USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 590 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 24 THR OG1 : rot 23:sc= 0.0857 USER MOD Single : A 33 ASN : amide:sc= -1.03 K(o=-1,f=-0.49) USER MOD Single : A 34 HIS : no HD1:sc= -0.922 K(o=-0.92,f=0.26) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00844 USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= -1.69! (180deg=-2.01!) USER MOD Single : A 49 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 52 LYS NZ :NH3+ 138:sc= -0.0515 (180deg=-0.271) USER MOD Single : A 55 GLN : amide:sc= -0.762 K(o=-0.76,f=-4.5!) USER MOD Single : A 56 THR OG1 : rot 79:sc= 1.06 USER MOD Single : A 57 GLN : amide:sc= 0.0602 X(o=0.06,f=-0.13) USER MOD Single : A 58 SER OG : rot -10:sc= 0.5 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot -101:sc= 1.15 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 86 THR OG1 : rot 73:sc= -0.674! USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 179:sc= -0.574 (180deg=-0.574) USER MOD Single : A 91 HIS : no HD1:sc= -0.088 X(o=-0.088,f=0.0036) USER MOD Single : A 94 CYS SG : rot 7:sc= -2.1! USER MOD Single : A 97 GLN : amide:sc= -0.799 K(o=-0.8,f=-0.013) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.821 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 2.463 -9.575 0.914 1.00 0.00 N ATOM 55 CA THR A 24 2.126 -10.839 1.578 1.00 0.00 C ATOM 56 C THR A 24 1.884 -11.874 0.467 1.00 0.00 C ATOM 57 O THR A 24 0.885 -11.791 -0.245 1.00 0.00 O ATOM 58 CB THR A 24 0.843 -10.669 2.472 1.00 0.00 C ATOM 59 OG1 THR A 24 1.057 -9.612 3.422 1.00 0.00 O ATOM 60 CG2 THR A 24 0.454 -11.960 3.227 1.00 0.00 C ATOM 0 HA THR A 24 2.933 -11.161 2.237 1.00 0.00 H new ATOM 0 HB THR A 24 0.019 -10.429 1.800 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.751 -9.007 3.087 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.438 -11.777 3.825 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.252 -12.755 2.509 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.273 -12.260 3.880 1.00 0.00 H new ATOM 68 N LEU A 25 2.825 -12.820 0.295 1.00 0.00 N ATOM 69 CA LEU A 25 2.720 -13.878 -0.724 1.00 0.00 C ATOM 70 C LEU A 25 2.179 -15.160 -0.091 1.00 0.00 C ATOM 71 O LEU A 25 2.778 -15.718 0.830 1.00 0.00 O ATOM 72 CB LEU A 25 4.084 -14.140 -1.426 1.00 0.00 C ATOM 73 CG LEU A 25 4.560 -13.042 -2.430 1.00 0.00 C ATOM 74 CD1 LEU A 25 5.911 -13.421 -3.081 1.00 0.00 C ATOM 75 CD2 LEU A 25 3.475 -12.756 -3.510 1.00 0.00 C ATOM 0 H LEU A 25 3.675 -12.872 0.856 1.00 0.00 H new ATOM 0 HA LEU A 25 2.024 -13.540 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.848 -14.258 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.019 -15.088 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 25 4.714 -12.124 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.214 -12.636 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.669 -13.533 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.803 -14.361 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.836 -11.988 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.267 -13.669 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.562 -12.411 -3.026 1.00 0.00 H new ATOM 87 N VAL A 26 1.032 -15.588 -0.596 1.00 0.00 N ATOM 88 CA VAL A 26 0.344 -16.805 -0.176 1.00 0.00 C ATOM 89 C VAL A 26 0.520 -17.843 -1.290 1.00 0.00 C ATOM 90 O VAL A 26 0.345 -17.528 -2.466 1.00 0.00 O ATOM 91 CB VAL A 26 -1.185 -16.508 0.086 1.00 0.00 C ATOM 92 CG1 VAL A 26 -1.988 -17.788 0.415 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.366 -15.433 1.197 1.00 0.00 C ATOM 0 H VAL A 26 0.537 -15.084 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 26 0.763 -17.183 0.756 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.592 -16.111 -0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.033 -17.528 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.920 -18.485 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.578 -18.254 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.429 -15.249 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.917 -15.789 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.879 -14.507 0.890 1.00 0.00 H new ATOM 103 N ARG A 27 0.921 -19.055 -0.919 1.00 0.00 N ATOM 104 CA ARG A 27 1.005 -20.198 -1.846 1.00 0.00 C ATOM 105 C ARG A 27 -0.190 -21.136 -1.584 1.00 0.00 C ATOM 106 O ARG A 27 -0.923 -20.956 -0.601 1.00 0.00 O ATOM 107 CB ARG A 27 2.371 -20.925 -1.682 1.00 0.00 C ATOM 108 CG ARG A 27 2.646 -21.442 -0.256 1.00 0.00 C ATOM 109 CD ARG A 27 4.092 -21.921 -0.046 1.00 0.00 C ATOM 110 NE ARG A 27 4.418 -23.098 -0.874 1.00 0.00 N ATOM 111 CZ ARG A 27 4.734 -24.316 -0.406 1.00 0.00 C ATOM 112 NH1 ARG A 27 4.751 -24.565 0.898 1.00 0.00 N ATOM 113 NH2 ARG A 27 5.023 -25.289 -1.244 1.00 0.00 N ATOM 0 H ARG A 27 1.200 -19.282 0.036 1.00 0.00 H new ATOM 0 HA ARG A 27 0.953 -19.855 -2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.407 -21.766 -2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.170 -20.241 -1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.427 -20.648 0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.964 -22.264 -0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.779 -21.110 -0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.242 -22.166 1.005 1.00 0.00 H new ATOM 0 HE ARG A 27 4.402 -22.976 -1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.522 -23.825 1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.993 -25.496 1.236 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.007 -25.118 -2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.263 -26.214 -0.888 1.00 0.00 H new ATOM 127 N ILE A 28 -0.384 -22.128 -2.476 1.00 0.00 N ATOM 128 CA ILE A 28 -1.515 -23.084 -2.390 1.00 0.00 C ATOM 129 C ILE A 28 -1.520 -23.857 -1.047 1.00 0.00 C ATOM 130 O ILE A 28 -2.589 -24.170 -0.516 1.00 0.00 O ATOM 131 CB ILE A 28 -1.527 -24.074 -3.614 1.00 0.00 C ATOM 132 CG1 ILE A 28 -2.774 -25.029 -3.574 1.00 0.00 C ATOM 133 CG2 ILE A 28 -0.201 -24.863 -3.705 1.00 0.00 C ATOM 134 CD1 ILE A 28 -2.919 -25.948 -4.777 1.00 0.00 C ATOM 0 H ILE A 28 0.232 -22.292 -3.272 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.431 -22.495 -2.428 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.615 -23.477 -4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.716 -25.641 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.675 -24.422 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.238 -25.539 -4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.629 -24.167 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.058 -25.440 -2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.808 -26.567 -4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.014 -25.349 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.039 -26.587 -4.855 1.00 0.00 H new ATOM 146 N ALA A 29 -0.313 -24.096 -0.492 1.00 0.00 N ATOM 147 CA ALA A 29 -0.132 -24.773 0.810 1.00 0.00 C ATOM 148 C ALA A 29 -0.874 -24.024 1.941 1.00 0.00 C ATOM 149 O ALA A 29 -1.548 -24.650 2.764 1.00 0.00 O ATOM 150 CB ALA A 29 1.363 -24.914 1.138 1.00 0.00 C ATOM 0 H ALA A 29 0.565 -23.825 -0.935 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.566 -25.770 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.479 -25.414 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.852 -25.502 0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.820 -23.925 1.186 1.00 0.00 H new ATOM 156 N ASP A 30 -0.777 -22.672 1.929 1.00 0.00 N ATOM 157 CA ASP A 30 -1.449 -21.801 2.925 1.00 0.00 C ATOM 158 C ASP A 30 -2.978 -21.920 2.830 1.00 0.00 C ATOM 159 O ASP A 30 -3.664 -21.887 3.852 1.00 0.00 O ATOM 160 CB ASP A 30 -1.049 -20.317 2.751 1.00 0.00 C ATOM 161 CG ASP A 30 0.438 -20.036 3.001 1.00 0.00 C ATOM 162 OD1 ASP A 30 0.882 -20.116 4.167 1.00 0.00 O ATOM 163 OD2 ASP A 30 1.165 -19.726 2.050 1.00 0.00 O ATOM 0 H ASP A 30 -0.235 -22.158 1.234 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.120 -22.143 3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.303 -20.000 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.642 -19.709 3.434 1.00 0.00 H new ATOM 168 N LEU A 31 -3.482 -22.075 1.593 1.00 0.00 N ATOM 169 CA LEU A 31 -4.929 -22.190 1.320 1.00 0.00 C ATOM 170 C LEU A 31 -5.482 -23.466 1.977 1.00 0.00 C ATOM 171 O LEU A 31 -6.442 -23.420 2.750 1.00 0.00 O ATOM 172 CB LEU A 31 -5.203 -22.248 -0.211 1.00 0.00 C ATOM 173 CG LEU A 31 -4.640 -21.075 -1.074 1.00 0.00 C ATOM 174 CD1 LEU A 31 -4.905 -21.322 -2.579 1.00 0.00 C ATOM 175 CD2 LEU A 31 -5.205 -19.714 -0.618 1.00 0.00 C ATOM 0 H LEU A 31 -2.902 -22.124 0.756 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.424 -21.311 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.789 -23.181 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.282 -22.292 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.561 -21.041 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.504 -20.492 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.420 -22.248 -2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.978 -21.400 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.791 -18.921 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.291 -19.721 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.933 -19.537 0.423 1.00 0.00 H new ATOM 187 N GLU A 32 -4.801 -24.585 1.683 1.00 0.00 N ATOM 188 CA GLU A 32 -5.230 -25.941 2.062 1.00 0.00 C ATOM 189 C GLU A 32 -5.377 -26.102 3.589 1.00 0.00 C ATOM 190 O GLU A 32 -6.390 -26.625 4.069 1.00 0.00 O ATOM 191 CB GLU A 32 -4.220 -26.965 1.488 1.00 0.00 C ATOM 192 CG GLU A 32 -4.149 -26.980 -0.056 1.00 0.00 C ATOM 193 