USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 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 Set 1.1: A 89 SER OG : rot -78:sc= 0.683 USER MOD Set 1.2: A 90 MET CE :methyl 154:sc= -3.74 (180deg=-4.45!) USER MOD Set 2.1: A 55 GLN : amide:sc= 0.0035 K(o=0.45,f=-0.28) USER MOD Set 2.2: A 58 SER OG : rot 54:sc= 0.447 USER MOD Single : A 24 THR OG1 : rot 26:sc= 0.0677 USER MOD Single : A 33 ASN : amide:sc= -0.0614 X(o=-0.061,f=-0.53) USER MOD Single : A 34 HIS : no HE2:sc= 0.2 K(o=0.2,f=-1.8) USER MOD Single : A 35 ASN : amide:sc= -0.0672 K(o=-0.067,f=-2.2!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.695) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0.116 (180deg=0.101) USER MOD Single : A 56 THR OG1 : rot 70:sc= 1.05 USER MOD Single : A 57 GLN : amide:sc= -0.0654 X(o=-0.065,f=-0.03) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.044) USER MOD Single : A 63 SER OG : rot -170:sc= -0.93 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 49:sc= -1.58 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 94 CYS SG : rot 180:sc= -2.22! USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 0.971 -9.801 0.739 1.00 0.00 N ATOM 55 CA THR A 24 1.264 -11.050 1.446 1.00 0.00 C ATOM 56 C THR A 24 1.344 -12.197 0.428 1.00 0.00 C ATOM 57 O THR A 24 0.329 -12.574 -0.173 1.00 0.00 O ATOM 58 CB THR A 24 0.179 -11.347 2.538 1.00 0.00 C ATOM 59 OG1 THR A 24 0.129 -10.250 3.470 1.00 0.00 O ATOM 60 CG2 THR A 24 0.455 -12.662 3.301 1.00 0.00 C ATOM 0 HA THR A 24 2.222 -10.955 1.958 1.00 0.00 H new ATOM 0 HB THR A 24 -0.778 -11.462 2.029 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.442 -9.432 3.030 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.325 -12.821 4.046 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.462 -13.496 2.599 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.423 -12.598 3.798 1.00 0.00 H new ATOM 68 N LEU A 25 2.563 -12.709 0.201 1.00 0.00 N ATOM 69 CA LEU A 25 2.795 -13.811 -0.738 1.00 0.00 C ATOM 70 C LEU A 25 2.396 -15.134 -0.068 1.00 0.00 C ATOM 71 O LEU A 25 3.120 -15.661 0.785 1.00 0.00 O ATOM 72 CB LEU A 25 4.271 -13.803 -1.217 1.00 0.00 C ATOM 73 CG LEU A 25 4.682 -12.538 -2.049 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.192 -12.542 -2.379 1.00 0.00 C ATOM 75 CD2 LEU A 25 3.813 -12.404 -3.336 1.00 0.00 C ATOM 0 H LEU A 25 3.409 -12.372 0.661 1.00 0.00 H new ATOM 0 HA LEU A 25 2.177 -13.690 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.922 -13.876 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.448 -14.692 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 25 4.491 -11.660 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.441 -11.651 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.767 -12.547 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.435 -13.431 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.121 -11.518 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.947 -13.288 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.763 -12.311 -3.058 1.00 0.00 H new ATOM 87 N VAL A 26 1.203 -15.614 -0.437 1.00 0.00 N ATOM 88 CA VAL A 26 0.604 -16.833 0.107 1.00 0.00 C ATOM 89 C VAL A 26 0.938 -18.003 -0.826 1.00 0.00 C ATOM 90 O VAL A 26 0.865 -17.861 -2.050 1.00 0.00 O ATOM 91 CB VAL A 26 -0.964 -16.683 0.244 1.00 0.00 C ATOM 92 CG1 VAL A 26 -1.617 -17.955 0.849 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.344 -15.414 1.058 1.00 0.00 C ATOM 0 H VAL A 26 0.618 -15.156 -1.135 1.00 0.00 H new ATOM 0 HA VAL A 26 1.010 -17.017 1.102 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.362 -16.564 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.695 -17.809 0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.411 -18.811 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.204 -18.139 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.429 -15.341 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.915 -15.481 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.955 -14.529 0.555 1.00 0.00 H new ATOM 103 N ARG A 27 1.323 -19.139 -0.243 1.00 0.00 N ATOM 104 CA ARG A 27 1.720 -20.350 -0.989 1.00 0.00 C ATOM 105 C ARG A 27 0.597 -21.406 -0.875 1.00 0.00 C ATOM 106 O ARG A 27 -0.320 -21.254 -0.053 1.00 0.00 O ATOM 107 CB ARG A 27 3.084 -20.838 -0.430 1.00 0.00 C ATOM 108 CG ARG A 