00 C ATOM 919 C GLN A 64 8.929 -5.423 5.858 1.00 0.00 C ATOM 920 O GLN A 64 8.583 -6.555 5.525 1.00 0.00 O ATOM 921 CB GLN A 64 8.185 -3.958 7.771 1.00 0.00 C ATOM 922 CG GLN A 64 7.484 -2.636 8.087 1.00 0.00 C ATOM 923 CD GLN A 64 8.072 -1.991 9.345 1.00 0.00 C ATOM 924 OE1 GLN A 64 9.169 -2.301 9.777 1.00 0.00 O ATOM 925 NE2 GLN A 64 7.282 -1.078 9.904 1.00 0.00 N ATOM 0 H GLN A 64 5.970 -4.829 7.052 1.00 0.00 H new ATOM 0 HA GLN A 64 7.958 -3.523 5.697 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.852 -4.726 8.469 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.260 -3.846 7.910 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.587 -1.955 7.242 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.417 -2.810 8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.374 -0.867 9.490 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.584 -0.589 10.747 1.00 0.00 H new ATOM 932 N ALA A 65 10.179 -4.984 5.838 1.00 0.00 N ATOM 933 CA ALA A 65 11.267 -5.845 5.407 1.00 0.00 C ATOM 934 C ALA A 65 11.631 -6.808 6.538 1.00 0.00 C ATOM 935 O ALA A 65 12.778 -6.845 6.982 1.00 0.00 O ATOM 936 CB ALA A 65 12.455 -4.985 4.969 1.00 0.00 C ATOM 0 H ALA A 65 10.462 -4.044 6.113 1.00 0.00 H new ATOM 0 HA ALA A 65 10.964 -6.445 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.272 -5.630 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.153 -4.341 4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.788 -4.371 5.806 1.00 0.00 H new ATOM 942 N GLY A 66 10.633 -7.564 6.972 1.00 0.00 N ATOM 943 CA GLY A 66 10.833 -8.525 8.044 1.00 0.00 C ATOM 944 C GLY A 66 10.509 -9.944 7.575 1.00 0.00 C ATOM 945 O GLY A 66 11.134 -10.906 8.018 1.00 0.00 O ATOM 0 H GLY A 66 9.684 -7.531 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.866 -8.479 8.390 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.200 -8.265 8.893 1.00 0.00 H new ATOM 949 N LYS A 67 9.533 -10.031 6.683 1.00 0.00 N ATOM 950 CA LYS A 67 9.119 -11.317 6.149 1.00 0.00 C ATOM 951 C LYS A 67 8.236 -12.030 7.174 1.00 0.00 C ATOM 952 O LYS A 67 8.566 -13.123 7.630 1.00 0.00 O ATOM 953 CB LYS A 67 10.338 -12.134 5.713 1.00 0.00 C ATOM 954 CG LYS A 67 9.921 -13.313 4.832 1.00 0.00 C ATOM 955 CD LYS A 67 11.091 -14.275 4.613 1.00 0.00 C ATOM 956 CE LYS A 67 10.618 -15.729 4.645 1.00 0.00 C ATOM 957 NZ LYS A 67 10.536 -16.277 3.272 1.00 0.00 N ATOM 0 H LYS A 67 9.017 -9.231 6.317 1.00 0.00 H new ATOM 0 HA LYS A 67 8.518 -11.180 5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.032 -11.495 5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.867 -12.502 6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.091 -13.844 5.298 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.564 -12.945 3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.565 -14.064 3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.845 -14.117 5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.305 -16.328 5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.642 -15.790 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.213 -17.265 3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.863 -15.715 2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.474 -16.237 2.826 1.00 0.00 H new ATOM 966 N ARG A 68 7.129 -11.381 7.506 1.00 0.00 N ATOM 967 CA ARG A 68 6.195 -11.940 8.469 1.00 0.00 C ATOM 968 C ARG A 68 5.027 -12.614 7.747 1.00 0.00 C ATOM 969 O ARG A 68 4.444 -13.569 8.259 1.00 0.00 O ATOM 970 CB ARG A 68 5.651 -10.855 9.401 1.00 0.00 C ATOM 971 CG ARG A 68 6.252 -10.986 10.803 1.00 0.00 C ATOM 972 CD ARG A 68 7.282 -9.885 11.062 1.00 0.00 C ATOM 973 NE ARG A 68 7.254 -9.491 12.489 1.00 0.00 N ATOM 974 CZ ARG A 68 8.080 -8.576 13.038 1.00 0.00 C ATOM 975 NH1 ARG A 68 9.007 -7.949 12.282 1.00 0.00 N ATOM 976 NH2 ARG A 68 7.967 -8.301 14.324 1.00 0.00 N ATOM 0 H ARG A 68 6.858 -10.474 7.126 1.00 0.00 H new ATOM 0 HA ARG A 68 6.734 -12.678 9.063 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.881 -9.871 8.993 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.565 -10.930 9.458 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.459 -10.930 11.549 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.723 -11.963 10.911 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.278 -10.237 10.793 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.068 -9.021 10.433 1.00 0.00 H new ATOM 0 HE ARG A 68 6.567 -9.939 13.095 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.086 -8.166 11.288 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.628 -7.259 12.705 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.263 -8.778 14.888 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.584 -7.612 14.754 1.00 0.00 H new ATOM 986 N THR A 69 4.720 -12.091 6.569 1.00 0.00 N ATOM 987 CA THR A 69 3.632 -12.630 5.771 1.00 0.00 C ATOM 988 C THR A 69 3.736 -14.155 5.689 1.00 0.00 C ATOM 989 O THR A 69 2.722 -14.846 5.595 1.00 0.00 O ATOM 990 CB THR A 69 3.664 -11.945 4.404 1.00 0.00 C ATOM 991 OG1 THR A 69 4.963 -12.239 3.898 1.00 0.00 O ATOM 992 CG2 THR A 69 