CD GLU A 32 -2.988 -27.827 -0.606 1.00 0.00 C ATOM 194 OE1 GLU A 32 -3.103 -29.071 -0.641 1.00 0.00 O ATOM 195 OE2 GLU A 32 -1.956 -27.256 -1.011 1.00 0.00 O ATOM 0 H GLU A 32 -3.922 -24.573 1.166 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.219 -26.122 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.229 -26.744 1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.489 -27.961 1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.089 -27.365 -0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.046 -25.957 -0.418 1.00 0.00 H new ATOM 202 N ASN A 33 -4.376 -25.622 4.351 1.00 0.00 N ATOM 203 CA ASN A 33 -4.384 -25.746 5.827 1.00 0.00 C ATOM 204 C ASN A 33 -5.338 -24.713 6.478 1.00 0.00 C ATOM 205 O ASN A 33 -5.908 -24.978 7.544 1.00 0.00 O ATOM 206 CB ASN A 33 -2.945 -25.633 6.418 1.00 0.00 C ATOM 207 CG ASN A 33 -2.406 -24.205 6.526 1.00 0.00 C ATOM 208 OD1 ASN A 33 -2.596 -23.533 7.534 1.00 0.00 O ATOM 209 ND2 ASN A 33 -1.713 -23.744 5.507 1.00 0.00 N ATOM 0 H ASN A 33 -3.555 -25.147 3.975 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.761 -26.740 6.066 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.938 -26.085 7.410 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.266 -26.217 5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.317 -22.805 5.543 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.571 -24.326 4.681 1.00 0.00 H new ATOM 216 N HIS A 34 -5.506 -23.538 5.826 1.00 0.00 N ATOM 217 CA HIS A 34 -6.392 -22.456 6.333 1.00 0.00 C ATOM 218 C HIS A 34 -7.881 -22.830 6.144 1.00 0.00 C ATOM 219 O HIS A 34 -8.755 -22.347 6.871 1.00 0.00 O ATOM 220 CB HIS A 34 -6.066 -21.092 5.665 1.00 0.00 C ATOM 221 CG HIS A 34 -6.575 -19.906 6.442 1.00 0.00 C ATOM 222 ND1 HIS A 34 -5.847 -19.297 7.442 1.00 0.00 N ATOM 223 CD2 HIS A 34 -7.747 -19.242 6.390 1.00 0.00 C ATOM 224 CE1 HIS A 34 -6.552 -18.322 7.964 1.00 0.00 C ATOM 225 NE2 HIS A 34 -7.708 -18.269 7.345 1.00 0.00 N ATOM 0 H HIS A 34 -5.040 -23.313 4.947 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.204 -22.347 7.401 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.986 -21.003 5.547 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.498 -21.074 4.665 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.566 -19.443 5.716 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.235 -17.673 8.767 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -8.457 -17.606 7.546 1.00 0.00 H new ATOM 234 N ASN A 35 -8.144 -23.683 5.143 1.00 0.00 N ATOM 235 CA ASN A 35 -9.472 -24.286 4.906 1.00 0.00 C ATOM 236 C ASN A 35 -9.902 -25.144 6.127 1.00 0.00 C ATOM 237 O ASN A 35 -11.076 -25.148 6.512 1.00 0.00 O ATOM 238 CB ASN A 35 -9.420 -25.125 3.600 1.00 0.00 C ATOM 239 CG ASN A 35 -10.750 -25.774 3.221 1.00 0.00 C ATOM 240 OD1 ASN A 35 -11.597 -25.161 2.569 1.00 0.00 O ATOM 241 ND2 ASN A 35 -10.939 -27.028 3.605 1.00 0.00 N ATOM 0 H ASN A 35 -7.439 -23.978 4.468 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.221 -23.503 4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.095 -24.483 2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.667 -25.905 3.712 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.804 -27.511 3.362 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.220 -27.510 4.144 1.00 0.00 H new ATOM 248 N ASN A 36 -8.919 -25.843 6.736 1.00 0.00 N ATOM 249 CA ASN A 36 -9.109 -26.631 7.984 1.00 0.00 C ATOM 250 C ASN A 36 -9.320 -25.697 9.195 1.00 0.00 C ATOM 251 O ASN A 36 -10.049 -26.032 10.131 1.00 0.00 O ATOM 252 CB ASN A 36 -7.876 -27.541 8.225 1.00 0.00 C ATOM 253 CG ASN A 36 -7.952 -28.386 9.506 1.00 0.00 C ATOM 254 OD1 ASN A 36 -7.471 -27.987 10.564 1.00 0.00 O ATOM 255 ND2 ASN A 36 -8.561 -29.557 9.423 1.00 0.00 N ATOM 0 H ASN A 36 -7.965 -25.880 6.377 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.998 -27.251 7.870 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.759 -28.208 7.371 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.983 -26.918 8.268 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.639 -30.151 10.249 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.952 -29.866 8.533 1.00 0.00 H new ATOM 262 N ASP A 37 -8.663 -24.526 9.148 1.00 0.00 N ATOM 263 CA ASP A 37 -8.776 -23.472 10.183 1.00 0.00 C ATOM 264 C ASP A 37 -10.212 -22.903 10.233 1.00 0.00 C ATOM 265 O ASP A 37 -10.702 -22.537 11.306 1.00 0.00 O ATOM 266 CB ASP A 37 -7.719 -22.361 9.881 1.00 0.00 C ATOM 267 CG ASP A 37 -7.985 -21.008 10.576 1.00 0.00 C ATOM 268 OD1 ASP A 37 -7.603 -20.846 11.751 1.00 0.00 O ATOM 269 OD2 ASP A 37 -8.585 -20.104 9.942 1.00 0.00 O ATOM 0 H ASP A 37 -8.032 -24.277 8.386 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.574 -23.893 11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.736 -22.722 10.184 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.681 -22.199 8.804 1.00 0.00 H new ATOM 274 N GLY A 38 -10.876 -22.848 9.063 1.00 0.00 N ATOM 275 CA GLY A 38 -12.281 -22.427 8.962 1.00 0.00 C ATOM 276 C GLY A 38 -12.471 -21.288 7.976 1.00 0.00 C ATOM 277 O GLY A 38 -13.559 -21.124 7.408 1.00 0.00 O ATOM 0 H GLY A 38 -10.454 -23.093 8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.891 -23.276 8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.637 -22.117 9.945 1.00 0.00 H new ATOM 281 N GLY A 39 -11.408 -20.482 7.792 1.00 0.00 N ATOM 282 CA GLY A 39 -11.408 -19.404 6.808 1.00 0.00 C ATOM 283 C GLY A 39 -11.282 -19.959 5.391 1.00 0.00 C ATOM 284 O GLY A 39 -10.221 -20.476 5.024 1.00 0.00 O ATOM 0 H GLY A 39 -10.539 -20.565 8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.328 -18.826 6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.582 -18.722 7.010 1.00 0.00 H new ATOM 288 N PHE A 40 -12.374 -19.909 4.615 1.00 0.00 N ATOM 289 CA PHE A 40 -12.371 -20.406 3.233 1.00 0.00 C ATOM 290 C PHE A 40 -11.741 -19.334 2.324 1.00 0.00 C ATOM 291 O PHE A 40 -12.342 -18.286 2.091 1.00 0.00 O ATOM 292 CB PHE A 40 -13.813 -20.765 2.760 1.00 0.00 C ATOM 293 CG PHE A 40 -13.862 -21.595 1.461 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.878 -20.985 0.204 1.00 0.00 C ATOM 295 CD2 PHE A 40 -13.890 -22.990 1.508 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.922 -21.737 -0.957 1.00 0.00 C ATOM 297 CE2 PHE A 40 -13.935 -23.743 0.344 1.00 0.00 C ATOM 298 CZ PHE A 40 -13.950 -23.116 -0.887 1.00 0.00 C ATOM 0 H PHE A 40 -13.270 -19.530 4.921 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.782 -21.321 3.179 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.316 -21.320 3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.375 -19.843 2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.856 -19.907 0.137 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -13.876 -23.490 2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.934 -21.245 -1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -13.958 -24.821 0.400 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.984 -23.703 -1.793 1.00 0.00 H new ATOM 308 N TRP A 41 -10.521 -19.608 1.851 1.00 0.00 N ATOM 309 CA TRP A 41 -9.788 -18.744 0.907 1.00 0.00 C ATOM 310 C TRP A 41 -9.920 -19.296 -0.525 1.00 0.00 C ATOM 311 O TRP A 41 -10.153 -20.494 -0.726 1.00 0.00 O ATOM 312 CB TRP A 41 -8.279 -18.660 1.306 1.00 0.00 C ATOM 313 CG TRP A 41 -7.963 -17.810 2.523 1.00 0.00 C ATOM 314 CD1 TRP A 41 -8.829 -17.069 3.276 1.00 0.00 C ATOM 315 CD2 TRP A 41 -6.663 -17.605 3.105 1.00 0.00 C ATOM 316 NE1 TRP A 41 -8.154 -16.416 4.275 1.00 0.00 N ATOM 317 CE2 TRP A 41 -6.826 -16.728 4.190 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.379 -18.080 2.808 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -5.757 -16.313 4.983 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.319 -17.666 3.592 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.513 -16.793 4.671 1.00 0.00 C ATOM 0 H TRP A 41 -10.004 -20.447 2.114 1.00 0.00 H new ATOM 0 HA TRP A 41 -10.218 -17.743 0.946 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.914 -19.671 1.488 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.720 -18.267 0.457 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.894 -17.006 3.108 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.575 -15.798 4.969 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.220 -18.757 1.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.905 -15.638 5.