USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 698 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 THR OG1 : rot 180:sc= -1.35 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -1.4 K(o=-2.7,f=2) USER MOD Set 2.1: A 38 TYR OH : rot 3:sc= 0.0843 USER MOD Set 2.2: A 55 HIS : no HE2:sc= -0.435 X(o=-0.35,f=-0.71) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 8 ASN : amide:sc= -1.89 K(o=-1.9,f=-11!) USER MOD Single : A 9 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.032) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 83:sc= 0.0206 USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= 0.0947 (180deg=0.0297) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.417 K(o=-0.42,f=-5.6!) USER MOD Single : A 30 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 35 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.9!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0602 USER MOD Single : A 48 HIS : no HD1:sc= -1.89 X(o=-1.9,f=-2.3) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -153:sc= -3.22! USER MOD Single : A 57 ASN : amide:sc= -1.32 K(o=-1.3,f=-3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.09) USER MOD Single : A 70 MET CE :methyl -134:sc= -6.72! (180deg=-12.9!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 169:sc= -1.04 (180deg=-1.19) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot -32:sc= 0.662 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -11.1! C(o=-11!,f=-9.9!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.710 -9.080 -5.159 1.00 0.00 N ATOM 38 CA LEU A 3 -0.285 -8.310 -4.418 1.00 0.00 C ATOM 39 C LEU A 3 -1.688 -8.552 -4.968 1.00 0.00 C ATOM 40 O LEU A 3 -1.879 -8.666 -6.177 1.00 0.00 O ATOM 41 CB LEU A 3 0.048 -6.817 -4.475 1.00 0.00 C ATOM 42 CG LEU A 3 -0.057 -6.181 -5.865 1.00 0.00 C ATOM 43 CD1 LEU A 3 -1.005 -4.990 -5.839 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.316 -5.760 -6.366 1.00 0.00 C ATOM 0 HA LEU A 3 -0.262 -8.642 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.620 -6.285 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.062 -6.672 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.460 -6.925 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.066 -4.552 -6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.996 -5.320 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.633 -4.244 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.221 -5.311 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.748 -5.034 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.965 -6.634 -6.426 1.00 0.00 H new ATOM 56 N ASN A 4 -2.663 -8.627 -4.068 1.00 0.00 N ATOM 57 CA ASN A 4 -4.051 -8.851 -4.460 1.00 0.00 C ATOM 58 C ASN A 4 -4.942 -7.717 -3.964 1.00 0.00 C ATOM 59 O ASN A 4 -4.917 -7.367 -2.783 1.00 0.00 O ATOM 60 CB ASN A 4 -4.550 -10.187 -3.906 1.00 0.00 C ATOM 61 CG ASN A 4 -5.763 -10.706 -4.654 1.00 0.00 C ATOM 62 OD1 ASN A 4 -5.739 -10.849 -5.876 1.00 0.00 O ATOM 63 ND2 ASN A 4 -6.834 -10.986 -3.921 1.00 0.00 N ATOM 0 H ASN A 4 -2.518 -8.536 -3.062 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.097 -8.878 -5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.748 -10.923 -3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.800 -10.070 -2.851 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.681 -11.335 -4.369 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.809 -10.852 -2.910 1.00 0.00 H new ATOM 70 N ILE A 5 -5.723 -7.142 -4.872 1.00 0.00 N ATOM 71 CA ILE A 5 -6.616 -6.044 -4.524 1.00 0.00 C ATOM 72 C ILE A 5 -8.058 -6.521 -4.381 1.00 0.00 C ATOM 73 O ILE A 5 -8.546 -7.310 -5.189 1.00 0.00 O ATOM 74 CB ILE A 5 -6.569 -4.923 -5.579 1.00 0.00 C ATOM 75 CG1 ILE A 5 -5.121 -4.552 -5.901 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.338 -3.704 -5.092 1.00 0.00 C ATOM 77 CD1 ILE A 5 -4.995 -3.440 -6.920 1.00 0.00 C ATOM 0 H ILE A 5 -5.755 -7.418 -5.853 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.268 -5.654 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.041 -5.286 -6.492 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.619 -4.250 -4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.602 -5.435 -6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.295 -2.921 -5.849 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.377 -3.978 -4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.893 -3.339 -4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.941 -3.229 -7.100 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.468 -3.746 -7.853 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.485 -2.543 -6.542 1.00 0.00 H new ATOM 89 N THR A 6 -8.735 -6.025 -3.350 1.00 0.00 N ATOM 90 CA THR A 6 -10.125 -6.380 -3.094 1.00 0.00 C ATOM 91 C THR A 6 -10.823 -5.237 -2.369 1.00 0.00 C ATOM 92 O THR A 6 -10.428 -4.869 -1.265 1.00 0.00 O ATOM 93 CB THR A 6 -10.205 -7.653 -2.253 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.221 -8.588 -2.660 1.00 0.00 O ATOM 95 CG2 THR A 6 -11.552 -8.339 -2.327 1.00 0.00 C ATOM 0 H THR A 6 -8.339 -5.371 -2.674 1.00 0.00 H new ATOM 0 HA THR A 6 -10.622 -6.560 -4.047 1.00 0.00 H new ATOM 0 HB THR A 6 -10.039 -7.329 -1.226 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.288 -9.395 -2.108 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.538 -9.235 -1.707 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.326 -7.661 -1.968 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.763 -8.616 -3.360 1.00 0.00 H new ATOM 103 N GLY A 7 -11.850 -4.668 -2.990 1.00 0.00 N ATOM 104 CA GLY A 7 -12.555 -3.561 -2.370 1.00 0.00 C ATOM 105 C GLY A 7 -14.037 -3.812 -2.195 1.00 0.00 C ATOM 106 O GLY A 7 -14.704 -4.312 -3.101 1.00 0.00 O ATOM 0 H GLY A 7 -12.205 -4.950 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.111 -3.358 -1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.415 -2.666 -2.976 1.00 0.00 H new ATOM 110 N ASN A 8 -14.554 -3.445 -1.026 1.00 0.00 N ATOM 111 CA ASN A 8 -15.973 -3.609 -0.726 1.00 0.00 C ATOM 112 C ASN A 8 -16.762 -2.424 -1.267 1.00 0.00 C ATOM 113 O ASN A 8 -16.649 -1.308 -0.760 1.00 0.00 O ATOM 114 CB ASN A 8 -16.202 -3.749 0.785 1.00 0.00 C ATOM 115 CG ASN A 8 -15.276 -2.876 1.612 1.00 0.00 C ATOM 116 OD1 ASN A 8 -14.591 -2.003 1.084 1.00 0.00 O ATOM 117 ND2 ASN A 8 -15.251 -3.111 2.919 1.00 0.00 N ATOM 0 H ASN A 8 -14.010 -3.031 -0.269 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.321 -4.522 -1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.236 -3.491 1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.062 -4.791 1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.647 -2.557 3.525 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.836 -3.846 3.316 1.00 0.00 H new ATOM 124 N ASN A 9 -17.551 -2.667 -2.309 1.00 0.00 N ATOM 125 CA ASN A 9 -18.348 -1.613 -2.930 1.00 0.00 C ATOM 126 C ASN A 9 -17.445 -0.654 -3.699 1.00 0.00 C ATOM 127 O ASN A 9 -17.593 0.564 -3.613 1.00 0.00 O ATOM 128 CB ASN A 9 -19.148 -0.846 -1.873 1.00 0.00 C ATOM 129 CG ASN A 9 -20.331 -0.106 -2.469 1.00 0.00 C ATOM 130 OD1 ASN A 9 -21.396 -0.684 -2.680 1.00 0.00 O ATOM 131 ND2 ASN A 9 -20.146 1.181 -2.742 1.00 0.00 N ATOM 0 H ASN A 9 -17.656 -3.585 -2.742 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.048 -2.077 -3.625 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.503 -1.543 -1.114 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.493 -0.134 -1.371 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.905 1.731 -3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.245 1.619 -2.550 1.00 0.00 H new ATOM 138 N VAL A 10 -16.508 -1.220 -4.454 1.00 0.00 N ATOM 139 CA VAL A 10 -15.575 -0.426 -5.244 1.00 0.00 C ATOM 140 C VAL A 10 -15.115 -1.192 -6.478 1.00 0.00 C ATOM 141 O VAL A 10 -14.790 -2.377 -6.401 1.00 0.00 O ATOM 142 CB VAL A 10 -14.340 -0.021 -4.418 1.00 0.00 C ATOM 143 CG1 VAL A 10 -13.502 1.000 -5.171 1.00 0.00 C ATOM 144 CG2 VAL A 10 -14.760 0.520 -3.059 1.00 0.00 C ATOM 0 H VAL A 10 -16.375 -2.228 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.107 0.474 -5.552 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.728 -0.909 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.634 1.273 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.169 0.571 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.101 1.889 -5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.874 0.801 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.396 1.395 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.312 -0.248 -2.516 1.00 0.00 H new ATOM 154 N GLU A 11 -15.089 -0.511 -7.619 1.00 0.00 N ATOM 155 CA GLU A 11 -14.666 -1.135 -8.868 1.00 0.00 C ATOM 156 C GLU A 11 -13.170 -0.943 -9.093 1.00 0.00 C ATOM 157 O GLU A 11 -12.667 0.180 -9.068 1.00 0.00 O ATOM 158 CB GLU A 11 -15.453 -0.553 -10.045 1.00 0.00 C ATOM 159 CG GLU A 11 -15.966 -1.607 -11.013 1.00 0.00 C ATOM 160 CD GLU A 11 -17.436 -1.437 -11.337 1.00 0.00 C ATOM 161 OE1 GLU A 11 -17.770 -0.526 -12.124 1.00 0.00 O ATOM 162 OE2 GLU A 11 -18.256 -2.213 -10.803 1.00 0.00 O ATOM 0 H GLU A 11 -15.355 0.470 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 11 -14.869 -2.204 -8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.298 0.017 -9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.817 0.147 -10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.387 -1.560 -11.935 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.804 -2.597 -10.585 1.00 0.00 H new ATOM 169 N ILE A 12 -12.461 -2.047 -9.312 1.00 0.00 N ATOM 170 CA ILE A 12 -11.023 -2.000 -9.541 1.00 0.00 C ATOM 171 C ILE A 12 -10.711 -1.590 -10.979 1.00 0.00 C ATOM 172 O ILE A 12 -10.747 -2.416 -11.891 1.00 0.00 O ATOM 173 CB ILE A 12 -10.361 -3.362 -9.248 1.00 0.00 C ATOM 174 CG1 ILE A 12 -10.705 -3.828 -7.831 1.00 0.00 C ATOM 175 CG2 ILE A 12 -8.852 -3.275 -9.434 1.00 0.00 C ATOM 176 CD1 ILE A 12 -10.080 -2.976 -6.746 1.00 0.00 C ATOM 0 H ILE A 12 -12.861 -2.985 -9.335 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.616 -1.255 -8.857 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.749 -4.095 -9.955 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.788 -3.822 -7.708 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.376 -4.860 -7.706 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.403 -4.245 -9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.628 -2.987 -10.461 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.444 -2.530 -8.751 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.366 -3.364 -5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.995 -3.002 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.429 -1.948 -6.845 1.00 0.00 H new ATOM 188 N THR A 13 -10.406 -0.312 -11.170 