3.643 -10.419 4.513 1.00 0.00 C ATOM 0 H THR A 69 5.206 -11.299 6.148 1.00 0.00 H new ATOM 0 HA THR A 69 2.665 -12.425 6.231 1.00 0.00 H new ATOM 0 HB THR A 69 2.812 -12.278 3.812 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.258 -11.512 3.311 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.667 -9.983 3.514 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.734 -10.103 5.025 1.00 0.00 H new ATOM 0 HG23 THR A 69 4.513 -10.083 5.077 1.00 0.00 H new ATOM 1000 N SER A 70 4.971 -14.635 5.727 1.00 0.00 N ATOM 1001 CA SER A 70 5.220 -16.064 5.659 1.00 0.00 C ATOM 1002 C SER A 70 5.065 -16.690 7.046 1.00 0.00 C ATOM 1003 O SER A 70 4.709 -17.862 7.167 1.00 0.00 O ATOM 1004 CB SER A 70 6.614 -16.354 5.099 1.00 0.00 C ATOM 1005 OG SER A 70 7.643 -15.987 6.013 1.00 0.00 O ATOM 0 H SER A 70 5.809 -14.059 5.804 1.00 0.00 H new ATOM 0 HA SER A 70 4.487 -16.506 4.984 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.698 -17.416 4.866 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.749 -15.811 4.164 1.00 0.00 H new ATOM 0 HG SER A 70 8.071 -16.795 6.366 1.00 0.00 H new ATOM 1010 N ASN A 71 5.338 -15.881 8.059 1.00 0.00 N ATOM 1011 CA ASN A 71 5.234 -16.341 9.433 1.00 0.00 C ATOM 1012 C ASN A 71 3.757 -16.475 9.810 1.00 0.00 C ATOM 1013 O ASN A 71 3.420 -17.140 10.789 1.00 0.00 O ATOM 1014 CB ASN A 71 5.879 -15.344 10.398 1.00 0.00 C ATOM 1015 CG ASN A 71 7.344 -15.699 10.655 1.00 0.00 C ATOM 1016 OD1 ASN A 71 7.692 -16.351 11.627 1.00 0.00 O ATOM 1017 ND2 ASN A 71 8.183 -15.237 9.731 1.00 0.00 N ATOM 0 H ASN A 71 5.631 -14.910 7.956 1.00 0.00 H new ATOM 0 HA ASN A 71 5.748 -17.299 9.508 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.812 -14.338 9.985 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.332 -15.339 11.341 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.183 -15.422 9.812 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.826 -14.698 8.942 1.00 0.00 H new ATOM 1023 N ASN A 72 2.915 -15.833 9.014 1.00 0.00 N ATOM 1024 CA ASN A 72 1.482 -15.873 9.252 1.00 0.00 C ATOM 1025 C ASN A 72 0.751 -16.026 7.917 1.00 0.00 C ATOM 1026 O ASN A 72 -0.339 -15.486 7.735 1.00 0.00 O ATOM 1027 CB ASN A 72 0.997 -14.579 9.910 1.00 0.00 C ATOM 1028 CG ASN A 72 1.755 -14.308 11.211 1.00 0.00 C ATOM 1029 OD1 ASN A 72 1.326 -14.667 12.296 1.00 0.00 O ATOM 1030 ND2 ASN A 72 2.901 -13.656 11.044 1.00 0.00 N ATOM 0 H ASN A 72 3.198 -15.282 8.203 1.00 0.00 H new ATOM 0 HA ASN A 72 1.274 -16.715 9.913 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.135 -13.744 9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.071 -14.649 10.115 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.480 -13.427 11.852 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.202 -13.385 10.108 1.00 0.00 H new ATOM 1036 N ALA A 73 1.382 -16.766 7.016 1.00 0.00 N ATOM 1037 CA ALA A 73 0.806 -16.997 5.703 1.00 0.00 C ATOM 1038 C ALA A 73 -0.313 -18.034 5.816 1.00 0.00 C ATOM 1039 O ALA A 73 -0.970 -18.356 4.827 1.00 0.00 O ATOM 1040 CB ALA A 73 1.906 -17.431 4.731 1.00 0.00 C ATOM 0 H ALA A 73 2.286 -17.213 7.170 1.00 0.00 H new ATOM 0 HA ALA A 73 0.367 -16.080 5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.473 -17.604 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.661 -16.648 4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.368 -18.350 5.091 1.00 0.00 H new ATOM 1046 N ASP A 74 -0.496 -18.529 7.032 1.00 0.00 N ATOM 1047 CA ASP A 74 -1.524 -19.523 7.288 1.00 0.00 C ATOM 1048 C ASP A 74 -2.821 -18.817 7.693 1.00 0.00 C ATOM 1049 O ASP A 74 -3.887 -19.119 7.159 1.00 0.00 O ATOM 1050 CB ASP A 74 -1.117 -20.454 8.432 1.00 0.00 C ATOM 1051 CG ASP A 74 -2.097 -21.593 8.720 1.00 0.00 C ATOM 1052 OD1 ASP A 74 -2.516 -22.321 7.807 1.00 0.00 O ATOM 1053 OD2 ASP A 74 -2.436 -21.721 9.958 1.00 0.00 O ATOM 0 H ASP A 74 0.050 -18.260 7.850 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.662 -20.107 6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.142 -20.884 8.201 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.997 -19.860 9.338 1.00 0.00 H new ATOM 1058 N LYS A 75 -2.685 -17.893 8.631 1.00 0.00 N ATOM 1059 CA LYS A 75 -3.832 -17.142 9.112 1.00 0.00 C ATOM 1060 C LYS A 75 -4.191 -16.058 8.093 1.00 0.00 C ATOM 1061 O LYS A 75 -5.287 -16.067 7.534 1.00 0.00 O ATOM 1062 CB LYS A 75 -3.567 -16.600 10.518 1.00 0.00 C ATOM 1063 CG LYS A 75 -4.436 -17.313 11.555 1.00 0.00 C ATOM 1064 CD LYS A 75 -5.923 -17.141 11.235 1.00 0.00 C ATOM 1065 CE LYS A 75 -6.562 -16.091 12.147 1.00 0.00 C ATOM 1066 NZ LYS A 75 -7.920 -15.748 11.670 1.00 0.00 N ATOM 0 H LYS A 75 -1.798 -17.647 9.071 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.701 -17.793 9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.514 -16.731 10.769 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.770 -15.529 10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.185 -18.374 11.578 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.225 -16.914 12.547 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.043 -16.844 10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.437 -18.094 11.356 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.614 -16.470 13.168 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.941 -15.195 12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.339 -15.034 12.