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.324 -18.021 3.369 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.665 -16.493 5.268 1.00 0.00 H new ATOM 332 N THR A 42 -9.781 -18.396 -1.506 1.00 0.00 N ATOM 333 CA THR A 42 -9.714 -18.738 -2.936 1.00 0.00 C ATOM 334 C THR A 42 -8.809 -17.725 -3.653 1.00 0.00 C ATOM 335 O THR A 42 -8.510 -16.657 -3.105 1.00 0.00 O ATOM 336 CB THR A 42 -11.131 -18.764 -3.609 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.038 -19.275 -4.953 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.785 -17.375 -3.647 1.00 0.00 C ATOM 0 H THR A 42 -9.711 -17.394 -1.328 1.00 0.00 H new ATOM 0 HA THR A 42 -9.301 -19.743 -3.023 1.00 0.00 H new ATOM 0 HB THR A 42 -11.756 -19.417 -3.000 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.929 -19.287 -5.361 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.763 -17.446 -4.122 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.902 -17.000 -2.630 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.155 -16.691 -4.216 1.00 0.00 H new ATOM 346 N VAL A 43 -8.382 -18.062 -4.881 1.00 0.00 N ATOM 347 CA VAL A 43 -7.448 -17.236 -5.665 1.00 0.00 C ATOM 348 C VAL A 43 -8.080 -16.814 -6.995 1.00 0.00 C ATOM 349 O VAL A 43 -8.426 -17.662 -7.826 1.00 0.00 O ATOM 350 CB VAL A 43 -6.104 -17.995 -5.930 1.00 0.00 C ATOM 351 CG1 VAL A 43 -5.134 -17.140 -6.786 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.460 -18.413 -4.594 1.00 0.00 C ATOM 0 H VAL A 43 -8.674 -18.915 -5.359 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.229 -16.343 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.323 -18.897 -6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.210 -17.695 -6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.599 -16.913 -7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.910 -16.211 -6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.526 -18.940 -4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.257 -17.526 -3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.140 -19.070 -4.052 1.00 0.00 H new ATOM 362 N ILE A 44 -8.246 -15.491 -7.166 1.00 0.00 N ATOM 363 CA ILE A 44 -8.735 -14.859 -8.407 1.00 0.00 C ATOM 364 C ILE A 44 -7.894 -13.587 -8.656 1.00 0.00 C ATOM 365 O ILE A 44 -7.571 -12.869 -7.706 1.00 0.00 O ATOM 366 CB ILE A 44 -10.273 -14.494 -8.312 1.00 0.00 C ATOM 367 CG1 ILE A 44 -11.124 -15.773 -8.012 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.774 -13.783 -9.602 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.593 -15.531 -7.752 1.00 0.00 C ATOM 0 H ILE A 44 -8.040 -14.815 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.628 -15.560 -9.235 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.398 -13.794 -7.486 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.030 -16.457 -8.856 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.698 -16.277 -7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.833 -13.548 -9.500 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.211 -12.862 -9.752 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.629 -14.440 -10.459 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.089 -16.481 -7.556 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.707 -14.877 -6.888 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.044 -15.060 -8.625 1.00 0.00 H new ATOM 381 N ASP A 45 -7.507 -13.353 -9.925 1.00 0.00 N ATOM 382 CA ASP A 45 -6.748 -12.152 -10.366 1.00 0.00 C ATOM 383 C ASP A 45 -5.347 -12.097 -9.688 1.00 0.00 C ATOM 384 O ASP A 45 -4.759 -11.028 -9.497 1.00 0.00 O ATOM 385 CB ASP A 45 -7.608 -10.864 -10.093 1.00 0.00 C ATOM 386 CG ASP A 45 -7.067 -9.573 -10.743 1.00 0.00 C ATOM 387 OD1 ASP A 45 -7.027 -9.503 -11.992 1.00 0.00 O ATOM 388 OD2 ASP A 45 -6.711 -8.611 -10.019 1.00 0.00 O ATOM 0 H ASP A 45 -7.713 -13.998 -10.688 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.561 -12.208 -11.438 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.622 -11.038 -10.454 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.675 -10.711 -9.016 1.00 0.00 H new ATOM 393 N GLY A 46 -4.784 -13.294 -9.393 1.00 0.00 N ATOM 394 CA GLY A 46 -3.482 -13.413 -8.713 1.00 0.00 C ATOM 395 C GLY A 46 -3.503 -12.924 -7.261 1.00 0.00 C ATOM 396 O GLY A 46 -2.451 -12.643 -6.674 1.00 0.00 O ATOM 0 H GLY A 46 -5.217 -14.190 -9.618 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.165 -14.456 -8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.737 -12.843 -9.269 1.00 0.00 H new ATOM 400 N LYS A 47 -4.714 -12.819 -6.689 1.00 0.00 N ATOM 401 CA LYS A 47 -4.942 -12.356 -5.313 1.00 0.00 C ATOM 402 C LYS A 47 -5.732 -13.422 -4.547 1.00 0.00 C ATOM 403 O LYS A 47 -6.547 -14.138 -5.134 1.00 0.00 O ATOM 404 CB LYS A 47 -5.751 -11.029 -5.305 1.00 0.00 C ATOM 405 CG LYS A 47 -5.091 -9.823 -6.003 1.00 0.00 C ATOM 406 CD LYS A 47 -3.829 -9.332 -5.271 1.00 0.00 C ATOM 407 CE LYS A 47 -3.250 -8.044 -5.882 1.00 0.00 C ATOM 408 NZ LYS A 47 -1.966 -7.655 -5.255 1.00 0.00 N ATOM 0 H LYS A 47 -5.576 -13.058 -7.180 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.975 -12.184 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.715 -11.213 -5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.952 -10.757 -4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.830 -10.098 -7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.810 -9.007 -6.066 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.068 -9.156 -4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.071 -10.115 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.101 -8.187 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.969 -7.233 -5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.673 -6.723 -5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.084 -7.608 -4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.238 -8.360 -5.489 1.00 0.00 H new ATOM 422 N VAL A 48 -5.489 -13.510 -3.238 1.00 0.00 N ATOM 423 CA VAL A 48 -6.231 -14.399 -2.333 1.00 0.00 C ATOM 424 C VAL A 48 -7.291 -13.584 -1.582 1.00 0.00 C ATOM 425 O VAL A 48 -6.972 -12.535 -1.007 1.00 0.00 O ATOM 426 CB VAL A 48 -5.277 -15.106 -1.306 1.00 0.00 C ATOM 427 CG1 VAL A 48 -6.038 -16.139 -0.439 1.00 0.00 C ATOM 428 CG2 VAL A 48 -4.090 -15.761 -2.035 1.00 0.00 C ATOM 0 H VAL A 48 -4.767 -12.963 -2.769 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.708 -15.176 -2.931 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.888 -14.343 -0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.345 -16.608 0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.829 -15.635 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.476 -16.902 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.439 -16.246 -1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.462 -16.503 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.527 -14.998 -2.573 1.00 0.00 H new ATOM 438 N TYR A 49 -8.543 -14.065 -1.604 1.00 0.00 N ATOM 439 CA TYR A 49 -9.683 -13.421 -0.924 1.00 0.00 C ATOM 440 C TYR A 49 -10.308 -14.411 0.060 1.00 0.00 C ATOM 441 O TYR A 49 -10.361 -15.616 -0.226 1.00 0.00 O ATOM 442 CB TYR A 49 -10.768 -12.979 -1.945 1.00 0.00 C ATOM 443 CG TYR A 49 -10.234 -12.155 -3.123 1.00 0.00 C ATOM 444 CD1 TYR A 49 -10.071 -10.776 -3.027 1.00 0.00 C ATOM 445 CD2 TYR A 49 -9.873 -12.768 -4.324 1.00 0.00 C ATOM 446 CE1 TYR A 49 -9.574 -10.042 -4.081 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.376 -12.033 -5.370 1.00 0.00 C ATOM 448 CZ TYR A 49 -9.226 -10.676 -5.244 1.00 0.00 C ATOM 449 OH TYR A 49 -8.719 -9.944 -6.291 1.00 0.00 O ATOM 0 H TYR A 49 -8.798 -14.920 -2.098 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.314 -12.539 -0.400 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.265 -13.867 -2.335 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.524 -12.394 -1.422 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.339 -10.273 -2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.987 -13.837 -4.431 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.459 -8.972 -3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.103 -12.523 -6.293 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.521 -10.541 -7.042 1.00 0.00 H new ATOM 459 N ASP A 50 -10.794 -13.901 1.201 1.00 0.00 N ATOM 460 CA ASP A 50 -11.529 -14.718 2.178 1.00 0.00 C ATOM 461 C ASP A 50 -13.022 -14.737 1.807 1.00 0.00 C ATOM 462 O ASP A 50 -13.731 -13.740 1.986 1.00 0.00 O ATOM 463 CB ASP A 50 -11.311 -14.193 3.623 1.00 0.00 C ATOM 464 CG ASP A 50 -11.942 -15.094 4.709 1.00 0.00 C ATOM 465 OD1 ASP A 50 -11.780 -16.337 4.641 1.00 0.00 O ATOM 466 OD2 ASP A 50 -12.597 -14.573 5.633 1.00 0.00 O ATOM 0 H ASP A 50 -10.691 -12.923 1.471 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.147 -15.738 2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.241 -14.106 3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.732 -13.191 3.704 1.00 0.00 H new ATOM 471 N ILE A 51 -13.460 -15.875 1.247 1.00 0.00 N ATOM 472 CA ILE A 51 -14.875 -16.152 0.926 1.00 0.00 C ATOM 473 C ILE A 51 -15.738 -16.169 2.199 1.00 0.00 C ATOM 474 O ILE A 51 -16.912 -15.786 2.154 1.00 0.00 O ATOM 475 CB ILE A 51 -15.017 -17.519 0.138 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.455 -17.374 -1.305 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.469 -18.079 0.113 1.00 0.00 C ATOM 478 CD1 ILE A 51 -15.191 -16.358 -2.168 1.00 0.00 C ATOM 0 H ILE A 51 -12.835 -16.642 1.000 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.235 -15.348 0.284 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.425 -18.252 0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.405 -17.089 -1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.494 -18.346 -1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.488 -19.016 -0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -16.808 -18.256 1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -17.129 -17.357 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.734 -16.321 -3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -16.237 -16.651 -2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.130 -15.374 -1.703 1.00 0.00 H new ATOM 490 N LYS A 52 -15.138 -16.598 3.323 1.00 0.00 N ATOM 491 CA LYS A 52 -15.814 -16.623 4.628 1.00 0.00 C ATOM 492 C LYS A 52 -16.261 -15.190 5.031 1.00 0.00 C ATOM 493 O LYS A 52 -17.318 -15.005 5.634 1.00 0.00 O ATOM 494 CB LYS A 52 -14.877 -17.225 5.707 1.00 0.00 C ATOM 495 CG LYS A 52 -15.559 -17.502 7.082 1.00 0.00 C ATOM 496 CD LYS A 52 -14.653 -17.169 8.293 1.00 0.00 C ATOM 497 CE LYS A 52 -14.353 -15.659 8.395 1.00 0.00 C ATOM 498 NZ LYS A 52 -15.604 -14.846 8.497 1.00 0.00 N ATOM 0 H LYS A 52 -14.176 -16.935 3.351 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.701 -17.252 4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.462 -18.159 5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.040 -16.544 5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.475 -16.915 