1.00 0.00 N ATOM 189 CA THR A 13 -10.086 0.206 -12.494 1.00 0.00 C ATOM 190 C THR A 13 -8.583 0.413 -12.647 1.00 0.00 C ATOM 191 O THR A 13 -7.873 0.604 -11.661 1.00 0.00 O ATOM 192 CB THR A 13 -10.821 1.525 -12.741 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.598 2.429 -11.673 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.317 1.358 -12.896 1.00 0.00 C ATOM 0 H THR A 13 -10.374 0.384 -10.425 1.00 0.00 H new ATOM 0 HA THR A 13 -10.412 -0.527 -13.232 1.00 0.00 H new ATOM 0 HB THR A 13 -10.417 1.910 -13.677 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.074 3.267 -11.849 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.776 2.332 -13.068 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.524 0.704 -13.743 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.730 0.918 -11.988 1.00 0.00 H new ATOM 202 N GLU A 14 -8.106 0.353 -13.892 1.00 0.00 N ATOM 203 CA GLU A 14 -6.683 0.516 -14.200 1.00 0.00 C ATOM 204 C GLU A 14 -5.992 1.487 -13.245 1.00 0.00 C ATOM 205 O GLU A 14 -4.982 1.147 -12.629 1.00 0.00 O ATOM 206 CB GLU A 14 -6.511 1.000 -15.640 1.00 0.00 C ATOM 207 CG GLU A 14 -7.440 2.143 -16.014 1.00 0.00 C ATOM 208 CD GLU A 14 -7.622 2.282 -17.512 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.490 1.583 -18.074 1.00 0.00 O ATOM 210 OE2 GLU A 14 -6.895 3.092 -18.125 1.00 0.00 O ATOM 0 H GLU A 14 -8.691 0.191 -14.711 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.212 -0.459 -14.077 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.479 1.319 -15.786 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.685 0.165 -16.318 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.412 1.983 -15.547 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.043 3.075 -15.612 1.00 0.00 H new ATOM 217 N ALA A 15 -6.535 2.694 -13.122 1.00 0.00 N ATOM 218 CA ALA A 15 -5.958 3.701 -12.238 1.00 0.00 C ATOM 219 C ALA A 15 -5.942 3.218 -10.791 1.00 0.00 C ATOM 220 O ALA A 15 -4.922 3.314 -10.106 1.00 0.00 O ATOM 221 CB ALA A 15 -6.729 5.007 -12.352 1.00 0.00 C ATOM 0 H ALA A 15 -7.371 2.998 -13.621 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.927 3.872 -12.547 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.288 5.749 -11.687 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.684 5.368 -13.380 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.769 4.841 -12.071 1.00 0.00 H new ATOM 227 N LEU A 16 -7.076 2.699 -10.332 1.00 0.00 N ATOM 228 CA LEU A 16 -7.194 2.201 -8.966 1.00 0.00 C ATOM 229 C LEU A 16 -6.148 1.123 -8.688 1.00 0.00 C ATOM 230 O LEU A 16 -5.367 1.229 -7.742 1.00 0.00 O ATOM 231 CB LEU A 16 -8.599 1.644 -8.724 1.00 0.00 C ATOM 232 CG LEU A 16 -9.230 2.037 -7.388 1.00 0.00 C ATOM 233 CD1 LEU A 16 -8.313 1.665 -6.234 1.00 0.00 C ATOM 234 CD2 LEU A 16 -9.540 3.526 -7.364 1.00 0.00 C ATOM 0 H LEU A 16 -7.928 2.612 -10.887 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.020 3.033 -8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.251 1.982 -9.530 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.557 0.556 -8.783 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.165 1.488 -7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.779 1.953 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.139 0.589 -6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.362 2.187 -6.342 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.989 3.789 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.618 4.092 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.235 3.766 -8.168 1.00 0.00 H new ATOM 246 N ARG A 17 -6.141 0.089 -9.521 1.00 0.00 N ATOM 247 CA ARG A 17 -5.192 -1.006 -9.366 1.00 0.00 C ATOM 248 C ARG A 17 -3.758 -0.499 -9.501 1.00 0.00 C ATOM 249 O ARG A 17 -2.876 -0.896 -8.742 1.00 0.00 O ATOM 250 CB ARG A 17 -5.462 -2.103 -10.401 1.00 0.00 C ATOM 251 CG ARG A 17 -5.284 -1.646 -11.841 1.00 0.00 C ATOM 252 CD ARG A 17 -5.414 -2.807 -12.814 1.00 0.00 C ATOM 253 NE ARG A 17 -6.626 -2.710 -13.624 1.00 0.00 N ATOM 254 CZ ARG A 17 -6.868 -3.472 -14.689 1.00 0.00 C ATOM 255 NH1 ARG A 17 -5.986 -4.385 -15.076 1.00 0.00 N ATOM 256 NH2 ARG A 17 -7.996 -3.320 -15.368 1.00 0.00 N ATOM 0 H ARG A 17 -6.780 -0.014 -10.309 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.320 -1.427 -8.369 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.793 -2.942 -10.211 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.480 -2.471 -10.270 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.029 -0.886 -12.078 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.306 -1.180 -11.958 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.542 -2.831 -13.468 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.423 -3.745 -12.259 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.327 -2.019 -13.358 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.116 -4.506 -14.557 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.178 -4.965 -15.893 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.677 -2.620 -15.075 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.183 -3.903 -16.184 1.00 0.00 H new ATOM 270 N GLU A 18 -3.536 0.377 -10.476 1.00 0.00 N ATOM 271 CA GLU A 18 -2.212 0.938 -10.714 1.00 0.00 C ATOM 272 C GLU A 18 -1.726 1.733 -9.506 1.00 0.00 C ATOM 273 O GLU A 18 -0.647 1.471 -8.974 1.00 0.00 O ATOM 274 CB GLU A 18 -2.230 1.834 -11.953 1.00 0.00 C ATOM 275 CG GLU A 18 -1.996 1.081 -13.252 1.00 0.00 C ATOM 276 CD GLU A 18 -0.527 0.829 -13.523 1.00 0.00 C ATOM 277 OE1 GLU A 18 0.058 -0.050 -12.858 1.00 0.00 O ATOM 278 OE2 GLU A 18 0.040 1.512 -14.404 1.00 0.00 O ATOM 0 H GLU A 18 -4.257 0.714 -11.114 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.522 0.110 -10.880 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.191 2.345 -12.007 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.465 2.603 -11.846 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.524 0.128 -13.215 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.422 1.649 -14.079 1.00 0.00 H new ATOM 285 N PHE A 19 -2.523 2.711 -9.083 1.00 0.00 N ATOM 286 CA PHE A 19 -2.171 3.556 -7.943 1.00 0.00 C ATOM 287 C PHE A 19 -1.654 2.733 -6.764 1.00 0.00 C ATOM 288 O PHE A 19 -0.570 2.993 -6.245 1.00 0.00 O ATOM 289 CB PHE A 19 -3.385 4.380 -7.506 1.00 0.00 C ATOM 290 CG PHE A 19 -3.052 5.462 -6.517 1.00 0.00 C ATOM 291 CD1 PHE A 19 -2.234 6.520 -6.879 1.00 0.00 C ATOM 292 CD2 PHE A 19 -3.559 5.420 -5.230 1.00 0.00 C ATOM 293 CE1 PHE A 19 -1.928 7.517 -5.972 1.00 0.00 C ATOM 294 CE2 PHE A 19 -3.255 6.414 -4.317 1.00 0.00 C ATOM 295 CZ PHE A 19 -2.438 7.463 -4.690 1.00 0.00 C ATOM 0 H PHE A 19 -3.419 2.939 -9.513 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.370 4.222 -8.263 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.843 4.832 -8.386 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.127 3.713 -7.067 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.831 6.566 -7.880 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.199 4.602 -4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.290 8.338 -6.266 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.656 6.370 -3.315 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.198 8.240 -3.980 1.00 0.00 H new ATOM 305 N VAL A 20 -2.437 1.744 -6.345 1.00 0.00 N ATOM 306 CA VAL A 20 -2.051 0.891 -5.224 1.00 0.00 C ATOM 307 C VAL A 20 -0.762 0.135 -5.523 1.00 0.00 C ATOM 308 O VAL A 20 0.192 0.185 -4.747 1.00 0.00 O ATOM 309 CB VAL A 20 -3.158 -0.123 -4.875 1.00 0.00 C ATOM 310 CG1 VAL A 20 -2.857 -0.805 -3.550 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.520 0.560 -4.837 1.00 0.00 C ATOM 0 H VAL A 20 -3.339 1.513 -6.762 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.893 1.551 -4.371 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.184 -0.886 -5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.649 -1.518 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.905 -1.331 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.801 -0.056 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.288 -0.173 -4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.512 1.346 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.736 0.996 -5.813 1.00 0.00 H new ATOM 321 N THR A 21 -0.736 -0.564 -6.653 1.00 0.00 N ATOM 322 CA THR A 21 0.439 -1.331 -7.052 1.00 0.00 C ATOM 323 C THR A 21 1.653 -0.422 -7.209 1.00 0.00 C ATOM 324 O THR A 21 2.788 -0.841 -6.979 1.00 0.00 O ATOM 325 CB THR A 21 0.168 -2.072 -8.363 1.00 0.00 C ATOM 326 OG1 THR A 21 -1.002 -2.863 -8.259 1.00 0.00 O ATOM 327 CG2 THR A 21 1.304 -2.984 -8.779 1.00 0.00 C ATOM 0 H THR A 21 -1.515 -0.615 -7.309 1.00 0.00 H new ATOM 0 HA THR A 21 0.652 -2.059 -6.269 1.00 0.00 H new ATOM 0 HB THR A 21 0.052 -1.294 -9.117 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.790 -2.304 -8.423 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.049 -3.479 -9.716 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.212 -2.396 -8.915 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.470 -3.734 -8.006 1.00 0.00 H new ATOM 335 N ALA A 22 1.409 0.824 -7.603 1.00 0.00 N ATOM 336 CA ALA A 22 2.481 1.791 -7.790 1.00 0.00 C ATOM 337 C ALA A 22 3.265 2.000 -6.500 1.00 0.00 C ATOM 338 O ALA A 22 4.495 2.002 -6.503 1.00 0.00 O ATOM 339 CB ALA A 22 1.918 3.114 -8.288 1.00 0.00 C ATOM 0 H ALA A 22 0.476 1.187 -7.799 1.00 0.00 H new ATOM 0 HA ALA A 22 3.166 1.395 -8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.731 3.827 -8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.410 2.958 -9.240 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.209 3.506 -7.558 1.00 0.00 H new ATOM 345 N LYS A 23 2.543 2.172 -5.398 1.00 0.00 N ATOM 346 CA LYS A 23 3.172 2.378 -4.099 1.00 0.00 C ATOM 347 C LYS A 23 3.906 1.119 -3.647 1.00 0.00 C ATOM 348 O LYS A 23 5.101 1.156 -3.353 1.00 0.00 O ATOM 349 CB LYS A 23 2.124 2.774 -3.057 1.00 0.00 C ATOM 350 CG LYS A 23 1.157 3.845 -3.538 1.00 0.00 C ATOM 351 CD LYS A 23 1.894 5.083 -4.027 1.00 0.00 C ATOM 352 CE LYS A 23 0.980 5.997 -4.827 1.00 0.00 C ATOM 353 NZ LYS A 23 1.142 7.425 -4.437 1.00 0.00 N ATOM 0 H LYS A 23 1.523 2.173 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 23 3.897 3.186 -4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.557 1.888 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.632 3.132 -2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.541 3.445 -4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.483 4.119 -2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.298 5.628 -3.174 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.741 4.783 -4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.194 5.885 -5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.057 