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.863 -15.366 10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.514 -16.602 11.670 1.00 0.00 H new ATOM 1075 N LEU A 76 -3.249 -15.152 7.883 1.00 0.00 N ATOM 1076 CA LEU A 76 -3.451 -14.065 6.942 1.00 0.00 C ATOM 1077 C LEU A 76 -4.203 -14.590 5.717 1.00 0.00 C ATOM 1078 O LEU A 76 -4.956 -13.853 5.082 1.00 0.00 O ATOM 1079 CB LEU A 76 -2.119 -13.392 6.604 1.00 0.00 C ATOM 1080 CG LEU A 76 -1.501 -12.536 7.711 1.00 0.00 C ATOM 1081 CD1 LEU A 76 -0.158 -11.953 7.267 1.00 0.00 C ATOM 1082 CD2 LEU A 76 -2.473 -11.449 8.172 1.00 0.00 C ATOM 0 H LEU A 76 -2.342 -15.148 8.349 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.070 -13.286 7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.403 -14.166 6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.264 -12.764 5.725 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.306 -13.178 8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.260 -11.349 8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.529 -12.764 7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.306 -11.330 6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.008 -10.855 8.959 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.723 -10.803 7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.382 -11.913 8.556 1.00 0.00 H new ATOM 1093 N ALA A 77 -3.973 -15.861 5.422 1.00 0.00 N ATOM 1094 CA ALA A 77 -4.620 -16.494 4.285 1.00 0.00 C ATOM 1095 C ALA A 77 -6.126 -16.575 4.540 1.00 0.00 C ATOM 1096 O ALA A 77 -6.906 -15.870 3.902 1.00 0.00 O ATOM 1097 CB ALA A 77 -3.994 -17.869 4.042 1.00 0.00 C ATOM 0 H ALA A 77 -3.348 -16.470 5.950 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.471 -15.904 3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.479 -18.344 3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.930 -17.753 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.126 -18.491 4.927 1.00 0.00 H new ATOM 1103 N ALA A 78 -6.490 -17.443 5.474 1.00 0.00 N ATOM 1104 CA ALA A 78 -7.889 -17.626 5.821 1.00 0.00 C ATOM 1105 C ALA A 78 -8.601 -16.272 5.779 1.00 0.00 C ATOM 1106 O ALA A 78 -9.792 -16.203 5.477 1.00 0.00 O ATOM 1107 CB ALA A 78 -7.991 -18.297 7.192 1.00 0.00 C ATOM 0 H ALA A 78 -5.840 -18.027 6.001 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.381 -18.280 5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.040 -18.434 7.453 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.495 -19.267 7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.510 -17.668 7.941 1.00 0.00 H new ATOM 1113 N ILE A 79 -7.843 -15.230 6.086 1.00 0.00 N ATOM 1114 CA ILE A 79 -8.387 -13.884 6.087 1.00 0.00 C ATOM 1115 C ILE A 79 -8.830 -13.515 4.669 1.00 0.00 C ATOM 1116 O ILE A 79 -9.985 -13.155 4.450 1.00 0.00 O ATOM 1117 CB ILE A 79 -7.383 -12.901 6.692 1.00 0.00 C ATOM 1118 CG1 ILE A 79 -7.693 -12.639 8.168 1.00 0.00 C ATOM 1119 CG2 ILE A 79 -7.325 -11.605 5.880 1.00 0.00 C ATOM 1120 CD1 ILE A 79 -6.458 -12.111 8.902 1.00 0.00 C ATOM 0 H ILE A 79 -6.856 -15.291 6.336 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.272 -13.832 6.721 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.393 -13.354 6.646 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.506 -11.917 8.250 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.035 -13.560 8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.604 -10.924 6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.021 -11.829 4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -8.309 -11.137 5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.705 -11.933 9.949 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.655 -12.846 8.839 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.133 -11.178 8.442 1.00 0.00 H new ATOM 1131 N ALA A 80 -7.887 -13.618 3.744 1.00 0.00 N ATOM 1132 CA ALA A 80 -8.165 -13.301 2.353 1.00 0.00 C ATOM 1133 C ALA A 80 -8.744 -14.535 1.659 1.00 0.00 C ATOM 1134 O ALA A 80 -9.730 -14.436 0.931 1.00 0.00 O ATOM 1135 CB ALA A 80 -6.887 -12.798 1.678 1.00 0.00 C ATOM 0 H ALA A 80 -6.930 -13.916 3.930 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.906 -12.505 2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.096 -12.560 0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.533 -11.903 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.121 -13.572 1.728 1.00 0.00 H new ATOM 1141 N ALA A 81 -8.107 -15.669 1.909 1.00 0.00 N ATOM 1142 CA ALA A 81 -8.547 -16.921 1.317 1.00 0.00 C ATOM 1143 C ALA A 81 -10.076 -16.973 1.320 1.00 0.00 C ATOM 1144 O ALA A 81 -10.726 -16.191 2.014 1.00 0.00 O ATOM 1145 CB ALA A 81 -7.923 -18.093 2.079 1.00 0.00 C ATOM 0 H ALA A 81 -7.289 -15.747 2.514 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.217 -16.992 