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 39:sc= 0.137 USER MOD Single : A 33 ASN : amide:sc= 0.68 K(o=0.68,f=0) USER MOD Single : A 34 HIS : no HE2:sc= 0.27 K(o=0.27,f=-1.8!) USER MOD Single : A 35 ASN : amide:sc= -0.0647 K(o=-0.065,f=-0.59) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 130:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -138:sc= 0.714 (180deg=-0.0923) USER MOD Single : A 49 TYR OH : rot 180:sc=-0.00738 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.548 K(o=-0.55,f=-4.2!) USER MOD Single : A 56 THR OG1 : rot 83:sc= 1.19 USER MOD Single : A 57 GLN : amide:sc= 0.026 K(o=0.026,f=-0.5) USER MOD Single : A 58 SER OG : rot 63:sc= 0.505 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0.145 USER MOD Single : A 67 GLN : amide:sc= 0.0487 X(o=0.049,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 86 THR OG1 : rot 56:sc= -1.65! USER MOD Single : A 89 SER OG : rot -70:sc= 0.516 USER MOD Single : A 90 MET CE :methyl 177:sc= -1.69 (180deg=-1.7) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 94 CYS SG : rot 6:sc=-0.00795 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.019 USER MOD Single : A 103 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 0.892 -9.507 0.293 1.00 0.00 N ATOM 55 CA THR A 24 1.245 -10.653 1.140 1.00 0.00 C ATOM 56 C THR A 24 1.261 -11.943 0.306 1.00 0.00 C ATOM 57 O THR A 24 0.238 -12.329 -0.258 1.00 0.00 O ATOM 58 CB THR A 24 0.230 -10.788 2.325 1.00 0.00 C ATOM 59 OG1 THR A 24 0.154 -9.542 3.036 1.00 0.00 O ATOM 60 CG2 THR A 24 0.607 -11.904 3.310 1.00 0.00 C ATOM 0 HA THR A 24 2.241 -10.488 1.552 1.00 0.00 H new ATOM 0 HB THR A 24 -0.735 -11.048 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.195 -8.799 2.399 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.133 -11.949 4.109 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.633 -12.859 2.785 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.589 -11.697 3.736 1.00 0.00 H new ATOM 68 N LEU A 25 2.428 -12.600 0.221 1.00 0.00 N ATOM 69 CA LEU A 25 2.559 -13.842 -0.546 1.00 0.00 C ATOM 70 C LEU A 25 1.984 -15.015 0.267 1.00 0.00 C ATOM 71 O LEU A 25 2.623 -15.534 1.183 1.00 0.00 O ATOM 72 CB LEU A 25 4.044 -14.082 -0.938 1.00 0.00 C ATOM 73 CG LEU A 25 4.655 -13.023 -1.916 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.134 -13.338 -2.240 1.00 0.00 C ATOM 75 CD2 LEU A 25 3.805 -12.895 -3.209 1.00 0.00 C ATOM 0 H LEU A 25 3.289 -12.291 0.673 1.00 0.00 H new ATOM 0 HA LEU A 25 1.989 -13.762 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.644 -14.102 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.127 -15.067 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 25 4.632 -12.058 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.526 -12.583 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.717 -13.334 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.203 -14.320 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.255 -12.152 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.770 -13.858 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.793 -12.585 -2.950 1.00 0.00 H new ATOM 87 N VAL A 26 0.751 -15.390 -0.087 1.00 0.00 N ATOM 88 CA VAL A 26 0.047 -16.532 0.492 1.00 0.00 C ATOM 89 C VAL A 26 0.332 -17.748 -0.391 1.00 0.00 C ATOM 90 O VAL A 26 -0.071 -17.795 -1.560 1.00 0.00 O ATOM 91 CB VAL A 26 -1.504 -16.254 0.549 1.00 0.00 C ATOM 92 CG1 VAL A 26 -2.307 -17.478 1.059 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.821 -14.979 1.378 1.00 0.00 C ATOM 0 H VAL A 26 0.207 -14.898 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 26 0.390 -16.709 1.511 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.828 -16.074 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.369 -17.234 1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.142 -18.325 0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.975 -17.737 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.899 -14.816 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.455 -15.107 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.332 -14.118 0.922 1.00 0.00 H new ATOM 103 N ARG A 27 1.039 -18.715 0.189 1.00 0.00 N ATOM 104 CA ARG A 27 1.491 -19.921 -0.514 1.00 0.00 C ATOM 105 C ARG A 27 0.405 -21.001 -0.494 1.00 0.00 C ATOM 106 O ARG A 27 -0.651 -20.819 0.117 1.00 0.00 O ATOM 107 CB ARG A 27 2.796 -20.436 0.142 1.00 0.00 C ATOM 108 CG ARG A 27 3.981 -19.453 0.012 1.00 0.00 C ATOM 109 CD ARG A 27 5.180 -19.846 0.889 1.00 0.00 C ATOM 110 NE ARG A 27 5.623 -21.234 0.656 1.00 0.00 N ATOM 111 CZ ARG A 27 5.646 -22.211 1.578 1.00 0.00 C ATOM 112 NH1 ARG A 27 5.158 -22.016 2.800 1.00 0.00 N ATOM 113 NH2 ARG A 27 6.136 -23.395 1.256 1.00 0.00 N ATOM 0 H ARG A 27 1.319 -18.687 1.169 1.00 0.00 H new ATOM 0 HA ARG A 27 1.690 -19.675 -1.557 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.610 -20.631 1.198 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.072 -21.387 -0.314 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.298 -19.409 -1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.648 -18.452 0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.009 -19.166 0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.913 -19.725 1.939 1.00 0.00 H new ATOM 0 HE ARG A 27 5.938 -21.472 -0.284 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.757 -21.112 3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.185 -22.770 3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.492 -23.561 0.315 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.158 -24.143 1.949 1.00 0.00 H new ATOM 127 N ILE A 28 0.684 -22.126 -1.179 1.00 0.00 N ATOM 128 CA ILE A 28 -0.199 -23.309 -1.184 1.00 0.00 C ATOM 129 C ILE A 28 -0.422 -23.831 0.253 1.00 0.00 C ATOM 130 O ILE A 28 -1.523 -24.225 0.617 1.00 0.00 O ATOM 131 CB ILE A 28 0.377 -24.455 -2.109 1.00 0.00 C ATOM 132 CG1 ILE A 28 -0.628 -25.653 -2.208 1.00 0.00 C ATOM 133 CG2 ILE A 28 1.780 -24.926 -1.647 1.00 0.00 C ATOM 134 CD1 ILE A 28 -0.224 -26.771 -3.147 1.00 0.00 C ATOM 0 H ILE A 28 1.526 -22.241 -1.743 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.161 -23.002 -1.594 1.00 0.00 H new ATOM 0 HB ILE A 28 0.500 -24.036 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.765 -26.072 -1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.596 -25.266 -2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.136 -25.713 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.474 -24.086 -1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.718 -25.310 -0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.989 -27.547 -3.139 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.117 -26.377 -4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.726 -27.195 -2.821 1.00 0.00 H new ATOM 146 N ALA A 29 0.642 -23.764 1.063 1.00 0.00 N ATOM 147 CA ALA A 29 0.630 -24.199 2.467 1.00 0.00 C ATOM 148 C ALA A 29 -0.321 -23.326 3.316 1.00 0.00 C ATOM 149 O ALA A 29 -1.061 -23.837 4.161 1.00 0.00 O ATOM 150 CB ALA A 29 2.063 -24.169 3.027 1.00 0.00 C ATOM 0 H ALA A 29 1.546 -23.402 0.759 1.00 0.00 H new ATOM 0 HA ALA A 29 0.254 -25.221 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.054 -24.492 4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.695 -24.840 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.457 -23.154 2.965 1.00 0.00 H new ATOM 156 N ASP A 30 -0.310 -22.008 3.050 1.00 0.00 N ATOM 157 CA ASP A 30 -1.162 -21.030 3.765 1.00 0.00 C ATOM 158 C ASP A 30 -2.622 -21.139 3.303 1.00 0.00 C ATOM 159 O ASP A 30 -3.547 -21.061 4.120 1.00 0.00 O ATOM 160 CB ASP A 30 -0.648 -19.587 3.539 1.00 0.00 C ATOM 161 CG ASP A 30 0.804 -19.398 3.987 1.00 0.00 C ATOM 162 OD1 ASP A 30 1.055 -19.358 5.213 1.00 0.00 O ATOM 163 OD2 ASP A 30 1.707 -19.327 3.127 1.00 0.00 O ATOM 0 H ASP A 30 0.286 -21.588 2.337 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.112 -21.260 4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.733 -19.337 2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.285 -18.890 4.083 1.00 0.00 H new ATOM 168 N LEU A 31 -2.812 -21.339 1.985 1.00 0.00 N ATOM 169 CA LEU A 31 -4.151 -21.402 1.365 1.00 0.00 C ATOM 170 C LEU A 31 -4.917 -22.653 1.851 1.00 0.00 C ATOM 171 O LEU A 31 -6.054 -22.543 2.319 1.00 0.00 O ATOM 172 CB LEU A 31 -4.043 -21.390 -0.191 1.00 0.00 C ATOM 173 CG LEU A 31 -5.402 -21.328 -0.978 1.00 0.00 C ATOM 174 CD1 LEU A 31 -6.185 -20.047 -0.642 1.00 0.00 C ATOM 175 CD2 LEU A 31 -5.192 -21.442 -2.505 1.00 0.00 C ATOM 0 H LEU A 31 -2.046 -21.461 1.322 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.710 -20.518 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.436 -20.534 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.506 -22.285 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.990 -22.188 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.120 -20.034 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.402 -20.023 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.589 -19.175 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.157 -21.395 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.562 -20.621 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.708 -22.391 -2.736 1.00 0.00 H new ATOM 187 N GLU A 32 -4.250 -23.824 1.768 1.00 0.00 N ATOM 188 CA GLU A 32 -4.844 -25.132 2.121 1.00 0.00 C ATOM 189 C GLU A 32 -5.193 -25.224 3.619 1.00 0.00 C ATOM 190 O GLU A 32 -6.305 -25.624 3.972 1.00 0.00 O ATOM 191 CB GLU A 32 -3.889 -26.293 1.731 1.00 0.00 C ATOM 192 CG GLU A 32 -3.623 -26.433 0.217 1.00 0.00 C ATOM 193 CD GLU A 32 -4.878 -26.766 -0.608 1.00 0.00 C ATOM 194 OE1 GLU A 