USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 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 136:sc= 0.233 USER MOD Single : A 33 ASN : amide:sc= 0.625 K(o=0.62,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.937 K(o=-0.94,f=0.26) USER MOD Single : A 35 ASN : amide:sc= -0.0981 K(o=-0.098,f=-4.1!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 42 THR OG1 : rot -170:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0267 (180deg=-0.23) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.776 K(o=-0.78,f=-0.018) USER MOD Single : A 56 THR OG1 : rot 74:sc= 0.527 USER MOD Single : A 57 GLN : amide:sc= -0.0134 X(o=-0.013,f=-0.013) USER MOD Single : A 58 SER OG : rot -5:sc= 0.696 USER MOD Single : A 60 THR OG1 : rot 88:sc= 0.356 USER MOD Single : A 62 ASN : amide:sc= -2.48! K(o=-2.5!,f=-0.91) USER MOD Single : A 63 SER OG : rot -98:sc= 0.729 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.041) USER MOD Single : A 86 THR OG1 : rot 75:sc= -0.597! USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -149:sc= -0.25 (180deg=-1.06) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0149 K(o=-0.015,f=-2.1!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.0238 X(o=-0.024,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 1.551 -9.336 0.266 1.00 0.00 N ATOM 55 CA THR A 24 1.693 -10.573 1.032 1.00 0.00 C ATOM 56 C THR A 24 1.525 -11.784 0.093 1.00 0.00 C ATOM 57 O THR A 24 0.424 -12.071 -0.389 1.00 0.00 O ATOM 58 CB THR A 24 0.651 -10.613 2.210 1.00 0.00 C ATOM 59 OG1 THR A 24 -0.662 -10.282 1.721 1.00 0.00 O ATOM 60 CG2 THR A 24 1.027 -9.631 3.336 1.00 0.00 C ATOM 0 HA THR A 24 2.689 -10.613 1.473 1.00 0.00 H new ATOM 0 HB THR A 24 0.657 -11.625 2.615 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.319 -10.899 2.105 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.284 -9.688 4.131 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.007 -9.893 3.735 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.057 -8.616 2.939 1.00 0.00 H new ATOM 68 N LEU A 25 2.647 -12.470 -0.178 1.00 0.00 N ATOM 69 CA LEU A 25 2.670 -13.676 -1.011 1.00 0.00 C ATOM 70 C LEU A 25 2.258 -14.875 -0.151 1.00 0.00 C ATOM 71 O LEU A 25 2.928 -15.211 0.831 1.00 0.00 O ATOM 72 CB LEU A 25 4.074 -13.886 -1.648 1.00 0.00 C ATOM 73 CG LEU A 25 4.508 -12.811 -2.702 1.00 0.00 C ATOM 74 CD1 LEU A 25 5.896 -13.134 -3.302 1.00 0.00 C ATOM 75 CD2 LEU A 25 3.443 -12.642 -3.815 1.00 0.00 C ATOM 0 H LEU A 25 3.564 -12.200 0.177 1.00 0.00 H new ATOM 0 HA LEU A 25 1.964 -13.568 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.816 -13.906 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.093 -14.866 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 25 4.589 -11.859 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.165 -12.368 -4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.640 -13.156 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.862 -14.106 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.778 -11.889 -4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.302 -13.592 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.499 -12.326 -3.370 1.00 0.00 H new ATOM 87 N VAL A 26 1.145 -15.502 -0.529 1.00 0.00 N ATOM 88 CA VAL A 26 0.545 -16.603 0.214 1.00 0.00 C ATOM 89 C VAL A 26 1.097 -17.918 -0.337 1.00 0.00 C ATOM 90 O VAL A 26 1.031 -18.172 -1.547 1.00 0.00 O ATOM 91 CB VAL A 26 -1.027 -16.573 0.095 1.00 0.00 C ATOM 92 CG1 VAL A 26 -1.688 -17.763 0.842 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.599 -15.210 0.579 1.00 0.00 C ATOM 0 H VAL A 26 0.629 -15.254 -1.373 1.00 0.00 H new ATOM 0 HA VAL A 26 0.796 -16.507 1.270 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.275 -16.684 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.771 -17.704 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.332 -18.702 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.426 -17.720 1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.685 -15.217 0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.325 -15.050 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.188 -14.406 -0.031 1.00 0.00 H new ATOM 103 N ARG A 27 1.656 -18.729 0.571 1.00 0.00 N ATOM 104 CA ARG A 27 2.202 -20.056 0.246 1.00 0.00 C ATOM 105 C ARG A 27 1.038 -20.985 -0.141 1.00 0.00 C ATOM 106 O ARG A 27 -0.091 -20.766 0.317 1.00 0.00 O ATOM 107 CB ARG A 27 2.950 -20.634 1.482 1.00 0.00 C ATOM 108 CG ARG A 27 4.022 -19.697 2.089 1.00 0.00 C ATOM 109 CD ARG A 27 4.547 -20.201 3.450 1.00 0.00 C ATOM 110 NE ARG A 27 3.462 -20.319 4.453 1.00 0.00 N ATOM 111 CZ ARG A 27 3.417 -21.206 5.460 1.00 0.00 C ATOM 112 NH1 ARG A 27 4.436 -22.027 5.693 1.00 0.00 N ATOM 113 NH2 ARG A 27 2.353 -21.249 6.250 1.00 0.00 N ATOM 0 H ARG A 27 1.743 -18.483 1.557 1.00 0.00 H new ATOM 0 HA ARG A 27 2.905 -19.976 -0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.218 -20.873 2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.427 -21.571 1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.856 -19.606 1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.600 -18.700 2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.026 -21.171 3.317 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.311 -19.517 3.820 1.00 0.00 H new ATOM 0 HE ARG A 27 2.680 -19.669 4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.267 -21.989 5.103 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.387 -22.695 6.462 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.574 -20.610 6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.314 -21.921 7.016 1.00 0.00 H new ATOM 127 N ILE A 28 1.302 -22.001 -0.975 1.00 0.00 N ATOM 128 CA ILE A 28 0.262 -22.968 -1.389 1.00 0.00 C ATOM 129 C ILE A 28 -0.311 -23.714 -0.167 1.00 0.00 C ATOM 130 O ILE A 28 -1.521 -23.814 -0.014 1.00 0.00 O ATOM 131 CB ILE A 28 0.785 -23.995 -2.462 1.00 0.00 C ATOM 132 CG1 ILE A 28 -0.375 -24.918 -2.975 1.00 0.00 C ATOM 133 CG2 ILE A 28 1.980 -24.831 -1.931 1.00 0.00 C ATOM 134 CD1 ILE A 28 0.000 -25.815 -4.145 1.00 0.00 C ATOM 0 H ILE A 28 2.222 -22.179 -1.378 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.534 -22.390 -1.858 1.00 0.00 H new ATOM 0 HB ILE A 28 1.152 -23.417 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.716 -25.543 -2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.217 -24.291 -3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.309 -25.526 -2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.802 -24.165 -1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.669 -25.390 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.862 -26.417 -4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.311 -25.200 -4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.820 -26.471 -3.852 1.00 0.00 H new ATOM 146 N ALA A 29 0.589 -24.156 0.731 1.00 0.00 N ATOM 147 CA ALA A 29 0.222 -24.890 1.956 1.00 0.00 C ATOM 148 C ALA A 29 -0.489 -23.962 2.949 1.00 0.00 C ATOM 149 O ALA A 29 -1.356 -24.397 3.715 1.00 0.00 O ATOM 150 CB ALA A 29 1.470 -25.514 2.598 1.00 0.00 C ATOM 0 H ALA A 29 1.594 -24.014 0.627 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.466 -25.691 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.184 -26.053 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.934 -26.206 1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.179 -24.727 2.854 1.00 0.00 H new ATOM 156 N ASP A 30 -0.106 -22.672 2.917 1.00 0.00 N ATOM 157 CA ASP A 30 -0.734 -21.631 3.748 1.00 0.00 C ATOM 158 C ASP A 30 -2.177 -21.382 3.275 1.00 0.00 C ATOM 159 O ASP A 30 -3.073 -21.181 4.084 1.00 0.00 O ATOM 160 CB ASP A 30 0.075 -20.314 3.704 1.00 0.00 C ATOM 161 CG ASP A 30 -0.406 -19.272 4.734 1.00 0.00 C ATOM 162 OD1 ASP A 30 -0.099 -19.443 5.936 1.00 0.00 O ATOM 163 OD2 ASP A 30 -1.033 -18.264 4.351 1.00 0.00 O ATOM 0 H ASP A 30 0.643 -22.325 2.318 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.748 -21.982 4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.127 -20.535 3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.006 -19.886 2.704 1.00 0.00 H new ATOM 168 N LEU A 31 -2.376 -21.429 1.949 1.00 0.00 N ATOM 169 CA LEU A 31 -3.700 -21.308 1.318 1.00 0.00 C ATOM 170 C LEU A 31 -4.591 -22.507 1.713 1.00 0.00 C ATOM 171 O LEU A 31 -5.699 -22.322 2.227 1.00 0.00 O ATOM 172 CB LEU A 31 -3.541 -21.228 -0.228 1.00 0.00 C ATOM 173 CG LEU A 31 -4.862 -21.182 -1.067 1.00 0.00 C ATOM 174 CD1 LEU A 31 -5.671 -19.906 -0.776 1.00 0.00 C ATOM 175 CD2 LEU A 31 -4.577 -21.327 -2.579 1.00 0.00 C ATOM 0 H LEU A 31 -1.617 -21.553 1.279 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.181 -20.395 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.956 -20.339 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.959 -22.089 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.469 -22.034 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.581 -19.908 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.933 -19.875 0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.072 -19.030 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.516 -21.291 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.931 -20.513 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.082 -22.280 -2.766 1.00 0.00 H new ATOM 187 N GLU A 32 -4.048 -23.720 1.520 1.00 0.00 N ATOM 188 CA GLU A 32 -4.787 -24.986 1.666 1.00 0.00 C ATOM 189 C GLU A 32 -5.265 -25.225 3.109 1.00 0.00 C ATOM 190 O GLU A 32 -6.455 -25.459 3.336 1.00 0.00 O ATOM 191 CB GLU A 32 -3.919 -26.190 1.199 1.00 0.00 C ATOM 192 CG GLU A 32 -3.547 -26.178 -0.297 1.00 0.00 C ATOM 193 CD GLU A 32 -4.767 -26.053 -1.226 