5.695 -4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.311 7.966 -4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.233 7.494 -3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.996 7.813 -4.886 1.00 0.00 H new ATOM 367 N PHE A 24 3.182 0.003 -3.601 1.00 0.00 N ATOM 368 CA PHE A 24 3.766 -1.270 -3.189 1.00 0.00 C ATOM 369 C PHE A 24 5.047 -1.556 -3.967 1.00 0.00 C ATOM 370 O PHE A 24 6.072 -1.911 -3.386 1.00 0.00 O ATOM 371 CB PHE A 24 2.761 -2.406 -3.394 1.00 0.00 C ATOM 372 CG PHE A 24 2.011 -2.775 -2.147 1.00 0.00 C ATOM 373 CD1 PHE A 24 2.553 -3.667 -1.234 1.00 0.00 C ATOM 374 CD2 PHE A 24 0.764 -2.230 -1.885 1.00 0.00 C ATOM 375 CE1 PHE A 24 1.865 -4.009 -0.086 1.00 0.00 C ATOM 376 CE2 PHE A 24 0.070 -2.570 -0.738 1.00 0.00 C ATOM 377 CZ PHE A 24 0.623 -3.460 0.162 1.00 0.00 C ATOM 0 H PHE A 24 2.192 -0.045 -3.843 1.00 0.00 H new ATOM 0 HA PHE A 24 4.014 -1.204 -2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.047 -2.114 -4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.289 -3.285 -3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.524 -4.099 -1.423 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.329 -1.532 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.298 -4.705 0.617 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.902 -2.141 -0.546 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.084 -3.726 1.059 1.00 0.00 H new ATOM 387 N ALA A 25 4.981 -1.395 -5.287 1.00 0.00 N ATOM 388 CA ALA A 25 6.138 -1.630 -6.143 1.00 0.00 C ATOM 389 C ALA A 25 7.353 -0.854 -5.645 1.00 0.00 C ATOM 390 O ALA A 25 8.422 -1.423 -5.432 1.00 0.00 O ATOM 391 CB ALA A 25 5.818 -1.246 -7.580 1.00 0.00 C ATOM 0 H ALA A 25 4.140 -1.103 -5.785 1.00 0.00 H new ATOM 0 HA ALA A 25 6.377 -2.693 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.691 -1.427 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.982 -1.846 -7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.552 -0.190 -7.624 1.00 0.00 H new ATOM 397 N LYS A 26 7.177 0.452 -5.456 1.00 0.00 N ATOM 398 CA LYS A 26 8.257 1.307 -4.975 1.00 0.00 C ATOM 399 C LYS A 26 8.842 0.765 -3.675 1.00 0.00 C ATOM 400 O LYS A 26 10.020 0.972 -3.378 1.00 0.00 O ATOM 401 CB LYS A 26 7.749 2.736 -4.768 1.00 0.00 C ATOM 402 CG LYS A 26 8.699 3.802 -5.291 1.00 0.00 C ATOM 403 CD LYS A 26 9.341 4.587 -4.159 1.00 0.00 C ATOM 404 CE LYS A 26 10.756 4.104 -3.875 1.00 0.00 C ATOM 405 NZ LYS A 26 11.761 5.186 -4.070 1.00 0.00 N ATOM 0 H LYS A 26 6.298 0.940 -5.629 1.00 0.00 H new ATOM 0 HA LYS A 26 9.045 1.316 -5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.785 2.845 -5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.580 2.902 -3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.476 3.333 -5.895 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.156 4.484 -5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.362 5.646 -4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.735 4.490 -3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.815 3.734 -2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.992 3.266 -4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.712 4.817 -3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.723 5.522 -5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.551 5.975 -3.426 1.00 0.00 H new ATOM 419 N LEU A 27 8.014 0.063 -2.906 1.00 0.00 N ATOM 420 CA LEU A 27 8.453 -0.517 -1.642 1.00 0.00 C ATOM 421 C LEU A 27 9.189 -1.832 -1.881 1.00 0.00 C ATOM 422 O LEU A 27 10.078 -2.208 -1.116 1.00 0.00 O ATOM 423 CB LEU A 27 7.257 -0.751 -0.718 1.00 0.00 C ATOM 424 CG LEU A 27 6.806 0.471 0.085 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.048 1.443 -0.804 1.00 0.00 C ATOM 426 CD2 LEU A 27 5.945 0.042 1.263 1.00 0.00 C ATOM 0 H LEU A 27 7.037 -0.117 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 27 9.137 0.185 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.417 -1.102 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.507 -1.551 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 27 7.691 0.978 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.735 2.306 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.695 1.773 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.169 0.948 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.632 0.922 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.065 -0.487 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.520 -0.617 1.913 1.00 0.00 H new ATOM 438 N GLU A 28 8.810 -2.522 -2.952 1.00 0.00 N ATOM 439 CA GLU A 28 9.424 -3.798 -3.308 1.00 0.00 C ATOM 440 C GLU A 28 10.914 -3.641 -3.613 1.00 0.00 C ATOM 441 O GLU A 28 11.648 -4.628 -3.668 1.00 0.00 O ATOM 442 CB GLU A 28 8.708 -4.406 -4.517 1.00 0.00 C ATOM 443 CG GLU A 28 8.525 -5.911 -4.422 1.00 0.00 C ATOM 444 CD GLU A 28 7.774 -6.483 -5.610 1.00 0.00 C ATOM 445 OE1 GLU A 28 8.255 -6.319 -6.751 1.00 0.00 O ATOM 446 OE2 GLU A 28 6.705 -7.093 -5.398 1.00 0.00 O ATOM 0 H GLU A 28 8.077 -2.217 -3.592 1.00 0.00 H new ATOM 0 HA GLU A 28 9.325 -4.464 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.731 -3.936 -4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.274 -4.173 -5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.502 -6.388 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.985 -6.151 -3.506 1.00 0.00 H new ATOM 453 N GLN A 29 11.358 -2.403 -3.811 1.00 0.00 N ATOM 454 CA GLN A 29 12.760 -2.136 -4.109 1.00 0.00 C ATOM 455 C GLN A 29 13.640 -2.391 -2.889 1.00 0.00 C ATOM 456 O GLN A 29 14.550 -3.218 -2.930 1.00 0.00 O ATOM 457 CB GLN A 29 12.935 -0.692 -4.585 1.00 0.00 C ATOM 458 CG GLN A 29 14.319 -0.399 -5.143 1.00 0.00 C ATOM 459 CD GLN A 29 15.195 0.355 -4.162 1.00 0.00 C ATOM 460 OE1 GLN A 29 15.444 -0.108 -3.048 1.00 0.00 O ATOM 461 NE2 GLN A 29 15.670 1.527 -4.571 1.00 0.00 N ATOM 0 H GLN A 29 10.768 -1.572 -3.770 1.00 0.00 H new ATOM 0 HA GLN A 29 13.070 -2.816 -4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.190 -0.478 -5.352 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.738 -0.017 -3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.805 -1.337 -5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.222 0.183 -6.059 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.439 1.874 -5.502 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.265 2.079 -3.954 1.00 0.00 H new ATOM 470 N TYR A 30 13.367 -1.671 -1.805 1.00 0.00 N ATOM 471 CA TYR A 30 14.142 -1.821 -0.577 1.00 0.00 C ATOM 472 C TYR A 30 13.583 -2.926 0.320 1.00 0.00 C ATOM 473 O TYR A 30 14.097 -3.163 1.413 1.00 0.00 O ATOM 474 CB TYR A 30 14.202 -0.497 0.194 1.00 0.00 C ATOM 475 CG TYR A 30 12.905 0.281 0.197 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.759 -0.239 0.786 1.00 0.00 C ATOM 477 CD2 TYR A 30 12.828 1.540 -0.387 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.575 0.472 0.792 1.00 0.00 C ATOM 479 CE2 TYR A 30 11.647 2.256 -0.384 1.00 0.00 C ATOM 480 CZ TYR A 30 10.524 1.720 0.207 1.00 0.00 C ATOM 481 OH TYR A 30 9.347 2.431 0.213 1.00 0.00 O ATOM 0 H TYR A 30 12.618 -0.980 -1.751 1.00 0.00 H new ATOM 0 HA TYR A 30 15.152 -2.108 -0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.491 -0.703 1.225 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.985 0.126 -0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.795 -1.215 1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.706 1.965 -0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.693 0.053 1.253 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.604 3.233 -0.843 1.00 0.00 H new ATOM 0 HH TYR A 30 9.482 3.290 -0.239 1.00 0.00 H new ATOM 491 N PHE A 31 12.537 -3.610 -0.144 1.00 0.00 N ATOM 492 CA PHE A 31 11.935 -4.694 0.628 1.00 0.00 C ATOM 493 C PHE A 31 12.088 -6.025 -0.103 1.00 0.00 C ATOM 494 O PHE A 31 11.580 -6.198 -1.210 1.00 0.00 O ATOM 495 CB PHE A 31 10.450 -4.415 0.890 1.00 0.00 C ATOM 496 CG PHE A 31 10.187 -3.317 1.887 1.00 0.00 C ATOM 497 CD1 PHE A 31 11.141 -2.957 2.829 1.00 0.00 C ATOM 498 CD2 PHE A 31 8.974 -2.647 1.885 1.00 0.00 C ATOM 499 CE1 PHE A 31 10.889 -1.951 3.743 1.00 0.00 C ATOM 500 CE2 PHE A 31 8.718 -1.640 2.796 1.00 0.00 C ATOM 501 CZ PHE A 31 9.677 -1.293 3.726 1.00 0.00 C ATOM 0 H PHE A 31 12.092 -3.433 -1.045 1.00 0.00 H new ATOM 0 HA PHE A 31 12.456 -4.753 1.584 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.970 -4.154 -0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.978 -5.331 1.245 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.092 -3.469 2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.218 -2.916 1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.641 -1.681 4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.769 -1.125 2.780 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.479 -0.507 4.440 1.00 0.00 H new ATOM 511 N ASP A 32 12.793 -6.961 0.525 1.00 0.00 N ATOM 512 CA ASP A 32 13.011 -8.278 -0.066 1.00 0.00 C ATOM 513 C ASP A 32 12.215 -9.360 0.664 1.00 0.00 C ATOM 514 O ASP A 32 12.338 -10.544 0.353 1.00 0.00 O ATOM 515 CB ASP A 32 14.500 -8.625 -0.043 1.00 0.00 C ATOM 516 CG ASP A 32 15.219 -8.174 -1.300 1.00 0.00 C ATOM 517 OD1 ASP A 32 14.982 -7.029 -1.740 1.00 0.00 O ATOM 518 OD2 ASP A 32 16.018 -8.965 -1.843 1.00 0.00 O ATOM 0 H ASP A 32 13.223 -6.833 1.441 1.00 0.00 H new ATOM 0 HA ASP A 32 12.662 -8.241 -1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.965 -8.159 0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.617 -9.702 0.072 1.00 0.00 H new ATOM 523 N ARG A 33 11.403 -8.953 1.637 1.00 0.00 N ATOM 524 CA ARG A 33 10.598 -9.901 2.402 1.00 0.00 C ATOM 525 C ARG A 33 9.112 -9.721 2.109 1.00 0.00 C ATOM 526 O ARG A 33 8.326 -9.398 3.001 1.00 0.00 O ATOM 527 CB ARG A 33 10.861 -9.728 3.900 1.00 0.00 C ATOM 528 CG ARG A 33 12.338 -9.676 4.257 1.00 0.00 C ATOM 529 CD ARG A 33 12.913 -8.285 4.051 1.00 0.00 C ATOM 530 NE ARG A 33 14.031 -8.016 4.952 1.00 0.00 N ATOM 531 CZ ARG A 33 13.913 -7.936 6.277 1.00 0.00 C ATOM 532 NH1 ARG A 33 12.731 -8.100 6.855 1.00 0.00 N ATOM 533 NH2 ARG A 33 14.981 -7.689 7.023 1.00 0.00 N ATOM 0 H ARG A 33 11.286 -7.978 1.913 1.00 0.00 H new ATOM 0 HA ARG A 33 10.885 -10.909 2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.381 -8.811 4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.394 -10.552 4.440 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.473 -9.976 5.296 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.887 -10.392 3.645 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.246 -8.180 3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.131 -7.542 4.211 1.00 0.00 H new ATOM 0 HE ARG A 33 14.956 -7.882 4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.906 -8.288 