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.253 -19.032 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.836 -18.027 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.235 -18.056 3.123 1.00 0.00 H new ATOM 1151 N PRO A 82 -10.621 -17.924 0.516 1.00 0.00 N ATOM 1152 CA PRO A 82 -9.780 -18.810 -0.271 1.00 0.00 C ATOM 1153 C PRO A 82 -9.192 -18.076 -1.480 1.00 0.00 C ATOM 1154 O PRO A 82 -8.441 -18.659 -2.259 1.00 0.00 O ATOM 1155 CB PRO A 82 -10.684 -19.967 -0.661 1.00 0.00 C ATOM 1156 CG PRO A 82 -12.107 -19.467 -0.475 1.00 0.00 C ATOM 1157 CD PRO A 82 -12.046 -18.184 0.337 1.00 0.00 C ATOM 0 HA PRO A 82 -8.913 -19.169 0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -10.508 -20.269 -1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.492 -20.840 -0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.577 -19.285 -1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -12.711 -20.215 0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.536 -17.362 -0.185 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.551 -18.298 1.296 1.00 0.00 H new ATOM 1162 N ALA A 83 -9.558 -16.808 -1.596 1.00 0.00 N ATOM 1163 CA ALA A 83 -9.077 -15.989 -2.696 1.00 0.00 C ATOM 1164 C ALA A 83 -7.599 -16.292 -2.943 1.00 0.00 C ATOM 1165 O ALA A 83 -6.914 -16.818 -2.067 1.00 0.00 O ATOM 1166 CB ALA A 83 -9.325 -14.513 -2.379 1.00 0.00 C ATOM 0 H ALA A 83 -10.181 -16.328 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.618 -16.221 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.964 -13.898 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.393 -14.345 -2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.794 -14.243 -1.466 1.00 0.00 H new ATOM 1172 N GLU A 84 -7.149 -15.948 -4.141 1.00 0.00 N ATOM 1173 CA GLU A 84 -5.764 -16.177 -4.515 1.00 0.00 C ATOM 1174 C GLU A 84 -4.870 -15.076 -3.940 1.00 0.00 C ATOM 1175 O GLU A 84 -4.846 -13.960 -4.456 1.00 0.00 O ATOM 1176 CB GLU A 84 -5.614 -16.267 -6.035 1.00 0.00 C ATOM 1177 CG GLU A 84 -6.006 -17.656 -6.543 1.00 0.00 C ATOM 1178 CD GLU A 84 -4.837 -18.636 -6.419 1.00 0.00 C ATOM 1179 OE1 GLU A 84 -3.773 -18.411 -7.014 1.00 0.00 O ATOM 1180 OE2 GLU A 84 -5.063 -19.663 -5.671 1.00 0.00 O ATOM 0 H GLU A 84 -7.720 -15.512 -4.865 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.448 -17.132 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.239 -15.512 -6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.583 -16.051 -6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.859 -18.028 -5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.321 -17.591 -7.584 1.00 0.00 H new ATOM 1186 N ILE A 85 -4.157 -15.430 -2.881 1.00 0.00 N ATOM 1187 CA ILE A 85 -3.264 -14.485 -2.231 1.00 0.00 C ATOM 1188 C ILE A 85 -1.817 -14.822 -2.598 1.00 0.00 C ATOM 1189 O ILE A 85 -1.536 -15.913 -3.091 1.00 0.00 O ATOM 1190 CB ILE A 85 -3.525 -14.452 -0.724 1.00 0.00 C ATOM 1191 CG1 ILE A 85 -4.821 -13.703 -0.407 1.00 0.00 C ATOM 1192 CG2 ILE A 85 -2.327 -13.868 0.027 1.00 0.00 C ATOM 1193 CD1 ILE A 85 -5.831 -13.849 -1.547 1.00 0.00 C ATOM 0 H ILE A 85 -4.179 -16.357 -2.457 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.456 -13.473 -2.587 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.654 -15.477 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.252 -14.089 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.604 -12.648 -0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.539 -13.856 1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.445 -14.481 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.142 -12.851 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.743 -13.307 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.406 -13.440 -2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.064 -14.904 -1.694 1.00 0.00 H new ATOM 1204 N PHE A 86 -0.937 -13.865 -2.343 1.00 0.00 N ATOM 1205 CA PHE A 86 0.472 -14.047 -2.639 1.00 0.00 C ATOM 1206 C PHE A 86 1.343 -13.214 -1.696 1.00 0.00 C ATOM 1207 O PHE A 86 0.840 -12.346 -0.985 1.00 0.00 O ATOM 1208 CB PHE A 86 0.693 -13.565 -4.075 1.00 0.00 C ATOM 1209 CG PHE A 86 -0.108 -14.343 -5.121 1.00 0.00 C ATOM 1210 CD1 PHE A 86 0.360 -15.528 -5.594 1.00 0.00 C ATOM 1211 CD2 PHE A 86 -1.290 -13.847 -5.579 1.00 0.00 C ATOM 1212 CE1 PHE A 86 -0.384 -16.249 -6.565 1.00 0.00 C ATOM 1213 CE2 PHE A 86 -2.034 -14.567 -6.551 1.00 0.00 C ATOM 1214 CZ PHE A 86 -1.565 -15.753 -7.023 1.00 0.00 C ATOM 0 H PHE A 86 -1.174 -12.961 -1.934 1.00 0.00 H new ATOM 0 HA PHE A 86 0.746 -15.095 -2.514 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.426 -12.510 -4.139 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.754 -13.641 -4.314 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.298 -15.921 -5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.662 -12.905 -5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.012 -17.191 -6.940 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.971 -14.173 -6.915 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.130 -16.301 -7.762 1.00 0.00 H new ATOM 1223 N