1.00 0.00 C ATOM 194 OE1 GLU A 32 -5.609 -26.974 -1.231 1.00 0.00 O ATOM 195 OE2 GLU A 32 -4.900 -25.029 -1.938 1.00 0.00 O ATOM 0 H GLU A 32 -3.072 -23.851 1.255 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.669 -24.904 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.001 -26.208 1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.456 -27.113 1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.867 -25.348 -0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.008 -27.094 -0.538 1.00 0.00 H new ATOM 202 N ASN A 33 -4.325 -25.160 4.072 1.00 0.00 N ATOM 203 CA ASN A 33 -4.605 -25.496 5.487 1.00 0.00 C ATOM 204 C ASN A 33 -5.417 -24.395 6.198 1.00 0.00 C ATOM 205 O ASN A 33 -6.194 -24.696 7.105 1.00 0.00 O ATOM 206 CB ASN A 33 -3.302 -25.829 6.270 1.00 0.00 C ATOM 207 CG ASN A 33 -2.638 -27.128 5.794 1.00 0.00 C ATOM 208 OD1 ASN A 33 -3.053 -28.222 6.184 1.00 0.00 O ATOM 209 ND2 ASN A 33 -1.591 -27.026 4.986 1.00 0.00 N ATOM 0 H ASN A 33 -3.361 -24.877 3.897 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.222 -26.394 5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.597 -25.005 6.161 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.533 -25.912 7.332 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.106 -27.866 4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.271 -26.107 4.680 1.00 0.00 H new ATOM 216 N HIS A 34 -5.255 -23.123 5.773 1.00 0.00 N ATOM 217 CA HIS A 34 -6.039 -21.990 6.332 1.00 0.00 C ATOM 218 C HIS A 34 -7.492 -22.072 5.827 1.00 0.00 C ATOM 219 O HIS A 34 -8.437 -21.783 6.567 1.00 0.00 O ATOM 220 CB HIS A 34 -5.392 -20.633 5.952 1.00 0.00 C ATOM 221 CG HIS A 34 -5.949 -19.423 6.663 1.00 0.00 C ATOM 222 ND1 HIS A 34 -5.250 -18.743 7.633 1.00 0.00 N ATOM 223 CD2 HIS A 34 -7.111 -18.746 6.510 1.00 0.00 C ATOM 224 CE1 HIS A 34 -5.951 -17.705 8.037 1.00 0.00 C ATOM 225 NE2 HIS A 34 -7.086 -17.689 7.372 1.00 0.00 N ATOM 0 H HIS A 34 -4.592 -22.851 5.047 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.040 -22.059 7.420 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.323 -20.691 6.155 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.505 -20.485 4.878 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.912 -18.997 5.830 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.647 -16.989 8.786 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -7.828 -16.998 7.483 1.00 0.00 H new ATOM 234 N ASN A 35 -7.639 -22.486 4.557 1.00 0.00 N ATOM 235 CA ASN A 35 -8.947 -22.754 3.924 1.00 0.00 C ATOM 236 C ASN A 35 -9.648 -23.922 4.661 1.00 0.00 C ATOM 237 O ASN A 35 -10.845 -23.871 4.968 1.00 0.00 O ATOM 238 CB ASN A 35 -8.728 -23.114 2.423 1.00 0.00 C ATOM 239 CG ASN A 35 -10.007 -23.189 1.590 1.00 0.00 C ATOM 240 OD1 ASN A 35 -10.940 -22.441 1.818 1.00 0.00 O ATOM 241 ND2 ASN A 35 -10.053 -24.088 0.616 1.00 0.00 N ATOM 0 H ASN A 35 -6.848 -22.646 3.933 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.579 -21.868 3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.065 -22.372 1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.216 -24.075 2.365 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.887 -24.167 0.033 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.255 -24.701 0.449 1.00 0.00 H new ATOM 248 N ASN A 36 -8.833 -24.951 4.968 1.00 0.00 N ATOM 249 CA ASN A 36 -9.241 -26.175 5.695 1.00 0.00 C ATOM 250 C ASN A 36 -9.583 -25.874 7.174 1.00 0.00 C ATOM 251 O ASN A 36 -10.379 -26.585 7.792 1.00 0.00 O ATOM 252 CB ASN A 36 -8.078 -27.206 5.597 1.00 0.00 C ATOM 253 CG ASN A 36 -8.297 -28.544 6.314 1.00 0.00 C ATOM 254 OD1 ASN A 36 -9.410 -29.031 6.442 1.00 0.00 O ATOM 255 ND2 ASN A 36 -7.211 -29.161 6.766 1.00 0.00 N ATOM 0 H ASN A 36 -7.846 -24.956 4.711 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.146 -26.580 5.241 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.888 -27.409 4.543 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.176 -26.745 6.000 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.295 -30.064 7.233 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.293 -28.732 6.646 1.00 0.00 H new ATOM 262 N ASP A 37 -8.977 -24.807 7.721 1.00 0.00 N ATOM 263 CA ASP A 37 -9.197 -24.368 9.117 1.00 0.00 C ATOM 264 C ASP A 37 -10.641 -23.864 9.332 1.00 0.00 C ATOM 265 O ASP A 37 -11.233 -24.084 10.391 1.00 0.00 O ATOM 266 CB ASP A 37 -8.175 -23.245 9.462 1.00 0.00 C ATOM 267 CG ASP A 37 -8.458 -22.497 10.783 1.00 0.00 C ATOM 268 OD1 ASP A 37 -8.137 -23.032 11.863 1.00 0.00 O ATOM 269 OD2 ASP A 37 -9.014 -21.371 10.743 1.00 0.00 O ATOM 0 H ASP A 37 -8.318 -24.220 7.209 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.049 -25.221 9.779 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.179 -23.684 9.515 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.162 -22.522 8.647 1.00 0.00 H new ATOM 274 N GLY A 38 -11.198 -23.216 8.302 1.00 0.00 N ATOM 275 CA GLY A 38 -12.507 -22.560 8.394 1.00 0.00 C ATOM 276 C GLY A 38 -12.441 -21.129 7.884 1.00 0.00 C ATOM 277 O GLY A 38 -13.455 -20.568 7.448 1.00 0.00 O ATOM 0 H GLY A 38 -10.757 -23.132 7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.240 -23.122 7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.847 -22.565 9.430 1.00 0.00 H new ATOM 281 N GLY A 39 -11.235 -20.526 7.974 1.00 0.00 N ATOM 282 CA GLY A 39 -10.946 -19.263 7.295 1.00 0.00 C ATOM 283 C GLY A 39 -10.874 -19.494 5.792 1.00 0.00 C ATOM 284 O GLY A 39 -9.785 -19.634 5.231 1.00 0.00 O ATOM 0 H GLY A 39 -10.453 -20.900 8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.720 -18.531 7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.003 -18.853 7.655 1.00 0.00 H new ATOM 288 N PHE A 40 -12.046 -19.537 5.142 1.00 0.00 N ATOM 289 CA PHE A 40 -12.176 -20.060 3.782 1.00 0.00 C ATOM 290 C PHE A 40 -11.609 -19.044 2.787 1.00 0.00 C ATOM 291 O PHE A 40 -12.131 -17.936 2.657 1.00 0.00 O ATOM 292 CB PHE A 40 -13.667 -20.390 3.454 1.00 0.00 C ATOM 293 CG PHE A 40 -13.854 -21.240 2.187 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.833 -20.664 0.916 1.00 0.00 C ATOM 295 CD2 PHE A 40 -14.009 -22.626 2.270 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.971 -21.434 -0.225 1.00 0.00 C ATOM 297 CE2 PHE A 40 -14.150 -23.396 1.125 1.00 0.00 C ATOM 298 CZ PHE A 40 -14.123 -22.800 -0.118 1.00 0.00 C ATOM 0 H PHE A 40 -12.924 -19.211 5.545 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.609 -20.987 3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.107 -20.917 4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.218 -19.457 3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.706 -19.596 0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.019 -23.104 3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.960 -20.966 -1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.281 -24.465 1.207 1.00 0.00 H new ATOM 0 HZ PHE A 40 -14.221 -23.404 -1.008 1.00 0.00 H new ATOM 308 N TRP A 41 -10.507 -19.443 2.137 1.00 0.00 N ATOM 309 CA TRP A 41 -9.823 -18.656 1.104 1.00 0.00 C ATOM 310 C TRP A 41 -10.078 -19.256 -0.289 1.00 0.00 C ATOM 311 O TRP A 41 -10.622 -20.361 -0.428 1.00 0.00 O ATOM 312 CB TRP A 41 -8.294 -18.594 1.394 1.00 0.00 C ATOM 313 CG TRP A 41 -7.855 -17.644 2.492 1.00 0.00 C ATOM 314 CD1 TRP A 41 -8.608 -16.722 3.167 1.00 0.00 C ATOM 315 CD2 TRP A 41 -6.522 -17.512 3.003 1.00 0.00 C ATOM 316 NE1 TRP A 41 -7.822 -16.036 4.060 1.00 0.00 N ATOM 317 CE2 TRP A 41 -6.541 -16.503 3.971 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.314 -18.158 2.727 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -5.401 -16.116 4.674 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.185 -17.779 3.425 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.235 -16.764 4.386 1.00 0.00 C ATOM 0 H TRP A 41 -10.058 -20.340 2.319 1.00 0.00 H new ATOM 0 HA TRP A 41 -10.223 -17.642 1.122 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.954 -19.597 1.653 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.783 -18.312 0.474 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.665 -16.558 3.019 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.142 -15.298 4.687 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.265 -18.939 1.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.439 -15.334 5.