6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.646 -8.038 7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.892 -7.560 6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.892 -7.628 8.037 1.00 0.00 H new ATOM 547 N ILE A 34 8.732 -9.936 0.854 1.00 0.00 N ATOM 548 CA ILE A 34 7.339 -9.801 0.444 1.00 0.00 C ATOM 549 C ILE A 34 6.872 -11.040 -0.312 1.00 0.00 C ATOM 550 O ILE A 34 7.470 -11.426 -1.316 1.00 0.00 O ATOM 551 CB ILE A 34 7.129 -8.559 -0.445 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.716 -7.316 0.227 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.650 -8.360 -0.740 1.00 0.00 C ATOM 554 CD1 ILE A 34 8.467 -6.412 -0.727 1.00 0.00 C ATOM 0 H ILE A 34 9.369 -10.204 0.104 1.00 0.00 H new ATOM 0 HA ILE A 34 6.750 -9.686 1.354 1.00 0.00 H new ATOM 0 HB ILE A 34 7.649 -8.717 -1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.910 -6.750 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.389 -7.628 1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.520 -7.479 -1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.261 -9.236 -1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.108 -8.222 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.856 -5.551 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.295 -6.962 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.792 -6.070 -1.512 1.00 0.00 H new ATOM 566 N ASN A 35 5.802 -11.661 0.176 1.00 0.00 N ATOM 567 CA ASN A 35 5.261 -12.858 -0.456 1.00 0.00 C ATOM 568 C ASN A 35 3.801 -12.655 -0.860 1.00 0.00 C ATOM 569 O ASN A 35 3.464 -12.706 -2.042 1.00 0.00 O ATOM 570 CB ASN A 35 5.383 -14.066 0.479 1.00 0.00 C ATOM 571 CG ASN A 35 5.118 -13.714 1.930 1.00 0.00 C ATOM 572 OD1 ASN A 35 5.835 -12.911 2.527 1.00 0.00 O ATOM 573 ND2 ASN A 35 4.083 -14.315 2.507 1.00 0.00 N ATOM 0 H ASN A 35 5.294 -11.355 1.006 1.00 0.00 H new ATOM 0 HA ASN A 35 5.844 -13.049 -1.357 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.681 -14.837 0.163 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.383 -14.490 0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.857 -14.117 3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.515 -14.974 1.975 1.00 0.00 H new ATOM 580 N GLN A 36 2.942 -12.427 0.129 1.00 0.00 N ATOM 581 CA GLN A 36 1.522 -12.219 -0.130 1.00 0.00 C ATOM 582 C GLN A 36 1.020 -10.951 0.550 1.00 0.00 C ATOM 583 O GLN A 36 1.056 -10.835 1.776 1.00 0.00 O ATOM 584 CB GLN A 36 0.711 -13.422 0.354 1.00 0.00 C ATOM 585 CG GLN A 36 -0.744 -13.391 -0.085 1.00 0.00 C ATOM 586 CD GLN A 36 -1.082 -14.492 -1.071 1.00 0.00 C ATOM 587 OE1 GLN A 36 -1.072 -15.674 -0.728 1.00 0.00 O ATOM 588 NE2 GLN A 36 -1.385 -14.108 -2.307 1.00 0.00 N ATOM 0 H GLN A 36 3.204 -12.382 1.114 1.00 0.00 H new ATOM 0 HA GLN A 36 1.391 -12.108 -1.206 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.175 -14.336 -0.018 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.753 -13.464 1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.386 -13.484 0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.962 -12.424 -0.538 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.381 -13.117 -2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.621 -14.804 -3.014 1.00 0.00 H new ATOM 597 N VAL A 37 0.548 -10.004 -0.254 1.00 0.00 N ATOM 598 CA VAL A 37 0.031 -8.744 0.267 1.00 0.00 C ATOM 599 C VAL A 37 -1.362 -8.462 -0.282 1.00 0.00 C ATOM 600 O VAL A 37 -1.619 -8.643 -1.472 1.00 0.00 O ATOM 601 CB VAL A 37 0.957 -7.555 -0.072 1.00 0.00 C ATOM 602 CG1 VAL A 37 1.962 -7.326 1.043 1.00 0.00 C ATOM 603 CG2 VAL A 37 1.668 -7.778 -1.400 1.00 0.00 C ATOM 0 H VAL A 37 0.513 -10.086 -1.270 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.015 -8.849 1.351 1.00 0.00 H new ATOM 0 HB VAL A 37 0.339 -6.662 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.605 -6.485 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.433 -7.108 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.570 -8.221 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.313 -6.926 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.271 -8.684 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.930 -7.883 -2.195 1.00 0.00 H new ATOM 613 N TYR A 38 -2.261 -8.018 0.591 1.00 0.00 N ATOM 614 CA TYR A 38 -3.629 -7.714 0.188 1.00 0.00 C ATOM 615 C TYR A 38 -4.086 -6.377 0.763 1.00 0.00 C ATOM 616 O TYR A 38 -3.656 -5.971 1.843 1.00 0.00 O ATOM 617 CB TYR A 38 -4.583 -8.829 0.625 1.00 0.00 C ATOM 618 CG TYR A 38 -4.221 -9.478 1.943 1.00 0.00 C ATOM 619 CD1 TYR A 38 -3.100 -10.292 2.054 1.00 0.00 C ATOM 620 CD2 TYR A 38 -5.002 -9.282 3.074 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.768 -10.891 3.255 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.677 -9.877 4.279 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.559 -10.680 4.363 1.00 0.00 C ATOM 624 OH TYR A 38 -3.234 -11.275 5.560 1.00 0.00 O ATOM 0 H TYR A 38 -2.067 -7.861 1.580 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.647 -7.644 -0.900 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.591 -8.420 0.699 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.606 -9.595 -0.150 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.478 -10.459 1.187 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.878 -8.654 3.011 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.893 -11.521 3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.295 -9.714 5.149 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.398 -11.777 5.460 1.00 0.00 H new ATOM 634 N VAL A 39 -4.959 -5.696 0.027 1.00 0.00 N ATOM 635 CA VAL A 39 -5.478 -4.402 0.452 1.00 0.00 C ATOM 636 C VAL A 39 -6.983 -4.309 0.219 1.00 0.00 C ATOM 637 O VAL A 39 -7.505 -4.859 -0.752 1.00 0.00 O ATOM 638 CB VAL A 39 -4.781 -3.248 -0.294 1.00 0.00 C ATOM 639 CG1 VAL A 39 -5.242 -1.902 0.244 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.270 -3.385 -0.189 1.00 0.00 C ATOM 0 H VAL A 39 -5.322 -6.021 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.274 -4.313 1.519 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.057 -3.301 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.737 -1.102 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.320 -1.807 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.000 -1.832 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.792 -2.562 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.974 -3.359 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.959 -4.332 -0.630 1.00 0.00 H new ATOM 650 N VAL A 40 -7.674 -3.605 1.109 1.00 0.00 N ATOM 651 CA VAL A 40 -9.118 -3.437 0.994 1.00 0.00 C ATOM 652 C VAL A 40 -9.543 -2.044 1.422 1.00 0.00 C ATOM 653 O VAL A 40 -9.130 -1.545 2.468 1.00 0.00 O ATOM 654 CB VAL A 40 -9.882 -4.479 1.832 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.371 -4.420 1.531 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.334 -5.876 1.578 1.00 0.00 C ATOM 0 H VAL A 40 -7.258 -3.142 1.917 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.367 -3.583 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.739 -4.244 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.894 -5.164 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.752 -3.427 1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.537 -4.627 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.886 -6.598 2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.443 -6.123 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.279 -5.908 1.851 1.00 0.00 H new ATOM 666 N LEU A 41 -10.355 -1.414 0.586 1.00 0.00 N ATOM 667 CA LEU A 41 -10.828 -0.064 0.847 1.00 0.00 C ATOM 668 C LEU A 41 -12.339 0.058 0.662 1.00 0.00 C ATOM 669 O LEU A 41 -12.886 -0.336 -0.368 1.00 0.00 O ATOM 670 CB LEU A 41 -10.093 0.926 -0.063 1.00 0.00 C ATOM 671 CG LEU A 41 -9.710 0.392 -1.451 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.679 -0.721 -1.340 1.00 0.00 C ATOM 673 CD2 LEU A 41 -10.940 -0.083 -2.210 1.00 0.00 C ATOM 0 H LEU A 41 -10.701 -1.820 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.613 0.172 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.721 1.808 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.185 1.253 0.444 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.263 1.211 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.425 -1.082 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.782 -0.339 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.091 -1.541 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.641 -0.456 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.427 -0.882 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.634 0.748 -2.335 1.00 0.00 H new ATOM 685 N LYS A 42 -13.004 0.619 1.667 1.00 0.00 N ATOM 686 CA LYS A 42 -14.448 0.813 1.620 1.00 0.00 C ATOM 687 C LYS A 42 -14.771 2.261 1.266 1.00 0.00 C ATOM 688 O LYS A 42 -14.131 3.190 1.765 1.00 0.00 O ATOM 689 CB LYS A 42 -15.081 0.434 2.963 1.00 0.00 C ATOM 690 CG LYS A 42 -16.542 0.839 3.092 1.00 0.00 C ATOM 691 CD LYS A 42 -17.085 0.537 4.478 1.00 0.00 C ATOM 692 CE LYS A 42 -16.503 1.475 5.522 1.00 0.00 C ATOM 693 NZ LYS A 42 -16.248 0.780 6.814 1.00 0.00 N ATOM 0 H LYS A 42 -12.564 0.948 2.526 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.865 0.165 0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -15.000 -0.644 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.512 0.902 3.767 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.645 1.904 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.134 0.310 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.171 0.627 4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.852 -0.494 4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.571 1.900 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.189 2.306 5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.851 1.455 7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.141 0.396 7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.573 0.003 6.663 1.00 0.00 H new ATOM 707 N VAL A 43 -15.761 2.446 0.399 1.00 0.00 N ATOM 708 CA VAL A 43 -16.162 3.779 -0.031 1.00 0.00 C ATOM 709 C VAL A 43 -17.601 4.087 0.373 1.00 0.00 C ATOM 710 O VAL A 43 -18.546 3.517 -0.171 1.00 0.00 O ATOM 711 CB VAL A 43 -16.022 3.940 -1.557 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.328 5.371 -1.977 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.629 3.531 -2.010 1.00 0.00 C ATOM 0 H VAL A 43 -16.300 1.688 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.495 4.483 0.467 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.746 3.283 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.223 5.463 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.348 5.625 