LEU A 87 2.635 -13.509 -1.720 1.00 0.00 N ATOM 1224 CA LEU A 87 3.580 -12.800 -0.876 1.00 0.00 C ATOM 1225 C LEU A 87 4.542 -11.998 -1.756 1.00 0.00 C ATOM 1226 O LEU A 87 5.377 -12.573 -2.451 1.00 0.00 O ATOM 1227 CB LEU A 87 4.282 -13.769 0.077 1.00 0.00 C ATOM 1228 CG LEU A 87 4.062 -13.521 1.570 1.00 0.00 C ATOM 1229 CD1 LEU A 87 2.603 -13.769 1.958 1.00 0.00 C ATOM 1230 CD2 LEU A 87 5.029 -14.353 2.413 1.00 0.00 C ATOM 0 H LEU A 87 3.049 -14.230 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 87 3.058 -12.086 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.949 -14.781 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.353 -13.732 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 87 4.276 -12.472 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.474 -13.586 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.957 -13.097 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.337 -14.802 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.851 -14.157 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.872 -15.412 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.055 -14.084 2.162 1.00 0.00 H new ATOM 1241 N LEU A 88 4.391 -10.683 -1.697 1.00 0.00 N ATOM 1242 CA LEU A 88 5.236 -9.796 -2.480 1.00 0.00 C ATOM 1243 C LEU A 88 6.658 -9.828 -1.919 1.00 0.00 C ATOM 1244 O LEU A 88 7.110 -8.860 -1.309 1.00 0.00 O ATOM 1245 CB LEU A 88 4.629 -8.394 -2.541 1.00 0.00 C ATOM 1246 CG LEU A 88 5.415 -7.357 -3.345 1.00 0.00 C ATOM 1247 CD1 LEU A 88 5.408 -7.700 -4.837 1.00 0.00 C ATOM 1248 CD2 LEU A 88 4.892 -5.945 -3.080 1.00 0.00 C ATOM 0 H LEU A 88 3.696 -10.210 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 88 5.294 -10.137 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.628 -8.471 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.515 -8.024 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 88 6.453 -7.383 -3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.974 -6.947 -5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.865 -8.678 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.381 -7.719 -5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.469 -5.228 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.842 -5.886 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.992 -5.713 -2.020 1.00 0.00 H new ATOM 1259 N GLU A 89 7.325 -10.950 -2.145 1.00 0.00 N ATOM 1260 CA GLU A 89 8.688 -11.120 -1.669 1.00 0.00 C ATOM 1261 C GLU A 89 8.692 -11.438 -0.173 1.00 0.00 C ATOM 1262 O GLU A 89 7.749 -12.039 0.340 1.00 0.00 O ATOM 1263 CB GLU A 89 9.531 -9.879 -1.968 1.00 0.00 C ATOM 1264 CG GLU A 89 10.915 -10.270 -2.491 1.00 0.00 C ATOM 1265 CD GLU A 89 10.802 -11.148 -3.738 1.00 0.00 C ATOM 1266 OE1 GLU A 89 9.800 -11.067 -4.465 1.00 0.00 O ATOM 1267 OE2 GLU A 89 11.802 -11.936 -3.943 1.00 0.00 O ATOM 0 H GLU A 89 6.947 -11.751 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 89 9.136 -11.960 -2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.022 -9.258 -2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.636 -9.280 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.486 -9.372 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.464 -10.804 -1.715 1.00 0.00 H new ATOM 1273 N ASP A 90 9.763 -11.022 0.486 1.00 0.00 N ATOM 1274 CA ASP A 90 9.903 -11.256 1.912 1.00 0.00 C ATOM 1275 C ASP A 90 10.064 -9.914 2.631 1.00 0.00 C ATOM 1276 O ASP A 90 11.150 -9.587 3.106 1.00 0.00 O ATOM 1277 CB ASP A 90 11.140 -12.105 2.214 1.00 0.00 C ATOM 1278 CG ASP A 90 12.428 -11.632 1.538 1.00 0.00 C ATOM 1279 OD1 ASP A 90 12.394 -10.885 0.549 1.00 0.00 O ATOM 1280 OD2 ASP A 90 13.517 -12.070 2.074 1.00 0.00 O ATOM 0 H ASP A 90 10.543 -10.524 0.058 1.00 0.00 H new ATOM 0 HA ASP A 90 9.013 -11.782 2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.298 -12.120 3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.942 -13.132 1.906 1.00 0.00 H new ATOM 1285 N GLY A 91 8.966 -9.175 2.688 1.00 0.00 N ATOM 1286 CA GLY A 91 8.971 -7.877 3.341 1.00 0.00 C ATOM 1287 C GLY A 91 9.370 -6.771 2.360 1.00 0.00 C ATOM 1288 O GLY A 91 10.513 -6.315 2.366 1.00 0.00 O ATOM 0 H GLY A 91 8.067 -9.450 2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.982 -7.667 3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.666 -7.891 4.181 1.00 0.00 H new ATOM 1292 N ILE A 92 8.407 -6.375 1.542 1.00 0.00 N ATOM 1293 CA ILE A 92 8.644 -5.332 0.558 1.00 0.00 C ATOM 1294 C ILE A 92 10.098 -5.401 0.088 1.00 0.00 C ATOM 1295 O ILE A 92 10.737 -4.371 -0.121 1.00 0.00 O ATOM 1296 CB ILE A 92 8.243 -3.966 1.118 1.00 0.00 C ATOM 1297 CG1 ILE A 92 7.725 -3.049 0.008 1.00 0.00 C ATOM 1298 CG2 ILE A 92 9.399 -3.331 1.894 1.00 0.00 C ATOM 1299 CD1 ILE A 92 7.422 -1.650 0.550 1.00 0.00 C ATOM 0 H ILE A 92 7.461 -6.757 1.540 1.00 0.00 H new ATOM 0 HA ILE A 92 8.017 -5.487 -0.320 1.00 0.00 H new ATOM 0 HB ILE A 92 7.424 -4.112 1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 92 8.466 -2.982 -0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 92 6.823 -3.476 -0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.088 -2.361 2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.680 -3.980 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 92 10.254 -3.199 1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.055 -1.018 -0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.663 -1.718 1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.331 -1.216 0.966 1.00 0.00 H new ATOM 1310 N ASP A 93 10.579 -6.625 -0.066 1.00 0.00 N ATOM 1311 CA ASP A 93 11.946 -6.842 -0.508 1.00 0.00 C ATOM 1312 C ASP A 93 11.948 -7.181 -2.000 1.00 0.00 C ATOM 1313 O ASP A 93 13.004 -7.413 -2.586 1.00 0.00 O ATOM 1314 CB ASP A 93 12.589 -8.011 0.242 1.00 0.00 C ATOM 1315 CG ASP A 93 13.643 -8.787 -0.549 1.00 0.00 C ATOM 1316 OD1 ASP A 93 13.316 -9.703 -1.320 1.00 0.00 O ATOM 1317 OD2 ASP A 93 14.861 -8.413 -0.348 1.00 0.00 O ATOM 0 H ASP A 93 10.046 -7.478 0.107 1.00 0.00 H new ATOM 0 HA ASP A 93 12.512 -5.931 -0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.049 -7.629 1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 93 11.804 -8.703 0.547 1.00 0.00 H new ATOM 1322 N GLY A 94 10.753 -7.197 -2.571 1.00 0.00 N ATOM 1323 CA GLY A 94 10.602 -7.504 -3.984 1.00 0.00 C ATOM 1324 C GLY A 94 10.541 -6.223 -4.818 1.00 0.00 C ATOM 1325 O GLY A 94 11.229 -6.103 -5.831 1.00 0.00 O ATOM 0 H GLY A 94 9.880 -7.002 -2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.437 -8.120 -4.317 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.694 -8.087 -4.139 1.00 0.00 H new ATOM 1329 N TRP A 95 9.711 -5.296 -4.363 1.00 0.00 N ATOM 1330 CA TRP A 95 9.550 -4.029 -5.054 1.00 0.00 C ATOM 1331 C TRP A 95 10.938 -3.414 -5.241 1.00 0.00 C ATOM 1332 O TRP A 95 11.423 -3.297 -6.365 1.00 0.00 O ATOM 1333 CB TRP A 95 8.585 -3.111 -4.301 1.00 0.00 C ATOM 1334 CG TRP A 95 8.326 -1.774 -4.998 1.00 0.00 C ATOM 1335 CD1 TRP A 95 8.556 -0.541 -4.528 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.773 -1.585 -6.318 1.00 0.00 C ATOM 1337 NE1 TRP A 95 8.194 0.426 -5.444 1.00 0.00 N ATOM 1338 CE2 TRP A 95 7.703 -0.231 -6.567 1.00 0.00 C ATOM 1339 CE3 TRP A 95 7.347 -2.530 -7.269 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 7.212 0.304 -7.765 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 6.860 -1.980 -8.460 1.00 0.00 C ATOM 1342 CH2 TRP A 95 6.781 -0.618 -8.727 1.00 0.00 C ATOM 0 H TRP A 95 9.142 -5.398 -3.523 1.00 0.00 H new ATOM 0 HA TRP A 95 9.100 -4.179 -6.035 1.00 0.00 H new ATOM 0 HB2 TRP A 95 7.636 -3.630 -4.168 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.985 -2.919 -3.306 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.973 -0.330 -3.554 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.272 1.435 -5.320 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.392 -3.595 -7.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.168 1.369 -7.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.522 -2.662 -9.226 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.389 -0.272 -9.672 1.00 0.00 H new ATOM 1352 N LYS A 96 11.538 -3.035 -4.122 1.00 0.00 N ATOM 1353 CA LYS A 96 12.860 -2.434 -4.149 1.00 0.00 C ATOM 1354 C LYS A 96 13.819 -3.352 -4.910 1.00 0.00 C ATOM 1355 O LYS A 96 14.812 -2.892 -5.471 1.00 0.00 O ATOM 1356 CB LYS A 96 13.326 -2.100 -2.730 1.00 0.00 C ATOM 1357 CG LYS A 96 13.949 -0.703 -2.671 1.00 0.00 C ATOM 1358 CD LYS A 96 13.106 0.236 -1.806 1.00 0.00 C ATOM 1359 CE LYS A 96 13.384 0.007 -0.318 1.00 0.00 C ATOM 1360 NZ LYS A 96 14.507 0.858 0.135 1.00 0.00 N ATOM 0 H LYS A 96 11.133 -3.133 -3.191 1.00 0.00 H new ATOM 0 HA LYS A 96 12.835 -1.485 -4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.481 -2.154 -2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 96 14.054 -2.841 -2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.959 -0.768 -2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.035 -0.296 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.326 1.271 -2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.048 0.074 -2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.491 0.233 0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.621 -1.042 -0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.683 0.691 1.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.362 0.623 -0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.266 1.859 -0.014 1.00 0.00 H new ATOM 1369 N LYS A 97 13.486 -4.635 -4.906 1.00 0.00 N ATOM 1370 CA LYS A 97 14.304 -5.622 -5.590 1.00 0.00 C ATOM 1371 C LYS A 97 14.610 -5.132 -7.006 1.00 0.00 C ATOM 1372 O LYS A 97 15.756 -5.189 -7.453 1.00 0.00 O ATOM 1373 CB LYS A 97 13.633 -6.997 -5.546 1.00 0.00 C ATOM 1374 CG LYS A 97 14.673 -8.110 -5.394 1.00 0.00 C ATOM 1375 CD LYS A 97 14.731 -8.980 -6.650 1.00 0.00 C ATOM 1376 CE LYS A 97 16.180 -9.258 -7.057 1.00 0.00 C ATOM 1377 NZ LYS A 97 16.306 -10.618 -7.629 1.00 0.00 N ATOM 0 H LYS A 97 12.661 -5.013 -4.440 1.00 0.00 H new ATOM 0 HA LYS A 97 15.260 -5.743 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.929 -7.036 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.057 -7.154 -6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.653 -7.673 -5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.427 -8.728 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.213 -9.922 -6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.209 -8.481 -7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.507 -8.518 -7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.833 -9.160 -6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.295 -10.790 -7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.013 -11.321 -6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.698 -10.699 -8.469 1.00 0.00 H new ATOM 1386 N ALA A 98 13.568 -4.662 -7.674 1.00 0.00 N ATOM 1387 CA ALA A 98 13.710 -4.162 -9.030 1.00 0.00 C ATOM 1388 C ALA A 98 14.057 -2.672 -8.987 1.00 0.00 C ATOM 1389 O ALA A 98 13.861 -1.957 -9.968 1.00 0.00 O ATOM 1390 CB ALA A 98 12.427 -4.439 -9.815 1.00 0.00 C ATOM 0 H ALA A 98 12.620 -4.617 -7.301 1.00 0.00 H new ATOM 0 HA ALA A 98 14.523 -4.675 -9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.535 -4.063 -10.833 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.242 -5.513 -9.842 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.589 -3.939 -9.330 1.00 0.00 H new ATOM 1396 N GLY A 99 14.567 -2.249 -7.839 1.00 0.00 N ATOM 1397 CA GLY A 99 14.943 -0.858 -7.655 1.00 0.00 C ATOM 1398 C GLY A 99 13.834 0.078 -8.140 1.00 0.00 C ATOM 1399 O GLY A 99 14.103 1.058 -8.834 1.00 0.00 O ATOM 0 H GLY A 99 14.728 -2.845 -7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 99 15.148 -0.669 -6.601 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.863 -0.651 -8.201 1.00 0.00 H new ATOM 1403 N LEU A 100 12.611 -0.256 -7.756 1.00 0.00 N ATOM 1404 CA LEU A 100 11.461 0.543 -8.144 1.00 0.00 C ATOM 1405 C LEU A 100 11.093 1.488 -6.998 1.00 0.00 C ATOM 1406 O LEU A 100 11.029 1.073 -5.842 1.00 0.00 O ATOM 1407 CB LEU A 100 10.309 -0.359 -8.592 1.00 0.00 C ATOM 1408 CG LEU A 100 10.674 -1.479 -9.568 1.00 0.00 C ATOM 1409 CD1 LEU A 100 10.023 -2.801 -9.155 1.00 0.00 C ATOM 1410 CD2 LEU A 100 10.321 -1.090 -11.004 1.00 0.00 C ATOM 0 H LEU A 100 12.391 -1.069 -7.180 1.00 0.00 H new ATOM 0 HA LEU A 100 11.702 1.165 -9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.860 -0.808 -7.706 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.545 0.265 -9.055 1.00 0.00 H new ATOM 0 HG LEU A 100 11.753 -1.627 -9.530 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.299 -3.580 -9.866 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.367 -3.080 -8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.939 -2.686 -9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 100 10.590 -1.903 -11.678 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.250 -0.898 -11.076 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.870 -0.191 -11.283 1.00 0.00 H new ATOM 1421 N PRO A 101 10.854 2.775 -7.368 1.00 0.00 N ATOM 1422 CA PRO A 101 10.493 3.782 -6.386 1.00 0.00 C ATOM 1423 C PRO A 101 9.044 3.608 -5.928 1.00 0.00 C ATOM 1424 O PRO A 101 8.155 3.373 -6.746 1.00 0.00 O ATOM 1425 CB PRO A 101 10.743 5.113 -7.076 1.00 0.00 C ATOM 1426 CG PRO A 101 10.788 4.807 -8.565 1.00 0.00 C ATOM 1427 CD PRO A 101 10.920 3.302 -8.728 1.00 0.00 C ATOM 0 HA PRO A 101 11.081 3.707 -5.471 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.951 5.827 -6.847 1.00 0.00 H new ATOM 0 HB3 PRO A 101 11.680 5.558 -6.740 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.884 5.166 -9.056 1.00 0.00 H new ATOM 0 HG3 PRO A 101 11.629 5.317 -9.034 1.00 0.00 H new ATOM 0 HD2 PRO A 101 10.119 2.899 -9.348 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.861 3.037 -9.210 1.00 0.00 H new ATOM 1432 N VAL A 102 8.850 3.730 -4.623 1.00 0.00 N ATOM 1433 CA VAL A 102 7.523 3.590 -4.048 1.00 0.00 C ATOM 1434 C VAL A 102 6.750 4.896 -4.236 1.00 0.00 C ATOM 1435 O VAL A 102 7.288 5.871 -4.758 1.00 0.00 O ATOM 1436 CB VAL A 102 7.631 3.166 -2.582 1.00 0.00 C ATOM 1437 CG1 VAL A 102 6.568 2.121 -2.234 1.00 0.00 C ATOM 1438 CG2 VAL A 102 9.035 2.647 -2.263 1.00 0.00 C ATOM 0 H VAL A 102 9.589 3.924 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 102 6.966 2.806 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 102 7.451 4.046 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.667 1.837 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.576 2.540 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.703 1.241 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.085 2.352 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.256 1.785 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.766 3.433 -2.454 1.00 0.00 H new ATOM 1448 N ALA A 103 5.498 4.874 -3.800 1.00 0.00 N ATOM 1449 CA ALA A 103 4.645 6.044 -3.914 1.00 0.00 C ATOM 1450 C ALA A 103 4.984 7.029 -2.794 1.00 0.00 C ATOM 1451 O ALA A 103 4.168 7.268 -1.905 1.00 0.00 O ATOM 1452 CB ALA A 103 3.178 5.611 -3.886 1.00 0.00 C ATOM 0 H ALA A 103 5.055 4.064 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 103 4.817 6.553 