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.247 -18.275 3.226 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.333 -16.487 4.911 1.00 0.00 H new ATOM 332 N THR A 42 -9.646 -18.509 -1.314 1.00 0.00 N ATOM 333 CA THR A 42 -9.806 -18.877 -2.726 1.00 0.00 C ATOM 334 C THR A 42 -8.752 -18.133 -3.570 1.00 0.00 C ATOM 335 O THR A 42 -8.428 -16.978 -3.282 1.00 0.00 O ATOM 336 CB THR A 42 -11.260 -18.558 -3.237 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.422 -18.980 -4.597 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.619 -17.063 -3.108 1.00 0.00 C ATOM 0 H THR A 42 -9.168 -17.618 -1.182 1.00 0.00 H new ATOM 0 HA THR A 42 -9.655 -19.952 -2.829 1.00 0.00 H new ATOM 0 HB THR A 42 -11.944 -19.116 -2.597 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.270 -18.636 -4.948 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.632 -16.899 -3.475 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.559 -16.763 -2.062 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.920 -16.469 -3.696 1.00 0.00 H new ATOM 346 N VAL A 43 -8.204 -18.807 -4.592 1.00 0.00 N ATOM 347 CA VAL A 43 -7.246 -18.201 -5.535 1.00 0.00 C ATOM 348 C VAL A 43 -7.958 -17.901 -6.873 1.00 0.00 C ATOM 349 O VAL A 43 -8.414 -18.814 -7.557 1.00 0.00 O ATOM 350 CB VAL A 43 -5.956 -19.094 -5.745 1.00 0.00 C ATOM 351 CG1 VAL A 43 -6.301 -20.572 -6.076 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.023 -18.471 -6.818 1.00 0.00 C ATOM 0 H VAL A 43 -8.411 -19.786 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.892 -17.265 -5.104 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.420 -19.111 -4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.380 -21.139 -6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.877 -21.003 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.888 -20.612 -6.993 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.143 -19.102 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.557 -18.397 -7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.713 -17.476 -6.497 1.00 0.00 H new ATOM 362 N ILE A 44 -8.112 -16.600 -7.199 1.00 0.00 N ATOM 363 CA ILE A 44 -8.695 -16.127 -8.476 1.00 0.00 C ATOM 364 C ILE A 44 -7.721 -15.121 -9.130 1.00 0.00 C ATOM 365 O ILE A 44 -7.388 -14.092 -8.524 1.00 0.00 O ATOM 366 CB ILE A 44 -10.104 -15.437 -8.266 1.00 0.00 C ATOM 367 CG1 ILE A 44 -11.070 -16.387 -7.480 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.725 -15.003 -9.627 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.430 -15.802 -7.140 1.00 0.00 C ATOM 0 H ILE A 44 -7.833 -15.840 -6.578 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.846 -16.993 -9.121 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.956 -14.536 -7.671 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.220 -17.292 -8.069 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.581 -16.687 -6.553 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.692 -14.532 -9.452 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.060 -14.294 -10.121 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.858 -15.879 -10.262 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.019 -16.541 -6.597 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.300 -14.915 -6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.949 -15.529 -8.059 1.00 0.00 H new ATOM 381 N ASP A 45 -7.264 -15.456 -10.353 1.00 0.00 N ATOM 382 CA ASP A 45 -6.368 -14.618 -11.189 1.00 0.00 C ATOM 383 C ASP A 45 -5.007 -14.391 -10.477 1.00 0.00 C ATOM 384 O ASP A 45 -4.425 -13.295 -10.503 1.00 0.00 O ATOM 385 CB ASP A 45 -7.086 -13.283 -11.600 1.00 0.00 C ATOM 386 CG ASP A 45 -6.326 -12.459 -12.657 1.00 0.00 C ATOM 387 OD1 ASP A 45 -6.170 -12.947 -13.796 1.00 0.00 O ATOM 388 OD2 ASP A 45 -5.858 -11.337 -12.350 1.00 0.00 O ATOM 0 H ASP A 45 -7.511 -16.338 -10.802 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.143 -15.145 -12.116 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.078 -13.520 -11.984 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.227 -12.670 -10.710 1.00 0.00 H new ATOM 393 N GLY A 46 -4.514 -15.467 -9.833 1.00 0.00 N ATOM 394 CA GLY A 46 -3.230 -15.453 -9.121 1.00 0.00 C ATOM 395 C GLY A 46 -3.252 -14.622 -7.838 1.00 0.00 C ATOM 396 O GLY A 46 -2.202 -14.281 -7.302 1.00 0.00 O ATOM 0 H GLY A 46 -4.996 -16.365 -9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.948 -16.477 -8.876 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.460 -15.061 -9.785 1.00 0.00 H new ATOM 400 N LYS A 47 -4.463 -14.291 -7.350 1.00 0.00 N ATOM 401 CA LYS A 47 -4.672 -13.514 -6.113 1.00 0.00 C ATOM 402 C LYS A 47 -5.449 -14.358 -5.110 1.00 0.00 C ATOM 403 O LYS A 47 -6.282 -15.162 -5.511 1.00 0.00 O ATOM 404 CB LYS A 47 -5.469 -12.217 -6.414 1.00 0.00 C ATOM 405 CG LYS A 47 -4.811 -11.264 -7.424 1.00 0.00 C ATOM 406 CD LYS A 47 -3.473 -10.690 -6.919 1.00 0.00 C ATOM 407 CE LYS A 47 -2.864 -9.691 -7.905 1.00 0.00 C ATOM 408 NZ LYS A 47 -3.749 -8.516 -8.115 1.00 0.00 N ATOM 0 H LYS A 47 -5.334 -14.559 -7.809 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.700 -13.244 -5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.454 -12.494 -6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.623 -11.679 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.643 -11.795 -8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.495 -10.443 -7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.629 -10.200 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.770 -11.506 -6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.896 -9.356 -7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.684 -10.186 -8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.216 -7.760 -8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.559 -8.793 -8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.092 -8.171 -7.196 1.00 0.00 H new ATOM 422 N VAL A 48 -5.195 -14.161 -3.810 1.00 0.00 N ATOM 423 CA VAL A 48 -5.920 -14.871 -2.745 1.00 0.00 C ATOM 424 C VAL A 48 -6.905 -13.912 -2.064 1.00 0.00 C ATOM 425 O VAL A 48 -6.513 -12.852 -1.549 1.00 0.00 O ATOM 426 CB VAL A 48 -4.954 -15.499 -1.679 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.732 -16.267 -0.576 1.00 0.00 C ATOM 428 CG2 VAL A 48 -3.929 -16.422 -2.365 1.00 0.00 C ATOM 0 H VAL A 48 -4.488 -13.511 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.463 -15.694 -3.209 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.423 -14.682 -1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.027 -16.686 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.408 -15.582 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.308 -17.072 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.265 -16.851 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.453 -17.223 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.343 -15.846 -3.081 1.00 0.00 H new ATOM 438 N TYR A 49 -8.183 -14.288 -2.114 1.00 0.00 N ATOM 439 CA TYR A 49 -9.286 -13.610 -1.426 1.00 0.00 C ATOM 440 C TYR A 49 -9.916 -14.578 -0.430 1.00 0.00 C ATOM 441 O TYR A 49 -9.588 -15.763 -0.415 1.00 0.00 O ATOM 442 CB TYR A 49 -10.371 -13.152 -2.434 1.00 0.00 C ATOM 443 CG TYR A 49 -9.848 -12.239 -3.544 1.00 0.00 C ATOM 444 CD1 TYR A 49 -9.826 -10.855 -3.385 1.00 0.00 C ATOM 445 CD2 TYR A 49 -9.350 -12.770 -4.735 1.00 0.00 C ATOM 446 CE1 TYR A 49 -9.324 -10.036 -4.367 1.00 0.00 C ATOM 447 CE2 TYR A 49 -8.852 -11.951 -5.718 1.00 0.00 C ATOM 448 CZ TYR A 49 -8.838 -10.588 -5.529 1.00 0.00 C ATOM 449 OH TYR A 49 -8.333 -9.771 -6.508 1.00 0.00 O ATOM 0 H TYR A 49 -8.491 -15.099 -2.651 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.891 -12.732 -0.915 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.825 -14.033 -2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.159 -12.631 -1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.210 -10.419 -2.475 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.357 -13.839 -4.885 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.311 -8.965 -4.227 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.473 -12.375 -6.636 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.029 -10.316 -7.264 1.00 0.00 H new ATOM 459 N ASP A 50 -10.817 -14.063 0.409 1.00 0.00 N ATOM 460 CA ASP A 50 -11.658 -14.897 1.276 1.00 0.00 C ATOM 461 C ASP A 50 -13.077 -15.017 0.692 1.00 0.00 C ATOM 462 O ASP A 50 -13.503 -14.205 -0.139 1.00 0.00 O ATOM 463 CB ASP A 50 -11.713 -14.307 2.707 1.00 0.00 C ATOM 464 CG ASP A 50 -12.336 -12.903 2.758 1.00 0.00 C ATOM 465 OD1 ASP A 50 -13.571 -12.800 2.854 1.00 0.00 O ATOM 466 OD2 ASP A 50 -11.589 -11.906 2.688 1.00 0.00 O ATOM 0 H ASP A 50 -10.985 -13.062 0.508 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.218 -15.893 1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.288 -14.976 3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.703 -14.265 3.115 1.00 0.00 H new ATOM 471 N ILE A 51 -13.782 -16.059 1.133 1.00 0.00 N ATOM 472 CA ILE A 51 -15.223 -16.244 0.906 1.00 0.00 C ATOM 473 C ILE A 51 -15.963 -16.170 2.261 1.00 0.00 C ATOM 474 O ILE A 51 -17.146 -15.863 2.300 1.00 0.00 O ATOM 475 CB ILE A 51 -15.508 -17.617 0.167 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.859 -17.616 -1.257 1.00 0.00 C ATOM 477 CG2 ILE A 51 -17.023 -17.966 0.085 1.00 0.00 C ATOM 478 CD1 ILE A 51 -15.388 -16.534 -2.183 1.00 0.00 C ATOM 0 H ILE A 51 -13.361 -16.817 1.670 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.592 -15.449 0.258 1.00 0.00 H new ATOM 0 HB ILE A 51 -15.047 -18.399 0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.781 -17.493 -1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -15.026 -18.588 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -17.150 -18.917 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -17.434 -18.043 1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -17.548 -17.183 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.886 -16.604 -3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -16.461 -16.666 -2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.197 -15.555 -1.745 1.00 0.00 H new ATOM 490 N LYS A 52 -15.235 -16.406 3.373 1.00 0.00 N ATOM 491 CA LYS A 52 -15.827 -16.458 4.727 1.00 0.00 C ATOM 492 C LYS A 52 -16.336 -15.065 5.182 1.00 0.00 C ATOM 493 O LYS A 52 -17.523 -14.910 5.500 1.00 0.00 O ATOM 494 CB LYS A 52 -14.811 -17.058 5.737 1.00 0.00 C ATOM 495 CG LYS A 52 -15.303 -17.221 7.207 1.00 0.00 C ATOM 496 CD LYS A 52 -16.535 -18.175 7.399 1.00 0.00 C ATOM 497 CE LYS A 52 -17.894 -17.444 7.358 1.00 0.00 C ATOM 498 NZ LYS A 52 -19.050 -18.358 7.501 1.00 0.00 N ATOM 0 H LYS A 52 -14.228 -16.565 3.359 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.697 -17.113 4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.503 -18.037 5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.923 -16.426 5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.476 -17.596 7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.562 -16.237 7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.518 -18.938 6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.438 -18.692 8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.925 -16.702 8.156 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.981 -16.903 6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.933 -17.809 7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.042 -19.051 6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.988 -18.856 8.412 1.00 0.00 H new ATOM 512 N ASP A 53 -15.451 -14.056 5.199 1.00 0.00 N ATOM 513 CA ASP A 53 -15.840 -12.676 5.566 1.00 0.00 C ATOM 514 C ASP A 53 -16.782 -12.096 4.482 1.00 0.00 C ATOM 515 O ASP A 53 -17.753 -11.408 4.790 1.00 0.00 O ATOM 516 CB ASP A 53 -14.583 -11.783 5.744 1.00 0.00 C ATOM 517 CG ASP A 53 -14.917 -10.356 6.221 1.00 0.00 C ATOM 518 OD1 ASP A 53 -15.076 -10.151 7.444 1.00 0.00 O ATOM 519 OD2 ASP A 53 -15.018 -9.427 5.386 1.00 0.00 O ATOM 0 H ASP A 53 -14.464 -14.164 4.965 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.371 -12.696 6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.911 -12.252 6.463 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.048 -11.727 4.796 1.00 0.00 H new ATOM 524 N PHE A 54 -16.483 -12.456 3.217 1.00 0.00 N ATOM 525 CA PHE A 54 -17.240 -12.064 2.007 1.00 0.00 C ATOM 526 C PHE A 54 -18.746 -12.391 2.114 1.00 0.00 C ATOM 527 O PHE A 54 -19.601 -11.521 1.898 1.00 0.00 O ATOM 528 CB PHE A 54 -16.600 -12.782 0.784 1.00 0.00 C ATOM 529 CG PHE A 54 -17.288 -12.537 -0.558 1.00 0.00 C ATOM 530 CD1 PHE A 54 -16.944 -11.445 -1.340 1.00 0.00 C ATOM 531 CD2 PHE A 54 -18.291 -13.397 -1.027 1.00 0.00 C ATOM 532 CE1 PHE A 54 -17.572 -11.215 -2.546 1.00 0.00 C ATOM 533 CE2 PHE A 54 -18.922 -13.157 -2.230 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.561 -12.067 -2.990 1.00 0.00 C ATOM 0 H PHE A 54 -15.681 -13.048 3.001 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.180 -10.982 1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.560 -12.465 0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.592 -13.855 0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.175 -10.767 -1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -18.573 -14.258 -0.439 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.288 -10.363 -3.146 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -19.698 -13.823 -2.575 1.00 0.00 H new ATOM 0 HZ PHE A 54 -19.052 -11.880 -3.933 1.00 0.00 H new ATOM 544 N GLN A 55 -19.050 -13.655 2.453 1.00 0.00 N ATOM 545 CA GLN A 55 -20.440 -14.155 2.523 1.00 0.00 C ATOM 546 C GLN A 55 -21.189 -13.523 3.712 1.00 0.00 C ATOM 547 O GLN A 55 -22.409 -13.404 3.679 1.00 0.00 O ATOM 548 CB GLN A 55 -20.483 -15.705 2.583 1.00 0.00 C ATOM 549 CG GLN A 55 -19.830 -16.319 3.831 1.00 0.00 C ATOM 550 CD GLN A 55 -19.771 -17.848 3.823 1.00 0.00 C ATOM 551 OE1 GLN A 55 -20.667 -18.521 4.322 1.00 0.00 O ATOM 552 NE2 GLN A 55 -18.715 -18.404 3.241 1.00 0.00 N ATOM 0 H GLN A 55 -18.347 -14.357 2.685 1.00 0.00 H new ATOM 0 HA GLN A 55 -20.951 -13.855 1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -21.523 -16.028 2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -19.987 -16.103 1.698 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -18.817 -15.928 3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.381 -15.993 4.713 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -17.987 -17.815 2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -18.632 -19.420 3.199 1.00 0.00 H new ATOM 561 N THR A 56 -20.442 -13.131 4.765 1.00 0.00 N ATOM 562 CA THR A 56 -21.005 -12.394 5.918 1.00 0.00 C ATOM 563 C THR A 56 -21.391 -10.948 5.501 1.00 0.00 C ATOM 564 O THR A 56 -22.377 -10.387 5.987 1.00 0.00 O ATOM 565 CB THR A 56 -19.992 -12.365 7.113 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.483 -13.690 7.336 1.00 0.00 O ATOM 567 CG2 THR A 56 -20.631 -11.848 8.423 1.00 0.00 C ATOM 0 H THR A 56 -19.441 -13.314 4.841 1.00 0.00 H new ATOM 0 HA THR A 56 -21.904 -12.915 6.247 1.00 0.00 H new ATOM 0 HB THR A 56 -19.192 -11.677 6.841 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.849 -13.921 6.625 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.884 -11.849 9.217 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.999 -10.833 8.272 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.461 -12.497 8.704 1.00 0.00 H new ATOM 575 N GLN A 57 -20.594 -10.369 4.577 1.00 0.00 N ATOM 576 CA GLN A 57 -20.809 -9.006 4.049 1.00 0.00 C ATOM 577 C GLN A 57 -22.030 -8.932 3.102 1.00 0.00 C ATOM 578 O GLN A 57 -22.612 -7.859 2.929 1.00 0.00 O ATOM 579 CB GLN A 57 -19.529 -8.516 3.317 1.00 0.00 C ATOM 580 CG GLN A 57 -18.286 -8.341 4.210 1.00 0.00 C ATOM 581 CD GLN A 57 -18.444 -7.256 5.262 1.00 0.00 C ATOM 582 OE1 GLN A 57 -18.168 -6.084 5.005 1.00 0.00 O ATOM 583 NE2 GLN A 57 -18.866 -7.637 6.455 1.00 0.00 N ATOM 0 H GLN A 57 -19.781 -10.836 4.176 1.00 0.00 H new ATOM 0 HA GLN A 57 -21.019 -8.353 4.896 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.290 -9.225 2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -19.748 -7.563 2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.068 -9.287 4.705 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.427 -8.105 3.582 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -19.085 -8.618 6.629 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.973 -6.950 7.201 1.00 0.00 H new ATOM 592 N SER A 58 -22.411 -10.070 2.486 1.00 0.00 N ATOM 593 CA SER A 58 -23.611 -10.139 1.617 1.00 0.00 C ATOM 594 C SER A 58 -24.920 -10.205 2.438 1.00 0.00 C ATOM 595 O SER A 58 -26.011 -10.124 1.866 1.00 0.00 O ATOM 596 CB SER A 58 -23.496 -11.319 0.614 1.00 0.00 C ATOM 597 OG SER A 58 -23.237 -12.552 1.254 1.00 0.00 O ATOM 0 H SER A 58 -21.908 -10.953 2.572 1.00 0.00 H new ATOM 0 HA SER A 58 -23.656 -9.215 1.041 1.00 0.00 H new ATOM 0 HB2 SER A 58 -24.421 -11.397 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 58 -22.698 -11.109 -0.099 1.00 0.00 H new ATOM 0 HG SER A 58 -23.097 -12.400 2.212 1.00 0.00 H new ATOM 603 N LEU A 59 -24.801 -10.335 3.781 1.00 0.00 N ATOM 604 CA LEU A 59 -25.946 -10.171 4.707 1.00 0.00 C ATOM 605 C LEU A 59 -26.267 -8.677 4.937 1.00 0.00 C ATOM 606 O LEU A 59 -27.222 -8.356 5.660 1.00 0.00 O ATOM 607 CB LEU A 59 -25.711 -10.898 6.076 1.00 0.00 C ATOM 608 CG LEU A 59 -25.998 -12.435 6.123 1.00 0.00 C ATOM 609 CD1 LEU A 59 -27.422 -12.760 5.632 1.00 0.00 C ATOM 610 CD2 LEU A 59 -24.940 -13.246 5.360 1.00 0.00 C ATOM 0 H LEU A 59 -23.921 -10.554 4.248 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.805 -10.643 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -24.674 -10.738 6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -26.334 -10.414 6.828 1.00 0.00 H new ATOM 0 HG LEU A 59 -25.934 -12.736 7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -27.586 -13.837 5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -28.150 -12.254 6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -27.539 -12.419 4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -25.181 -14.307 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -24.928 -12.936 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -23.959 -13.071 5.802 1.00 0.00 H new ATOM 622 N THR A 60 -25.472 -7.769 4.340 1.00 0.00 N ATOM 623 CA THR A 60 -25.825 -6.353 4.280 1.00 0.00 C ATOM 624 C THR A 60 -26.889 -6.172 3.178 1.00 0.00 C ATOM 625 O THR A 60 -26.645 -6.522 2.016 1.00 0.00 O ATOM 626 CB THR A 60 -24.582 -5.459 3.985 1.00 0.00 C ATOM 627 OG1 THR A 60 -23.505 -5.804 4.868 1.00 0.00 O ATOM 628 CG2 THR A 60 -24.901 -3.954 4.132 1.00 0.00 C ATOM 0 H THR A 60 -24.583 -7.999 3.895 1.00 0.00 H new ATOM 0 HA THR A 60 -26.217 -6.040 5.248 1.00 0.00 H new ATOM 0 HB THR A 60 -24.291 -5.643 2.951 1.00 0.00 H new ATOM 0 HG1 THR A 60 -22.975 -6.527 4.471 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.006 -3.370 3.917 1.00 0.00 H new ATOM 0 HG22 THR A 60 -25.690 -3.679 3.432 1.00 0.00 H new ATOM 0 HG23 THR A 60 -25.232 -3.750 5.150 1.00 0.00 H new ATOM 636 N GLU A 61 -28.068 -5.666 3.566 1.00 0.00 N ATOM 637 CA GLU A 61 -29.203 -5.457 2.649 1.00 0.00 C ATOM 638 C GLU A 61 -28.862 -4.437 1.535 1.00 0.00 C ATOM 639 O GLU A 61 -29.269 -4.608 0.382 1.00 0.00 O ATOM 640 CB GLU A 61 -30.459 -5.025 3.450 1.00 0.00 C ATOM 641 CG GLU A 61 -30.246 -3.813 4.378 1.00 0.00 C ATOM 642 CD GLU A 61 -31.517 -3.369 5.124 1.00 0.00 C ATOM 643 OE1 GLU A 61 -32.285 -2.556 4.569 1.00 0.00 O ATOM 644 OE2 GLU A 61 -31.746 -3.832 6.261 1.00 0.00 O ATOM 0 H GLU A 61 -28.264 -5.388 4.528 1.00 0.00 H new ATOM 0 HA GLU A 61 -29.417 -6.402 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -31.259 -4.791 2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -30.799 -5.869 4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -29.475 -4.058 5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -29.872 -2.977 3.787 1.00 0.00 H new ATOM 651 N ASN A 62 -28.088 -3.396 1.882 1.00 0.00 N ATOM 652 CA ASN A 62 -27.611 -2.391 0.916 1.00 0.00 C ATOM 653 C ASN A 62 -26.096 -2.553 0.755 1.00 0.00 C ATOM 654 O ASN A 62 -25.312 -1.944 1.484 1.00 0.00 O ATOM 655 CB ASN A 62 -27.990 -0.951 1.370 1.00 0.00 C ATOM 656 CG ASN A 62 -29.500 -0.750 1.485 1.00 0.00 C ATOM 657 OD1 ASN A 62 -30.170 -0.348 0.533 1.00 0.00 O ATOM 658 ND2 ASN A 62 -30.046 -1.044 2.653 1.00 0.00 N ATOM 0 H ASN A 62 -27.775 -3.227 2.838 1.00 0.00 H new ATOM 0 HA ASN A 62 -28.094 -2.548 -0.049 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -27.525 -0.744 2.334 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -27.584 -0.231 0.659 