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.632 6.051 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.548 3.651 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.887 4.160 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.452 2.488 -1.747 1.00 0.00 H new ATOM 723 N GLU A 44 -17.754 5.002 1.324 1.00 0.00 N ATOM 724 CA GLU A 44 -19.072 5.400 1.798 1.00 0.00 C ATOM 725 C GLU A 44 -19.199 6.921 1.804 1.00 0.00 C ATOM 726 O GLU A 44 -18.206 7.636 1.936 1.00 0.00 O ATOM 727 CB GLU A 44 -19.333 4.842 3.198 1.00 0.00 C ATOM 728 CG GLU A 44 -18.156 5.000 4.146 1.00 0.00 C ATOM 729 CD GLU A 44 -18.467 4.516 5.550 1.00 0.00 C ATOM 730 OE1 GLU A 44 -19.653 4.254 5.841 1.00 0.00 O ATOM 731 OE2 GLU A 44 -17.523 4.401 6.360 1.00 0.00 O ATOM 0 H GLU A 44 -16.979 5.482 1.782 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.818 4.989 1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.202 5.344 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.584 3.784 3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.303 4.445 3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.864 6.049 4.184 1.00 0.00 H new ATOM 738 N LYS A 45 -20.426 7.407 1.652 1.00 0.00 N ATOM 739 CA LYS A 45 -20.687 8.843 1.629 1.00 0.00 C ATOM 740 C LYS A 45 -20.114 9.545 2.862 1.00 0.00 C ATOM 741 O LYS A 45 -19.905 10.757 2.848 1.00 0.00 O ATOM 742 CB LYS A 45 -22.191 9.104 1.537 1.00 0.00 C ATOM 743 CG LYS A 45 -22.539 10.544 1.195 1.00 0.00 C ATOM 744 CD LYS A 45 -22.879 11.347 2.441 1.00 0.00 C ATOM 745 CE LYS A 45 -22.152 12.683 2.461 1.00 0.00 C ATOM 746 NZ LYS A 45 -23.036 13.805 2.043 1.00 0.00 N ATOM 0 H LYS A 45 -21.258 6.827 1.543 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.190 9.252 0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.620 8.446 0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.655 8.843 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.699 11.009 0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.385 10.561 0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.955 11.517 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.612 10.773 3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.773 12.875 3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.288 12.636 1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.502 14.697 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.378 13.636 1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.847 13.867 2.691 1.00 0.00 H new ATOM 760 N VAL A 46 -19.871 8.786 3.926 1.00 0.00 N ATOM 761 CA VAL A 46 -19.334 9.357 5.157 1.00 0.00 C ATOM 762 C VAL A 46 -17.807 9.470 5.111 1.00 0.00 C ATOM 763 O VAL A 46 -17.269 10.527 4.778 1.00 0.00 O ATOM 764 CB VAL A 46 -19.756 8.530 6.388 1.00 0.00 C ATOM 765 CG1 VAL A 46 -19.214 9.150 7.668 1.00 0.00 C ATOM 766 CG2 VAL A 46 -21.271 8.406 6.450 1.00 0.00 C ATOM 0 H VAL A 46 -20.036 7.780 3.961 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.751 10.360 5.245 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.332 7.531 6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.524 8.549 8.523 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.125 9.183 7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.603 10.162 7.775 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.553 7.819 7.325 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.715 9.399 6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.633 7.910 5.549 1.00 0.00 H new ATOM 776 N THR A 47 -17.111 8.386 5.447 1.00 0.00 N ATOM 777 CA THR A 47 -15.651 8.385 5.443 1.00 0.00 C ATOM 778 C THR A 47 -15.096 7.196 4.664 1.00 0.00 C ATOM 779 O THR A 47 -15.732 6.147 4.576 1.00 0.00 O ATOM 780 CB THR A 47 -15.120 8.360 6.878 1.00 0.00 C ATOM 781 OG1 THR A 47 -15.644 9.442 7.626 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.610 8.437 6.957 1.00 0.00 C ATOM 0 H THR A 47 -17.533 7.500 5.725 1.00 0.00 H new ATOM 0 HA THR A 47 -15.319 9.298 4.949 1.00 0.00 H new ATOM 0 HB THR A 47 -15.442 7.403 7.289 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.294 9.407 8.541 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.299 8.415 8.001 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.174 7.588 6.430 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.268 9.364 6.496 1.00 0.00 H new ATOM 790 N HIS A 48 -13.898 7.363 4.115 1.00 0.00 N ATOM 791 CA HIS A 48 -13.250 6.300 3.355 1.00 0.00 C ATOM 792 C HIS A 48 -12.262 5.545 4.240 1.00 0.00 C ATOM 793 O HIS A 48 -11.462 6.154 4.948 1.00 0.00 O ATOM 794 CB HIS A 48 -12.528 6.878 2.138 1.00 0.00 C ATOM 795 CG HIS A 48 -13.435 7.620 1.206 1.00 0.00 C ATOM 796 ND1 HIS A 48 -13.415 7.446 -0.162 1.00 0.00 N ATOM 797 CD2 HIS A 48 -14.395 8.545 1.450 1.00 0.00 C ATOM 798 CE1 HIS A 48 -14.321 8.229 -0.718 1.00 0.00 C ATOM 799 NE2 HIS A 48 -14.930 8.906 0.237 1.00 0.00 N ATOM 0 H HIS A 48 -13.356 8.224 4.182 1.00 0.00 H new ATOM 0 HA HIS A 48 -14.016 5.606 3.009 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.740 7.550 2.478 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.044 6.068 1.593 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.685 8.927 2.418 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.529 8.303 -1.775 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.677 9.587 0.097 1.00 0.00 H new ATOM 808 N THR A 49 -12.333 4.217 4.207 1.00 0.00 N ATOM 809 CA THR A 49 -11.447 3.391 5.022 1.00 0.00 C ATOM 810 C THR A 49 -10.693 2.372 4.174 1.00 0.00 C ATOM 811 O THR A 49 -11.256 1.773 3.261 1.00 0.00 O ATOM 812 CB THR A 49 -12.249 2.670 6.106 1.00 0.00 C ATOM 813 OG1 THR A 49 -12.973 3.597 6.895 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.388 1.848 7.041 1.00 0.00 C ATOM 0 H THR A 49 -12.990 3.693 3.629 1.00 0.00 H new ATOM 0 HA THR A 49 -10.715 4.051 5.488 1.00 0.00 H new ATOM 0 HB THR A 49 -12.919 1.999 5.569 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.481 3.116 7.581 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.020 1.363 7.785 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.853 1.089 6.470 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.671 2.499 7.542 1.00 0.00 H new ATOM 822 N SER A 50 -9.417 2.180 4.490 1.00 0.00 N ATOM 823 CA SER A 50 -8.583 1.228 3.764 1.00 0.00 C ATOM 824 C SER A 50 -7.664 0.474 4.721 1.00 0.00 C ATOM 825 O SER A 50 -7.112 1.059 5.655 1.00 0.00 O ATOM 826 CB SER A 50 -7.756 1.947 2.695 1.00 0.00 C ATOM 827 OG SER A 50 -8.564 2.818 1.926 1.00 0.00 O ATOM 0 H SER A 50 -8.937 2.671 5.244 1.00 0.00 H new ATOM 0 HA SER A 50 -9.238 0.507 3.275 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.955 2.514 3.170 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.283 1.213 2.042 1.00 0.00 H new ATOM 0 HG SER A 50 -8.170 2.928 1.035 1.00 0.00 H new ATOM 833 N ASP A 51 -7.505 -0.825 4.487 1.00 0.00 N ATOM 834 CA ASP A 51 -6.654 -1.656 5.334 1.00 0.00 C ATOM 835 C ASP A 51 -5.511 -2.269 4.529 1.00 0.00 C ATOM 836 O ASP A 51 -5.673 -2.599 3.354 1.00 0.00 O ATOM 837 CB ASP A 51 -7.482 -2.762 5.992 1.00 0.00 C ATOM 838 CG ASP A 51 -8.085 -3.721 4.984 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.326 -4.268 4.155 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.316 -3.926 5.025 1.00 0.00 O ATOM 0 H ASP A 51 -7.953 -1.325 3.719 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.225 -1.021 6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.851 -3.319 6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.281 -2.311 6.581 1.00 0.00 H new ATOM 845 N ALA A 52 -4.357 -2.417 5.171 1.00 0.00 N ATOM 846 CA ALA A 52 -3.187 -2.992 4.515 1.00 0.00 C ATOM 847 C ALA A 52 -2.518 -4.041 5.395 1.00 0.00 C ATOM 848 O ALA A 52 -1.928 -3.718 6.427 1.00 0.00 O ATOM 849 CB ALA A 52 -2.195 -1.897 4.151 1.00 0.00 C ATOM 0 H ALA A 52 -4.206 -2.147 6.143 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.522 -3.485 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.327 -2.340 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.669 -1.187 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.877 -1.379 5.056 1.00 0.00 H new ATOM 855 N THR A 53 -2.609 -5.298 4.977 1.00 0.00 N ATOM 856 CA THR A 53 -2.011 -6.400 5.721 1.00 0.00 C ATOM 857 C THR A 53 -0.827 -6.984 4.960 1.00 0.00 C ATOM 858 O THR A 53 -1.002 -7.678 3.959 1.00 0.00 O ATOM 859 CB THR A 53 -3.050 -7.490 5.986 1.00 0.00 C ATOM 860 OG1 THR A 53 -4.287 -6.920 6.375 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.633 -8.465 7.064 1.00 0.00 C ATOM 0 H THR A 53 -3.093 -5.580 4.124 1.00 0.00 H new ATOM 0 HA THR A 53 -1.654 -6.012 6.675 1.00 0.00 H new ATOM 0 HB THR A 53 -3.145 -8.033 5.046 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.939 -7.633 6.539 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.415 -9.212 7.202 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.707 -8.959 6.769 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.476 -7.928 7.999 1.00 0.00 H new ATOM 869 N LEU A 54 0.381 -6.693 5.435 1.00 0.00 N ATOM 870 CA LEU A 54 1.594 -7.185 4.790 1.00 0.00 C ATOM 871 C LEU A 54 2.147 -8.404 5.523 1.00 0.00 C ATOM 872 O LEU A 54 2.051 -8.504 6.746 1.00 0.00 O ATOM 873 CB LEU A 54 2.652 -6.081 4.737 1.00 0.00 C ATOM 874 CG LEU A 54 2.392 -4.981 3.705 1.00 0.00 C ATOM 875 CD1 LEU A 54 0.991 -4.413 3.869 1.00 0.00 C ATOM 876 CD2 LEU A 54 3.433 -3.879 3.828 1.00 0.00 C ATOM 0 H LEU A 54 0.546 -6.120 6.263 1.00 0.00 H new ATOM 0 HA LEU A 54 1.339 -7.483 3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.726 -5.622 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.619 -6.536 4.524 1.00 0.00 H new ATOM 0 HG LEU A 54 2.469 -5.419 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.826 -3.633 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.258 -5.207 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.884 -3.991 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.233 -3.105 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.387 -3.445 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.426 -4.296 3.659 1.00 0.00 H new ATOM 888 N HIS A 55 2.729 -9.328 4.763 1.00 0.00 N ATOM 889 CA HIS A 55 3.299 -10.542 5.337 1.00 0.00 C ATOM 890 C HIS A 55 4.791 -10.370 5.608 1.00 0.00 C ATOM 891 O HIS A 55 5.559 -10.025 4.711 1.00 0.00 O ATOM 892 CB HIS A 55 3.075 -11.730 4.399 1.00 0.00 C ATOM 893 CG HIS A 55 1.729 -12.368 4.554 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.559 -13.704 4.846 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.484 -11.845 4.455 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.268 -13.977 4.921 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.406 -12.866 4.687 1.00 0.00 N ATOM 0 H HIS A 55 2.818 -9.259 3.749 1.00 0.00 H new ATOM 0 HA HIS A 55 2.796 -10.735 