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.538 6.489 -3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.982 4.936 -4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.968 5.099 -2.947 1.00 0.00 H new ATOM 1458 N VAL A 104 6.190 7.573 -2.872 1.00 0.00 N ATOM 1459 CA VAL A 104 6.647 8.526 -1.875 1.00 0.00 C ATOM 1460 C VAL A 104 6.589 9.938 -2.461 1.00 0.00 C ATOM 1461 O VAL A 104 6.885 10.138 -3.638 1.00 0.00 O ATOM 1462 CB VAL A 104 8.043 8.140 -1.384 1.00 0.00 C ATOM 1463 CG1 VAL A 104 9.126 8.718 -2.298 1.00 0.00 C ATOM 1464 CG2 VAL A 104 8.257 8.582 0.066 1.00 0.00 C ATOM 0 H VAL A 104 6.864 7.372 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 104 5.994 8.509 -1.003 1.00 0.00 H new ATOM 0 HB VAL A 104 8.120 7.053 -1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 104 10.109 8.428 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 104 8.993 8.333 -3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.049 9.805 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.257 8.295 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.149 9.664 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.517 8.102 0.706 1.00 0.00 H new ATOM 1474 N ASN A 105 6.206 10.881 -1.613 1.00 0.00 N ATOM 1475 CA ASN A 105 6.105 12.268 -2.032 1.00 0.00 C ATOM 1476 C ASN A 105 5.216 12.358 -3.275 1.00 0.00 C ATOM 1477 O ASN A 105 5.675 12.108 -4.389 1.00 0.00 O ATOM 1478 CB ASN A 105 7.479 12.836 -2.391 1.00 0.00 C ATOM 1479 CG ASN A 105 7.945 13.849 -1.342 1.00 0.00 C ATOM 1480 OD1 ASN A 105 7.226 14.756 -0.956 1.00 0.00 O ATOM 1481 ND2 ASN A 105 9.184 13.643 -0.906 1.00 0.00 N ATOM 0 H ASN A 105 5.962 10.711 -0.637 1.00 0.00 H new ATOM 0 HA ASN A 105 5.683 12.840 -1.206 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.204 12.025 -2.466 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.434 13.315 -3.369 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.588 14.264 -0.205 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.731 12.864 -1.272 1.00 0.00 H new ATOM 1487 N LYS A 106 3.963 12.715 -3.042 1.00 0.00 N ATOM 1488 CA LYS A 106 3.006 12.841 -4.129 1.00 0.00 C ATOM 1489 C LYS A 106 3.545 13.829 -5.165 1.00 0.00 C ATOM 1490 O LYS A 106 3.859 13.444 -6.290 1.00 0.00 O ATOM 1491 CB LYS A 106 1.625 13.212 -3.586 1.00 0.00 C ATOM 1492 CG LYS A 106 0.516 12.602 -4.447 1.00 0.00 C ATOM 1493 CD LYS A 106 0.027 13.599 -5.498 1.00 0.00 C ATOM 1494 CE LYS A 106 -1.012 12.958 -6.421 1.00 0.00 C ATOM 1495 NZ LYS A 106 -0.370 12.471 -7.662 1.00 0.00 N ATOM 0 H LYS A 106 3.587 12.921 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 106 2.877 11.885 -4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.528 12.861 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.518 14.297 -3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.886 11.702 -4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.317 12.299 -3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.407 14.469 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.872 13.955 -6.088 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.501 12.130 -5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.787 13.684 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.088 12.039 -8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.077 13.269 -8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.353 11.763 -7.424 1.00 0.00 H new ATOM 1504 N SER A 107 3.636 15.083 -4.749 1.00 0.00 N ATOM 1505 CA SER A 107 4.132 16.129 -5.627 1.00 0.00 C ATOM 1506 C SER A 107 5.558 15.802 -6.076 1.00 0.00 C ATOM 1507 O SER A 107 5.807 15.602 -7.264 1.00 0.00 O ATOM 1508 CB SER A 107 4.092 17.494 -4.936 1.00 0.00 C ATOM 1509 OG SER A 107 3.729 18.537 -5.835 1.00 0.00 O ATOM 0 H SER A 107 3.375 15.399 -3.815 1.00 0.00 H new ATOM 0 HA SER A 107 3.484 16.177 -6.502 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.380 17.462 -4.111 1.00 0.00 H new ATOM 0 HB3 SER A 107 5.069 17.711 -4.505 1.00 0.00 H new ATOM 0 HG SER A 107 3.713 19.391 -5.355 1.00 0.00 H new ATOM 1514 N GLN A 108 6.456 15.759 -5.103 1.00 0.00 N ATOM 1515 CA GLN A 108 7.850 15.461 -5.384 1.00 0.00 C ATOM 1516 C GLN A 108 8.003 14.000 -5.811 1.00 0.00 C ATOM 1517 O GLN A 108 9.120 13.489 -5.897 1.00 0.00 O ATOM 1518 CB GLN A 108 8.732 15.774 -4.174 1.00 0.00 C ATOM 1519 CG GLN A 108 9.997 16.523 -4.597 1.00 0.00 C ATOM 1520 CD GLN A 108 9.653 17.895 -5.180 1.00 0.00 C ATOM 1521 OE1 GLN A 108 9.546 18.078 -6.382 1.00 0.00 O ATOM 1522 NE2 GLN A 108 9.486 18.846 -4.265 1.00 0.00 N ATOM 0 H GLN A 108 6.245 15.926 -4.119 1.00 0.00 H new ATOM 0 HA GLN A 108 8.180 16.097 -6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.172 16.374 -3.457 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.005 14.847 -3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.657 16.644 -3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.541 15.936 -5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.590 18.625 -3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 108 9.254 19.796 -4.554 1.00 0.00 H new TER 1529 GLN A 108