32 -5.207 -27.964 -0.753 1.00 0.00 O ATOM 195 OE2 GLU A 32 -5.540 -25.833 -1.112 1.00 0.00 O ATOM 0 H GLU A 32 -3.282 -23.889 1.454 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.771 -25.222 1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.937 -26.148 2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.309 -27.229 2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.193 -25.503 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.879 -27.214 0.059 1.00 0.00 H new ATOM 202 N ASN A 33 -4.233 -24.836 4.483 1.00 0.00 N ATOM 203 CA ASN A 33 -4.391 -24.940 5.951 1.00 0.00 C ATOM 204 C ASN A 33 -5.479 -23.982 6.475 1.00 0.00 C ATOM 205 O ASN A 33 -6.361 -24.408 7.228 1.00 0.00 O ATOM 206 CB ASN A 33 -3.044 -24.704 6.702 1.00 0.00 C ATOM 207 CG ASN A 33 -2.183 -25.972 6.816 1.00 0.00 C ATOM 208 OD1 ASN A 33 -2.316 -26.741 7.769 1.00 0.00 O ATOM 209 ND2 ASN A 33 -1.288 -26.195 5.866 1.00 0.00 N ATOM 0 H ASN A 33 -3.337 -24.446 4.190 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.711 -25.961 6.158 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.476 -23.933 6.182 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.255 -24.325 7.702 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.689 -27.019 5.913 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.198 -25.543 5.087 1.00 0.00 H new ATOM 216 N HIS A 34 -5.429 -22.701 6.043 1.00 0.00 N ATOM 217 CA HIS A 34 -6.392 -21.668 6.497 1.00 0.00 C ATOM 218 C HIS A 34 -7.823 -22.019 6.036 1.00 0.00 C ATOM 219 O HIS A 34 -8.796 -21.791 6.764 1.00 0.00 O ATOM 220 CB HIS A 34 -5.991 -20.255 5.998 1.00 0.00 C ATOM 221 CG HIS A 34 -6.816 -19.142 6.604 1.00 0.00 C ATOM 222 ND1 HIS A 34 -8.074 -18.806 6.153 1.00 0.00 N ATOM 223 CD2 HIS A 34 -6.579 -18.333 7.667 1.00 0.00 C ATOM 224 CE1 HIS A 34 -8.567 -17.842 6.901 1.00 0.00 C ATOM 225 NE2 HIS A 34 -7.682 -17.535 7.822 1.00 0.00 N ATOM 0 H HIS A 34 -4.733 -22.357 5.381 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.369 -21.653 7.587 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.939 -20.083 6.227 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.090 -20.220 4.913 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.550 -19.238 5.361 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.688 -18.320 8.277 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.536 -17.381 6.778 1.00 0.00 H new ATOM 234 N ASN A 35 -7.922 -22.588 4.818 1.00 0.00 N ATOM 235 CA ASN A 35 -9.198 -23.065 4.248 1.00 0.00 C ATOM 236 C ASN A 35 -9.738 -24.245 5.076 1.00 0.00 C ATOM 237 O ASN A 35 -10.941 -24.330 5.349 1.00 0.00 O ATOM 238 CB ASN A 35 -9.000 -23.476 2.768 1.00 0.00 C ATOM 239 CG ASN A 35 -10.306 -23.775 2.033 1.00 0.00 C ATOM 240 OD1 ASN A 35 -10.894 -22.893 1.409 1.00 0.00 O ATOM 241 ND2 ASN A 35 -10.770 -25.014 2.104 1.00 0.00 N ATOM 0 H ASN A 35 -7.121 -22.730 4.203 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.929 -22.257 4.284 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.474 -22.677 2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.361 -24.358 2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.640 -25.261 1.632 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.257 -25.721 2.630 1.00 0.00 H new ATOM 248 N ASN A 36 -8.809 -25.126 5.502 1.00 0.00 N ATOM 249 CA ASN A 36 -9.125 -26.328 6.300 1.00 0.00 C ATOM 250 C ASN A 36 -9.621 -25.954 7.718 1.00 0.00 C ATOM 251 O ASN A 36 -10.429 -26.684 8.309 1.00 0.00 O ATOM 252 CB ASN A 36 -7.880 -27.260 6.367 1.00 0.00 C ATOM 253 CG ASN A 36 -8.123 -28.555 7.147 1.00 0.00 C ATOM 254 OD1 ASN A 36 -7.817 -28.651 8.332 1.00 0.00 O ATOM 255 ND2 ASN A 36 -8.698 -29.553 6.494 1.00 0.00 N ATOM 0 H ASN A 36 -7.814 -25.023 5.301 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.938 -26.863 5.809 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.569 -27.510 5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.055 -26.717 6.829 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.898 -30.430 6.976 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.941 -29.445 5.509 1.00 0.00 H new ATOM 262 N ASP A 37 -9.155 -24.798 8.246 1.00 0.00 N ATOM 263 CA ASP A 37 -9.619 -24.253 9.552 1.00 0.00 C ATOM 264 C ASP A 37 -11.109 -23.852 9.503 1.00 0.00 C ATOM 265 O ASP A 37 -11.778 -23.791 10.541 1.00 0.00 O ATOM 266 CB ASP A 37 -8.775 -23.011 9.965 1.00 0.00 C ATOM 267 CG ASP A 37 -7.337 -23.355 10.397 1.00 0.00 C ATOM 268 OD1 ASP A 37 -7.173 -24.006 11.454 1.00 0.00 O ATOM 269 OD2 ASP A 37 -6.368 -22.954 9.718 1.00 0.00 O ATOM 0 H ASP A 37 -8.453 -24.218 7.787 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.491 -25.045 10.290 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.736 -22.314 9.128 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.278 -22.497 10.784 1.00 0.00 H new ATOM 274 N GLY A 38 -11.607 -23.584 8.288 1.00 0.00 N ATOM 275 CA GLY A 38 -12.981 -23.131 8.064 1.00 0.00 C ATOM 276 C GLY A 38 -13.010 -21.808 7.328 1.00 0.00 C ATOM 277 O GLY A 38 -13.987 -21.490 6.637 1.00 0.00 O ATOM 0 H GLY A 38 -11.063 -23.677 7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.525 -23.881 7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.493 -23.029 9.021 1.00 0.00 H new ATOM 281 N GLY A 39 -11.927 -21.028 7.497 1.00 0.00 N ATOM 282 CA GLY A 39 -11.745 -19.762 6.801 1.00 0.00 C ATOM 283 C GLY A 39 -11.498 -19.971 5.320 1.00 0.00 C ATOM 284 O GLY A 39 -10.342 -20.079 4.895 1.00 0.00 O ATOM 0 H GLY A 39 -11.158 -21.267 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.629 -19.140 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.905 -19.223 7.238 1.00 0.00 H new ATOM 288 N PHE A 40 -12.581 -20.006 4.531 1.00 0.00 N ATOM 289 CA PHE A 40 -12.512 -20.372 3.114 1.00 0.00 C ATOM 290 C PHE A 40 -11.893 -19.200 2.342 1.00 0.00 C ATOM 291 O PHE A 40 -12.457 -18.101 2.292 1.00 0.00 O ATOM 292 CB PHE A 40 -13.930 -20.717 2.551 1.00 0.00 C ATOM 293 CG PHE A 40 -13.929 -21.435 1.183 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.575 -20.768 0.007 1.00 0.00 C ATOM 295 CD2 PHE A 40 -14.291 -22.780 1.077 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.577 -21.412 -1.217 1.00 0.00 C ATOM 297 CE2 PHE A 40 -14.294 -23.423 -0.152 1.00 0.00 C ATOM 298 CZ PHE A 40 -13.937 -22.739 -1.295 1.00 0.00 C ATOM 0 H PHE A 40 -13.522 -19.783 4.856 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.894 -21.263 2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.449 -21.345 3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.503 -19.794 2.460 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.294 -19.726 0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.573 -23.327 1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.296 -20.875 -2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.577 -24.463 -0.214 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.940 -23.243 -2.250 1.00 0.00 H new ATOM 308 N TRP A 41 -10.691 -19.446 1.821 1.00 0.00 N ATOM 309 CA TRP A 41 -9.999 -18.545 0.902 1.00 0.00 C ATOM 310 C TRP A 41 -10.076 -19.132 -0.513 1.00 0.00 C ATOM 311 O TRP A 41 -10.229 -20.342 -0.680 1.00 0.00 O ATOM 312 CB TRP A 41 -8.517 -18.352 1.340 1.00 0.00 C ATOM 313 CG TRP A 41 -8.284 -17.411 2.508 1.00 0.00 C ATOM 314 CD1 TRP A 41 -9.204 -16.642 3.152 1.00 0.00 C ATOM 315 CD2 TRP A 41 -7.023 -17.135 3.143 1.00 0.00 C ATOM 316 NE1 TRP A 41 -8.597 -15.898 4.130 1.00 0.00 N ATOM 317 CE2 TRP A 41 -7.262 -16.183 4.147 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.713 -17.604 2.959 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -6.246 -15.682 4.959 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.706 -17.104 3.764 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.979 -16.159 4.761 1.00 0.00 C ATOM 0 H TRP A 41 -10.162 -20.293 2.030 1.00 0.00 H new ATOM 0 HA TRP A 41 -10.478 -17.566 0.916 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.105 -19.328 1.598 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.951 -17.984 0.484 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -10.260 -16.621 2.925 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.068 -15.236 4.747 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.495 -18.343 2.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.452 -14.942 5.