7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.848 -18.552 7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.137 -17.505 9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.716 -17.719 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.727 -15.472 9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.785 -15.342 7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.474 -14.097 9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.815 -14.416 7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.394 -15.459 8.782 1.00 0.00 H new ATOM 512 N ASP A 53 -15.423 -14.188 4.696 1.00 0.00 N ATOM 513 CA ASP A 53 -15.746 -12.759 4.896 1.00 0.00 C ATOM 514 C ASP A 53 -16.758 -12.263 3.843 1.00 0.00 C ATOM 515 O ASP A 53 -17.676 -11.519 4.174 1.00 0.00 O ATOM 516 CB ASP A 53 -14.463 -11.888 4.835 1.00 0.00 C ATOM 517 CG ASP A 53 -14.735 -10.410 5.190 1.00 0.00 C ATOM 518 OD1 ASP A 53 -15.015 -10.125 6.377 1.00 0.00 O ATOM 519 OD2 ASP A 53 -14.660 -9.530 4.306 1.00 0.00 O ATOM 0 H ASP A 53 -14.505 -14.345 4.280 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.195 -12.663 5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.720 -12.293 5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.036 -11.945 3.834 1.00 0.00 H new ATOM 524 N PHE A 54 -16.547 -12.679 2.575 1.00 0.00 N ATOM 525 CA PHE A 54 -17.394 -12.309 1.411 1.00 0.00 C ATOM 526 C PHE A 54 -18.885 -12.570 1.701 1.00 0.00 C ATOM 527 O PHE A 54 -19.731 -11.676 1.561 1.00 0.00 O ATOM 528 CB PHE A 54 -16.910 -13.112 0.166 1.00 0.00 C ATOM 529 CG PHE A 54 -17.551 -12.733 -1.171 1.00 0.00 C ATOM 530 CD1 PHE A 54 -18.748 -13.319 -1.590 1.00 0.00 C ATOM 531 CD2 PHE A 54 -16.947 -11.808 -2.017 1.00 0.00 C ATOM 532 CE1 PHE A 54 -19.315 -12.989 -2.806 1.00 0.00 C ATOM 533 CE2 PHE A 54 -17.515 -11.482 -3.234 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.697 -12.074 -3.627 1.00 0.00 C ATOM 0 H PHE A 54 -15.771 -13.292 2.323 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.294 -11.242 1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.831 -12.988 0.076 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.095 -14.171 0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -19.238 -14.041 -0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.021 -11.338 -1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -20.243 -13.449 -3.112 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -17.032 -10.762 -3.879 1.00 0.00 H new ATOM 0 HZ PHE A 54 -19.138 -11.819 -4.580 1.00 0.00 H new ATOM 544 N GLN A 55 -19.174 -13.796 2.148 1.00 0.00 N ATOM 545 CA GLN A 55 -20.539 -14.230 2.482 1.00 0.00 C ATOM 546 C GLN A 55 -21.091 -13.490 3.729 1.00 0.00 C ATOM 547 O GLN A 55 -22.302 -13.315 3.852 1.00 0.00 O ATOM 548 CB GLN A 55 -20.593 -15.769 2.655 1.00 0.00 C ATOM 549 CG GLN A 55 -19.654 -16.331 3.739 1.00 0.00 C ATOM 550 CD GLN A 55 -19.705 -17.859 3.911 1.00 0.00 C ATOM 551 OE1 GLN A 55 -18.703 -18.491 4.249 1.00 0.00 O ATOM 552 NE2 GLN A 55 -20.878 -18.457 3.738 1.00 0.00 N ATOM 0 H GLN A 55 -18.468 -14.519 2.290 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.189 -13.962 1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -21.616 -16.058 2.895 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -20.345 -16.236 1.702 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -18.631 -16.041 3.499 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -19.903 -15.864 4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -21.693 -17.911 3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -20.964 -19.463 3.885 1.00 0.00 H new ATOM 561 N THR A 56 -20.196 -13.053 4.640 1.00 0.00 N ATOM 562 CA THR A 56 -20.586 -12.238 5.816 1.00 0.00 C ATOM 563 C THR A 56 -21.060 -10.826 5.375 1.00 0.00 C ATOM 564 O THR A 56 -22.031 -10.285 5.919 1.00 0.00 O ATOM 565 CB THR A 56 -19.395 -12.110 6.830 1.00 0.00 C ATOM 566 OG1 THR A 56 -18.944 -13.419 7.210 1.00 0.00 O ATOM 567 CG2 THR A 56 -19.768 -11.317 8.101 1.00 0.00 C ATOM 0 H THR A 56 -19.197 -13.250 4.586 1.00 0.00 H new ATOM 0 HA THR A 56 -21.412 -12.746 6.313 1.00 0.00 H new ATOM 0 HB THR A 56 -18.605 -11.558 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.383 -13.791 6.498 1.00 0.00 H new ATOM 0 HG21 THR A 56 -18.904 -11.263 8.763 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.076 -10.309 7.824 1.00 0.00 H new ATOM 0 HG23 THR A 56 -20.588 -11.818 8.615 1.00 0.00 H new ATOM 575 N GLN A 57 -20.375 -10.253 4.361 1.00 0.00 N ATOM 576 CA GLN A 57 -20.664 -8.896 3.851 1.00 0.00 C ATOM 577 C GLN A 57 -21.961 -8.876 3.006 1.00 0.00 C ATOM 578 O GLN A 57 -22.640 -7.843 2.930 1.00 0.00 O ATOM 579 CB GLN A 57 -19.467 -8.367 3.015 1.00 0.00 C ATOM 580 CG GLN A 57 -18.096 -8.365 3.734 1.00 0.00 C ATOM 581 CD GLN A 57 -18.035 -7.528 5.011 1.00 0.00 C ATOM 582 OE1 GLN A 57 -18.720 -6.515 5.152 1.00 0.00 O ATOM 583 NE2 GLN A 57 -17.188 -7.938 5.946 1.00 0.00 N ATOM 0 H GLN A 57 -19.608 -10.718 3.875 1.00 0.00 H new ATOM 0 HA GLN A 57 -20.813 -8.241 4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.382 -8.972 2.112 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -19.691 -7.349 2.697 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.830 -9.393 3.979 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.340 -7.997 3.040 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.635 -8.782 5.798 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.090 -7.409 6.813 1.00 0.00 H new ATOM 592 N SER A 58 -22.305 -10.029 2.386 1.00 0.00 N ATOM 593 CA SER A 58 -23.539 -10.175 1.580 1.00 0.00 C ATOM 594 C SER A 58 -24.808 -10.258 2.464 1.00 0.00 C ATOM 595 O SER A 58 -25.923 -10.199 1.942 1.00 0.00 O ATOM 596 CB SER A 58 -23.436 -11.401 0.635 1.00 0.00 C ATOM 597 OG SER A 58 -23.201 -12.602 1.343 1.00 0.00 O ATOM 0 H SER A 58 -21.740 -10.877 2.430 1.00 0.00 H new ATOM 0 HA SER A 58 -23.636 -9.277 0.970 1.00 0.00 H new ATOM 0 HB2 SER A 58 -24.358 -11.494 0.061 1.00 0.00 H new ATOM 0 HB3 SER A 58 -22.630 -11.239 -0.081 1.00 0.00 H new ATOM 0 HG SER A 58 -22.992 -12.395 2.278 1.00 0.00 H new ATOM 603 N LEU A 59 -24.624 -10.408 3.800 1.00 0.00 N ATOM 604 CA LEU A 59 -25.735 -10.325 4.784 1.00 0.00 C ATOM 605 C LEU A 59 -26.244 -8.878 4.935 1.00 0.00 C ATOM 606 O LEU A 59 -27.336 -8.666 5.468 1.00 0.00 O ATOM 607 CB LEU A 59 -25.321 -10.906 6.179 1.00 0.00 C ATOM 608 CG LEU A 59 -25.648 -12.414 6.425 1.00 0.00 C ATOM 609 CD1 LEU A 59 -24.950 -13.338 5.412 1.00 0.00 C ATOM 610 CD2 LEU A 59 -25.311 -12.820 7.876 1.00 0.00 C ATOM 0 H LEU A 59 -23.713 -10.588 4.222 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.549 -10.937 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -24.248 -10.764 6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -25.813 -10.318 6.954 1.00 0.00 H new ATOM 0 HG LEU A 59 -26.720 -12.538 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -25.210 -14.375 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.275 -13.083 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -23.870 -13.211 5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -25.547 -13.874 8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -24.250 -12.657 8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.898 -12.217 8.568 1.00 0.00 H new ATOM 622 N THR A 60 -25.446 -7.900 4.488 1.00 0.00 N ATOM 623 CA THR A 60 -25.857 -6.494 4.462 1.00 0.00 C ATOM 624 C THR A 60 -26.574 -6.210 3.125 1.00 0.00 C ATOM 625 O THR A 60 -26.101 -6.646 2.076 1.00 0.00 O ATOM 626 CB THR A 60 -24.612 -5.553 4.624 1.00 0.00 C ATOM 627 OG1 THR A 60 -23.801 -6.000 5.725 1.00 0.00 O ATOM 628 CG2 THR A 60 -25.019 -4.087 4.870 1.00 0.00 C ATOM 0 H THR A 60 -24.502 -8.062 4.136 1.00 0.00 H new ATOM 0 HA THR A 60 -26.536 -6.298 5.292 1.00 0.00 H new ATOM 0 HB THR A 60 -24.051 -5.599 3.691 1.00 0.00 H new ATOM 0 HG1 THR A 60 -23.024 -5.410 5.820 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.124 -3.474 4.976 1.00 0.00 H new ATOM 0 HG22 THR A 60 -25.608 -3.727 4.027 1.00 0.00 H new ATOM 0 HG23 THR A 60 -25.613 -4.022 5.782 1.00 0.00 H new ATOM 636 N GLU A 61 -27.734 -5.530 3.176 1.00 0.00 N ATOM 637 CA GLU A 61 -28.446 -5.077 1.960 1.00 0.00 C ATOM 638 C GLU A 61 -27.717 -3.856 1.353 1.00 0.00 C ATOM 639 O GLU A 61 -27.711 -3.657 0.135 1.00 0.00 O ATOM 640 CB GLU A 61 -29.922 -4.722 2.287 1.00 0.00 C ATOM 641 CG GLU A 61 -30.783 -4.367 1.054 1.00 0.00 C ATOM 642 CD GLU A 61 -32.199 -3.898 1.420 1.00 0.00 C ATOM 643 OE1 GLU A 61 -33.066 -4.749 1.718 1.00 0.00 O ATOM 644 OE2 GLU A 61 -32.451 -2.674 1.427 1.00 0.00 O ATOM 0 H GLU A 61 -28.202 -5.280 4.047 1.00 0.00 H new ATOM 0 HA GLU A 61 -28.448 -5.888 1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.380 -5.566 2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -29.935 -3.880 2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -30.284 -3.584 0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -30.853 -5.239 0.404 1.00 0.00 H new ATOM 651 N ASN A 62 -27.099 -3.042 2.233 1.00 0.00 N ATOM 652 CA ASN A 62 -26.256 -1.900 1.840 1.00 0.00 C ATOM 653 C ASN A 62 -24.830 -2.392 1.526 1.00 0.00 C ATOM 654 O ASN A 62 -23.858 -2.045 2.214 1.00 0.00 O ATOM 655 CB ASN A 62 -26.244 -0.819 2.955 1.00 0.00 C ATOM 656 CG ASN A 62 -27.607 -0.169 3.182 1.00 0.00 C ATOM 657 OD1 ASN A 62 -28.398 -0.617 4.014 1.00 0.00 O ATOM 658 ND2 ASN A 62 -27.892 0.891 2.441 1.00 0.00 N ATOM 0 H ASN A 62 -27.173 -3.162 3.243 1.00 0.00 H new ATOM 0 HA ASN A 62 -26.671 -1.442 0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -25.906 -1.272 3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -25.520 -0.047 2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -28.790 