6.284 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.194 -11.396 3.368 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.846 -12.478 4.582 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.313 -14.378 4.983 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.237 -10.817 4.235 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.162 -14.944 5.137 1.00 0.00 H new ATOM 906 N VAL A 56 5.192 -10.614 6.852 1.00 0.00 N ATOM 907 CA VAL A 56 6.593 -10.490 7.244 1.00 0.00 C ATOM 908 C VAL A 56 7.228 -11.864 7.423 1.00 0.00 C ATOM 909 O VAL A 56 6.532 -12.881 7.442 1.00 0.00 O ATOM 910 CB VAL A 56 6.747 -9.687 8.554 1.00 0.00 C ATOM 911 CG1 VAL A 56 8.138 -9.079 8.648 1.00 0.00 C ATOM 912 CG2 VAL A 56 5.681 -8.606 8.658 1.00 0.00 C ATOM 0 H VAL A 56 4.567 -10.899 7.606 1.00 0.00 H new ATOM 0 HA VAL A 56 7.102 -9.954 6.443 1.00 0.00 H new ATOM 0 HB VAL A 56 6.614 -10.374 9.390 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.227 -8.517 9.578 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.884 -9.873 8.631 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.301 -8.410 7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.811 -8.055 9.589 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.774 -7.921 7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.693 -9.067 8.644 1.00 0.00 H new ATOM 922 N ASN A 57 8.552 -11.892 7.553 1.00 0.00 N ATOM 923 CA ASN A 57 9.282 -13.146 7.729 1.00 0.00 C ATOM 924 C ASN A 57 8.623 -14.024 8.790 1.00 0.00 C ATOM 925 O ASN A 57 7.987 -15.029 8.470 1.00 0.00 O ATOM 926 CB ASN A 57 10.735 -12.864 8.116 1.00 0.00 C ATOM 927 CG ASN A 57 11.605 -12.556 6.914 1.00 0.00 C ATOM 928 OD1 ASN A 57 12.287 -11.532 6.872 1.00 0.00 O ATOM 929 ND2 ASN A 57 11.585 -13.443 5.925 1.00 0.00 N ATOM 0 H ASN A 57 9.142 -11.060 7.540 1.00 0.00 H new ATOM 0 HA ASN A 57 9.261 -13.682 6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.767 -12.023 8.809 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.141 -13.727 8.643 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.150 -13.288 5.090 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.005 -14.279 6.001 1.00 0.00 H new ATOM 936 N GLY A 58 8.780 -13.640 10.052 1.00 0.00 N ATOM 937 CA GLY A 58 8.191 -14.404 11.138 1.00 0.00 C ATOM 938 C GLY A 58 7.050 -13.670 11.811 1.00 0.00 C ATOM 939 O GLY A 58 6.793 -13.863 13.000 1.00 0.00 O ATOM 0 H GLY A 58 9.304 -12.815 10.343 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.829 -15.357 10.753 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.959 -14.630 11.877 1.00 0.00 H new ATOM 943 N GLY A 59 6.362 -12.824 11.051 1.00 0.00 N ATOM 944 CA GLY A 59 5.249 -12.070 11.598 1.00 0.00 C ATOM 945 C GLY A 59 4.387 -11.444 10.520 1.00 0.00 C ATOM 946 O GLY A 59 4.710 -11.520 9.335 1.00 0.00 O ATOM 0 H GLY A 59 6.556 -12.647 10.065 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.635 -12.729 12.213 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.631 -11.287 12.253 1.00 0.00 H new ATOM 950 N GLU A 60 3.286 -10.824 10.932 1.00 0.00 N ATOM 951 CA GLU A 60 2.374 -10.181 9.994 1.00 0.00 C ATOM 952 C GLU A 60 1.855 -8.862 10.553 1.00 0.00 C ATOM 953 O GLU A 60 1.387 -8.799 11.690 1.00 0.00 O ATOM 954 CB GLU A 60 1.201 -11.109 9.675 1.00 0.00 C ATOM 955 CG GLU A 60 1.588 -12.310 8.827 1.00 0.00 C ATOM 956 CD GLU A 60 1.946 -13.523 9.662 1.00 0.00 C ATOM 957 OE1 GLU A 60 1.254 -13.774 10.673 1.00 0.00 O ATOM 958 OE2 GLU A 60 2.918 -14.223 9.307 1.00 0.00 O ATOM 0 H GLU A 60 3.004 -10.753 11.910 1.00 0.00 H new ATOM 0 HA GLU A 60 2.925 -9.973 9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.762 -11.460 10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.430 -10.541 9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.762 -12.562 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.436 -12.046 8.195 1.00 0.00 H new ATOM 965 N ILE A 61 1.939 -7.808 9.747 1.00 0.00 N ATOM 966 CA ILE A 61 1.475 -6.489 10.162 1.00 0.00 C ATOM 967 C ILE A 61 0.119 -6.169 9.547 1.00 0.00 C ATOM 968 O ILE A 61 -0.117 -6.434 8.367 1.00 0.00 O ATOM 969 CB ILE A 61 2.479 -5.390 9.767 1.00 0.00 C ATOM 970 CG1 ILE A 61 3.893 -5.777 10.204 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.075 -4.057 10.381 1.00 0.00 C ATOM 972 CD1 ILE A 61 4.977 -4.964 9.531 1.00 0.00 C ATOM 0 H ILE A 61 2.324 -7.842 8.803 1.00 0.00 H new ATOM 0 HA ILE A 61 1.383 -6.511 11.248 1.00 0.00 H new ATOM 0 HB ILE A 61 2.471 -5.286 8.682 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.977 -5.656 11.284 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.055 -6.833 9.988 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.794 -3.291 10.093 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.084 -3.777 10.024 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.057 -4.147 11.467 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.953 -5.292 9.888 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.920 -5.104 8.452 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.840 -3.909 9.768 1.00 0.00 H new ATOM 984 N HIS A 62 -0.768 -5.586 10.347 1.00 0.00 N ATOM 985 CA HIS A 62 -2.098 -5.218 9.878 1.00 0.00 C ATOM 986 C HIS A 62 -2.450 -3.800 10.313 1.00 0.00 C ATOM 987 O HIS A 62 -2.628 -3.533 11.502 1.00 0.00 O ATOM 988 CB HIS A 62 -3.142 -6.203 10.410 1.00 0.00 C ATOM 989 CG HIS A 62 -4.456 -6.122 9.696 1.00 0.00 C ATOM 990 ND1 HIS A 62 -5.572 -6.830 10.090 1.00 0.00 N ATOM 991 CD2 HIS A 62 -4.830 -5.410 8.607 1.00 0.00 C ATOM 992 CE1 HIS A 62 -6.574 -6.558 9.273 1.00 0.00 C ATOM 993 NE2 HIS A 62 -6.151 -5.700 8.366 1.00 0.00 N ATOM 0 H HIS A 62 -0.589 -5.358 11.325 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.098 -5.257 8.789 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.752 -7.217 10.323 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.302 -6.013 11.471 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.206 -4.739 8.035 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.571 -6.969 9.337 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.714 -5.314 7.608 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.551 -2.892 9.350 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.883 -1.503 9.643 1.00 0.00 C ATOM 1004 C ALA A 63 -4.050 -1.025 8.788 1.00 0.00 C ATOM 1005 O ALA A 63 -4.347 -1.606 7.746 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.666 -0.615 9.428 1.00 0.00 C ATOM 0 H ALA A 63 -2.408 -3.092 8.360 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.186 -1.439 10.688 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.927 0.420 9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.860 -0.936 10.088 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.338 -0.692 8.391 1.00 0.00 H new ATOM 1012 N SER A 64 -4.704 0.044 9.233 1.00 0.00 N ATOM 1013 CA SER A 64 -5.835 0.606 8.505 1.00 0.00 C ATOM 1014 C SER A 64 -5.791 2.130 8.552 1.00 0.00 C ATOM 1015 O SER A 64 -5.818 2.728 9.628 1.00 0.00 O ATOM 1016 CB SER A 64 -7.153 0.101 9.096 1.00 0.00 C ATOM 1017 OG SER A 64 -7.112 -1.297 9.316 1.00 0.00 O ATOM 0 H SER A 64 -4.470 0.538 10.094 1.00 0.00 H new ATOM 0 HA SER A 64 -5.771 0.284 7.466 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.353 0.614 10.036 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.974 0.342 8.420 1.00 0.00 H new ATOM 0 HG SER A 64 -7.966 -1.594 9.695 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.716 2.754 7.382 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.659 4.209 7.299 1.00 0.00 C ATOM 1025 C ALA A 65 -6.929 4.782 6.681 1.00 0.00 C ATOM 1026 O ALA A 65 -7.509 4.197 5.766 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.437 4.643 6.504 1.00 0.00 C ATOM 0 H ALA A 65 -5.693 2.277 6.481 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.579 4.601 8.313 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.406 5.731 6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.535 4.279 6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.493 4.231 5.497 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.351 5.937 7.185 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.547 6.604 6.684 1.00 0.00 C ATOM 1035 C GLU A 66 -8.175 7.876 5.931 1.00 0.00 C ATOM 1036 O GLU A 66 -7.175 8.521 6.242 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.493 6.938 7.838 1.00 0.00 C ATOM 1038 CG GLU A 66 -8.874 7.835 8.896 1.00 0.00 C ATOM 1039 CD GLU A 66 -9.867 8.820 9.481 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -10.603 8.436 10.414 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -9.911 9.973 9.003 1.00 0.00 O ATOM 0 H GLU A 66 -6.880 6.432 7.943 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.054 5.927 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.383 7.424 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.821 6.010 8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.466 7.218 9.696 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.039 8.383 8.459 1.00 0.00 H new ATOM 1048 N GLY A 67 -8.982 8.230 4.935 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.711 9.422 4.157 1.00 0.00 C ATOM 1050 C GLY A 67 -9.971 10.062 3.609 1.00 0.00 C ATOM 1051 O GLY A 67 -11.009 9.411 3.497 1.00 0.00 O ATOM 0 H GLY A 67 -9.816 7.713 4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.182 10.144 4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.048 9.168 3.330 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.877 11.344 3.270 1.00 0.00 N ATOM 1056 CA GLN A 68 -11.015 12.083 2.733 1.00 0.00 C ATOM 1057 C GLN A 68 -11.519 11.464 1.430 1.00 0.00 C ATOM 1058 O GLN A 68 -12.631 11.754 0.989 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.628 13.544 2.501 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.754 14.391 1.927 1.00 0.00 C ATOM 1061 CD GLN A 68 -12.020 15.641 2.741 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -11.092 16.346 3.140 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -13.292 15.924 2.993 1.00 0.00 N ATOM 0 H GLN A 68 -9.022 11.894 3.358 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.822 12.033 3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.303 13.979 3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.775 13.582 1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.505 14.675 0.905 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.664 13.793 1.879 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.030 15.312 2.643 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.532 16.753 3.537 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.703 10.610 0.815 1.00 0.00 N ATOM 1073 CA ASP A 69 -11.083 9.960 -0.433 1.00 0.00 C ATOM 1074 C ASP A 69 -10.415 8.593 -0.558 1.00 0.00 C ATOM 1075 O ASP