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.692 -17.448 3.622 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.174 -15.800 5.385 1.00 0.00 H new ATOM 332 N THR A 42 -9.973 -18.264 -1.520 1.00 0.00 N ATOM 333 CA THR A 42 -9.976 -18.661 -2.942 1.00 0.00 C ATOM 334 C THR A 42 -8.781 -18.017 -3.653 1.00 0.00 C ATOM 335 O THR A 42 -8.218 -17.040 -3.156 1.00 0.00 O ATOM 336 CB THR A 42 -11.313 -18.231 -3.645 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.371 -18.754 -4.984 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.489 -16.696 -3.694 1.00 0.00 C ATOM 0 H THR A 42 -9.884 -17.258 -1.379 1.00 0.00 H new ATOM 0 HA THR A 42 -9.898 -19.747 -3.000 1.00 0.00 H new ATOM 0 HB THR A 42 -12.124 -18.645 -3.046 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.230 -19.205 -5.122 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.429 -16.453 -4.190 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.501 -16.299 -2.679 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.661 -16.252 -4.248 1.00 0.00 H new ATOM 346 N VAL A 43 -8.401 -18.567 -4.814 1.00 0.00 N ATOM 347 CA VAL A 43 -7.375 -17.972 -5.680 1.00 0.00 C ATOM 348 C VAL A 43 -8.021 -17.573 -7.021 1.00 0.00 C ATOM 349 O VAL A 43 -8.430 -18.425 -7.814 1.00 0.00 O ATOM 350 CB VAL A 43 -6.129 -18.929 -5.873 1.00 0.00 C ATOM 351 CG1 VAL A 43 -6.546 -20.387 -6.188 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.153 -18.374 -6.942 1.00 0.00 C ATOM 0 H VAL A 43 -8.795 -19.434 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.981 -17.076 -5.200 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.601 -18.955 -4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.654 -21.002 -6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.147 -20.779 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.131 -20.408 -7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.308 -19.054 -7.051 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.672 -18.284 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.792 -17.394 -6.631 1.00 0.00 H new ATOM 362 N ILE A 44 -8.151 -16.250 -7.235 1.00 0.00 N ATOM 363 CA ILE A 44 -8.715 -15.641 -8.456 1.00 0.00 C ATOM 364 C ILE A 44 -7.783 -14.488 -8.878 1.00 0.00 C ATOM 365 O ILE A 44 -7.373 -13.700 -8.026 1.00 0.00 O ATOM 366 CB ILE A 44 -10.169 -15.069 -8.216 1.00 0.00 C ATOM 367 CG1 ILE A 44 -11.120 -16.141 -7.587 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.766 -14.516 -9.534 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.484 -15.618 -7.153 1.00 0.00 C ATOM 0 H ILE A 44 -7.859 -15.557 -6.546 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.788 -16.406 -9.229 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.082 -14.250 -7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.269 -16.942 -8.311 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.624 -16.581 -6.722 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.767 -14.128 -9.345 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.131 -13.715 -9.913 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.821 -15.316 -10.273 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.069 -16.435 -6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.353 -14.839 -6.402 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.007 -15.206 -8.016 1.00 0.00 H new ATOM 381 N ASP A 45 -7.441 -14.412 -10.179 1.00 0.00 N ATOM 382 CA ASP A 45 -6.564 -13.351 -10.763 1.00 0.00 C ATOM 383 C ASP A 45 -5.129 -13.424 -10.150 1.00 0.00 C ATOM 384 O ASP A 45 -4.378 -12.437 -10.108 1.00 0.00 O ATOM 385 CB ASP A 45 -7.239 -11.940 -10.571 1.00 0.00 C ATOM 386 CG ASP A 45 -6.539 -10.795 -11.329 1.00 0.00 C ATOM 387 OD1 ASP A 45 -6.679 -10.723 -12.568 1.00 0.00 O ATOM 388 OD2 ASP A 45 -5.850 -9.956 -10.693 1.00 0.00 O ATOM 0 H ASP A 45 -7.764 -15.088 -10.871 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.450 -13.516 -11.834 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.276 -11.998 -10.901 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.256 -11.700 -9.508 1.00 0.00 H new ATOM 393 N GLY A 46 -4.734 -14.657 -9.758 1.00 0.00 N ATOM 394 CA GLY A 46 -3.469 -14.910 -9.053 1.00 0.00 C ATOM 395 C GLY A 46 -3.401 -14.260 -7.670 1.00 0.00 C ATOM 396 O GLY A 46 -2.320 -14.079 -7.116 1.00 0.00 O ATOM 0 H GLY A 46 -5.286 -15.499 -9.924 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.330 -15.986 -8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.643 -14.540 -9.661 1.00 0.00 H new ATOM 400 N LYS A 47 -4.574 -13.905 -7.117 1.00 0.00 N ATOM 401 CA LYS A 47 -4.713 -13.259 -5.800 1.00 0.00 C ATOM 402 C LYS A 47 -5.495 -14.195 -4.881 1.00 0.00 C ATOM 403 O LYS A 47 -6.320 -14.979 -5.351 1.00 0.00 O ATOM 404 CB LYS A 47 -5.494 -11.922 -5.914 1.00 0.00 C ATOM 405 CG LYS A 47 -5.009 -10.949 -6.998 1.00 0.00 C ATOM 406 CD LYS A 47 -3.607 -10.396 -6.729 1.00 0.00 C ATOM 407 CE LYS A 47 -3.150 -9.422 -7.829 1.00 0.00 C ATOM 408 NZ LYS A 47 -3.220 -10.033 -9.189 1.00 0.00 N ATOM 0 H LYS A 47 -5.468 -14.062 -7.581 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.718 -13.053 -5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.543 -12.152 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.448 -11.414 -4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.013 -11.458 -7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.712 -10.119 -7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.597 -9.885 -5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.899 -11.222 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.773 -8.528 -7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.127 -9.104 -7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.372 -9.771 -9.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.269 -11.068 -9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.068 -9.686 -9.682 1.00 0.00 H new ATOM 422 N VAL A 48 -5.257 -14.097 -3.572 1.00 0.00 N ATOM 423 CA VAL A 48 -6.034 -14.835 -2.566 1.00 0.00 C ATOM 424 C VAL A 48 -7.054 -13.892 -1.905 1.00 0.00 C ATOM 425 O VAL A 48 -6.679 -12.847 -1.354 1.00 0.00 O ATOM 426 CB VAL A 48 -5.113 -15.495 -1.485 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.932 -16.270 -0.424 1.00 0.00 C ATOM 428 CG2 VAL A 48 -4.078 -16.419 -2.154 1.00 0.00 C ATOM 0 H VAL A 48 -4.524 -13.507 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.562 -15.642 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.587 -14.693 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.255 -16.712 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.614 -15.585 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.505 -17.059 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.445 -16.870 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.594 -17.203 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.461 -15.838 -2.839 1.00 0.00 H new ATOM 438 N TYR A 49 -8.343 -14.269 -1.991 1.00 0.00 N ATOM 439 CA TYR A 49 -9.465 -13.498 -1.426 1.00 0.00 C ATOM 440 C TYR A 49 -10.140 -14.286 -0.291 1.00 0.00 C ATOM 441 O TYR A 49 -10.087 -15.516 -0.269 1.00 0.00 O ATOM 442 CB TYR A 49 -10.512 -13.183 -2.519 1.00 0.00 C ATOM 443 CG TYR A 49 -9.991 -12.326 -3.677 1.00 0.00 C ATOM 444 CD1 TYR A 49 -10.017 -10.931 -3.614 1.00 0.00 C ATOM 445 CD2 TYR A 49 -9.456 -12.909 -4.826 1.00 0.00 C ATOM 446 CE1 TYR A 49 -9.537 -10.160 -4.652 1.00 0.00 C ATOM 447 CE2 TYR A 49 -8.977 -12.131 -5.858 1.00 0.00 C ATOM 448 CZ TYR A 49 -9.014 -10.762 -5.764 1.00 0.00 C ATOM 449 OH TYR A 49 -8.523 -9.989 -6.792 1.00 0.00 O ATOM 0 H TYR A 49 -8.637 -15.126 -2.459 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.066 -12.564 -1.030 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.890 -14.122 -2.922 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.356 -12.671 -2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.420 -10.447 -2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.417 -13.985 -4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.574 -9.083 -4.587 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.572 -12.600 -6.743 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.187 -10.570 -7.506 1.00 0.00 H new ATOM 459 N ASP A 50 -10.798 -13.557 0.627 1.00 0.00 N ATOM 460 CA ASP A 50 -11.525 -14.147 1.761 1.00 0.00 C ATOM 461 C ASP A 50 -13.012 -14.315 1.387 1.00 0.00 C ATOM 462 O ASP A 50 -13.760 -13.330 1.294 1.00 0.00 O ATOM 463 CB ASP A 50 -11.349 -13.254 3.026 1.00 0.00 C ATOM 464 CG ASP A 50 -11.705 -13.976 4.344 1.00 0.00 C ATOM 465 OD1 ASP A 50 -12.882 -14.309 4.557 1.00 0.00 O ATOM 466 OD2 ASP A 50 -10.809 -14.198 5.186 1.00 0.00 O ATOM 0 H ASP A 50 -10.840 -12.538 0.602 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.119 -15.132 1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.316 -12.910 3.077 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.976 -12.368 2.926 1.00 0.00 H new ATOM 471 N ILE A 51 -13.414 -15.575 1.160 1.00 0.00 N ATOM 472 CA ILE A 51 -14.783 -15.941 0.733 1.00 0.00 C ATOM 473 C ILE A 51 -15.794 -15.864 1.888 1.00 0.00 C ATOM 474 O ILE A 51 -16.936 -15.416 1.681 1.00 0.00 O ATOM 475 CB ILE A 51 -14.798 -17.381 0.072 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.196 -17.327 -1.361 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.199 -18.057 0.057 1.00 0.00 C ATOM 478 CD1 ILE A 51 -14.976 -16.461 -2.340 1.00 0.00 C ATOM 0 H ILE A 51 -12.796 -16.379 1.267 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.092 -15.209 -0.013 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.175 -18.010 0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.174 -16.953 -1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.140 -18.341 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.124 -19.038 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -16.560 -18.169 1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -16.896 -17.437 -0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.486 -16.481 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -15.991 -16.846 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.010 -15.436 -1.972 1.00 0.00 H new ATOM 490 N LYS A 52 -15.392 -16.301 3.095 1.00 0.00 N ATOM 491 CA LYS A 52 -16.329 -16.367 4.235 1.00 0.00 C ATOM 492 C LYS A 52 -16.764 -14.952 4.675 1.00 0.00 C ATOM 493 O LYS A 52 -17.896 -14.762 5.121 1.00 0.00 O ATOM 494 CB LYS A 52 -15.758 -17.163 5.430 1.00 0.00 C ATOM 495 CG LYS A 52 -14.556 -16.529 6.155 1.00 0.00 C ATOM 496 CD LYS A 52 -14.263 -17.211 7.508 1.00 0.00 C ATOM 497 CE LYS A 52 -15.400 -17.032 8.529 1.00 0.00 C ATOM 498 NZ LYS A 52 -15.196 -17.881 9.727 1.00 0.00 N ATOM 0 H LYS A 52 -14.443 -16.609 3.306 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.208 -16.909 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.557 -17.312 6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.462 -18.150 5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.674 -16.596 5.518 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.751 -15.469 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.094 -18.275 7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.342 -16.802 7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.459 -15.986 8.829 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.352 -17.283 8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.981 -17.735 10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.165 -18.881 9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.299 -17.624 10.186 1.00 0.00 H new ATOM 512 N ASP A 53 -15.857 -13.966 4.521 1.00 0.00 N ATOM 513 CA ASP A 53 -16.160 -12.558 4.822 1.00 0.00 C ATOM 514 C ASP A 53 -17.071 -11.978 3.727 1.00 0.00 C ATOM 515 O ASP A 53 -17.982 -11.213 4.022 1.00 0.00 O ATOM 516 CB ASP A 53 -14.863 -11.713 4.948 1.00 0.00 C ATOM 517 CG ASP A 53 -15.074 -10.417 5.763 1.00 0.00 C ATOM 518 OD1 ASP A 53 -15.488 -9.376 5.198 1.00 0.00 O ATOM 519 OD2 ASP A 53 -14.848 -10.448 6.996 1.00 0.00 O ATOM 0 H ASP A 53 -14.906 -14.123 4.188 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.675 -12.517 5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.087 -12.314 5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.503 -11.457 3.952 1.00 0.00 H new ATOM 524 N PHE A 54 -16.794 -12.388 2.469 1.00 0.00 N ATOM 525 CA PHE A 54 -17.544 -11.965 1.265 1.00 0.00 C ATOM 526 C PHE A 54 -19.053 -12.211 1.437 1.00 0.00 C ATOM 527 O PHE A 54 -19.861 -11.293 1.292 1.00 0.00 O ATOM 528 CB PHE A 54 -16.986 -12.723 0.015 1.00 0.00 C ATOM 529 CG PHE A 54 -17.654 -12.387 -1.324 1.00 0.00 C ATOM 530 CD1 PHE A 54 -18.827 -13.037 -1.732 1.00 0.00 C ATOM 531 CD2 PHE A 54 -17.124 -11.417 -2.170 1.00 0.00 C ATOM 532 CE1 PHE A 54 -19.431 -12.729 -2.933 1.00 0.00 C ATOM 533 CE2 PHE A 54 -17.736 -11.113 -3.373 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.888 -11.762 -3.749 1.00 0.00 C ATOM 0 H PHE A 54 -16.031 -13.032 2.258 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.409 -10.893 1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.920 -12.510 -0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.085 -13.794 0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -19.265 -13.791 -1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.223 -10.895 -1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -20.330 -13.246 -3.233 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -17.307 -10.362 -4.020 1.00 0.00 H new ATOM 0 HZ PHE A 54 -19.367 -11.513 -4.684 1.00 0.00 H new ATOM 544 N GLN A 55 -19.404 -13.458 1.769 1.00 0.00 N ATOM 545 CA GLN A 55 -20.808 -13.890 1.905 1.00 0.00 C ATOM 546 C GLN A 55 -21.498 -13.276 3.153 1.00 0.00 C ATOM 547 O GLN A 55 -22.723 -13.088 3.156 1.00 0.00 O ATOM 548 CB GLN A 55 -20.894 -15.431 1.875 1.00 0.00 C ATOM 549 CG GLN A 55 -20.034 -16.156 2.929 1.00 0.00 C ATOM 550 CD GLN A 55 -19.976 -17.683 2.763 1.00 0.00 C ATOM 551 OE1 GLN A 55 -18.968 -18.315 3.090 1.00 0.00 O ATOM 552 NE2 GLN A 55 -21.058 -18.298 2.298 1.00 0.00 N ATOM 0 H GLN A 55 -18.727 -14.199 1.952 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.366 -13.507 1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -21.935 -15.724 2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -20.595 -15.777 0.885 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -19.019 -15.760 2.887 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.425 -15.925 3.920 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -21.880 -17.754 2.034 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -21.067 -19.314 2.205 1.00 0.00 H new ATOM 561 N THR A 56 -20.712 -12.955 4.202 1.00 0.00 N ATOM 562 CA THR A 56 -21.225 -12.240 5.396 1.00 0.00 C ATOM 563 C THR A 56 -21.508 -10.752 5.051 1.00 0.00 C ATOM 564 O THR A 56 -22.424 -10.131 5.610 1.00 0.00 O ATOM 565 CB THR A 56 -20.227 -12.336 6.594 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.806 -13.692 6.773 1.00 0.00 O ATOM 567 CG2 THR A 56 -20.829 -11.822 7.919 1.00 0.00 C ATOM 0 H THR A 56 -19.718 -13.179 4.249 1.00 0.00 H new ATOM 0 HA THR A 56 -22.156 -12.721 5.698 1.00 0.00 H new ATOM 0 HB THR A 56 -19.379 -11.698 6.344 1.00 0.00 H new ATOM 0 HG1 THR A 56 -19.070 -13.890 6.157 1.00 0.00 H new ATOM 0 HG21 THR A 56 -20.089 -11.914 8.714 1.00 0.00 H new ATOM 0 HG22 THR A 56 -21.114 -10.776 7.807 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.709 -12.413 8.172 1.00 0.00 H new ATOM 575 N GLN A 57 -20.698 -10.180 4.139 1.00 0.00 N ATOM 576 CA GLN A 57 -20.940 -8.833 3.592 1.00 0.00 C ATOM 577 C GLN A 57 -22.188 -8.860 2.682 1.00 0.00 C ATOM 578 O GLN A 57 -22.960 -7.907 2.660 1.00 0.00 O ATOM 579 CB GLN A 57 -19.712 -8.340 2.791 1.00 0.00 C ATOM 580 CG GLN A 57 -18.416 -8.106 3.596 1.00 0.00 C ATOM 581 CD GLN A 57 -18.471 -6.927 4.566 1.00 0.00 C ATOM 582 OE1 GLN A 57 -19.187 -5.948 4.345 1.00 0.00 O ATOM 583 NE2 GLN A 57 -17.660 -6.977 5.616 1.00 0.00 N ATOM 0 H GLN A 57 -19.865 -10.635 3.764 1.00 0.00 H new ATOM 0 HA GLN A 57 -21.109 -8.144 4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.501 -9.068 2.007 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -19.980 -7.407 2.296 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.185 -9.011 4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.594 -7.946 2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -17.079 -7.801 5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.618 -6.192 6.266 1.00 0.00 H new ATOM 592 N SER A 58 -22.382 -9.987 1.955 1.00 0.00 N ATOM 593 CA SER A 58 -23.548 -10.190 1.066 1.00 0.00 C ATOM 594 C SER A 58 -24.864 -10.249 1.878 1.00 0.00 C ATOM 595 O SER A 58 -25.938 -9.919 1.364 1.00 0.00 O ATOM 596 CB SER A 58 -23.379 -11.485 0.232 1.00 0.00 C ATOM 597 OG SER A 58 -22.142 -11.496 -0.473 1.00 0.00 O ATOM 0 H SER A 58 -21.737 -10.777 1.969 1.00 0.00 H new ATOM 0 HA SER A 58 -23.602 -9.339 0.388 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.431 -12.352 0.891 1.00 0.00 H new ATOM 0 HB3 SER A 58 -24.203 -11.573 -0.476 1.00 0.00 H new ATOM 0 HG SER A 58 -21.400 -11.488 0.168 1.00 0.00 H new ATOM 603 N LEU A 59 -24.742 -10.679 3.156 1.00 0.00 N ATOM 604 CA LEU A 59 -25.846 -10.684 4.142 1.00 0.00 C ATOM 605 C LEU A 59 -26.330 -9.237 4.373 1.00 0.00 C ATOM 606 O LEU A 59 -27.538 -8.968 4.416 1.00 0.00 O ATOM 607 CB LEU A 59 -25.356 -11.359 5.470 1.00 0.00 C ATOM 608 CG LEU A 59 -26.412 -11.691 6.596 1.00 0.00 C ATOM 609 CD1 LEU A 59 -25.836 -12.724 7.594 1.00 0.00 C ATOM 610 CD2 LEU A 59 -26.901 -10.438 7.372 1.00 0.00 C ATOM 0 H LEU A 59 -23.865 -11.036 3.534 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.690 -11.263 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -24.858 -12.291 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -24.600 -10.709 5.910 1.00 0.00 H new ATOM 0 HG LEU A 59 -27.278 -12.108 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -26.578 -12.940 8.363 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.585 -13.642 7.063 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -24.938 -12.318 8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -27.624 -10.739 8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.051 -9.954 7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -27.371 -9.741 6.678 1.00 0.00 H new ATOM 622 N THR A 60 -25.362 -8.321 4.530 1.00 0.00 N ATOM 623 CA THR A 60 -25.632 -6.892 4.709 1.00 0.00 C ATOM 624 C THR A 60 -26.241 -6.293 3.419 1.00 0.00 C ATOM 625 O THR A 60 -25.628 -6.337 2.349 1.00 0.00 O ATOM 626 CB THR A 60 -24.322 -6.138 5.108 1.00 0.00 C ATOM 627 OG1 THR A 60 -23.808 -6.697 6.329 1.00 0.00 O ATOM 628 CG2 THR A 60 -24.536 -4.615 5.282 1.00 0.00 C ATOM 0 H THR A 60 -24.369 -8.554 4.536 1.00 0.00 H new ATOM 0 HA THR A 60 -26.355 -6.770 5.515 1.00 0.00 H new ATOM 0 HB THR A 60 -23.609 -6.268 4.294 1.00 0.00 H new ATOM 0 HG1 THR A 60 -22.985 -6.229 6.582 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.593 -4.144 5.559 1.00 0.00 H new ATOM 0 HG22 THR A 60 -24.893 -4.188 4.345 1.00 0.00 H new ATOM 0 HG23 THR A 60 -25.273 -4.438 6.065 1.00 0.00 H new ATOM 636 N GLU A 61 -27.462 -5.746 3.560 1.00 0.00 N ATOM 637 CA GLU A 61 -28.241 -5.169 2.446 1.00 0.00 C ATOM 638 C GLU A 61 -27.547 -3.917 1.865 1.00 0.00 C ATOM 639 O GLU A 61 -27.642 -3.632 0.666 1.00 0.00 O ATOM 640 CB GLU A 61 -29.662 -4.804 2.964 1.00 0.00 C ATOM 641 CG GLU A 61 -30.676 -4.413 1.879 1.00 0.00 C ATOM 642 CD GLU A 61 -31.010 -5.574 0.930 1.00 0.00 C ATOM 643 OE1 GLU A 61 -31.719 -6.512 1.360 1.00 0.00 O ATOM 644 OE2 GLU A 61 -30.554 -5.570 -0.233 1.00 0.00 O ATOM 0 H GLU A 61 -27.941 -5.691 4.459 1.00 0.00 H new ATOM 0 HA GLU A 61 -28.312 -5.905 1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.058 -5.655 3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -29.572 -3.978 3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -31.592 -4.063 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -30.278 -3.579 1.300 1.00 0.00 H new ATOM 651 N ASN A 62 -26.837 -3.192 2.749 1.00 0.00 N ATOM 652 CA ASN A 62 -26.124 -1.944 2.419 1.00 0.00 C ATOM 653 C ASN A 62 -24.899 -2.206 1.515 1.00 0.00 C ATOM 654 O ASN A 62 -24.373 -1.273 0.890 1.00 0.00 O ATOM 655 CB ASN A 62 -25.657 -1.231 3.721 1.00 0.00 C ATOM 656 CG ASN A 62 -26.785 -0.868 4.693 1.00 0.00 C ATOM 657 OD1 ASN A 62 -27.816 -1.534 4.759 1.00 0.00 O ATOM 658 ND2 ASN A 62 -26.588 0.185 5.475 1.00 0.00 N ATOM 0 H ASN A 62 -26.741 -3.461 3.728 1.00 0.00 H new ATOM 0 HA ASN A 62 -26.821 -1.306 1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -24.945 -1.876 4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -25.123 -0.320 3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -27.301 