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -31.052 -0.940 2.786 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -29.461 -1.375 3.421 1.00 0.00 H new ATOM 665 N SER A 63 -25.699 -3.438 -0.170 1.00 0.00 N ATOM 666 CA SER A 63 -24.285 -3.747 -0.464 1.00 0.00 C ATOM 667 C SER A 63 -24.130 -4.081 -1.954 1.00 0.00 C ATOM 668 O SER A 63 -25.118 -4.374 -2.641 1.00 0.00 O ATOM 669 CB SER A 63 -23.795 -4.947 0.397 1.00 0.00 C ATOM 670 OG SER A 63 -24.504 -6.134 0.103 1.00 0.00 O ATOM 0 H SER A 63 -26.355 -3.968 -0.744 1.00 0.00 H new ATOM 0 HA SER A 63 -23.679 -2.875 -0.220 1.00 0.00 H new ATOM 0 HB2 SER A 63 -22.731 -5.108 0.223 1.00 0.00 H new ATOM 0 HB3 SER A 63 -23.912 -4.707 1.454 1.00 0.00 H new ATOM 0 HG SER A 63 -25.214 -6.264 0.766 1.00 0.00 H new ATOM 676 N ILE A 64 -22.877 -4.073 -2.444 1.00 0.00 N ATOM 677 CA ILE A 64 -22.550 -4.540 -3.808 1.00 0.00 C ATOM 678 C ILE A 64 -22.747 -6.069 -3.933 1.00 0.00 C ATOM 679 O ILE A 64 -22.817 -6.600 -5.033 1.00 0.00 O ATOM 680 CB ILE A 64 -21.071 -4.195 -4.224 1.00 0.00 C ATOM 681 CG1 ILE A 64 -20.037 -4.893 -3.279 1.00 0.00 C ATOM 682 CG2 ILE A 64 -20.844 -2.665 -4.275 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.627 -4.956 -3.816 1.00 0.00 C ATOM 0 H ILE A 64 -22.069 -3.747 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.233 -4.015 -4.476 1.00 0.00 H new ATOM 0 HB ILE A 64 -20.912 -4.585 -5.230 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -20.024 -4.365 -2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.379 -5.908 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -19.814 -2.460 -4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -21.522 -2.221 -5.004 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -21.037 -2.236 -3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.984 -5.456 -3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.619 -5.512 -4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.259 -3.945 -3.991 1.00 0.00 H new ATOM 695 N LEU A 65 -22.802 -6.762 -2.777 1.00 0.00 N ATOM 696 CA LEU A 65 -22.936 -8.226 -2.701 1.00 0.00 C ATOM 697 C LEU A 65 -24.401 -8.644 -2.496 1.00 0.00 C ATOM 698 O LEU A 65 -24.713 -9.831 -2.560 1.00 0.00 O ATOM 699 CB LEU A 65 -22.049 -8.767 -1.550 1.00 0.00 C ATOM 700 CG LEU A 65 -20.540 -8.386 -1.609 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.745 -9.061 -0.465 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.941 -8.695 -3.004 1.00 0.00 C ATOM 0 H LEU A 65 -22.754 -6.313 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.603 -8.655 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.457 -8.408 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.128 -9.854 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.456 -7.310 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.695 -8.775 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.146 -8.739 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.833 -10.144 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.887 -8.419 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.040 -9.760 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.474 -8.124 -3.764 1.00 0.00 H new ATOM 714 N ALA A 66 -25.288 -7.658 -2.234 1.00 0.00 N ATOM 715 CA ALA A 66 -26.747 -7.889 -2.077 1.00 0.00 C ATOM 716 C ALA A 66 -27.386 -8.296 -3.425 1.00 0.00 C ATOM 717 O ALA A 66 -28.333 -9.087 -3.467 1.00 0.00 O ATOM 718 CB ALA A 66 -27.430 -6.635 -1.503 1.00 0.00 C ATOM 0 H ALA A 66 -25.016 -6.681 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.892 -8.710 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.499 -6.820 -1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -27.001 -6.401 -0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.275 -5.794 -2.179 1.00 0.00 H new ATOM 724 N GLN A 67 -26.838 -7.739 -4.522 1.00 0.00 N ATOM 725 CA GLN A 67 -27.250 -8.074 -5.908 1.00 0.00 C ATOM 726 C GLN A 67 -26.669 -9.435 -6.351 1.00 0.00 C ATOM 727 O GLN A 67 -27.153 -10.036 -7.310 1.00 0.00 O ATOM 728 CB GLN A 67 -26.773 -6.966 -6.883 1.00 0.00 C ATOM 729 CG GLN A 67 -25.245 -6.806 -6.936 1.00 0.00 C ATOM 730 CD GLN A 67 -24.768 -5.645 -7.797 1.00 0.00 C ATOM 731 OE1 GLN A 67 -24.518 -5.803 -8.989 1.00 0.00 O ATOM 732 NE2 GLN A 67 -24.648 -4.469 -7.197 1.00 0.00 N ATOM 0 H GLN A 67 -26.095 -7.042 -4.477 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.338 -8.141 -5.929 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -27.141 -7.192 -7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -27.219 -6.017 -6.586 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.870 -6.669 -5.922 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -24.807 -7.729 -7.316 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -24.865 -4.378 -6.205 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -24.338 -3.655 -7.728 1.00 0.00 H new ATOM 741 N PHE A 68 -25.606 -9.886 -5.655 1.00 0.00 N ATOM 742 CA PHE A 68 -24.902 -11.152 -5.945 1.00 0.00 C ATOM 743 C PHE A 68 -25.210 -12.218 -4.871 1.00 0.00 C ATOM 744 O PHE A 68 -24.611 -13.298 -4.886 1.00 0.00 O ATOM 745 CB PHE A 68 -23.364 -10.901 -6.009 1.00 0.00 C ATOM 746 CG PHE A 68 -22.883 -9.992 -7.144 1.00 0.00 C ATOM 747 CD1 PHE A 68 -23.339 -10.174 -8.450 1.00 0.00 C ATOM 748 CD2 PHE A 68 -21.964 -8.965 -6.906 1.00 0.00 C ATOM 749 CE1 PHE A 68 -22.897 -9.359 -9.476 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.521 -8.150 -7.937 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.989 -8.347 -9.220 1.00 0.00 C ATOM 0 H PHE A 68 -25.208 -9.376 -4.867 1.00 0.00 H new ATOM 0 HA PHE A 68 -25.253 -11.523 -6.908 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -23.046 -10.466 -5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.861 -11.864 -6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -24.047 -10.962 -8.662 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.594 -8.804 -5.904 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -23.262 -9.513 -10.481 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -20.810 -7.362 -7.736 1.00 0.00 H new ATOM 0 HZ PHE A 68 -21.647 -7.712 -10.024 1.00 0.00 H new ATOM 761 N ALA A 69 -26.153 -11.905 -3.959 1.00 0.00 N ATOM 762 CA ALA A 69 -26.499 -12.778 -2.816 1.00 0.00 C ATOM 763 C ALA A 69 -27.124 -14.109 -3.288 1.00 0.00 C ATOM 764 O ALA A 69 -26.842 -15.178 -2.728 1.00 0.00 O ATOM 765 CB ALA A 69 -27.446 -12.032 -1.863 1.00 0.00 C ATOM 0 H ALA A 69 -26.696 -11.042 -3.993 1.00 0.00 H new ATOM 0 HA ALA A 69 -25.582 -13.027 -2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.699 -12.678 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -26.956 -11.131 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.356 -11.757 -2.396 1.00 0.00 H new ATOM 771 N GLY A 70 -27.956 -14.024 -4.348 1.00 0.00 N ATOM 772 CA GLY A 70 -28.614 -15.197 -4.939 1.00 0.00 C ATOM 773 C GLY A 70 -27.704 -16.010 -5.859 1.00 0.00 C ATOM 774 O GLY A 70 -28.082 -17.097 -6.302 1.00 0.00 O ATOM 0 H GLY A 70 -28.186 -13.145 -4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.977 -15.842 -4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.487 -14.868 -5.503 1.00 0.00 H new ATOM 778 N GLU A 71 -26.505 -15.482 -6.152 1.00 0.00 N ATOM 779 CA GLU A 71 -25.477 -16.186 -6.947 1.00 0.00 C ATOM 780 C GLU A 71 -24.486 -16.887 -5.998 1.00 0.00 C ATOM 781 O GLU A 71 -24.352 -16.485 -4.838 1.00 0.00 O ATOM 782 CB GLU A 71 -24.747 -15.172 -7.887 1.00 0.00 C ATOM 783 CG GLU A 71 -23.707 -15.787 -8.859 1.00 0.00 C ATOM 784 CD GLU A 71 -24.271 -16.902 -9.773 1.00 0.00 C ATOM 785 OE1 GLU A 71 -25.032 -16.590 -10.714 1.00 0.00 O ATOM 786 OE2 GLU A 71 -23.953 -18.092 -9.554 1.00 0.00 O ATOM 0 H GLU A 71 -26.217 -14.553 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.947 -16.945 -7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.498 -14.643 -8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.244 -14.428 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -23.297 -14.993 -9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.880 -16.194 -8.278 1.00 0.00 H new ATOM 793 N ASP A 72 -23.826 -17.953 -6.506 1.00 0.00 N ATOM 794 CA ASP A 72 -22.716 -18.660 -5.817 1.00 0.00 C ATOM 795 C ASP A 72 -21.665 -17.648 -5.310 1.00 0.00 C ATOM 796 O ASP A 72 -21.243 -16.812 -6.096 1.00 0.00 O ATOM 797 CB ASP A 72 -22.056 -19.644 -6.821 1.00 0.00 C ATOM 798 CG ASP A 72 -20.902 -20.488 -6.235 1.00 0.00 C ATOM 799 OD1 ASP A 72 -19.746 -20.005 -6.185 1.00 0.00 O ATOM 800 OD2 ASP A 72 -21.145 -21.646 -5.843 1.00 0.00 O ATOM 0 H ASP A 72 -24.050 -18.353 -7.417 1.00 0.00 H new ATOM 0 HA ASP A 72 -23.109 -19.206 -4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -22.822 -20.318 -7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.677 -19.075 -7.670 1.00 0.00 H new ATOM 805 N PRO A 73 -21.211 -17.720 -4.013 1.00 0.00 N ATOM 806 CA PRO A 73 -20.325 -16.682 -3.409 1.00 0.00 C ATOM 807 C PRO A 73 -18.955 -16.536 -4.120 1.00 0.00 C ATOM 808 O PRO A 73 -18.416 -15.432 -4.206 1.00 0.00 O ATOM 809 CB PRO A 73 -20.161 -17.163 -1.940 1.00 0.00 C ATOM 810 CG PRO A 73 -20.434 -18.639 -1.992 1.00 0.00 C ATOM 811 CD PRO A 73 -21.513 -18.809 -3.036 1.00 0.00 C ATOM 0 HA PRO A 73 -20.758 -15.686 -3.498 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.158 -16.958 -1.565 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.859 -16.654 -1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.536 -19.196 -2.260 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.763 -19.012 -1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -21.471 -19.793 -3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -22.509 -18.702 -2.608 1.00 0.00 H new ATOM 819 N VAL A 74 -18.409 -17.650 -4.646 1.00 0.00 N ATOM 820 CA VAL A 74 -17.098 -17.644 -5.334 1.00 0.00 C ATOM 821 C VAL A 74 -17.241 -17.001 -6.730 1.00 0.00 C ATOM 822 O VAL A 74 -16.404 -16.198 -7.146 1.00 0.00 O ATOM 823 CB VAL A 74 -16.489 -19.092 -5.434 1.00 0.00 C ATOM 824 CG1 VAL A 74 -15.031 -19.057 -5.960 1.00 0.00 C ATOM 825 CG2 VAL A 74 -16.576 -19.826 -4.067 1.00 0.00 C ATOM 0 H VAL A 74 -18.854 -18.567 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.403 -17.048 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 74 -17.083 -19.653 -6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.640 -20.073 -6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.013 -18.605 -6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -14.413 -18.468 -5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.149 -20.824 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -16.021 -19.264 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -17.620 -19.905 -3.762 1.00 0.00 H new ATOM 835 N VAL A 75 -18.350 -17.345 -7.420 1.00 0.00 N ATOM 836 CA VAL A 75 -18.712 -16.764 -8.739 1.00 0.00 C ATOM 837 C VAL A 75 -19.100 -15.271 -8.583 1.00 0.00 C ATOM 838 O VAL A 75 -18.833 -14.449 -9.464 1.00 0.00 O ATOM 839 CB VAL A 75 -19.886 -17.579 -9.403 1.00 0.00 C ATOM 840 CG1 VAL A 75 -20.342 -16.970 -10.757 1.00 0.00 C ATOM 841 CG2 VAL A 75 -19.484 -19.065 -9.574 1.00 0.00 C ATOM 0 H VAL A 75 -19.022 -18.033 -7.081 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.843 -16.827 -9.394 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.740 -17.519 -8.729 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -21.152 -17.570 -11.171 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.691 -15.950 -10.598 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.504 -16.963 -11.453 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.306 -19.614 -10.034 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -18.602 -19.132 -10.210 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.261 -19.496 -8.598 1.00 0.00 H new ATOM 851 N ALA A 76 -19.694 -14.949 -7.428 1.00 0.00 N ATOM 852 CA ALA A 76 -20.126 -13.586 -7.060 1.00 0.00 C ATOM 853 C ALA A 76 -18.911 -12.682 -6.829 1.00 0.00 C ATOM 854 O ALA A 76 -18.933 -11.489 -7.154 1.00 0.00 O ATOM 855 CB ALA A 76 -20.998 -13.638 -5.794 1.00 0.00 C ATOM 0 H ALA A 76 -19.894 -15.640 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.713 -13.171 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.313 -12.629 -5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.877 -14.255 -5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.423 -14.067 -4.973 1.00 0.00 H new ATOM 861 N LEU A 77 -17.862 -13.283 -6.245 1.00 0.00 N ATOM 862 CA LEU A 77 -16.570 -12.631 -6.023 1.00 0.00 C ATOM 863 C LEU A 77 -15.906 -12.297 -7.375 1.00 0.00 C ATOM 864 O LEU A 77 -15.386 -11.203 -7.546 1.00 0.00 O ATOM 865 CB LEU A 77 -15.659 -13.549 -5.165 1.00 0.00 C ATOM 866 CG LEU A 77 -14.242 -12.994 -4.797 1.00 0.00 C ATOM 867 CD1 LEU A 77 -14.310 -11.734 -3.912 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.398 -14.084 -4.123 1.00 0.00 C ATOM 0 H LEU A 77 -17.892 -14.246 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.724 -11.697 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.185 -13.779 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.527 -14.490 -5.698 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.763 -12.697 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.300 -11.392 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.850 -10.948 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -14.828 -11.970 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.416 -13.682 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.895 -14.418 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.282 -14.928 -4.804 1.00 0.00 H new ATOM 880 N GLU A 78 -15.970 -13.250 -8.335 1.00 0.00 N ATOM 881 CA GLU A 78 -15.421 -13.071 -9.705 1.00 0.00 C ATOM 882 C GLU A 78 -16.146 -11.945 -10.463 1.00 0.00 C ATOM 883 O GLU A 78 -15.515 -11.151 -11.166 1.00 0.00 O ATOM 884 CB GLU A 78 -15.531 -14.381 -10.519 1.00 0.00 C ATOM 885 CG GLU A 78 -14.774 -15.563 -9.911 1.00 0.00 C ATOM 886 CD GLU A 78 -14.849 -16.824 -10.778 1.00 0.00 C ATOM 887 OE1 GLU A 78 -15.892 -17.518 -10.744 1.00 0.00 O ATOM 888 OE2 GLU A 78 -13.866 -17.138 -11.481 1.00 0.00 O ATOM 0 H GLU A 78 -16.401 -14.162 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.371 -12.799 -9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.583 -14.649 -10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.155 -14.202 -11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.729 -15.286 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.182 -15.781 -8.924 1.00 0.00 H new ATOM 895 N ALA A 79 -17.477 -11.897 -10.300 1.00 0.00 N ATOM 896 CA ALA A 79 -18.339 -10.866 -10.909 1.00 0.00 C ATOM 897 C ALA A 79 -18.024 -9.485 -10.310 1.00 0.00 C ATOM 898 O ALA A 79 -18.070 -8.459 -11.001 1.00 0.00 O ATOM 899 CB ALA A 79 -19.819 -11.234 -10.707 1.00 0.00 C ATOM 0 H ALA A 79 -17.991 -12.576 -9.739 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.141 -10.820 -11.980 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.449 -10.468 -11.159 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.022 -12.196 -11.178 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.036 -11.299 -9.641 1.00 0.00 H new ATOM 905 N ALA A 80 -17.678 -9.494 -9.016 1.00 0.00 N ATOM 906 CA ALA A 80 -17.287 -8.292 -8.280 1.00 0.00 C ATOM 907 C ALA A 80 -15.835 -7.872 -8.618 1.00 0.00 C ATOM 908 O ALA A 80 -15.482 -6.706 -8.506 1.00 0.00 O ATOM 909 CB ALA A 80 -17.479 -8.527 -6.780 1.00 0.00 C ATOM 0 H ALA A 80 -17.663 -10.342 -8.450 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.927 -7.464 -8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -17.188 -7.631 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.526 -8.752 -6.578 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.860 -9.365 -6.461 1.00 0.00 H new ATOM 915 N LEU A 81 -14.997 -8.836 -9.024 1.00 0.00 N ATOM 916 CA LEU A 81 -13.629 -8.561 -9.528 1.00 0.00 C ATOM 917 C LEU A 81 -13.682 -7.997 -10.958 1.00 0.00 C ATOM 918 O LEU A 81 -12.820 -7.205 -11.360 1.00 0.00 O ATOM 919 CB LEU A 81 -12.768 -9.855 -9.497 1.00 0.00 C ATOM 920 CG LEU A 81 -12.394 -10.369 -8.074 1.00 0.00 C ATOM 921 CD1 LEU A 81 -11.705 -11.749 -8.123 1.00 0.00 C ATOM 922 CD2 LEU A 81 -11.524 -9.333 -7.338 1.00 0.00 C ATOM 0 H LEU A 81 -15.240 -9.827 -9.016 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.169 -7.817 -8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.308 -10.644 -10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.849 -9.674 -10.054 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.320 -10.499 -7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.461 -12.070 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.376 -12.475 -8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.790 -11.678 -8.711 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.272 -9.708 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.608 -9.159 -7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.075 -8.397 -7.243 1.00 0.00 H new ATOM 934 N GLN A 82 -14.709 -8.429 -11.705 1.00 0.00 N ATOM 935 CA GLN A 82 -14.894 -8.078 -13.117 1.00 0.00 C ATOM 936 C GLN A 82 -15.392 -6.630 -13.257 1.00 0.00 C ATOM 937 O GLN A 82 -14.870 -5.865 -14.074 1.00 0.00 O ATOM 938 CB GLN A 82 -15.888 -9.072 -13.790 1.00 0.00 C ATOM 939 CG GLN A 82 -15.999 -8.933 -15.325 1.00 0.00 C ATOM 940 CD GLN A 82 -14.677 -9.197 -16.070 1.00 0.00 C ATOM 941 OE1 GLN A 82 -14.409 -8.595 -17.112 1.00 0.00 O ATOM 942 NE2 GLN A 82 -13.853 -10.120 -15.571 1.00 0.00 N ATOM 0 H GLN A 82 -15.441 -9.038 -11.340 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.932 -8.152 -13.624 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.580 -10.090 -13.552 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -16.876 -8.928 -13.353 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -16.756 -9.628 -15.690 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -16.346 -7.928 -15.565 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -14.095 -10.606 -14.707 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.981 -10.340 -16.053 1.00 0.00 H new ATOM 951 N PHE A 83 -16.392 -6.258 -12.441 1.00 0.00 N ATOM 952 CA PHE A 83 -17.048 -4.940 -12.538 1.00 0.00 C ATOM 953 C PHE A 83 -16.212 -3.859 -11.802 1.00 0.00 C ATOM 954 O PHE A 83 -15.708 -4.093 -10.697 1.00 0.00 O ATOM 955 CB PHE A 83 -18.493 -5.037 -11.989 1.00 0.00 C ATOM 956 CG PHE A 83 -19.383 -3.843 -12.327 1.00 0.00 C ATOM 957 CD1 PHE A 83 -19.776 -3.610 -13.647 1.00 0.00 C ATOM 958 CD2 PHE A 83 -19.823 -2.959 -11.348 1.00 0.00 C ATOM 959 CE1 PHE A 83 -20.583 -2.534 -13.969 1.00 0.00 C ATOM 960 CE2 PHE A 83 -20.631 -1.884 -11.675 1.00 0.00 C ATOM 961 CZ PHE A 83 -21.007 -1.670 -12.984 1.00 0.00 C ATOM 0 H PHE A 83 -16.767 -6.854 -11.703 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.107 -4.637 -13.583 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.957 -5.942 -12.382 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.449 -5.146 -10.905 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.445 -4.280 -14.427 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -19.531 -3.113 -10.320 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -20.881 -2.371 -14.994 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -20.968 -1.210 -10.902 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.633 -0.827 -13.236 1.00 0.00 H new ATOM 971 N GLU A 84 -16.098 -2.677 -12.434 1.00 0.00 N ATOM 972 CA GLU A 84 -15.178 -1.589 -12.017 1.00 0.00 C ATOM 973 C GLU A 84 -15.539 -0.968 -10.653 1.00 0.00 C ATOM 974 O GLU A 84 -14.650 -0.606 -9.872 1.00 0.00 O ATOM 975 CB GLU A 84 -15.149 -0.503 -13.115 1.00 0.00 C ATOM 976 CG GLU A 84 -16.530 0.110 -13.445 1.00 0.00 C ATOM 977 CD GLU A 84 -16.488 1.042 -14.655 1.00 0.00 C ATOM 978 OE1 GLU A 84 -16.543 0.541 -15.796 1.00 0.00 O ATOM 979 OE2 GLU A 84 -16.368 2.272 -14.475 1.00 0.00 O ATOM 0 H GLU A 84 -16.647 -2.442 -13.261 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.190 -2.031 -11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.476 0.295 -12.801 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.730 -0.934 -14.024 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.243 -0.692 -13.634 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.894 0.662 -12.579 1.00 0.00 H new ATOM 986 N ASP A 85 -16.841 -0.841 -10.387 1.00 0.00 N ATOM 987 CA ASP A 85 -17.358 -0.282 -9.119 1.00 0.00 C ATOM 988 C ASP A 85 -17.010 -1.203 -7.940 1.00 0.00 C ATOM 989 O ASP A 85 -16.556 -0.752 -6.884 1.00 0.00 O ATOM 990 CB ASP A 85 -18.896 -0.098 -9.229 1.00 0.00 C ATOM 991 CG ASP A 85 -19.595 0.289 -7.912 1.00 0.00 C ATOM 992 OD1 ASP A 85 -19.591 1.487 -7.551 1.00 0.00 O ATOM 993 OD2 ASP A 85 -20.183 -0.602 -7.247 1.00 0.00 O ATOM 0 H ASP A 85 -17.573 -1.121 -11.040 1.00 0.00 H new ATOM 0 HA ASP A 85 -16.891 0.686 -8.938 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.104 0.670 -9.974 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.334 -1.026 -9.597 1.00 0.00 H new ATOM 998 N THR A 86 -17.211 -2.498 -8.166 1.00 0.00 N ATOM 999 CA THR A 86 -17.155 -3.526 -7.131 1.00 0.00 C ATOM 1000 C THR A 86 -15.711 -3.981 -6.811 1.00 0.00 C ATOM 1001 O THR A 86 -15.429 -4.382 -5.672 1.00 0.00 O ATOM 1002 CB THR A 86 -18.020 -4.736 -7.588 1.00 0.00 C ATOM 1003 OG1 THR A 86 -17.648 -5.110 -8.915 1.00 0.00 O ATOM 1004 CG2 THR A 86 -19.520 -4.423 -7.588 1.00 0.00 C ATOM 0 H THR A 86 -17.422 -2.870 -9.092 1.00 0.00 H new ATOM 0 HA THR A 86 -17.548 -3.100 -6.208 1.00 0.00 H new ATOM 0 HB THR A 86 -17.838 -5.542 -6.877 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.785 -5.573 -8.894 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.075 -5.302 -7.915 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.835 -4.149 -6.581 1.00 0.00 H new ATOM 0 HG23 THR A 86 -19.719 -3.595 -8.268 1.00 0.00 H new ATOM 1012 N ARG A 87 -14.800 -3.894 -7.812 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.413 -4.423 -7.698 1.00 0.00 C ATOM 1014 C ARG A 87 -12.595 -3.672 -6.626 1.00 0.00 C ATOM 1015 O ARG A 87 -11.684 -4.238 -6.016 1.00 0.00 O ATOM 1016 CB ARG A 87 -12.683 -4.380 -9.071 1.00 0.00 C ATOM 1017 CG ARG A 87 -12.457 -2.958 -9.628 1.00 0.00 C ATOM 1018 CD ARG A 87 -11.752 -2.938 -10.995 1.00 0.00 C ATOM 1019 NE ARG A 87 -11.599 -1.560 -11.510 1.00 0.00 N ATOM 1020 CZ ARG A 87 -11.166 -1.233 -12.739 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -10.911 -2.166 -13.649 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -11.043 0.042 -13.069 1.00 0.00 N ATOM 0 H ARG A 87 -15.001 -3.460 -8.713 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.494 -5.463 -7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.717 -4.876 -8.971 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.262 -4.953 -9.795 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.420 -2.454 -9.717 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.864 -2.387 -8.914 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.771 -3.404 -10.906 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.323 -3.532 -11.708 1.00 0.00 H new ATOM 0 HE ARG A 87 -11.842 -0.795 -10.880 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.043 -3.151 -13.420 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.583 -1.897 -14.577 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.276 0.769 -12.392 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.715 0.298 -14.000 1.00 0.00 H new ATOM 1036 N GLU A 88 -12.959 -2.409 -6.383 1.00 0.00 N ATOM 1037 CA GLU A 88 -12.263 -1.534 -5.419 1.00 0.00 C ATOM 1038 C GLU A 88 -12.706 -1.854 -3.971 1.00 0.00 C ATOM 1039 O GLU A 88 -11.995 -1.551 -3.007 1.00 0.00 O ATOM 1040 CB GLU A 88 -12.521 -0.053 -5.795 1.00 0.00 C ATOM 1041 CG GLU A 88 -12.322 0.238 -7.306 1.00 0.00 C ATOM 1042 CD GLU A 88 -12.336 1.729 -7.680 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -13.186 2.480 -7.159 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -11.500 2.159 -8.508 1.00 0.00 O ATOM 0 H GLU A 88 -13.747 -1.958 -6.848 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.189 -1.716 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.539 0.215 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.851 0.584 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.373 -0.193 -7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.106 -0.271 -7.867 1.00 0.00 H new ATOM 1051 N SER A 89 -13.898 -2.453 -3.841 1.00 0.00 N ATOM 1052 CA SER A 89 -14.400 -3.004 -2.568 1.00 0.00 C ATOM 1053 C SER A 89 -13.785 -4.400 -2.305 1.00 0.00 C ATOM 1054 O SER A 89 -13.594 -4.796 -1.149 1.00 0.00 O ATOM 1055 CB SER A 89 -15.936 -3.076 -2.623 1.00 0.00 C ATOM 1056 OG SER A 89 -16.499 -3.644 -1.451 1.00 0.00 O ATOM 0 H SER A 89 -14.547 -2.571 -4.619 1.00 0.00 H new ATOM 0 HA SER A 89 -14.105 -2.354 -1.744 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.338 -2.073 -2.765 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.237 -3.666 -3.489 1.00 0.00 H new ATOM 0 HG SER A 89 -17.475 -3.666 -1.535 1.00 0.00 H new ATOM 1062 N MET A 90 -13.447 -5.122 -3.400 1.00 0.00 N ATOM 1063 CA MET A 90 -12.767 -6.446 -3.340 1.00 0.00 C ATOM 1064 C MET A 90 -11.351 -6.339 -2.733 1.00 0.00 C ATOM 1065 O MET A 90 -10.758 -7.347 -2.336 1.00 0.00 O ATOM 1066 CB MET A 90 -12.687 -7.070 -4.748 1.00 0.00 C ATOM 1067 CG MET A 90 -14.035 -7.376 -5.417 1.00 0.00 C ATOM 1068 SD MET A 90 -14.952 -8.697 -4.601 1.00 0.00 S ATOM 1069 CE MET A 90 -16.079 -7.817 -3.530 1.00 0.00 C ATOM 0 H MET A 90 -13.636 -4.806 -4.351 1.00 0.00 H new ATOM 0 HA MET A 90 -13.361 -7.088 -2.690 1.00 0.00 H new ATOM 0 HB2 MET A 90 -12.127 -6.394 -5.394 1.00 0.00 H new ATOM 0 HB3 MET A 90 -12.116 -7.996 -4.683 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.643 -6.471 -5.424 1.00 0.00 H new ATOM 0 HG3 MET A 90 -13.862 -7.652 -6.457 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.277 -8.415 -2.640 1.00 0.00 H new ATOM 0 HE2 MET A 90 -15.635 -6.866 -3.237 1.00 0.00 H new ATOM 0 HE3 MET A 90 -17.014 -7.633 -4.059 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.832 -5.099 -2.691 1.00 0.00 N ATOM 1080 CA HIS A 91 -9.550 -4.745 -2.054 1.00 0.00 C ATOM 1081 C HIS A 91 -9.533 -5.136 -0.553 1.00 0.00 C ATOM 1082 O HIS A 91 -8.486 -5.509 -0.009 1.00 0.00 O ATOM 1083 CB HIS A 91 -9.325 -3.224 -2.236 1.00 0.00 C ATOM 1084 CG HIS A 91 -8.034 -2.690 -1.674 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -7.868 -2.356 -0.346 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -6.859 -2.413 -2.276 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -6.647 -1.906 -0.160 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -6.011 -1.928 -1.313 1.00 0.00 N ATOM 0 H HIS A 91 -11.303 -4.296 -3.109 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.741 -5.301 -2.528 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.361 -2.994 -3.301 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.153 -2.693 -1.767 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.629 -2.548 -3.322 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -6.234 -1.574 0.781 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -5.047 -1.633 -1.465 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.711 -5.035 0.096 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.903 -5.438 1.506 1.00 0.00 C ATOM 1099 C ALA A 92 -10.747 -6.964 1.678 1.00 0.00 C ATOM 1100 O ALA A 92 -10.201 -7.433 2.676 1.00 0.00 O ATOM 1101 CB ALA A 92 -12.286 -4.986 2.008 1.00 0.00 C ATOM 0 H ALA A 92 -11.557 -4.672 -0.342 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.132 -4.950 2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -12.413 -5.290 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.363 -3.901 1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -13.063 -5.447 1.398 1.00 0.00 H new ATOM 1107 N PHE A 93 -11.232 -7.718 0.678 1.00 0.00 N ATOM 1108 CA PHE A 93 -11.215 -9.199 0.688 1.00 0.00 C ATOM 1109 C PHE A 93 -9.880 -9.746 0.160 1.00 0.00 C ATOM 1110 O PHE A 93 -9.598 -10.939 0.306 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.413 -9.742 -0.137 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.751 -9.171 0.336 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -14.331 -9.604 1.523 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.398 -8.163 -0.375 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.517 -9.059 1.967 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.585 -7.614 0.076 1.00 0.00 C ATOM 1117 CZ PHE A 93 -16.142 -8.063 1.246 1.00 0.00 C ATOM 0 H PHE A 93 -11.649 -7.322 -0.164 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.315 -9.542 1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -12.268 -9.497 -1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.438 -10.829 -0.064 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.847 -10.376 2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -13.965 -7.803 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -15.960 -9.414 2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.071 -6.834 -0.491 1.00 0.00 H new ATOM 0 HZ PHE A 93 -17.068 -7.637 1.602 1.00 0.00 H new ATOM 1127 N CYS A 94 -9.072 -8.863 -0.467 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.733 -9.209 -0.965 1.00 0.00 C ATOM 1129 C CYS A 94 -6.774 -9.398 0.222 1.00 0.00 C ATOM 1130 O CYS A 94 -6.203 -8.428 0.741 1.00 0.00 O ATOM 1131 CB CYS A 94 -7.212 -8.125 -1.940 1.00 0.00 C ATOM 1132 SG CYS A 94 -5.617 -8.512 -2.702 1.00 0.00 S ATOM 0 H CYS A 94 -9.334 -7.893 -0.639 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.790 -10.146 -1.519 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -7.951 -7.976 -2.727 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -7.125 -7.181 -1.402 1.00 0.00 H new ATOM 0 HG CYS A 94 -5.271 -7.546 -3.500 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.655 -10.659 0.684 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.798 -11.022 1.832 1.00 0.00 C ATOM 1140 C VAL A 95 -4.332 -11.214 1.377 1.00 0.00 C ATOM 1141 O VAL A 95 -3.418 -11.293 2.212 1.00 0.00 O ATOM 1142 CB VAL A 95 -6.336 -12.308 2.576 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -7.788 -12.097 3.088 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -6.245 -13.568 1.685 1.00 0.00 C ATOM 0 H VAL A 95 -7.148 -11.452 0.274 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.830 -10.199 2.546 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.692 -12.470 3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.130 -12.999 3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.810 -11.259 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.444 -11.885 2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.625 -14.430 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.841 -13.420 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.205 -13.743 1.408 1.00 0.00 H new ATOM 1154 N GLY A 96 -4.130 -11.287 0.043 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.794 -11.312 -0.550 1.00 0.00 C ATOM 1156 C GLY A 96 -2.806 -11.736 -2.009 1.00 0.00 C ATOM 1157 O GLY A 96 -3.866 -11.801 -2.639 1.00 0.00 O ATOM 0 H GLY A 96 -4.887 -11.329 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.346 -10.322 -0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.162 -11.996 0.017 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.607 -11.991 -2.546 1.00 0.00 N ATOM 1162 CA GLN A 97 -1.400 -12.556 -3.892 1.00 0.00 C ATOM 1163 C GLN A 97 -0.902 -13.994 -3.734 1.00 0.00 C ATOM 1164 O GLN A 97 -0.085 -14.259 -2.858 1.00 0.00 O ATOM 1165 CB GLN A 97 -0.364 -11.709 -4.683 1.00 0.00 C ATOM 1166 CG GLN A 97 -0.086 -12.195 -6.118 1.00 0.00 C ATOM 1167 CD GLN A 97 0.922 -11.324 -6.872 1.00 0.00 C ATOM 1168 OE1 GLN A 97 0.560 -10.335 -7.505 1.00 0.00 O ATOM 1169 NE2 GLN A 97 2.197 -11.692 -6.823 1.00 0.00 N ATOM 0 H GLN A 97 -0.734 -11.808 -2.051 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.336 -12.543 -4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.717 -10.679 -4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.575 -11.701 -4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.286 -13.219 -6.081 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.023 -12.217 -6.674 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.469 -12.518 -6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.904 -11.149 -7.319 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.388 -14.910 -4.581 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.965 -16.321 -4.555 1.00 0.00 C ATOM 1180 C TYR A 98 0.468 -16.460 -5.081 1.00 0.00 C ATOM 1181 O TYR A 98 0.842 -15.840 -6.090 1.00 0.00 O ATOM 1182 CB TYR A 98 -1.921 -17.206 -5.396 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.564 -18.709 -5.415 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -1.704 -19.495 -4.265 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.086 -19.342 -6.576 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -1.387 -20.840 -4.276 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -0.776 -20.684 -6.582 1.00 0.00 C ATOM 1188 CZ TYR A 98 -0.926 -21.427 -5.434 1.00 0.00 C ATOM 1189 OH TYR A 98 -0.628 -22.767 -5.451 1.00 0.00 O ATOM 0 H TYR A 98 -2.080 -14.699 -5.300 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.001 -16.661 -3.520 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.933 -17.092 -5.009 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.928 -16.836 -6.421 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.066 -19.042 -3.354 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.960 -18.765 -7.480 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.500 -21.430 -3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.416 -21.152 -7.486 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.317 -23.022 -6.345 1.00 0.00 H new ATOM 1199 N LEU A 99 1.256 -17.276 -4.380 1.00 0.00 N ATOM 1200 CA LEU A 99 2.582 -17.684 -4.811 1.00 0.00 C ATOM 1201 C LEU A 99 2.564 -19.208 -5.011 1.00 0.00 C ATOM 1202 O LEU A 99 2.237 -19.969 -4.092 1.00 0.00 O ATOM 1203 CB LEU A 99 3.662 -17.215 -3.784 1.00 0.00 C ATOM 1204 CG LEU A 99 5.176 -17.506 -4.123 1.00 0.00 C ATOM 1205 CD1 LEU A 99 5.609 -18.924 -3.700 1.00 0.00 C ATOM 1206 CD2 LEU A 99 5.492 -17.238 -5.615 1.00 0.00 C ATOM 0 H LEU A 99 0.981 -17.675 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 99 2.850 -17.213 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.550 -16.139 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.438 -17.682 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 99 5.767 -16.806 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.658 -19.075 -3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.476 -19.039 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.999 -19.661 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.544 -17.450 -5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.872 -17.881 -6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.283 -16.194 -5.849 1.00 0.00 H new ATOM 1218 N GLU A 100 2.893 -19.619 -6.242 1.00 0.00 N ATOM 1219 CA GLU A 100 3.057 -21.021 -6.621 1.00 0.00 C ATOM 1220 C GLU A 100 4.384 -21.561 -6.023 1.00 0.00 C ATOM 1221 O GLU A 100 5.421 -20.903 -6.171 1.00 0.00 O ATOM 1222 CB GLU A 100 3.071 -21.114 -8.167 1.00 0.00 C ATOM 1223 CG GLU A 100 3.218 -22.534 -8.739 1.00 0.00 C ATOM 1224 CD GLU A 100 3.455 -22.540 -10.248 1.00 0.00 C ATOM 1225 OE1 GLU A 100 4.628 -22.488 -10.671 1.00 0.00 O ATOM 1226 OE2 GLU A 100 2.470 -22.568 -11.016 1.00 0.00 O ATOM 0 H GLU A 100 3.055 -18.972 -7.014 1.00 0.00 H new ATOM 0 HA GLU A 100 2.235 -21.624 -6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 100 2.147 -20.680 -8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 100 3.890 -20.502 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 100 4.048 -23.037 -8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.318 -23.107 -8.514 1.00 0.00 H new ATOM 1233 N PRO A 101 4.388 -22.777 -5.374 1.00 0.00 N ATOM 1234 CA PRO A 101 5.562 -23.289 -4.596 1.00 0.00 C ATOM 1235 C PRO A 101 6.795 -23.604 -5.467 1.00 0.00 C ATOM 1236 O PRO A 101 7.895 -23.808 -4.942 1.00 0.00 O ATOM 1237 CB PRO A 101 5.008 -24.587 -3.956 1.00 0.00 C ATOM 1238 CG PRO A 101 3.960 -25.036 -4.925 1.00 0.00 C ATOM 1239 CD PRO A 101 3.275 -23.768 -5.372 1.00 0.00 C ATOM 0 HA PRO A 101 5.924 -22.547 -3.885 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.788 -25.338 -3.832 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.587 -24.399 -2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.403 -25.564 -5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.255 -25.721 -4.455 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.828 -23.876 -6.360 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.476 -23.478 -4.690 1.00 0.00 H new ATOM 1247 N ASP A 102 6.597 -23.666 -6.789 1.00 0.00 N ATOM 1248 CA ASP A 102 7.670 -23.995 -7.744 1.00 0.00 C ATOM 1249 C ASP A 102 8.154 -22.727 -8.475 1.00 0.00 C ATOM 1250 O ASP A 102 9.263 -22.701 -9.004 1.00 0.00 O ATOM 1251 CB ASP A 102 7.156 -25.061 -8.753 1.00 0.00 C ATOM 1252 CG ASP A 102 8.294 -25.778 -9.495 1.00 0.00 C ATOM 1253 OD1 ASP A 102 9.005 -26.585 -8.853 1.00 0.00 O ATOM 1254 OD2 ASP A 102 8.498 -25.546 -10.697 1.00 0.00 O ATOM 0 H ASP A 102 5.694 -23.491 -7.229 1.00 0.00 H new ATOM 0 HA ASP A 102 8.521 -24.407 -7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.555 -25.798 -8.221 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.501 -24.580 -9.480 1.00 0.00 H new ATOM 1259 N GLN A 103 7.318 -21.665 -8.436 1.00 0.00 N ATOM 1260 CA GLN A 103 7.508 -20.432 -9.229 1.00 0.00 C ATOM 1261 C GLN A 103 8.778 -19.650 -8.823 1.00 0.00 C ATOM 1262 O GLN A 103 9.381 -18.969 -9.660 1.00 0.00 O ATOM 1263 CB GLN A 103 6.248 -19.524 -9.105 1.00 0.00 C ATOM 1264 CG GLN A 103 6.189 -18.361 -10.114 1.00 0.00 C ATOM 1265 CD GLN A 103 6.246 -18.811 -11.589 1.00 0.00 C ATOM 1266 OE1 GLN A 103 6.787 -18.105 -12.438 1.00 0.00 O ATOM 1267 NE2 GLN A 103 5.662 -19.964 -11.919 1.00 0.00 N ATOM 0 H GLN A 103 6.485 -21.641 -7.847 1.00 0.00 H new ATOM 0 HA GLN A 103 7.645 -20.733 -10.268 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.359 -20.141 -9.231 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.211 -19.114 -8.096 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.270 -17.798 -9.951 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.018 -17.681 -9.919 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.219 -20.535 -11.200 1.00 0.00 H new ATOM 0 HE22 GLN A 103 5.659 -20.274 -12.891 1.00 0.00 H new