A 69 -9.505 8.265 0.204 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.705 10.836 -1.631 1.00 0.00 C ATOM 1077 CG ASP A 69 -9.327 11.454 -1.488 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -8.338 10.790 -1.864 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -9.237 12.601 -1.002 1.00 0.00 O ATOM 0 H ASP A 69 -9.778 10.354 1.161 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.164 9.820 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.738 10.236 -2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.445 11.628 -1.745 1.00 0.00 H new ATOM 1084 N MET A 70 -10.872 7.799 -1.519 1.00 0.00 N ATOM 1085 CA MET A 70 -10.320 6.467 -1.741 1.00 0.00 C ATOM 1086 C MET A 70 -8.829 6.534 -2.069 1.00 0.00 C ATOM 1087 O MET A 70 -8.111 5.544 -1.929 1.00 0.00 O ATOM 1088 CB MET A 70 -11.070 5.763 -2.873 1.00 0.00 C ATOM 1089 CG MET A 70 -10.744 4.282 -2.988 1.00 0.00 C ATOM 1090 SD MET A 70 -9.469 3.946 -4.217 1.00 0.00 S ATOM 1091 CE MET A 70 -8.236 3.127 -3.210 1.00 0.00 C ATOM 0 H MET A 70 -11.625 8.055 -2.158 1.00 0.00 H new ATOM 0 HA MET A 70 -10.443 5.897 -0.820 1.00 0.00 H new ATOM 0 HB2 MET A 70 -12.142 5.880 -2.715 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.831 6.254 -3.817 1.00 0.00 H new ATOM 0 HG2 MET A 70 -10.415 3.910 -2.018 1.00 0.00 H new ATOM 0 HG3 MET A 70 -11.649 3.734 -3.250 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.252 3.541 -3.431 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.466 3.281 -2.156 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.238 2.059 -3.429 1.00 0.00 H new ATOM 1101 N TYR A 71 -8.367 7.704 -2.499 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.961 7.890 -2.841 1.00 0.00 C ATOM 1103 C TYR A 71 -6.149 8.268 -1.605 1.00 0.00 C ATOM 1104 O TYR A 71 -5.013 7.825 -1.438 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.812 8.967 -3.914 1.00 0.00 C ATOM 1106 CG TYR A 71 -7.208 8.504 -5.298 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.784 7.274 -5.786 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -8.003 9.297 -6.116 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -7.144 6.847 -7.051 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -8.366 8.876 -7.381 1.00 0.00 C ATOM 1111 CZ TYR A 71 -7.934 7.651 -7.843 1.00 0.00 C ATOM 1112 OH TYR A 71 -8.294 7.229 -9.103 1.00 0.00 O ATOM 0 H TYR A 71 -8.945 8.536 -2.619 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.579 6.947 -3.232 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.422 9.828 -3.640 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.776 9.305 -3.936 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.164 6.642 -5.168 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.343 10.258 -5.758 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.808 5.888 -7.416 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -8.985 9.504 -8.005 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.853 7.912 -9.530 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.742 9.088 -0.743 1.00 0.00 N ATOM 1123 CA ALA A 72 -6.077 9.524 0.477 1.00 0.00 C ATOM 1124 C ALA A 72 -5.826 8.347 1.413 1.00 0.00 C ATOM 1125 O ALA A 72 -4.753 8.228 2.006 1.00 0.00 O ATOM 1126 CB ALA A 72 -6.907 10.591 1.176 1.00 0.00 C ATOM 0 H ALA A 72 -7.682 9.463 -0.868 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.112 9.951 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.399 10.909 2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.032 11.447 0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.885 10.183 1.430 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.825 7.479 1.543 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.722 6.310 2.408 1.00 0.00 C ATOM 1134 C ALA A 73 -5.491 5.473 2.066 1.00 0.00 C ATOM 1135 O ALA A 73 -4.828 4.938 2.954 1.00 0.00 O ATOM 1136 CB ALA A 73 -7.981 5.465 2.304 1.00 0.00 C ATOM 0 H ALA A 73 -7.718 7.565 1.058 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.614 6.660 3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.890 4.595 2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.843 6.058 2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.113 5.135 1.274 1.00 0.00 H new ATOM 1142 N ILE A 74 -5.194 5.365 0.775 1.00 0.00 N ATOM 1143 CA ILE A 74 -4.042 4.594 0.321 1.00 0.00 C ATOM 1144 C ILE A 74 -2.739 5.334 0.611 1.00 0.00 C ATOM 1145 O ILE A 74 -1.721 4.719 0.925 1.00 0.00 O ATOM 1146 CB ILE A 74 -4.126 4.289 -1.188 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.462 3.627 -1.525 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.967 3.399 -1.617 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.736 2.372 -0.724 1.00 0.00 C ATOM 0 H ILE A 74 -5.733 5.800 0.027 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.053 3.653 0.872 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.059 5.230 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.266 4.342 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.478 3.381 -2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.042 3.194 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.024 3.905 -1.410 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.005 2.461 -1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.701 1.957 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.952 1.639 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.753 2.615 0.338 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.781 6.658 0.506 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.604 7.481 0.759 1.00 0.00 C ATOM 1163 C ASP A 75 -1.099 7.276 2.184 1.00 0.00 C ATOM 1164 O ASP A 75 0.057 6.906 2.399 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.929 8.958 0.525 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.892 9.647 -0.341 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -0.634 9.159 -1.461 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -0.339 10.676 0.101 1.00 0.00 O ATOM 0 H ASP A 75 -3.616 7.184 0.248 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.819 7.177 0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.907 9.042 0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.995 9.470 1.485 1.00 0.00 H new ATOM 1173 N GLY A 76 -1.974 7.512 3.156 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.600 7.343 4.546 1.00 0.00 C ATOM 1175 C GLY A 76 -1.414 5.886 4.918 1.00 0.00 C ATOM 1176 O GLY A 76 -0.659 5.563 5.835 1.00 0.00 O ATOM 0 H GLY A 76 -2.935 7.817 3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.675 7.886 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.367 7.783 5.183 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.104 5.004 4.203 1.00 0.00 N ATOM 1181 CA LEU A 77 -2.013 3.572 4.455 1.00 0.00 C ATOM 1182 C LEU A 77 -0.643 3.036 4.052 1.00 0.00 C ATOM 1183 O LEU A 77 -0.021 2.266 4.785 1.00 0.00 O ATOM 1184 CB LEU A 77 -3.115 2.832 3.690 1.00 0.00 C ATOM 1185 CG LEU A 77 -3.048 1.304 3.757 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.833 0.840 5.189 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -4.316 0.691 3.179 1.00 0.00 C ATOM 0 H LEU A 77 -2.734 5.258 3.442 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.146 3.403 5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.082 3.154 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.074 3.135 2.644 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.200 0.969 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.788 -0.249 5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.897 1.251 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.659 1.185 5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.253 -0.396 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.179 1.033 3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.426 0.996 2.138 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.174 3.457 2.882 1.00 0.00 N ATOM 1200 CA ILE A 78 1.125 3.028 2.382 1.00 0.00 C ATOM 1201 C ILE A 78 2.254 3.825 3.030 1.00 0.00 C ATOM 1202 O ILE A 78 3.420 3.435 2.957 1.00 0.00 O ATOM 1203 CB ILE A 78 1.209 3.173 0.848 1.00 0.00 C ATOM 1204 CG1 ILE A 78 0.117 2.337 0.180 1.00 0.00 C ATOM 1205 CG2 ILE A 78 2.585 2.753 0.342 1.00 0.00 C ATOM 1206 CD1 ILE A 78 0.189 0.868 0.534 1.00 0.00 C ATOM 0 H ILE A 78 -0.675 4.095 2.263 1.00 0.00 H new ATOM 0 HA ILE A 78 1.238 1.976 2.643 1.00 0.00 H new ATOM 0 HB ILE A 78 1.056 4.221 0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.859 2.727 0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.195 2.447 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.623 2.863 -0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.348 3.384 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.768 1.712 0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.613 0.332 0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.151 0.464 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.081 0.748 1.612 1.00 0.00 H new ATOM 1218 N ASP A 79 1.905 4.934 3.674 1.00 0.00 N ATOM 1219 CA ASP A 79 2.896 5.768 4.338 1.00 0.00 C ATOM 1220 C ASP A 79 3.325 5.136 5.660 1.00 0.00 C ATOM 1221 O ASP A 79 4.507 4.854 5.870 1.00 0.00 O ATOM 1222 CB ASP A 79 2.336 7.169 4.585 1.00 0.00 C ATOM 1223 CG ASP A 79 2.644 8.123 3.448 1.00 0.00 C ATOM 1224 OD1 ASP A 79 3.636 7.886 2.726 1.00 0.00 O ATOM 1225 OD2 ASP A 79 1.894 9.108 3.279 1.00 0.00 O ATOM 0 H ASP A 79 0.946 5.274 3.749 1.00 0.00 H new ATOM 0 HA ASP A 79 3.767 5.848 3.688 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.256 7.107 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.752 7.566 5.511 1.00 0.00 H new ATOM 1230 N LYS A 80 2.358 4.912 6.544 1.00 0.00 N ATOM 1231 CA LYS A 80 2.637 4.308 7.841 1.00 0.00 C ATOM 1232 C LYS A 80 3.086 2.861 7.677 1.00 0.00 C ATOM 1233 O LYS A 80 3.904 2.363 8.453 1.00 0.00 O ATOM 1234 CB LYS A 80 1.401 4.376 8.742 1.00 0.00 C ATOM 1235 CG LYS A 80 0.129 3.884 8.069 1.00 0.00 C ATOM 1236 CD LYS A 80 -0.623 2.897 8.948 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.756 3.573 9.702 1.00 0.00 C ATOM 1238 NZ LYS A 80 -2.638 2.583 10.382 1.00 0.00 N ATOM 0 H LYS A 80 1.376 5.139 6.386 1.00 0.00 H new ATOM 0 HA LYS A 80 3.444 4.871 8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.581 3.782 9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.255 5.406 9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.515 4.733 7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.379 3.410 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.024 2.092 8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.067 2.442 9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.342 4.259 10.441 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.348 4.171 