0.459 6.151 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -25.723 0.721 5.400 1.00 0.00 H new ATOM 665 N SER A 63 -24.432 -3.469 1.469 1.00 0.00 N ATOM 666 CA SER A 63 -23.263 -3.860 0.664 1.00 0.00 C ATOM 667 C SER A 63 -23.632 -3.947 -0.827 1.00 0.00 C ATOM 668 O SER A 63 -24.785 -4.205 -1.184 1.00 0.00 O ATOM 669 CB SER A 63 -22.695 -5.214 1.153 1.00 0.00 C ATOM 670 OG SER A 63 -21.528 -5.588 0.430 1.00 0.00 O ATOM 0 H SER A 63 -24.853 -4.241 1.986 1.00 0.00 H new ATOM 0 HA SER A 63 -22.497 -3.095 0.786 1.00 0.00 H new ATOM 0 HB2 SER A 63 -22.459 -5.147 2.215 1.00 0.00 H new ATOM 0 HB3 SER A 63 -23.455 -5.988 1.043 1.00 0.00 H new ATOM 0 HG SER A 63 -21.196 -6.446 0.766 1.00 0.00 H new ATOM 676 N ILE A 64 -22.618 -3.725 -1.684 1.00 0.00 N ATOM 677 CA ILE A 64 -22.710 -3.964 -3.139 1.00 0.00 C ATOM 678 C ILE A 64 -22.999 -5.454 -3.431 1.00 0.00 C ATOM 679 O ILE A 64 -23.609 -5.791 -4.441 1.00 0.00 O ATOM 680 CB ILE A 64 -21.377 -3.552 -3.868 1.00 0.00 C ATOM 681 CG1 ILE A 64 -20.162 -4.306 -3.239 1.00 0.00 C ATOM 682 CG2 ILE A 64 -21.169 -2.018 -3.845 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.845 -4.060 -3.912 1.00 0.00 C ATOM 0 H ILE A 64 -21.708 -3.373 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.529 -3.351 -3.516 1.00 0.00 H new ATOM 0 HB ILE A 64 -21.455 -3.845 -4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -20.077 -4.017 -2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.368 -5.376 -3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -20.239 -1.769 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -22.003 -1.530 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -21.118 -1.673 -2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.065 -4.626 -3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.904 -4.377 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.608 -2.997 -3.870 1.00 0.00 H new ATOM 695 N LEU A 65 -22.574 -6.329 -2.493 1.00 0.00 N ATOM 696 CA LEU A 65 -22.695 -7.792 -2.612 1.00 0.00 C ATOM 697 C LEU A 65 -24.132 -8.278 -2.325 1.00 0.00 C ATOM 698 O LEU A 65 -24.391 -9.483 -2.358 1.00 0.00 O ATOM 699 CB LEU A 65 -21.699 -8.483 -1.651 1.00 0.00 C ATOM 700 CG LEU A 65 -20.211 -8.031 -1.737 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.337 -8.857 -0.780 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.669 -8.088 -3.181 1.00 0.00 C ATOM 0 H LEU A 65 -22.133 -6.032 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.458 -8.061 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.045 -8.321 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -21.739 -9.557 -1.835 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.168 -6.987 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.301 -8.526 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.688 -8.720 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.401 -9.912 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.628 -7.764 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -19.735 -9.110 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.260 -7.430 -3.818 1.00 0.00 H new ATOM 714 N ALA A 66 -25.050 -7.337 -2.032 1.00 0.00 N ATOM 715 CA ALA A 66 -26.496 -7.625 -1.894 1.00 0.00 C ATOM 716 C ALA A 66 -27.090 -8.161 -3.221 1.00 0.00 C ATOM 717 O ALA A 66 -28.034 -8.959 -3.216 1.00 0.00 O ATOM 718 CB ALA A 66 -27.239 -6.366 -1.425 1.00 0.00 C ATOM 0 H ALA A 66 -24.813 -6.356 -1.884 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.623 -8.405 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.302 -6.586 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -26.843 -6.048 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.100 -5.569 -2.155 1.00 0.00 H new ATOM 724 N GLN A 67 -26.504 -7.711 -4.355 1.00 0.00 N ATOM 725 CA GLN A 67 -26.868 -8.197 -5.708 1.00 0.00 C ATOM 726 C GLN A 67 -26.310 -9.624 -5.946 1.00 0.00 C ATOM 727 O GLN A 67 -26.855 -10.389 -6.746 1.00 0.00 O ATOM 728 CB GLN A 67 -26.321 -7.228 -6.795 1.00 0.00 C ATOM 729 CG GLN A 67 -24.785 -7.236 -6.940 1.00 0.00 C ATOM 730 CD GLN A 67 -24.243 -6.214 -7.934 1.00 0.00 C ATOM 731 OE1 GLN A 67 -24.128 -6.499 -9.124 1.00 0.00 O ATOM 732 NE2 GLN A 67 -23.889 -5.028 -7.457 1.00 0.00 N ATOM 0 H GLN A 67 -25.769 -7.004 -4.359 1.00 0.00 H new ATOM 0 HA GLN A 67 -27.955 -8.231 -5.776 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -26.766 -7.490 -7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -26.646 -6.215 -6.558 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.339 -7.048 -5.964 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -24.466 -8.231 -7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -23.998 -4.825 -6.463 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -23.508 -4.319 -8.084 1.00 0.00 H new ATOM 741 N PHE A 68 -25.202 -9.947 -5.248 1.00 0.00 N ATOM 742 CA PHE A 68 -24.508 -11.249 -5.344 1.00 0.00 C ATOM 743 C PHE A 68 -25.016 -12.240 -4.274 1.00 0.00 C ATOM 744 O PHE A 68 -24.619 -13.412 -4.269 1.00 0.00 O ATOM 745 CB PHE A 68 -22.975 -11.040 -5.204 1.00 0.00 C ATOM 746 CG PHE A 68 -22.340 -10.208 -6.326 1.00 0.00 C ATOM 747 CD1 PHE A 68 -22.474 -10.591 -7.663 1.00 0.00 C ATOM 748 CD2 PHE A 68 -21.618 -9.048 -6.048 1.00 0.00 C ATOM 749 CE1 PHE A 68 -21.903 -9.842 -8.676 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.047 -8.300 -7.063 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.192 -8.696 -8.374 1.00 0.00 C ATOM 0 H PHE A 68 -24.758 -9.303 -4.593 1.00 0.00 H new ATOM 0 HA PHE A 68 -24.725 -11.680 -6.322 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -22.773 -10.553 -4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.490 -12.015 -5.173 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -23.031 -11.483 -7.909 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.502 -8.728 -5.023 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -22.013 -10.153 -9.704 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -20.488 -7.406 -6.827 1.00 0.00 H new ATOM 0 HZ PHE A 68 -20.750 -8.111 -9.167 1.00 0.00 H new ATOM 761 N ALA A 69 -25.879 -11.754 -3.359 1.00 0.00 N ATOM 762 CA ALA A 69 -26.544 -12.598 -2.350 1.00 0.00 C ATOM 763 C ALA A 69 -27.497 -13.596 -3.047 1.00 0.00 C ATOM 764 O ALA A 69 -28.560 -13.211 -3.546 1.00 0.00 O ATOM 765 CB ALA A 69 -27.298 -11.712 -1.343 1.00 0.00 C ATOM 0 H ALA A 69 -26.133 -10.768 -3.300 1.00 0.00 H new ATOM 0 HA ALA A 69 -25.797 -13.171 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.787 -12.341 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -26.593 -11.045 -0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.048 -11.121 -1.869 1.00 0.00 H new ATOM 771 N GLY A 70 -27.068 -14.868 -3.127 1.00 0.00 N ATOM 772 CA GLY A 70 -27.798 -15.921 -3.851 1.00 0.00 C ATOM 773 C GLY A 70 -26.894 -16.633 -4.841 1.00 0.00 C ATOM 774 O GLY A 70 -27.058 -17.826 -5.113 1.00 0.00 O ATOM 0 H GLY A 70 -26.205 -15.194 -2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.202 -16.642 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -28.646 -15.483 -4.378 1.00 0.00 H new ATOM 778 N GLU A 71 -25.935 -15.874 -5.386 1.00 0.00 N ATOM 779 CA GLU A 71 -24.896 -16.402 -6.285 1.00 0.00 C ATOM 780 C GLU A 71 -23.816 -17.128 -5.459 1.00 0.00 C ATOM 781 O GLU A 71 -23.602 -16.785 -4.288 1.00 0.00 O ATOM 782 CB GLU A 71 -24.271 -15.235 -7.106 1.00 0.00 C ATOM 783 CG GLU A 71 -23.210 -15.649 -8.150 1.00 0.00 C ATOM 784 CD GLU A 71 -23.760 -16.564 -9.250 1.00 0.00 C ATOM 785 OE1 GLU A 71 -24.291 -16.041 -10.250 1.00 0.00 O ATOM 786 OE2 GLU A 71 -23.684 -17.808 -9.107 1.00 0.00 O ATOM 0 H GLU A 71 -25.856 -14.871 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.340 -17.116 -6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.073 -14.705 -7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -23.816 -14.529 -6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -22.794 -14.752 -8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.390 -16.157 -7.642 1.00 0.00 H new ATOM 793 N ASP A 72 -23.158 -18.139 -6.071 1.00 0.00 N ATOM 794 CA ASP A 72 -21.981 -18.814 -5.479 1.00 0.00 C ATOM 795 C ASP A 72 -20.909 -17.754 -5.148 1.00 0.00 C ATOM 796 O ASP A 72 -20.563 -16.977 -6.031 1.00 0.00 O ATOM 797 CB ASP A 72 -21.406 -19.856 -6.471 1.00 0.00 C ATOM 798 CG ASP A 72 -20.112 -20.551 -5.976 1.00 0.00 C ATOM 799 OD1 ASP A 72 -20.208 -21.576 -5.265 1.00 0.00 O ATOM 800 OD2 ASP A 72 -18.996 -20.072 -6.284 1.00 0.00 O ATOM 0 H ASP A 72 -23.426 -18.508 -6.983 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.280 -19.333 -4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -22.163 -20.616 -6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.201 -19.363 -7.421 1.00 0.00 H new ATOM 805 N PRO A 73 -20.369 -17.716 -3.888 1.00 0.00 N ATOM 806 CA PRO A 73 -19.487 -16.610 -3.420 1.00 0.00 C ATOM 807 C PRO A 73 -18.214 -16.408 -4.287 1.00 0.00 C ATOM 808 O PRO A 73 -17.734 -15.281 -4.423 1.00 0.00 O ATOM 809 CB PRO A 73 -19.134 -17.022 -1.964 1.00 0.00 C ATOM 810 CG PRO A 73 -19.386 -18.502 -1.913 1.00 0.00 C ATOM 811 CD PRO A 73 -20.564 -18.740 -2.821 1.00 0.00 C ATOM 0 HA PRO A 73 -19.988 -15.644 -3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.096 -16.789 -1.728 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.753 -16.490 -1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.512 -19.061 -2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.602 -18.829 -0.896 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.565 -19.752 -3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.511 -18.605 -2.299 1.00 0.00 H new ATOM 819 N VAL A 74 -17.687 -17.506 -4.872 1.00 0.00 N ATOM 820 CA VAL A 74 -16.485 -17.462 -5.742 1.00 0.00 C ATOM 821 C VAL A 74 -16.851 -16.881 -7.122 1.00 0.00 C ATOM 822 O VAL A 74 -16.212 -15.941 -7.597 1.00 0.00 O ATOM 823 CB VAL A 74 -15.831 -18.887 -5.898 1.00 0.00 C ATOM 824 CG1 VAL A 74 -14.519 -18.827 -6.719 1.00 0.00 C ATOM 825 CG2 VAL A 74 -15.592 -19.534 -4.510 1.00 0.00 C ATOM 0 H VAL A 74 -18.077 -18.442 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.749 -16.813 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 74 -16.530 -19.514 -6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.098 -19.829 -6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.730 -18.435 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -13.805 -18.175 -6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.140 -20.517 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.924 -18.902 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.543 -19.638 -3.988 1.00 0.00 H new ATOM 835 N VAL A 75 -17.924 -17.443 -7.723 1.00 0.00 N ATOM 836 CA VAL A 75 -18.475 -16.996 -9.030 1.00 0.00 C ATOM 837 C VAL A 75 -18.891 -15.503 -8.977 1.00 0.00 C ATOM 838 O VAL A 75 -18.718 -14.747 -9.948 1.00 0.00 O ATOM 839 CB VAL A 75 -19.698 -17.902 -9.462 1.00 0.00 C ATOM 840 CG1 VAL A 75 -20.400 -17.388 -10.748 1.00 0.00 C ATOM 841 CG2 VAL A 75 -19.247 -19.377 -9.638 1.00 0.00 C ATOM 0 H VAL A 75 -18.438 -18.224 -7.315 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.690 -17.101 -9.779 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.433 -17.846 -8.659 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -21.231 -18.048 -10.997 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.776 -16.379 -10.579 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.687 -17.376 -11.572 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.101 -19.986 -9.935 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -18.477 -19.433 -10.407 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -18.846 -19.750 -8.695 1.00 0.00 H new ATOM 851 N ALA A 76 -19.393 -15.103 -7.804 1.00 0.00 N ATOM 852 CA ALA A 76 -19.849 -13.736 -7.511 1.00 0.00 C ATOM 853 C ALA A 76 -18.662 -12.776 -7.356 1.00 0.00 C ATOM 854 O ALA A 76 -18.750 -11.604 -7.729 1.00 0.00 O ATOM 855 CB ALA A 76 -20.701 -13.747 -6.236 1.00 0.00 C ATOM 0 H ALA A 76 -19.497 -15.735 -7.011 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.451 -13.381 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.040 -12.735 -6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.565 -14.396 -6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.104 -14.118 -5.403 1.00 0.00 H new ATOM 861 N LEU A 77 -17.559 -13.294 -6.791 1.00 0.00 N ATOM 862 CA LEU A 77 -16.322 -12.524 -6.565 1.00 0.00 C ATOM 863 C LEU A 77 -15.618 -12.254 -7.912 1.00 0.00 C ATOM 864 O LEU A 77 -15.041 -11.185 -8.108 1.00 0.00 O ATOM 865 CB LEU A 77 -15.415 -13.289 -5.553 1.00 0.00 C ATOM 866 CG LEU A 77 -14.360 -12.436 -4.761 1.00 0.00 C ATOM 867 CD1 LEU A 77 -13.927 -13.148 -3.465 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.122 -12.066 -5.615 1.00 0.00 C ATOM 0 H LEU A 77 -17.499 -14.262 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.552 -11.552 -6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.060 -13.789 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.882 -14.069 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.858 -11.502 -4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.197 -12.533 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.797 -13.304 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.480 -14.111 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.429 -11.477 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.627 -12.977 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.438 -11.483 -6.480 1.00 0.00 H new ATOM 880 N GLU A 78 -15.695 -13.231 -8.832 1.00 0.00 N ATOM 881 CA GLU A 78 -15.172 -13.097 -10.207 1.00 0.00 C ATOM 882 C GLU A 78 -15.982 -12.042 -10.989 1.00 0.00 C ATOM 883 O GLU A 78 -15.415 -11.241 -11.737 1.00 0.00 O ATOM 884 CB GLU A 78 -15.239 -14.460 -10.931 1.00 0.00 C ATOM 885 CG GLU A 78 -14.405 -15.574 -10.277 1.00 0.00 C ATOM 886 CD GLU A 78 -14.597 -16.938 -10.954 1.00 0.00 C ATOM 887 OE1 GLU A 78 -13.876 -17.228 -11.930 1.00 0.00 O ATOM 888 OE2 GLU A 78 -15.496 -17.701 -10.538 1.00 0.00 O ATOM 0 H GLU A 78 -16.122 -14.138 -8.645 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.133 -12.771 -10.157 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.279 -14.782 -10.976 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.902 -14.327 -11.959 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.350 -15.301 -10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.677 -15.655 -9.225 1.00 0.00 H new ATOM 895 N ALA A 79 -17.314 -12.063 -10.789 1.00 0.00 N ATOM 896 CA ALA A 79 -18.244 -11.079 -11.375 1.00 0.00 C ATOM 897 C ALA A 79 -18.008 -9.681 -10.769 1.00 0.00 C ATOM 898 O ALA A 79 -18.171 -8.658 -11.446 1.00 0.00 O ATOM 899 CB ALA A 79 -19.697 -11.535 -11.152 1.00 0.00 C ATOM 0 H ALA A 79 -17.777 -12.767 -10.214 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.060 -11.014 -12.447 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.379 -10.804 -11.587 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.852 -12.503 -11.628 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.891 -11.621 -10.083 1.00 0.00 H new ATOM 905 N ALA A 80 -17.614 -9.660 -9.485 1.00 0.00 N ATOM 906 CA ALA A 80 -17.300 -8.420 -8.758 1.00 0.00 C ATOM 907 C ALA A 80 -15.992 -7.796 -9.277 1.00 0.00 C ATOM 908 O ALA A 80 -15.904 -6.584 -9.441 1.00 0.00 O ATOM 909 CB ALA A 80 -17.233 -8.688 -7.253 1.00 0.00 C ATOM 0 H ALA A 80 -17.504 -10.503 -8.922 1.00 0.00 H new ATOM 0 HA ALA A 80 -18.099 -7.700 -8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -17.000 -7.761 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.194 -9.068 -6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.457 -9.426 -7.049 1.00 0.00 H new ATOM 915 N LEU A 81 -14.986 -8.651 -9.548 1.00 0.00 N ATOM 916 CA LEU A 81 -13.715 -8.234 -10.181 1.00 0.00 C ATOM 917 C LEU A 81 -13.957 -7.727 -11.614 1.00 0.00 C ATOM 918 O LEU A 81 -13.312 -6.774 -12.064 1.00 0.00 O ATOM 919 CB LEU A 81 -12.692 -9.405 -10.190 1.00 0.00 C ATOM 920 CG LEU A 81 -12.011 -9.725 -8.822 1.00 0.00 C ATOM 921 CD1 LEU A 81 -11.174 -11.016 -8.900 1.00 0.00 C ATOM 922 CD2 LEU A 81 -11.145 -8.535 -8.347 1.00 0.00 C ATOM 0 H LEU A 81 -15.029 -9.648 -9.336 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.300 -7.417 -9.591 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.200 -10.303 -10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.913 -9.176 -10.917 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.801 -9.887 -8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.713 -11.210 -7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.819 -11.852 -9.169 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.396 -10.900 -9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.681 -8.781 -7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.370 -8.331 -9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.773 -7.652 -8.228 1.00 0.00 H new ATOM 934 N GLN A 82 -14.905 -8.378 -12.307 1.00 0.00 N ATOM 935 CA GLN A 82 -15.275 -8.046 -13.694 1.00 0.00 C ATOM 936 C GLN A 82 -15.919 -6.642 -13.777 1.00 0.00 C ATOM 937 O GLN A 82 -15.679 -5.891 -14.738 1.00 0.00 O ATOM 938 CB GLN A 82 -16.237 -9.132 -14.250 1.00 0.00 C ATOM 939 CG GLN A 82 -16.712 -8.916 -15.703 1.00 0.00 C ATOM 940 CD GLN A 82 -17.675 -9.995 -16.212 1.00 0.00 C ATOM 941 OE1 GLN A 82 -18.412 -10.613 -15.443 1.00 0.00 O ATOM 942 NE2 GLN A 82 -17.686 -10.217 -17.517 1.00 0.00 N ATOM 0 H GLN A 82 -15.440 -9.155 -11.919 1.00 0.00 H new ATOM 0 HA GLN A 82 -14.372 -8.027 -14.304 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.739 -10.100 -14.189 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -17.113 -9.183 -13.603 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.201 -7.945 -15.774 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -15.841 -8.883 -16.358 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.064 -9.689 -18.129 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -18.317 -10.916 -17.910 1.00 0.00 H new ATOM 951 N PHE A 83 -16.717 -6.283 -12.752 1.00 0.00 N ATOM 952 CA PHE A 83 -17.454 -5.007 -12.726 1.00 0.00 C ATOM 953 C PHE A 83 -16.648 -3.955 -11.929 1.00 0.00 C ATOM 954 O PHE A 83 -16.198 -4.215 -10.811 1.00 0.00 O ATOM 955 CB PHE A 83 -18.866 -5.227 -12.130 1.00 0.00 C ATOM 956 CG PHE A 83 -19.851 -4.086 -12.398 1.00 0.00 C ATOM 957 CD1 PHE A 83 -19.960 -3.002 -11.531 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.668 -4.104 -13.533 1.00 0.00 C ATOM 959 CE1 PHE A 83 -20.853 -1.976 -11.789 1.00 0.00 C ATOM 960 CE2 PHE A 83 -21.558 -3.077 -13.785 1.00 0.00 C ATOM 961 CZ PHE A 83 -21.649 -2.014 -12.913 1.00 0.00 C ATOM 0 H PHE A 83 -16.867 -6.864 -11.927 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.580 -4.630 -13.741 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.279 -6.150 -12.537 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.775 -5.366 -11.053 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.341 -2.961 -10.647 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.602 -4.933 -14.223 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -20.926 -1.142 -11.106 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -22.182 -3.108 -14.666 1.00 0.00 H new ATOM 0 HZ PHE A 83 -22.344 -1.211 -13.110 1.00 0.00 H new ATOM 971 N GLU A 84 -16.512 -2.757 -12.515 1.00 0.00 N ATOM 972 CA GLU A 84 -15.583 -1.705 -12.049 1.00 0.00 C ATOM 973 C GLU A 84 -15.951 -1.141 -10.665 1.00 0.00 C ATOM 974 O GLU A 84 -15.065 -0.846 -9.856 1.00 0.00 O ATOM 975 CB GLU A 84 -15.531 -0.580 -13.107 1.00 0.00 C ATOM 976 CG GLU A 84 -16.877 0.137 -13.361 1.00 0.00 C ATOM 977 CD GLU A 84 -16.849 1.048 -14.595 1.00 0.00 C ATOM 978 OE1 GLU A 84 -16.402 2.210 -14.478 1.00 0.00 O ATOM 979 OE2 GLU A 84 -17.270 0.601 -15.687 1.00 0.00 O ATOM 0 H GLU A 84 -17.049 -2.483 -13.338 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.598 -2.157 -11.930 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.795 0.160 -12.793 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.177 -1.002 -14.048 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.662 -0.609 -13.485 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.137 0.730 -12.484 1.00 0.00 H new ATOM 986 N ASP A 85 -17.255 -1.014 -10.400 1.00 0.00 N ATOM 987 CA ASP A 85 -17.760 -0.438 -9.139 1.00 0.00 C ATOM 988 C ASP A 85 -17.606 -1.432 -7.977 1.00 0.00 C ATOM 989 O ASP A 85 -17.401 -1.029 -6.835 1.00 0.00 O ATOM 990 CB ASP A 85 -19.243 -0.021 -9.289 1.00 0.00 C ATOM 991 CG ASP A 85 -19.834 0.638 -8.023 1.00 0.00 C ATOM 992 OD1 ASP A 85 -19.662 1.863 -7.848 1.00 0.00 O ATOM 993 OD2 ASP A 85 -20.470 -0.062 -7.198 1.00 0.00 O ATOM 0 H ASP A 85 -17.990 -1.304 -11.045 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.165 0.447 -8.914 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.333 0.673 -10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.835 -0.901 -9.540 1.00 0.00 H new ATOM 998 N THR A 86 -17.715 -2.731 -8.281 1.00 0.00 N ATOM 999 CA THR A 86 -17.755 -3.789 -7.260 1.00 0.00 C ATOM 1000 C THR A 86 -16.358 -4.399 -6.952 1.00 0.00 C ATOM 1001 O THR A 86 -16.211 -5.139 -5.965 1.00 0.00 O ATOM 1002 CB THR A 86 -18.769 -4.905 -7.687 1.00 0.00 C ATOM 1003 OG1 THR A 86 -18.462 -5.362 -9.004 1.00 0.00 O ATOM 1004 CG2 THR A 86 -20.234 -4.411 -7.658 1.00 0.00 C ATOM 0 H THR A 86 -17.778 -3.079 -9.238 1.00 0.00 H new ATOM 0 HA THR A 86 -18.091 -3.325 -6.333 1.00 0.00 H new ATOM 0 HB THR A 86 -18.672 -5.717 -6.966 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.531 -5.666 -9.036 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.897 -5.221 -7.962 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.490 -4.092 -6.648 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.349 -3.572 -8.344 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.330 -4.076 -7.774 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.965 -4.673 -7.628 1.00 0.00 C ATOM 1014 C ARG A 87 -13.147 -4.027 -6.488 1.00 0.00 C ATOM 1015 O ARG A 87 -12.135 -4.585 -6.049 1.00 0.00 O ATOM 1016 CB ARG A 87 -13.183 -4.606 -8.972 1.00 0.00 C ATOM 1017 CG ARG A 87 -12.918 -3.184 -9.496 1.00 0.00 C ATOM 1018 CD ARG A 87 -12.180 -3.169 -10.848 1.00 0.00 C ATOM 1019 NE ARG A 87 -12.027 -1.797 -11.378 1.00 0.00 N ATOM 1020 CZ ARG A 87 -11.473 -1.476 -12.562 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -10.984 -2.412 -13.372 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -11.418 -0.206 -12.939 1.00 0.00 N ATOM 0 H ARG A 87 -15.412 -3.410 -8.543 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.111 -5.719 -7.357 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.227 -5.115 -8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.741 -5.158 -9.728 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.867 -2.658 -9.601 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.329 -2.636 -8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.197 -3.624 -10.730 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.728 -3.777 -11.568 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.370 -1.031 -10.799 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.025 -3.394 -13.100 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.568 -2.147 -14.265 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.795 0.523 -12.333 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.999 0.042 -13.835 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.596 -2.863 -6.004 1.00 0.00 N ATOM 1037 CA GLU A 88 -12.897 -2.109 -4.937 1.00 0.00 C ATOM 1038 C GLU A 88 -13.117 -2.734 -3.540 1.00 0.00 C ATOM 1039 O GLU A 88 -12.284 -2.562 -2.640 1.00 0.00 O ATOM 1040 CB GLU A 88 -13.310 -0.606 -4.998 1.00 0.00 C ATOM 1041 CG GLU A 88 -14.818 -0.325 -5.210 1.00 0.00 C ATOM 1042 CD GLU A 88 -15.707 -0.621 -3.991 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -15.690 0.173 -3.031 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -16.411 -1.658 -3.978 1.00 0.00 O ATOM 0 H GLU A 88 -14.449 -2.412 -6.334 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.823 -2.171 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.998 -0.126 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.755 -0.130 -5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.943 0.722 -5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.170 -0.922 -6.052 1.00 0.00 H new ATOM 1051 N SER A 89 -14.244 -3.447 -3.359 1.00 0.00 N ATOM 1052 CA SER A 89 -14.489 -4.241 -2.137 1.00 0.00 C ATOM 1053 C SER A 89 -13.623 -5.507 -2.140 1.00 0.00 C ATOM 1054 O SER A 89 -13.224 -5.995 -1.077 1.00 0.00 O ATOM 1055 CB SER A 89 -15.984 -4.602 -2.012 1.00 0.00 C ATOM 1056 OG SER A 89 -16.279 -5.319 -0.813 1.00 0.00 O ATOM 0 H SER A 89 -15.000 -3.491 -4.042 1.00 0.00 H new ATOM 0 HA SER A 89 -14.213 -3.637 -1.272 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.578 -3.688 -2.040 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.282 -5.202 -2.872 1.00 0.00 H new ATOM 0 HG SER A 89 -15.891 -6.218 -0.865 1.00 0.00 H new ATOM 1062 N MET A 90 -13.312 -6.020 -3.351 1.00 0.00 N ATOM 1063 CA MET A 90 -12.450 -7.207 -3.526 1.00 0.00 C ATOM 1064 C MET A 90 -11.019 -6.908 -3.040 1.00 0.00 C ATOM 1065 O MET A 90 -10.295 -7.816 -2.639 1.00 0.00 O ATOM 1066 CB MET A 90 -12.424 -7.672 -5.002 1.00 0.00 C ATOM 1067 CG MET A 90 -13.794 -7.944 -5.647 1.00 0.00 C ATOM 1068 SD MET A 90 -14.825 -9.089 -4.703 1.00 0.00 S ATOM 1069 CE MET A 90 -15.979 -7.987 -3.886 1.00 0.00 C ATOM 0 H MET A 90 -13.650 -5.625 -4.229 1.00 0.00 H new ATOM 0 HA MET A 90 -12.869 -8.014 -2.925 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.911 -6.913 -5.592 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.828 -8.582 -5.065 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.326 -7.000 -5.762 1.00 0.00 H new ATOM 0 HG3 MET A 90 -13.641 -8.347 -6.648 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.700 -8.573 -3.316 1.00 0.00 H new ATOM 0 HE2 MET A 90 -15.435 -7.326 -3.211 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.504 -7.391 -4.633 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.642 -5.613 -3.077 1.00 0.00 N ATOM 1080 CA HIS A 91 -9.355 -5.117 -2.542 1.00 0.00 C ATOM 1081 C HIS A 91 -9.240 -5.421 -1.031 1.00 0.00 C ATOM 1082 O HIS A 91 -8.161 -5.761 -0.530 1.00 0.00 O ATOM 1083 CB HIS A 91 -9.245 -3.592 -2.802 1.00 0.00 C ATOM 1084 CG HIS A 91 -7.890 -2.994 -2.516 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -7.496 -2.566 -1.265 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -6.843 -2.740 -3.338 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -6.268 -2.091 -1.328 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -5.847 -2.183 -2.575 1.00 0.00 N ATOM 0 H HIS A 91 -11.223 -4.878 -3.480 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.536 -5.627 -3.049 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.499 -3.397 -3.844 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -9.988 -3.080 -2.191 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.800 -2.939 -4.399 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.702 -1.693 -0.499 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.932 -1.889 -2.916 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.384 -5.311 -0.326 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.474 -5.594 1.118 1.00 0.00 C ATOM 1099 C ALA A 92 -10.455 -7.109 1.408 1.00 0.00 C ATOM 1100 O ALA A 92 -9.948 -7.533 2.448 1.00 0.00 O ATOM 1101 CB ALA A 92 -11.736 -4.952 1.710 1.00 0.00 C ATOM 0 H ALA A 92 -11.270 -5.024 -0.742 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.596 -5.158 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.789 -5.170 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.699 -3.873 1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.618 -5.357 1.213 1.00 0.00 H new ATOM 1107 N PHE A 93 -11.024 -7.921 0.493 1.00 0.00 N ATOM 1108 CA PHE A 93 -11.012 -9.398 0.629 1.00 0.00 C ATOM 1109 C PHE A 93 -9.651 -9.980 0.227 1.00 0.00 C ATOM 1110 O PHE A 93 -9.284 -11.065 0.684 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.137 -10.048 -0.218 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.524 -9.573 0.180 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -14.000 -9.781 1.471 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.339 -8.897 -0.718 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.242 -9.321 1.843 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.580 -8.434 -0.338 1.00 0.00 C ATOM 1117 CZ PHE A 93 -16.032 -8.650 0.937 1.00 0.00 C ATOM 0 H PHE A 93 -11.496 -7.584 -0.346 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.192 -9.628 1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.969 -9.822 -1.271 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.085 -11.132 -0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.388 -10.309 2.188 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -13.996 -8.732 -1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -15.598 -9.487 2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.197 -7.900 -1.046 1.00 0.00 H new ATOM 0 HZ PHE A 93 -17.008 -8.294 1.231 1.00 0.00 H new ATOM 1127 N CYS A 94 -8.906 -9.236 -0.616 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.581 -9.650 -1.086 1.00 0.00 C ATOM 1129 C CYS A 94 -6.588 -9.560 0.076 1.00 0.00 C ATOM 1130 O CYS A 94 -6.089 -8.476 0.399 1.00 0.00 O ATOM 1131 CB CYS A 94 -7.115 -8.790 -2.285 1.00 0.00 C ATOM 1132 SG CYS A 94 -5.589 -9.376 -3.057 1.00 0.00 S ATOM 0 H CYS A 94 -9.210 -8.335 -0.985 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.633 -10.681 -1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -7.906 -8.771 -3.035 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -6.970 -7.763 -1.949 1.00 0.00 H new ATOM 0 HG CYS A 94 -5.232 -10.501 -2.513 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.381 -10.704 0.750 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.413 -10.834 1.850 1.00 0.00 C ATOM 1140 C VAL A 95 -3.967 -10.780 1.300 1.00 0.00 C ATOM 1141 O VAL A 95 -3.025 -10.447 2.024 1.00 0.00 O ATOM 1142 CB VAL A 95 -5.661 -12.157 2.679 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -7.085 -12.172 3.305 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -5.422 -13.425 1.821 1.00 0.00 C ATOM 0 H VAL A 95 -6.883 -11.568 0.545 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.553 -9.994 2.531 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.934 -12.168 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.225 -13.094 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.198 -11.318 3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.831 -12.114 2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.603 -14.313 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.102 -13.422 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.393 -13.433 1.463 1.00 0.00 H new ATOM 1154 N GLY A 96 -3.825 -11.108 -0.003 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.553 -11.001 -0.705 1.00 0.00 C ATOM 1156 C GLY A 96 -2.580 -11.656 -2.082 1.00 0.00 C ATOM 1157 O GLY A 96 -3.649 -11.855 -2.658 1.00 0.00 O ATOM 0 H GLY A 96 -4.591 -11.451 -0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.291 -9.949 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.771 -11.464 -0.103 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.382 -11.955 -2.608 1.00 0.00 N ATOM 1162 CA GLN A 97 -1.180 -12.667 -3.888 1.00 0.00 C ATOM 1163 C GLN A 97 -0.938 -14.155 -3.603 1.00 0.00 C ATOM 1164 O GLN A 97 -0.325 -14.491 -2.590 1.00 0.00 O ATOM 1165 CB GLN A 97 0.049 -12.079 -4.641 1.00 0.00 C ATOM 1166 CG GLN A 97 0.365 -12.739 -5.993 1.00 0.00 C ATOM 1167 CD GLN A 97 1.626 -12.192 -6.655 1.00 0.00 C ATOM 1168 OE1 GLN A 97 1.573 -11.207 -7.388 1.00 0.00 O ATOM 1169 NE2 GLN A 97 2.767 -12.821 -6.401 1.00 0.00 N ATOM 0 H GLN A 97 -0.506 -11.705 -2.149 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.067 -12.546 -4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.121 -11.015 -4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.925 -12.167 -3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.477 -13.813 -5.847 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.481 -12.595 -6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.775 -13.636 -5.788 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.636 -12.489 -6.819 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.413 -15.034 -4.494 1.00 0.00 N ATOM 1179 CA TYR A 98 -1.125 -16.464 -4.408 1.00 0.00 C ATOM 1180 C TYR A 98 0.269 -16.750 -4.977 1.00 0.00 C ATOM 1181 O TYR A 98 0.495 -16.641 -6.191 1.00 0.00 O ATOM 1182 CB TYR A 98 -2.189 -17.312 -5.137 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.963 -18.823 -4.965 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -2.060 -19.420 -3.704 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.636 -19.645 -6.049 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -1.834 -20.771 -3.538 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -1.416 -20.994 -5.878 1.00 0.00 C ATOM 1188 CZ TYR A 98 -1.519 -21.553 -4.627 1.00 0.00 C ATOM 1189 OH TYR A 98 -1.307 -22.902 -4.460 1.00 0.00 O ATOM 0 H TYR A 98 -2.001 -14.774 -5.286 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.152 -16.747 -3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.177 -17.051 -4.759 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.179 -17.066 -6.199 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.316 -18.814 -2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.555 -19.215 -7.036 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.904 -21.214 -2.556 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.163 -21.612 -6.727 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.096 -23.310 -5.326 1.00 0.00 H new ATOM 1199 N LEU A 99 1.200 -17.081 -4.083 1.00 0.00 N ATOM 1200 CA LEU A 99 2.549 -17.508 -4.443 1.00 0.00 C ATOM 1201 C LEU A 99 2.557 -19.041 -4.549 1.00 0.00 C ATOM 1202 O LEU A 99 2.332 -19.742 -3.558 1.00 0.00 O ATOM 1203 CB LEU A 99 3.562 -16.970 -3.386 1.00 0.00 C ATOM 1204 CG LEU A 99 5.098 -17.064 -3.716 1.00 0.00 C ATOM 1205 CD1 LEU A 99 5.686 -18.462 -3.447 1.00 0.00 C ATOM 1206 CD2 LEU A 99 5.393 -16.596 -5.160 1.00 0.00 C ATOM 0 H LEU A 99 1.035 -17.059 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 99 2.853 -17.102 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.325 -15.923 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.388 -17.507 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 99 5.602 -16.383 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.748 -18.464 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.557 -18.714 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.169 -19.199 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.462 -16.673 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.848 -17.225 -5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.076 -15.560 -5.278 1.00 0.00 H new ATOM 1218 N GLU A 100 2.785 -19.549 -5.763 1.00 0.00 N ATOM 1219 CA GLU A 100 2.942 -20.994 -6.006 1.00 0.00 C ATOM 1220 C GLU A 100 4.392 -21.394 -5.617 1.00 0.00 C ATOM 1221 O GLU A 100 5.302 -20.598 -5.860 1.00 0.00 O ATOM 1222 CB GLU A 100 2.659 -21.318 -7.501 1.00 0.00 C ATOM 1223 CG GLU A 100 2.547 -22.821 -7.820 1.00 0.00 C ATOM 1224 CD GLU A 100 2.455 -23.118 -9.320 1.00 0.00 C ATOM 1225 OE1 GLU A 100 1.431 -22.770 -9.942 1.00 0.00 O ATOM 1226 OE2 GLU A 100 3.412 -23.684 -9.890 1.00 0.00 O ATOM 0 H GLU A 100 2.866 -18.978 -6.604 1.00 0.00 H new ATOM 0 HA GLU A 100 2.232 -21.561 -5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.732 -20.827 -7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 100 3.455 -20.889 -8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 100 3.413 -23.338 -7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.666 -23.226 -7.322 1.00 0.00 H new ATOM 1233 N PRO A 101 4.628 -22.597 -4.971 1.00 0.00 N ATOM 1234 CA PRO A 101 5.981 -23.081 -4.556 1.00 0.00 C ATOM 1235 C PRO A 101 7.118 -22.784 -5.577 1.00 0.00 C ATOM 1236 O PRO A 101 8.143 -22.188 -5.219 1.00 0.00 O ATOM 1237 CB PRO A 101 5.775 -24.621 -4.349 1.00 0.00 C ATOM 1238 CG PRO A 101 4.311 -24.885 -4.633 1.00 0.00 C ATOM 1239 CD PRO A 101 3.605 -23.555 -4.514 1.00 0.00 C ATOM 0 HA PRO A 101 6.322 -22.559 -3.662 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.413 -25.194 -5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 101 6.035 -24.917 -3.333 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.179 -25.307 -5.629 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.902 -25.606 -3.925 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.709 -23.516 -5.134 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.292 -23.354 -3.489 1.00 0.00 H new ATOM 1247 N ASP A 102 6.894 -23.157 -6.853 1.00 0.00 N ATOM 1248 CA ASP A 102 7.913 -23.041 -7.927 1.00 0.00 C ATOM 1249 C ASP A 102 7.632 -21.823 -8.857 1.00 0.00 C ATOM 1250 O ASP A 102 8.083 -21.777 -10.006 1.00 0.00 O ATOM 1251 CB ASP A 102 7.975 -24.387 -8.723 1.00 0.00 C ATOM 1252 CG ASP A 102 9.192 -24.496 -9.661 1.00 0.00 C ATOM 1253 OD1 ASP A 102 10.337 -24.380 -9.169 1.00 0.00 O ATOM 1254 OD2 ASP A 102 9.019 -24.665 -10.885 1.00 0.00 O ATOM 0 H ASP A 102 6.007 -23.546 -7.172 1.00 0.00 H new ATOM 0 HA ASP A 102 8.888 -22.857 -7.476 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.997 -25.216 -8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.063 -24.493 -9.311 1.00 0.00 H new ATOM 1259 N GLN A 103 6.888 -20.821 -8.343 1.00 0.00 N ATOM 1260 CA GLN A 103 6.634 -19.551 -9.070 1.00 0.00 C ATOM 1261 C GLN A 103 7.842 -18.600 -8.915 1.00 0.00 C ATOM 1262 O GLN A 103 8.110 -17.757 -9.789 1.00 0.00 O ATOM 1263 CB GLN A 103 5.323 -18.885 -8.563 1.00 0.00 C ATOM 1264 CG GLN A 103 4.917 -17.586 -9.296 1.00 0.00 C ATOM 1265 CD GLN A 103 4.718 -17.743 -10.814 1.00 0.00 C ATOM 1266 OE1 GLN A 103 4.997 -16.820 -11.584 1.00 0.00 O ATOM 1267 NE2 GLN A 103 4.193 -18.883 -11.267 1.00 0.00 N ATOM 0 H GLN A 103 6.449 -20.864 -7.423 1.00 0.00 H new ATOM 0 HA GLN A 103 6.507 -19.769 -10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.510 -19.605 -8.656 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.434 -18.664 -7.501 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.992 -17.211 -8.858 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.682 -16.830 -9.119 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.969 -19.635 -10.616 1.00 0.00 H new ATOM 0 HE22 GLN A 103 4.016 -19.002 -12.264 1.00 0.00 H new