1.363 2.550 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -27.214 1.235 1.761 1.00 0.00 H new ATOM 665 N SER A 63 -24.734 -3.237 0.492 1.00 0.00 N ATOM 666 CA SER A 63 -23.469 -3.804 0.023 1.00 0.00 C ATOM 667 C SER A 63 -23.522 -3.988 -1.499 1.00 0.00 C ATOM 668 O SER A 63 -24.606 -4.036 -2.100 1.00 0.00 O ATOM 669 CB SER A 63 -23.183 -5.163 0.722 1.00 0.00 C ATOM 670 OG SER A 63 -24.043 -6.192 0.258 1.00 0.00 O ATOM 0 H SER A 63 -25.543 -3.548 -0.046 1.00 0.00 H new ATOM 0 HA SER A 63 -22.660 -3.118 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 63 -22.146 -5.450 0.546 1.00 0.00 H new ATOM 0 HB3 SER A 63 -23.303 -5.049 1.799 1.00 0.00 H new ATOM 0 HG SER A 63 -24.759 -6.339 0.911 1.00 0.00 H new ATOM 676 N ILE A 64 -22.334 -4.099 -2.110 1.00 0.00 N ATOM 677 CA ILE A 64 -22.188 -4.480 -3.527 1.00 0.00 C ATOM 678 C ILE A 64 -22.612 -5.956 -3.744 1.00 0.00 C ATOM 679 O ILE A 64 -22.973 -6.352 -4.853 1.00 0.00 O ATOM 680 CB ILE A 64 -20.705 -4.289 -4.037 1.00 0.00 C ATOM 681 CG1 ILE A 64 -19.699 -5.108 -3.163 1.00 0.00 C ATOM 682 CG2 ILE A 64 -20.308 -2.793 -4.092 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.292 -5.201 -3.717 1.00 0.00 C ATOM 0 H ILE A 64 -21.446 -3.928 -1.638 1.00 0.00 H new ATOM 0 HA ILE A 64 -22.840 -3.821 -4.101 1.00 0.00 H new ATOM 0 HB ILE A 64 -20.658 -4.676 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -19.653 -4.657 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.090 -6.117 -3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -19.282 -2.702 -4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -20.976 -2.264 -4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -20.387 -2.359 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.672 -5.788 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.317 -5.682 -4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.873 -4.200 -3.816 1.00 0.00 H new ATOM 695 N LEU A 65 -22.566 -6.748 -2.650 1.00 0.00 N ATOM 696 CA LEU A 65 -22.816 -8.201 -2.668 1.00 0.00 C ATOM 697 C LEU A 65 -24.299 -8.541 -2.409 1.00 0.00 C ATOM 698 O LEU A 65 -24.648 -9.720 -2.331 1.00 0.00 O ATOM 699 CB LEU A 65 -21.924 -8.896 -1.610 1.00 0.00 C ATOM 700 CG LEU A 65 -20.397 -8.590 -1.674 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.625 -9.427 -0.639 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.832 -8.786 -3.098 1.00 0.00 C ATOM 0 H LEU A 65 -22.351 -6.389 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.567 -8.566 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.287 -8.615 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.060 -9.973 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.261 -7.538 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.562 -9.195 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.987 -9.192 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.778 -10.487 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.765 -8.563 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -19.987 -9.818 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.344 -8.116 -3.788 1.00 0.00 H new ATOM 714 N ALA A 66 -25.151 -7.505 -2.259 1.00 0.00 N ATOM 715 CA ALA A 66 -26.620 -7.677 -2.123 1.00 0.00 C ATOM 716 C ALA A 66 -27.225 -8.302 -3.401 1.00 0.00 C ATOM 717 O ALA A 66 -28.192 -9.072 -3.336 1.00 0.00 O ATOM 718 CB ALA A 66 -27.283 -6.327 -1.804 1.00 0.00 C ATOM 0 H ALA A 66 -24.847 -6.532 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.813 -8.362 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.360 -6.465 -1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -26.881 -5.936 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.079 -5.622 -2.610 1.00 0.00 H new ATOM 724 N GLN A 67 -26.625 -7.959 -4.561 1.00 0.00 N ATOM 725 CA GLN A 67 -26.992 -8.532 -5.876 1.00 0.00 C ATOM 726 C GLN A 67 -26.433 -9.970 -6.021 1.00 0.00 C ATOM 727 O GLN A 67 -27.018 -10.815 -6.711 1.00 0.00 O ATOM 728 CB GLN A 67 -26.455 -7.621 -7.022 1.00 0.00 C ATOM 729 CG GLN A 67 -24.916 -7.592 -7.154 1.00 0.00 C ATOM 730 CD GLN A 67 -24.399 -6.600 -8.196 1.00 0.00 C ATOM 731 OE1 GLN A 67 -24.274 -6.930 -9.379 1.00 0.00 O ATOM 732 NE2 GLN A 67 -24.062 -5.398 -7.762 1.00 0.00 N ATOM 0 H GLN A 67 -25.870 -7.275 -4.613 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.079 -8.581 -5.944 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -26.881 -7.959 -7.967 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -26.811 -6.604 -6.857 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.483 -7.343 -6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -24.565 -8.591 -7.413 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -24.179 -5.160 -6.777 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -23.685 -4.708 -8.412 1.00 0.00 H new ATOM 741 N PHE A 68 -25.288 -10.225 -5.351 1.00 0.00 N ATOM 742 CA PHE A 68 -24.572 -11.518 -5.384 1.00 0.00 C ATOM 743 C PHE A 68 -25.043 -12.460 -4.255 1.00 0.00 C ATOM 744 O PHE A 68 -24.525 -13.576 -4.124 1.00 0.00 O ATOM 745 CB PHE A 68 -23.040 -11.272 -5.268 1.00 0.00 C ATOM 746 CG PHE A 68 -22.419 -10.479 -6.429 1.00 0.00 C ATOM 747 CD1 PHE A 68 -22.565 -10.909 -7.749 1.00 0.00 C ATOM 748 CD2 PHE A 68 -21.668 -9.323 -6.198 1.00 0.00 C ATOM 749 CE1 PHE A 68 -21.988 -10.209 -8.796 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.092 -8.625 -7.246 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.253 -9.067 -8.543 1.00 0.00 C ATOM 0 H PHE A 68 -24.829 -9.528 -4.764 1.00 0.00 H new ATOM 0 HA PHE A 68 -24.796 -12.003 -6.334 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -22.842 -10.740 -4.338 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.537 -12.236 -5.197 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -23.137 -11.801 -7.957 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.535 -8.969 -5.186 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -22.113 -10.556 -9.811 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -20.516 -7.733 -7.048 1.00 0.00 H new ATOM 0 HZ PHE A 68 -20.805 -8.521 -9.360 1.00 0.00 H new ATOM 761 N ALA A 69 -26.027 -12.001 -3.449 1.00 0.00 N ATOM 762 CA ALA A 69 -26.604 -12.783 -2.334 1.00 0.00 C ATOM 763 C ALA A 69 -27.351 -14.034 -2.850 1.00 0.00 C ATOM 764 O ALA A 69 -27.479 -15.030 -2.130 1.00 0.00 O ATOM 765 CB ALA A 69 -27.535 -11.888 -1.500 1.00 0.00 C ATOM 0 H ALA A 69 -26.444 -11.076 -3.554 1.00 0.00 H new ATOM 0 HA ALA A 69 -25.790 -13.134 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.958 -12.468 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -26.968 -11.049 -1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.340 -11.512 -2.131 1.00 0.00 H new ATOM 771 N GLY A 70 -27.838 -13.970 -4.107 1.00 0.00 N ATOM 772 CA GLY A 70 -28.489 -15.111 -4.769 1.00 0.00 C ATOM 773 C GLY A 70 -27.584 -15.780 -5.800 1.00 0.00 C ATOM 774 O GLY A 70 -28.064 -16.334 -6.795 1.00 0.00 O ATOM 0 H GLY A 70 -27.790 -13.131 -4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.783 -15.844 -4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.402 -14.771 -5.257 1.00 0.00 H new ATOM 778 N GLU A 71 -26.266 -15.731 -5.544 1.00 0.00 N ATOM 779 CA GLU A 71 -25.227 -16.325 -6.406 1.00 0.00 C ATOM 780 C GLU A 71 -24.164 -16.990 -5.512 1.00 0.00 C ATOM 781 O GLU A 71 -24.028 -16.629 -4.333 1.00 0.00 O ATOM 782 CB GLU A 71 -24.606 -15.213 -7.320 1.00 0.00 C ATOM 783 CG GLU A 71 -23.506 -15.673 -8.309 1.00 0.00 C ATOM 784 CD GLU A 71 -23.972 -16.741 -9.315 1.00 0.00 C ATOM 785 OE1 GLU A 71 -24.578 -16.379 -10.345 1.00 0.00 O ATOM 786 OE2 GLU A 71 -23.756 -17.950 -9.070 1.00 0.00 O ATOM 0 H GLU A 71 -25.885 -15.270 -4.718 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.655 -17.087 -7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.411 -14.752 -7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.187 -14.437 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -23.141 -14.806 -8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.664 -16.067 -7.741 1.00 0.00 H new ATOM 793 N ASP A 72 -23.459 -18.001 -6.064 1.00 0.00 N ATOM 794 CA ASP A 72 -22.337 -18.682 -5.380 1.00 0.00 C ATOM 795 C ASP A 72 -21.230 -17.661 -5.050 1.00 0.00 C ATOM 796 O ASP A 72 -20.843 -16.921 -5.941 1.00 0.00 O ATOM 797 CB ASP A 72 -21.758 -19.804 -6.284 1.00 0.00 C ATOM 798 CG ASP A 72 -20.571 -20.543 -5.641 1.00 0.00 C ATOM 799 OD1 ASP A 72 -20.810 -21.485 -4.855 1.00 0.00 O ATOM 800 OD2 ASP A 72 -19.403 -20.172 -5.893 1.00 0.00 O ATOM 0 H ASP A 72 -23.651 -18.368 -6.996 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.707 -19.127 -4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -22.546 -20.522 -6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.439 -19.371 -7.232 1.00 0.00 H new ATOM 805 N PRO A 73 -20.691 -17.629 -3.784 1.00 0.00 N ATOM 806 CA PRO A 73 -19.714 -16.596 -3.339 1.00 0.00 C ATOM 807 C PRO A 73 -18.414 -16.535 -4.190 1.00 0.00 C ATOM 808 O PRO A 73 -17.891 -15.445 -4.432 1.00 0.00 O ATOM 809 CB PRO A 73 -19.418 -16.993 -1.861 1.00 0.00 C ATOM 810 CG PRO A 73 -19.815 -18.437 -1.766 1.00 0.00 C ATOM 811 CD PRO A 73 -21.006 -18.579 -2.679 1.00 0.00 C ATOM 0 HA PRO A 73 -20.123 -15.592 -3.452 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.364 -16.855 -1.618 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.989 -16.379 -1.164 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.000 -19.091 -2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.069 -18.709 -0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -21.117 -19.600 -3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.936 -18.318 -2.174 1.00 0.00 H new ATOM 819 N VAL A 74 -17.910 -17.704 -4.644 1.00 0.00 N ATOM 820 CA VAL A 74 -16.648 -17.790 -5.425 1.00 0.00 C ATOM 821 C VAL A 74 -16.873 -17.293 -6.870 1.00 0.00 C ATOM 822 O VAL A 74 -16.083 -16.504 -7.402 1.00 0.00 O ATOM 823 CB VAL A 74 -16.064 -19.257 -5.434 1.00 0.00 C ATOM 824 CG1 VAL A 74 -14.706 -19.326 -6.183 1.00 0.00 C ATOM 825 CG2 VAL A 74 -15.933 -19.811 -3.989 1.00 0.00 C ATOM 0 H VAL A 74 -18.357 -18.607 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.916 -17.146 -4.938 1.00 0.00 H new ATOM 0 HB VAL A 74 -16.768 -19.888 -5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.334 -20.351 -6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.843 -19.004 -7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -13.986 -18.672 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.529 -20.823 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.264 -19.172 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.915 -19.828 -3.516 1.00 0.00 H new ATOM 835 N VAL A 75 -17.980 -17.763 -7.472 1.00 0.00 N ATOM 836 CA VAL A 75 -18.391 -17.389 -8.845 1.00 0.00 C ATOM 837 C VAL A 75 -18.772 -15.886 -8.913 1.00 0.00 C ATOM 838 O VAL A 75 -18.479 -15.193 -9.899 1.00 0.00 O ATOM 839 CB VAL A 75 -19.588 -18.298 -9.331 1.00 0.00 C ATOM 840 CG1 VAL A 75 -20.084 -17.902 -10.744 1.00 0.00 C ATOM 841 CG2 VAL A 75 -19.184 -19.798 -9.286 1.00 0.00 C ATOM 0 H VAL A 75 -18.620 -18.416 -7.021 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.547 -17.552 -9.515 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.420 -18.138 -8.645 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -20.907 -18.554 -11.037 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.427 -16.867 -10.733 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.267 -18.006 -11.459 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.020 -20.410 -9.624 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -18.326 -19.963 -9.938 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -18.922 -20.074 -8.265 1.00 0.00 H new ATOM 851 N ALA A 76 -19.382 -15.405 -7.827 1.00 0.00 N ATOM 852 CA ALA A 76 -19.791 -13.998 -7.660 1.00 0.00 C ATOM 853 C ALA A 76 -18.566 -13.096 -7.501 1.00 0.00 C ATOM 854 O ALA A 76 -18.571 -11.949 -7.953 1.00 0.00 O ATOM 855 CB ALA A 76 -20.714 -13.857 -6.443 1.00 0.00 C ATOM 0 H ALA A 76 -19.612 -15.988 -7.022 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.334 -13.688 -8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.010 -12.814 -6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.602 -14.472 -6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.187 -14.184 -5.547 1.00 0.00 H new ATOM 861 N LEU A 77 -17.531 -13.638 -6.839 1.00 0.00 N ATOM 862 CA LEU A 77 -16.247 -12.957 -6.630 1.00 0.00 C ATOM 863 C LEU A 77 -15.518 -12.752 -7.977 1.00 0.00 C ATOM 864 O LEU A 77 -14.919 -11.701 -8.198 1.00 0.00 O ATOM 865 CB LEU A 77 -15.385 -13.774 -5.636 1.00 0.00 C ATOM 866 CG LEU A 77 -14.013 -13.161 -5.209 1.00 0.00 C ATOM 867 CD1 LEU A 77 -14.173 -11.836 -4.441 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.207 -14.179 -4.388 1.00 0.00 C ATOM 0 H LEU A 77 -17.565 -14.572 -6.430 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.424 -11.970 -6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.975 -13.941 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.195 -14.752 -6.078 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.464 -12.927 -6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.190 -11.453 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.683 -11.109 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -14.759 -12.007 -3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.253 -13.738 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.768 -14.452 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.027 -15.070 -4.989 1.00 0.00 H new ATOM 880 N GLU A 78 -15.604 -13.762 -8.882 1.00 0.00 N ATOM 881 CA GLU A 78 -15.055 -13.657 -10.261 1.00 0.00 C ATOM 882 C GLU A 78 -15.708 -12.473 -11.001 1.00 0.00 C ATOM 883 O GLU A 78 -15.018 -11.617 -11.567 1.00 0.00 O ATOM 884 CB GLU A 78 -15.305 -14.956 -11.071 1.00 0.00 C ATOM 885 CG GLU A 78 -14.692 -16.234 -10.478 1.00 0.00 C ATOM 886 CD GLU A 78 -14.973 -17.469 -11.347 1.00 0.00 C ATOM 887 OE1 GLU A 78 -16.102 -17.998 -11.292 1.00 0.00 O ATOM 888 OE2 GLU A 78 -14.087 -17.885 -12.127 1.00 0.00 O ATOM 0 H GLU A 78 -16.048 -14.658 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.980 -13.499 -10.176 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.381 -15.101 -11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.910 -14.818 -12.077 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.615 -16.103 -10.373 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.093 -16.397 -9.478 1.00 0.00 H new ATOM 895 N ALA A 79 -17.055 -12.439 -10.956 1.00 0.00 N ATOM 896 CA ALA A 79 -17.875 -11.379 -11.578 1.00 0.00 C ATOM 897 C ALA A 79 -17.576 -10.006 -10.945 1.00 0.00 C ATOM 898 O ALA A 79 -17.579 -8.982 -11.629 1.00 0.00 O ATOM 899 CB ALA A 79 -19.370 -11.724 -11.441 1.00 0.00 C ATOM 0 H ALA A 79 -17.609 -13.153 -10.483 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.620 -11.321 -12.636 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.968 -10.938 -11.902 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.572 -12.673 -11.939 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.629 -11.806 -10.385 1.00 0.00 H new ATOM 905 N ALA A 80 -17.280 -10.025 -9.638 1.00 0.00 N ATOM 906 CA ALA A 80 -16.989 -8.824 -8.850 1.00 0.00 C ATOM 907 C ALA A 80 -15.592 -8.257 -9.178 1.00 0.00 C ATOM 908 O ALA A 80 -15.371 -7.059 -9.057 1.00 0.00 O ATOM 909 CB ALA A 80 -17.132 -9.127 -7.354 1.00 0.00 C ATOM 0 H ALA A 80 -17.236 -10.886 -9.094 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.715 -8.056 -9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -16.913 -8.228 -6.778 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.151 -9.453 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.434 -9.916 -7.074 1.00 0.00 H new ATOM 915 N LEU A 81 -14.650 -9.126 -9.590 1.00 0.00 N ATOM 916 CA LEU A 81 -13.324 -8.682 -10.090 1.00 0.00 C ATOM 917 C LEU A 81 -13.446 -8.026 -11.484 1.00 0.00 C ATOM 918 O LEU A 81 -12.646 -7.153 -11.836 1.00 0.00 O ATOM 919 CB LEU A 81 -12.285 -9.863 -10.128 1.00 0.00 C ATOM 920 CG LEU A 81 -11.345 -10.003 -8.890 1.00 0.00 C ATOM 921 CD1 LEU A 81 -10.582 -8.685 -8.623 1.00 0.00 C ATOM 922 CD2 LEU A 81 -12.106 -10.491 -7.642 1.00 0.00 C ATOM 0 H LEU A 81 -14.777 -10.138 -9.589 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.952 -7.936 -9.387 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.834 -10.797 -10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.664 -9.743 -11.016 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.606 -10.770 -9.122 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.934 -8.809 -7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.978 -8.432 -9.494 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.296 -7.884 -8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.414 -10.575 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.893 -9.778 -7.394 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.550 -11.466 -7.845 1.00 0.00 H new ATOM 934 N GLN A 82 -14.452 -8.458 -12.258 1.00 0.00 N ATOM 935 CA GLN A 82 -14.652 -8.022 -13.652 1.00 0.00 C ATOM 936 C GLN A 82 -15.554 -6.777 -13.736 1.00 0.00 C ATOM 937 O GLN A 82 -15.465 -6.015 -14.707 1.00 0.00 O ATOM 938 CB GLN A 82 -15.251 -9.197 -14.471 1.00 0.00 C ATOM 939 CG GLN A 82 -14.342 -10.444 -14.518 1.00 0.00 C ATOM 940 CD GLN A 82 -14.979 -11.642 -15.228 1.00 0.00 C ATOM 941 OE1 GLN A 82 -14.826 -11.826 -16.435 1.00 0.00 O ATOM 942 NE2 GLN A 82 -15.708 -12.456 -14.480 1.00 0.00 N ATOM 0 H GLN A 82 -15.155 -9.123 -11.935 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.686 -7.740 -14.072 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -16.213 -9.475 -14.041 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.443 -8.859 -15.489 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -13.411 -10.186 -15.023 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -14.082 -10.732 -13.499 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -15.814 -12.274 -13.482 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.164 -13.265 -14.902 1.00 0.00 H new ATOM 951 N PHE A 83 -16.419 -6.569 -12.725 1.00 0.00 N ATOM 952 CA PHE A 83 -17.387 -5.444 -12.718 1.00 0.00 C ATOM 953 C PHE A 83 -16.778 -4.207 -12.016 1.00 0.00 C ATOM 954 O PHE A 83 -16.214 -4.322 -10.931 1.00 0.00 O ATOM 955 CB PHE A 83 -18.713 -5.880 -12.048 1.00 0.00 C ATOM 956 CG PHE A 83 -19.873 -4.902 -12.254 1.00 0.00 C ATOM 957 CD1 PHE A 83 -20.446 -4.746 -13.518 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.384 -4.145 -11.203 1.00 0.00 C ATOM 959 CE1 PHE A 83 -21.495 -3.868 -13.720 1.00 0.00 C ATOM 960 CE2 PHE A 83 -21.434 -3.268 -11.408 1.00 0.00 C ATOM 961 CZ PHE A 83 -21.989 -3.129 -12.665 1.00 0.00 C ATOM 0 H PHE A 83 -16.471 -7.164 -11.898 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.608 -5.164 -13.748 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.001 -6.855 -12.440 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.543 -6.004 -10.979 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -20.064 -5.319 -14.350 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -19.956 -4.244 -10.216 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -21.928 -3.761 -14.704 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -21.821 -2.690 -10.582 1.00 0.00 H new ATOM 0 HZ PHE A 83 -22.808 -2.443 -12.822 1.00 0.00 H