9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.281 3.079 11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.195 2.068 9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.055 1.910 10.919 1.00 0.00 H new ATOM 1252 N LEU A 81 2.552 2.189 6.662 1.00 0.00 N ATOM 1253 CA LEU A 81 2.906 0.799 6.396 1.00 0.00 C ATOM 1254 C LEU A 81 4.384 0.674 6.046 1.00 0.00 C ATOM 1255 O LEU A 81 5.090 -0.178 6.583 1.00 0.00 O ATOM 1256 CB LEU A 81 2.048 0.239 5.258 1.00 0.00 C ATOM 1257 CG LEU A 81 0.682 -0.326 5.670 1.00 0.00 C ATOM 1258 CD1 LEU A 81 0.774 -1.827 5.894 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.155 0.367 6.920 1.00 0.00 C ATOM 0 H LEU A 81 1.873 2.584 6.011 1.00 0.00 H new ATOM 0 HA LEU A 81 2.715 0.221 7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.887 1.030 4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.611 -0.549 4.758 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.020 -0.135 4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.203 -2.212 6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.095 -2.313 4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.496 -2.033 6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.814 -0.054 7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.855 0.217 7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.046 1.434 6.726 1.00 0.00 H new ATOM 1271 N ALA A 82 4.849 1.533 5.142 1.00 0.00 N ATOM 1272 CA ALA A 82 6.247 1.515 4.726 1.00 0.00 C ATOM 1273 C ALA A 82 7.176 1.708 5.919 1.00 0.00 C ATOM 1274 O ALA A 82 8.034 0.869 6.192 1.00 0.00 O ATOM 1275 CB ALA A 82 6.499 2.592 3.678 1.00 0.00 C ATOM 0 H ALA A 82 4.280 2.247 4.686 1.00 0.00 H new ATOM 0 HA ALA A 82 6.459 0.540 4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.546 2.568 3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.866 2.409 2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.265 3.570 4.098 1.00 0.00 H new ATOM 1281 N ARG A 83 6.999 2.820 6.627 1.00 0.00 N ATOM 1282 CA ARG A 83 7.822 3.128 7.795 1.00 0.00 C ATOM 1283 C ARG A 83 7.879 1.946 8.759 1.00 0.00 C ATOM 1284 O ARG A 83 8.899 1.715 9.413 1.00 0.00 O ATOM 1285 CB ARG A 83 7.275 4.361 8.517 1.00 0.00 C ATOM 1286 CG ARG A 83 7.160 5.588 7.627 1.00 0.00 C ATOM 1287 CD ARG A 83 8.173 6.655 8.012 1.00 0.00 C ATOM 1288 NE ARG A 83 7.645 8.004 7.825 1.00 0.00 N ATOM 1289 CZ ARG A 83 8.264 9.106 8.246 1.00 0.00 C ATOM 1290 NH1 ARG A 83 9.427 9.022 8.877 1.00 0.00 N ATOM 1291 NH2 ARG A 83 7.714 10.294 8.035 1.00 0.00 N ATOM 0 H ARG A 83 6.293 3.524 6.413 1.00 0.00 H new ATOM 0 HA ARG A 83 8.834 3.333 7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.292 4.126 8.926 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.924 4.595 9.361 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.312 5.299 6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.153 5.998 7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.463 6.520 9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.075 6.532 7.412 1.00 0.00 H new ATOM 0 HE ARG A 83 6.751 8.108 7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.853 8.110 9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.896 9.869 9.197 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.819 10.363 7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.186 11.139 8.357 1.00 0.00 H new ATOM 1305 N GLN A 84 6.785 1.196 8.840 1.00 0.00 N ATOM 1306 CA GLN A 84 6.718 0.037 9.721 1.00 0.00 C ATOM 1307 C GLN A 84 7.501 -1.132 9.131 1.00 0.00 C ATOM 1308 O GLN A 84 8.261 -1.800 9.832 1.00 0.00 O ATOM 1309 CB GLN A 84 5.262 -0.371 9.952 1.00 0.00 C ATOM 1310 CG GLN A 84 4.485 0.610 10.814 1.00 0.00 C ATOM 1311 CD GLN A 84 4.097 0.025 12.158 1.00 0.00 C ATOM 1312 OE1 GLN A 84 3.010 -0.534 12.315 1.00 0.00 O ATOM 1313 NE2 GLN A 84 4.984 0.153 13.138 1.00 0.00 N ATOM 0 H GLN A 84 5.933 1.370 8.306 1.00 0.00 H new ATOM 0 HA GLN A 84 7.165 0.308 10.678 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.763 -0.469 8.988 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.239 -1.353 10.424 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.087 1.505 10.972 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.585 0.920 10.283 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.872 0.623 12.964 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.777 -0.219 14.065 1.00 0.00 H new ATOM 1322 N LEU A 85 7.311 -1.366 7.838 1.00 0.00 N ATOM 1323 CA LEU A 85 8.001 -2.449 7.148 1.00 0.00 C ATOM 1324 C LEU A 85 9.513 -2.278 7.249 1.00 0.00 C ATOM 1325 O LEU A 85 10.238 -3.234 7.517 1.00 0.00 O ATOM 1326 CB LEU A 85 7.576 -2.502 5.677 1.00 0.00 C ATOM 1327 CG LEU A 85 6.310 -3.315 5.377 1.00 0.00 C ATOM 1328 CD1 LEU A 85 6.674 -4.742 4.995 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.354 -3.308 6.565 1.00 0.00 C ATOM 0 H LEU A 85 6.685 -0.820 7.246 1.00 0.00 H new ATOM 0 HA LEU A 85 7.726 -3.388 7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.422 -1.482 5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.399 -2.918 5.095 1.00 0.00 H new ATOM 0 HG LEU A 85 5.801 -2.846 4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.765 -5.306 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.307 -4.731 4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.211 -5.213 5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.467 -3.892 6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.849 -3.744 7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.062 -2.282 6.791 1.00 0.00 H new ATOM 1341 N THR A 86 9.980 -1.051 7.034 1.00 0.00 N ATOM 1342 CA THR A 86 11.407 -0.752 7.103 1.00 0.00 C ATOM 1343 C THR A 86 11.948 -0.997 8.508 1.00 0.00 C ATOM 1344 O THR A 86 13.041 -1.540 8.676 1.00 0.00 O ATOM 1345 CB THR A 86 11.666 0.697 6.690 1.00 0.00 C ATOM 1346 OG1 THR A 86 10.994 1.003 5.481 1.00 0.00 O ATOM 1347 CG2 THR A 86 13.134 1.009 6.491 1.00 0.00 C ATOM 0 H THR A 86 9.391 -0.248 6.811 1.00 0.00 H new ATOM 0 HA THR A 86 11.925 -1.418 6.413 1.00 0.00 H new ATOM 0 HB THR A 86 11.290 1.303 7.514 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.943 0.199 4.922 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.248 2.053 6.199 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.673 0.832 7.422 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.540 0.367 5.709 1.00 0.00 H new ATOM 1355 N LYS A 87 11.176 -0.596 9.515 1.00 0.00 N ATOM 1356 CA LYS A 87 11.581 -0.775 10.906 1.00 0.00 C ATOM 1357 C LYS A 87 11.974 -2.224 11.180 1.00 0.00 C ATOM 1358 O LYS A 87 13.069 -2.498 11.673 1.00 0.00 O ATOM 1359 CB LYS A 87 10.448 -0.358 11.845 1.00 0.00 C ATOM 1360 CG LYS A 87 10.917 -0.016 13.250 1.00 0.00 C ATOM 1361 CD LYS A 87 9.749 0.087 14.218 1.00 0.00 C ATOM 1362 CE LYS A 87 9.019 1.413 14.071 1.00 0.00 C ATOM 1363 NZ LYS A 87 9.359 2.358 15.169 1.00 0.00 N ATOM 0 H LYS A 87 10.269 -0.146 9.394 1.00 0.00 H new ATOM 0 HA LYS A 87 12.450 -0.142 11.088 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.936 0.506 11.422 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.718 -1.165 11.901 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.613 -0.779 13.598 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.461 0.928 13.233 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.054 -0.734 14.040 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.112 -0.018 15.240 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.274 1.864 13.112 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.943 1.237 14.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.841 3.250 15.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.092 1.939 16.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.382 2.547 15.160 1.00 0.00 H new ATOM 1377 N HIS A 88 11.074 -3.146 10.861 1.00 0.00 N ATOM 1378 CA HIS A 88 11.330 -4.567 11.077 1.00 0.00 C ATOM 1379 C HIS A 88 12.324 -5.115 10.051 1.00 0.00 C ATOM 1380 O HIS A 88 12.895 -6.189 10.242 1.00 0.00 O ATOM 1381 CB HIS A 88 10.015 -5.362 11.037 1.00 0.00 C ATOM 1382 CG HIS A 88 9.562 -5.743 9.660 1.00 0.00 C ATOM 1383 ND1 HIS A 88 8.402 -5.260 9.088 1.00 0.00 N ATOM 1384 CD2 HIS A 88 10.111 -6.574 8.743 1.00 0.00 C ATOM 1385 CE1 HIS A 88 8.259 -5.781 7.881 1.00 0.00 C ATOM 1386 NE2 HIS A 88 9.283 -6.580 7.648 1.00 0.00 N ATOM 0 H HIS A 88 10.163 -2.938 10.453 1.00 0.00 H new ATOM 0 HA HIS A 88 11.776 -4.682 12.065 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.135 -6.268 11.630 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.233 -4.771 11.513 1.00 0.00 H new ATOM 0 HD2 HIS A 88 11.031 -7.130 8.853 1.00 0.00 H new ATOM 0 HE1 HIS A 88 7.443 -5.586 7.201 1.00 0.00 H new ATOM 0 HE2 HIS A 88 9.435 -7.115 6.793 1.00 0.00 H new ATOM 1395 N LYS A 89 12.525 -4.377 8.962 1.00 0.00 N ATOM 1396 CA LYS A 89 13.447 -4.798 7.911 1.00 0.00 C ATOM 1397 C LYS A 89 14.901 -4.611 8.340 1.00 0.00 C ATOM 1398 O LYS A 89 15.796 -5.287 7.833 1.00 0.00 O ATOM 1399 CB LYS A 89 13.180 -4.014 6.623 1.00 0.00 C ATOM 1400 CG LYS A 89 13.108 -4.888 5.383 1.00 0.00 C ATOM 1401 CD LYS A 89 14.493 -5.178 4.824 1.00 0.00 C ATOM 1402 CE LYS A 89 15.154 -3.919 4.286 1.00 0.00 C ATOM 1403 NZ LYS A 89 16.547 -3.765 4.789 1.00 0.00 N ATOM 0 H LYS A 89 12.062 -3.485 8.785 1.00 0.00 H new ATOM 0 HA LYS A 89 13.279 -5.859 7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.242 -3.468 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.967 -3.272 6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.609 -5.826 5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.504 -4.393 4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 89 15.117 -5.612 5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.417 -5.918 4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 89 15.163 -3.951 3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 89 14.565 -3.048 4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.963 -2.895 4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.537 -3.709 5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 17.116 -4.583 4.492 1.00 0.00 H new ATOM 1417 N ASP A 90 15.133 -3.690 9.271 1.00 0.00 N ATOM 1418 CA ASP A 90 16.483 -3.422 9.755 1.00 0.00 C ATOM 1419 C ASP A 90 16.883 -4.404 10.856 1.00 0.00 C ATOM 1420 O ASP A 90 18.067 -4.578 11.140 1.00 0.00 O ATOM 1421 CB ASP A 90 16.587 -1.986 10.274 1.00 0.00 C ATOM 1422 CG ASP A 90 15.679 -1.732 11.463 1.00 0.00 C ATOM 1423 OD1 ASP A 90 15.786 -2.472 12.462 1.00 0.00 O ATOM 1424 OD2 ASP A 90 14.861 -0.790 11.393 1.00 0.00 O ATOM 0 H ASP A 90 14.407 -3.119 9.704 1.00 0.00 H new ATOM 0 HA ASP A 90 17.169 -3.551 8.918 1.00 0.00 H new ATOM 0 HB2 ASP A 90 17.619 -1.779 10.558 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.332 -1.294 9.472 1.00 0.00 H new