new ATOM 971 N GLU A 84 -16.936 -3.030 -12.653 1.00 0.00 N ATOM 972 CA GLU A 84 -16.228 -1.770 -12.303 1.00 0.00 C ATOM 973 C GLU A 84 -16.557 -1.237 -10.891 1.00 0.00 C ATOM 974 O GLU A 84 -15.673 -0.714 -10.194 1.00 0.00 O ATOM 975 CB GLU A 84 -16.545 -0.695 -13.376 1.00 0.00 C ATOM 976 CG GLU A 84 -18.054 -0.414 -13.571 1.00 0.00 C ATOM 977 CD GLU A 84 -18.344 0.549 -14.729 1.00 0.00 C ATOM 978 OE1 GLU A 84 -18.314 0.111 -15.896 1.00 0.00 O ATOM 979 OE2 GLU A 84 -18.604 1.746 -14.483 1.00 0.00 O ATOM 0 H GLU A 84 -17.572 -2.920 -13.443 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.162 -1.997 -12.288 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.047 0.235 -13.100 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.121 -1.013 -14.328 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.572 -1.356 -13.752 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -18.462 0.002 -12.650 1.00 0.00 H new ATOM 986 N ASP A 85 -17.820 -1.392 -10.482 1.00 0.00 N ATOM 987 CA ASP A 85 -18.325 -0.877 -9.190 1.00 0.00 C ATOM 988 C ASP A 85 -17.819 -1.730 -8.011 1.00 0.00 C ATOM 989 O ASP A 85 -17.673 -1.240 -6.887 1.00 0.00 O ATOM 990 CB ASP A 85 -19.878 -0.856 -9.219 1.00 0.00 C ATOM 991 CG ASP A 85 -20.522 -0.277 -7.941 1.00 0.00 C ATOM 992 OD1 ASP A 85 -20.659 0.961 -7.842 1.00 0.00 O ATOM 993 OD2 ASP A 85 -20.920 -1.054 -7.041 1.00 0.00 O ATOM 0 H ASP A 85 -18.528 -1.878 -11.033 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.949 0.136 -9.046 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -20.207 -0.270 -10.077 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -20.242 -1.872 -9.369 1.00 0.00 H new ATOM 998 N THR A 86 -17.546 -3.004 -8.303 1.00 0.00 N ATOM 999 CA THR A 86 -17.259 -4.025 -7.294 1.00 0.00 C ATOM 1000 C THR A 86 -15.741 -4.326 -7.165 1.00 0.00 C ATOM 1001 O THR A 86 -15.272 -4.649 -6.062 1.00 0.00 O ATOM 1002 CB THR A 86 -18.056 -5.319 -7.653 1.00 0.00 C ATOM 1003 OG1 THR A 86 -17.767 -5.693 -8.998 1.00 0.00 O ATOM 1004 CG2 THR A 86 -19.579 -5.119 -7.523 1.00 0.00 C ATOM 0 H THR A 86 -17.518 -3.359 -9.259 1.00 0.00 H new ATOM 0 HA THR A 86 -17.574 -3.647 -6.321 1.00 0.00 H new ATOM 0 HB THR A 86 -17.750 -6.095 -6.952 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.861 -6.063 -9.047 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.091 -6.045 -7.783 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.824 -4.844 -6.497 1.00 0.00 H new ATOM 0 HG23 THR A 86 -19.901 -4.325 -8.197 1.00 0.00 H new ATOM 1012 N ARG A 87 -14.983 -4.191 -8.286 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.531 -4.554 -8.359 1.00 0.00 C ATOM 1014 C ARG A 87 -12.675 -3.750 -7.364 1.00 0.00 C ATOM 1015 O ARG A 87 -11.670 -4.247 -6.840 1.00 0.00 O ATOM 1016 CB ARG A 87 -12.993 -4.435 -9.828 1.00 0.00 C ATOM 1017 CG ARG A 87 -13.246 -3.075 -10.547 1.00 0.00 C ATOM 1018 CD ARG A 87 -12.245 -1.953 -10.191 1.00 0.00 C ATOM 1019 NE ARG A 87 -12.696 -0.637 -10.696 1.00 0.00 N ATOM 1020 CZ ARG A 87 -12.001 0.512 -10.608 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -10.788 0.549 -10.070 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -12.538 1.635 -11.052 1.00 0.00 N ATOM 0 H ARG A 87 -15.354 -3.829 -9.164 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.444 -5.598 -8.059 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.919 -4.621 -9.815 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.447 -5.227 -10.424 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.217 -3.239 -11.624 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.252 -2.734 -10.304 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -12.122 -1.905 -9.109 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.268 -2.189 -10.613 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.609 -0.598 -11.148 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.363 -0.306 -9.712 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.281 1.433 -10.015 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.474 1.627 -11.458 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.017 2.510 -10.988 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.106 -2.506 -7.111 1.00 0.00 N ATOM 1037 CA GLU A 88 -12.448 -1.592 -6.169 1.00 0.00 C ATOM 1038 C GLU A 88 -12.528 -2.150 -4.727 1.00 0.00 C ATOM 1039 O GLU A 88 -11.527 -2.181 -4.002 1.00 0.00 O ATOM 1040 CB GLU A 88 -13.090 -0.180 -6.282 1.00 0.00 C ATOM 1041 CG GLU A 88 -14.630 -0.173 -6.206 1.00 0.00 C ATOM 1042 CD GLU A 88 -15.235 1.235 -6.217 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -15.411 1.809 -7.310 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -15.531 1.780 -5.129 1.00 0.00 O ATOM 0 H GLU A 88 -13.929 -2.103 -7.559 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.391 -1.505 -6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.696 0.450 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.783 0.271 -7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.030 -0.739 -7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.944 -0.688 -5.298 1.00 0.00 H new ATOM 1051 N SER A 89 -13.715 -2.664 -4.362 1.00 0.00 N ATOM 1052 CA SER A 89 -14.001 -3.177 -3.011 1.00 0.00 C ATOM 1053 C SER A 89 -13.410 -4.590 -2.801 1.00 0.00 C ATOM 1054 O SER A 89 -13.282 -5.042 -1.661 1.00 0.00 O ATOM 1055 CB SER A 89 -15.521 -3.182 -2.780 1.00 0.00 C ATOM 1056 OG SER A 89 -15.857 -3.585 -1.460 1.00 0.00 O ATOM 0 H SER A 89 -14.508 -2.736 -5.000 1.00 0.00 H new ATOM 0 HA SER A 89 -13.525 -2.520 -2.283 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.919 -2.185 -2.967 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.994 -3.854 -3.496 1.00 0.00 H new ATOM 0 HG SER A 89 -16.831 -3.574 -1.352 1.00 0.00 H new ATOM 1062 N MET A 90 -13.053 -5.279 -3.910 1.00 0.00 N ATOM 1063 CA MET A 90 -12.392 -6.613 -3.866 1.00 0.00 C ATOM 1064 C MET A 90 -11.032 -6.548 -3.141 1.00 0.00 C ATOM 1065 O MET A 90 -10.601 -7.528 -2.529 1.00 0.00 O ATOM 1066 CB MET A 90 -12.213 -7.178 -5.296 1.00 0.00 C ATOM 1067 CG MET A 90 -13.520 -7.460 -6.051 1.00 0.00 C ATOM 1068 SD MET A 90 -14.501 -8.785 -5.309 1.00 0.00 S ATOM 1069 CE MET A 90 -15.682 -7.920 -4.275 1.00 0.00 C ATOM 0 H MET A 90 -13.212 -4.933 -4.856 1.00 0.00 H new ATOM 0 HA MET A 90 -13.040 -7.283 -3.301 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.620 -6.472 -5.878 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.639 -8.103 -5.236 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.117 -6.549 -6.083 1.00 0.00 H new ATOM 0 HG3 MET A 90 -13.286 -7.724 -7.082 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.340 -8.642 -3.791 1.00 0.00 H new ATOM 0 HE2 MET A 90 -15.150 -7.348 -3.515 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.276 -7.243 -4.889 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.390 -5.368 -3.197 1.00 0.00 N ATOM 1080 CA HIS A 91 -9.108 -5.098 -2.509 1.00 0.00 C ATOM 1081 C HIS A 91 -9.266 -5.170 -0.970 1.00 0.00 C ATOM 1082 O HIS A 91 -8.300 -5.463 -0.263 1.00 0.00 O ATOM 1083 CB HIS A 91 -8.536 -3.716 -2.944 1.00 0.00 C ATOM 1084 CG HIS A 91 -8.041 -3.674 -4.372 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -6.753 -3.317 -4.714 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -8.668 -3.948 -5.546 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -6.611 -3.373 -6.025 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -7.755 -3.755 -6.553 1.00 0.00 N ATOM 0 H HIS A 91 -10.745 -4.569 -3.722 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.400 -5.873 -2.803 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.309 -2.958 -2.817 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.715 -3.449 -2.278 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.695 -4.260 -5.665 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.709 -3.144 -6.572 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -7.934 -3.886 -7.549 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.496 -4.922 -0.477 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.841 -5.038 0.960 1.00 0.00 C ATOM 1099 C ALA A 92 -10.979 -6.520 1.392 1.00 0.00 C ATOM 1100 O ALA A 92 -10.818 -6.842 2.567 1.00 0.00 O ATOM 1101 CB ALA A 92 -12.136 -4.261 1.265 1.00 0.00 C ATOM 0 H ALA A 92 -11.281 -4.635 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.026 -4.601 1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -12.376 -4.356 2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.996 -3.209 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.953 -4.668 0.670 1.00 0.00 H new ATOM 1107 N PHE A 93 -11.307 -7.406 0.430 1.00 0.00 N ATOM 1108 CA PHE A 93 -11.404 -8.870 0.663 1.00 0.00 C ATOM 1109 C PHE A 93 -10.038 -9.555 0.499 1.00 0.00 C ATOM 1110 O PHE A 93 -9.841 -10.676 0.989 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.423 -9.504 -0.319 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.845 -9.005 -0.115 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -14.673 -9.603 0.823 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.342 -7.924 -0.838 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.951 -9.143 1.025 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.628 -7.462 -0.628 1.00 0.00 C ATOM 1117 CZ PHE A 93 -16.429 -8.075 0.304 1.00 0.00 C ATOM 0 H PHE A 93 -11.513 -7.132 -0.531 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.743 -9.020 1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -12.113 -9.289 -1.342 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.405 -10.587 -0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -14.309 -10.440 1.401 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -13.715 -7.440 -1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -16.585 -9.624 1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.001 -6.622 -1.195 1.00 0.00 H new ATOM 0 HZ PHE A 93 -17.435 -7.718 0.470 1.00 0.00 H new ATOM 1127 N CYS A 94 -9.117 -8.876 -0.219 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.783 -9.405 -0.525 1.00 0.00 C ATOM 1129 C CYS A 94 -6.938 -9.531 0.758 1.00 0.00 C ATOM 1130 O CYS A 94 -6.377 -8.544 1.247 1.00 0.00 O ATOM 1131 CB CYS A 94 -7.076 -8.520 -1.575 1.00 0.00 C ATOM 1132 SG CYS A 94 -5.491 -9.178 -2.126 1.00 0.00 S ATOM 0 H CYS A 94 -9.284 -7.945 -0.600 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.896 -10.403 -0.948 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -7.731 -8.402 -2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -6.921 -7.526 -1.155 1.00 0.00 H new ATOM 0 HG CYS A 94 -5.321 -10.369 -1.634 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.899 -10.757 1.312 1.00 0.00 N ATOM 1139 CA VAL A 95 -6.108 -11.093 2.518 1.00 0.00 C ATOM 1140 C VAL A 95 -4.598 -11.192 2.194 1.00 0.00 C ATOM 1141 O VAL A 95 -3.772 -11.292 3.100 1.00 0.00 O ATOM 1142 CB VAL A 95 -6.615 -12.431 3.180 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -8.076 -12.286 3.679 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -6.478 -13.631 2.209 1.00 0.00 C ATOM 0 H VAL A 95 -7.418 -11.550 0.935 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.250 -10.282 3.232 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.981 -12.631 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.401 -13.223 4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.130 -11.488 4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.726 -12.045 2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.836 -14.537 2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.070 -13.443 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.431 -13.758 1.933 1.00 0.00 H new ATOM 1154 N GLY A 96 -4.262 -11.187 0.893 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.874 -11.147 0.437 1.00 0.00 C ATOM 1156 C GLY A 96 -2.765 -11.415 -1.056 1.00 0.00 C ATOM 1157 O GLY A 96 -3.771 -11.679 -1.718 1.00 0.00 O ATOM 0 H GLY A 96 -4.945 -11.211 0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.444 -10.171 0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.290 -11.888 0.983 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.540 -11.312 -1.591 1.00 0.00 N ATOM 1162 CA GLN A 97 -1.224 -11.709 -2.974 1.00 0.00 C ATOM 1163 C GLN A 97 -1.033 -13.227 -3.046 1.00 0.00 C ATOM 1164 O GLN A 97 -0.856 -13.882 -2.017 1.00 0.00 O ATOM 1165 CB GLN A 97 0.067 -11.005 -3.479 1.00 0.00 C ATOM 1166 CG GLN A 97 0.029 -9.472 -3.402 1.00 0.00 C ATOM 1167 CD GLN A 97 1.176 -8.760 -4.137 1.00 0.00 C ATOM 1168 OE1 GLN A 97 1.597 -7.674 -3.740 1.00 0.00 O ATOM 1169 NE2 GLN A 97 1.668 -9.329 -5.229 1.00 0.00 N ATOM 0 H GLN A 97 -0.737 -10.950 -1.077 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.056 -11.407 -3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.914 -11.364 -2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.245 -11.300 -4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.918 -9.125 -3.814 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.048 -9.174 -2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.306 -10.230 -5.542 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.409 -8.866 -5.756 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.079 -13.780 -4.260 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.814 -15.206 -4.495 1.00 0.00 C ATOM 1180 C TYR A 98 0.406 -15.366 -5.409 1.00 0.00 C ATOM 1181 O TYR A 98 0.633 -14.548 -6.308 1.00 0.00 O ATOM 1182 CB TYR A 98 -2.048 -15.899 -5.122 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.887 -17.428 -5.271 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -2.042 -18.274 -4.172 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.571 -18.011 -6.500 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -1.884 -19.635 -4.298 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -1.419 -19.371 -6.621 1.00 0.00 C ATOM 1188 CZ TYR A 98 -1.575 -20.175 -5.527 1.00 0.00 C ATOM 1189 OH TYR A 98 -1.408 -21.531 -5.660 1.00 0.00 O ATOM 0 H TYR A 98 -1.300 -13.256 -5.107 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.607 -15.683 -3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.923 -15.692 -4.506 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.239 -15.465 -6.103 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.290 -17.854 -3.208 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.444 -17.383 -7.369 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.002 -20.277 -3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.176 -19.804 -7.580 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.195 -21.744 -6.592 1.00 0.00 H new ATOM 1199 N LEU A 99 1.165 -16.441 -5.174 1.00 0.00 N ATOM 1200 CA LEU A 99 2.297 -16.844 -6.005 1.00 0.00 C ATOM 1201 C LEU A 99 2.287 -18.388 -6.071 1.00 0.00 C ATOM 1202 O LEU A 99 2.245 -19.054 -5.024 1.00 0.00 O ATOM 1203 CB LEU A 99 3.623 -16.277 -5.390 1.00 0.00 C ATOM 1204 CG LEU A 99 4.808 -15.977 -6.381 1.00 0.00 C ATOM 1205 CD1 LEU A 99 5.316 -17.229 -7.121 1.00 0.00 C ATOM 1206 CD2 LEU A 99 4.421 -14.856 -7.375 1.00 0.00 C ATOM 0 H LEU A 99 1.004 -17.066 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 99 2.226 -16.446 -7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.382 -15.354 -4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.979 -16.987 -4.644 1.00 0.00 H new ATOM 0 HG LEU A 99 5.642 -15.631 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.132 -16.951 -7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.672 -17.961 -6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.503 -17.662 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.255 -14.665 -8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.550 -15.166 -7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.185 -13.946 -6.823 1.00 0.00 H new ATOM 1218 N GLU A 100 2.286 -18.940 -7.301 1.00 0.00 N ATOM 1219 CA GLU A 100 2.304 -20.392 -7.531 1.00 0.00 C ATOM 1220 C GLU A 100 3.674 -20.986 -7.131 1.00 0.00 C ATOM 1221 O GLU A 100 4.710 -20.374 -7.414 1.00 0.00 O ATOM 1222 CB GLU A 100 2.017 -20.726 -9.030 1.00 0.00 C ATOM 1223 CG GLU A 100 0.594 -20.400 -9.546 1.00 0.00 C ATOM 1224 CD GLU A 100 0.300 -18.896 -9.780 1.00 0.00 C ATOM 1225 OE1 GLU A 100 1.248 -18.098 -9.986 1.00 0.00 O ATOM 1226 OE2 GLU A 100 -0.890 -18.516 -9.784 1.00 0.00 O ATOM 0 H GLU A 100 2.273 -18.389 -8.160 1.00 0.00 H new ATOM 0 HA GLU A 100 1.521 -20.834 -6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 100 2.736 -20.185 -9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 100 2.202 -21.789 -9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.434 -20.934 -10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.131 -20.788 -8.831 1.00 0.00 H new ATOM 1233 N PRO A 101 3.698 -22.180 -6.444 1.00 0.00 N ATOM 1234 CA PRO A 101 4.947 -22.956 -6.217 1.00 0.00 C ATOM 1235 C PRO A 101 5.726 -23.198 -7.531 1.00 0.00 C ATOM 1236 O PRO A 101 6.958 -23.062 -7.590 1.00 0.00 O ATOM 1237 CB PRO A 101 4.432 -24.285 -5.618 1.00 0.00 C ATOM 1238 CG PRO A 101 3.146 -23.923 -4.948 1.00 0.00 C ATOM 1239 CD PRO A 101 2.528 -22.826 -5.789 1.00 0.00 C ATOM 0 HA PRO A 101 5.652 -22.435 -5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.278 -25.036 -6.393 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.145 -24.702 -4.907 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.483 -24.786 -4.885 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.321 -23.580 -3.928 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.831 -23.229 -6.523 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.971 -22.118 -5.176 1.00 0.00 H new ATOM 1247 N ASP A 102 4.953 -23.539 -8.573 1.00 0.00 N ATOM 1248 CA ASP A 102 5.452 -23.764 -9.945 1.00 0.00 C ATOM 1249 C ASP A 102 6.145 -22.501 -10.488 1.00 0.00 C ATOM 1250 O ASP A 102 7.302 -22.550 -10.909 1.00 0.00 O ATOM 1251 CB ASP A 102 4.270 -24.173 -10.870 1.00 0.00 C ATOM 1252 CG ASP A 102 4.703 -24.512 -12.303 1.00 0.00 C ATOM 1253 OD1 ASP A 102 5.085 -25.673 -12.552 1.00 0.00 O ATOM 1254 OD2 ASP A 102 4.649 -23.627 -13.188 1.00 0.00 O ATOM 0 H ASP A 102 3.945 -23.669 -8.488 1.00 0.00 H new ATOM 0 HA ASP A 102 6.186 -24.569 -9.924 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.763 -25.036 -10.438 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.545 -23.360 -10.901 1.00 0.00 H new ATOM 1259 N GLN A 103 5.413 -21.372 -10.403 1.00 0.00 N ATOM 1260 CA GLN A 103 5.860 -20.047 -10.890 1.00 0.00 C ATOM 1261 C GLN A 103 7.165 -19.614 -10.192 1.00 0.00 C ATOM 1262 O GLN A 103 8.038 -18.993 -10.810 1.00 0.00 O ATOM 1263 CB GLN A 103 4.745 -18.991 -10.620 1.00 0.00 C ATOM 1264 CG GLN A 103 5.013 -17.580 -11.186 1.00 0.00 C ATOM 1265 CD GLN A 103 5.033 -17.531 -12.719 1.00 0.00 C ATOM 1266 OE1 GLN A 103 4.301 -18.256 -13.388 1.00 0.00 O ATOM 1267 NE2 GLN A 103 5.877 -16.684 -13.285 1.00 0.00 N ATOM 0 H GLN A 103 4.481 -21.352 -9.989 1.00 0.00 H new ATOM 0 HA GLN A 103 6.051 -20.118 -11.961 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.810 -19.360 -11.041 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.600 -18.910 -9.543 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.247 -16.898 -10.818 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.969 -17.220 -10.806 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.473 -16.094 -12.705 1.00 0.00 H new ATOM 0 HE22 GLN A 103 5.932 -16.621 -14.302 1.00 0.00 H new