27 3.792 -21.957 -1.218 1.00 0.00 C ATOM 109 CD ARG A 27 5.157 -22.302 -0.607 1.00 0.00 C ATOM 110 NE ARG A 27 5.778 -23.475 -1.245 1.00 0.00 N ATOM 111 CZ ARG A 27 7.084 -23.783 -1.199 1.00 0.00 C ATOM 112 NH1 ARG A 27 7.947 -22.998 -0.556 1.00 0.00 N ATOM 113 NH2 ARG A 27 7.515 -24.884 -1.788 1.00 0.00 N ATOM 0 H ARG A 27 1.371 -19.253 0.769 1.00 0.00 H new ATOM 0 HA ARG A 27 1.852 -20.149 -2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.756 -19.982 -0.376 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.929 -21.186 0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.163 -22.847 -1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.925 -21.645 -2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.823 -21.444 -0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.037 -22.493 0.459 1.00 0.00 H new ATOM 0 HE ARG A 27 5.166 -24.105 -1.764 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.618 -22.152 -0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.937 -23.243 -0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.857 -25.494 -2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.506 -25.124 -1.757 1.00 0.00 H new ATOM 127 N ILE A 28 0.673 -22.457 -1.715 1.00 0.00 N ATOM 128 CA ILE A 28 -0.392 -23.472 -1.885 1.00 0.00 C ATOM 129 C ILE A 28 -0.822 -24.144 -0.555 1.00 0.00 C ATOM 130 O ILE A 28 -2.022 -24.320 -0.315 1.00 0.00 O ATOM 131 CB ILE A 28 0.025 -24.549 -2.959 1.00 0.00 C ATOM 132 CG1 ILE A 28 -1.121 -25.592 -3.210 1.00 0.00 C ATOM 133 CG2 ILE A 28 1.356 -25.246 -2.581 1.00 0.00 C ATOM 134 CD1 ILE A 28 -0.807 -26.643 -4.265 1.00 0.00 C ATOM 0 H ILE A 28 1.487 -22.630 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.270 -22.937 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 28 0.191 -24.020 -3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.346 -26.097 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.022 -25.056 -3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.611 -25.981 -3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.150 -24.502 -2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.245 -25.746 -1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.656 -27.319 -4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.613 -26.154 -5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.073 -27.210 -3.963 1.00 0.00 H new ATOM 146 N ALA A 29 0.153 -24.472 0.316 1.00 0.00 N ATOM 147 CA ALA A 29 -0.133 -25.129 1.611 1.00 0.00 C ATOM 148 C ALA A 29 -0.819 -24.163 2.591 1.00 0.00 C ATOM 149 O ALA A 29 -1.674 -24.580 3.359 1.00 0.00 O ATOM 150 CB ALA A 29 1.138 -25.723 2.239 1.00 0.00 C ATOM 0 H ALA A 29 1.143 -24.294 0.149 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.820 -25.950 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.888 -26.197 3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.564 -26.465 1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.865 -24.929 2.410 1.00 0.00 H new ATOM 156 N ASP A 30 -0.449 -22.861 2.538 1.00 0.00 N ATOM 157 CA ASP A 30 -1.052 -21.806 3.396 1.00 0.00 C ATOM 158 C ASP A 30 -2.547 -21.644 3.083 1.00 0.00 C ATOM 159 O ASP A 30 -3.348 -21.355 3.976 1.00 0.00 O ATOM 160 CB ASP A 30 -0.329 -20.451 3.206 1.00 0.00 C ATOM 161 CG ASP A 30 1.169 -20.521 3.525 1.00 0.00 C ATOM 162 OD1 ASP A 30 1.949 -20.939 2.650 1.00 0.00 O ATOM 163 OD2 ASP A 30 1.580 -20.173 4.656 1.00 0.00 O ATOM 0 H ASP A 30 0.270 -22.512 1.905 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.936 -22.118 4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.460 -20.117 2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.797 -19.703 3.846 1.00 0.00 H new ATOM 168 N LEU A 31 -2.902 -21.837 1.793 1.00 0.00 N ATOM 169 CA LEU A 31 -4.304 -21.848 1.329 1.00 0.00 C ATOM 170 C LEU A 31 -5.075 -22.998 2.006 1.00 0.00 C ATOM 171 O LEU A 31 -6.057 -22.761 2.701 1.00 0.00 O ATOM 172 CB LEU A 31 -4.376 -22.028 -0.207 1.00 0.00 C ATOM 173 CG LEU A 31 -3.744 -20.899 -1.067 1.00 0.00 C ATOM 174 CD1 LEU A 31 -3.731 -21.303 -2.559 1.00 0.00 C ATOM 175 CD2 LEU A 31 -4.476 -19.549 -0.841 1.00 0.00 C ATOM 0 H LEU A 31 -2.224 -21.989 1.046 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.754 -20.892 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.886 -22.967 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.424 -22.127 -0.490 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.710 -20.758 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.285 -20.502 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.146 -22.214 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.752 -21.478 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.013 -18.777 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.525 -19.653 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.405 -19.268 0.210 1.00 0.00 H new ATOM 187 N GLU A 32 -4.555 -24.233 1.820 1.00 0.00 N ATOM 188 CA GLU A 32 -5.202 -25.479 2.281 1.00 0.00 C ATOM 189 C GLU A 32 -5.347 -25.512 3.811 1.00 0.00 C ATOM 190 O GLU A 32 -6.376 -25.928 4.336 1.00 0.00 O ATOM 191 CB GLU A 32 -4.388 -26.718 1.797 1.00 0.00 C ATOM 192 CG GLU A 32 -4.210 -26.819 0.267 1.00 0.00 C ATOM 193 CD GLU A 32 -5.547 -26.794 -0.496 1.00 0.00 C ATOM 194 OE1 GLU A 32 -6.355 -27.741 -0.328 1.00 0.00 O ATOM 195 OE2 GLU A 32 -5.813 -25.827 -1.243 1.00 0.00 O ATOM 0 H GLU A 32 -3.668 -24.392 1.342 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.203 -25.510 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.403 -26.692 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.884 -27.622 2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.586 -25.993 -0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.679 -27.740 0.028 1.00 0.00 H new ATOM 202 N ASN A 33 -4.305 -25.039 4.501 1.00 0.00 N ATOM 203 CA ASN A 33 -4.219 -25.065 5.975 1.00 0.00 C ATOM 204 C ASN A 33 -5.161 -24.030 6.609 1.00 0.00 C ATOM 205 O ASN A 33 -5.776 -24.307 7.636 1.00 0.00 O ATOM 206 CB ASN A 33 -2.747 -24.847 6.431 1.00 0.00 C ATOM 207 CG ASN A 33 -1.844 -26.066 6.158 1.00 0.00 C ATOM 208 OD1 ASN A 33 -2.268 -27.215 6.307 1.00 0.00 O ATOM 209 ND2 ASN A 33 -0.611 -25.837 5.719 1.00 0.00 N ATOM 0 H ASN A 33 -3.488 -24.623 4.054 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.543 -26.047 6.320 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.338 -23.977 5.917 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.732 -24.623 7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.005 -26.619 5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.281 -24.879 5.603 1.00 0.00 H new ATOM 216 N HIS A 34 -5.279 -22.845 5.975 1.00 0.00 N ATOM 217 CA HIS A 34 -6.181 -21.766 6.446 1.00 0.00 C ATOM 218 C HIS A 34 -7.652 -22.144 6.159 1.00 0.00 C ATOM 219 O HIS A 34 -8.543 -21.909 6.985 1.00 0.00 O ATOM 220 CB HIS A 34 -5.824 -20.422 5.758 1.00 0.00 C ATOM 221 CG HIS A 34 -6.533 -19.225 6.341 1.00 0.00 C ATOM 222 ND1 HIS A 34 -7.727 -18.735 5.859 1.00 0.00 N ATOM 223 CD2 HIS A 34 -6.207 -18.437 7.388 1.00 0.00 C ATOM 224 CE1 HIS A 34 -8.095 -17.694 6.582 1.00 0.00 C ATOM 225 NE2 HIS A 34 -7.193 -17.496 7.519 1.00 0.00 N ATOM 0 H HIS A 34 -4.759 -22.608 5.130 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.052 -21.646 7.522 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.748 -20.264 5.830 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.066 -20.493 4.698 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.245 -19.117 5.068 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.328 -18.532 8.009 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.987 -17.104 6.430 1.00 0.00 H new ATOM 234 N ASN A 35 -7.861 -22.758 4.978 1.00 0.00 N ATOM 235 CA ASN A 35 -9.194 -23.119 4.442 1.00 0.00 C ATOM 236 C ASN A 35 -9.839 -24.223 5.288 1.00 0.00 C ATOM 237 O ASN A 35 -10.990 -24.097 5.722 1.00 0.00 O ATOM 238 CB ASN A 35 -9.061 -23.570 2.965 1.00 0.00 C ATOM 239 CG ASN A 35 -10.399 -23.797 2.256 1.00 0.00 C ATOM 240 OD1 ASN A 35 -10.952 -22.882 1.656 1.00 0.00 O ATOM 241 ND2 ASN A 35 -10.919 -25.021 2.298 1.00 0.00 N ATOM 0 H ASN A 35 -7.097 -23.023 4.357 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.840 -22.242 4.487 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.495 -22.817 2.416 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.482 -24.493 2.929 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.800 -25.217 1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.437 -25.763 2.805 1.00 0.00 H new ATOM 248 N ASN A 36 -9.061 -25.289 5.525 1.00 0.00 N ATOM 249 CA ASN A 36 -9.494 -26.461 6.310 1.00 0.00 C ATOM 250 C ASN A 36 -9.656 -26.088 7.804 1.00 0.00 C ATOM 251 O ASN A 36 -10.471 -26.681 8.513 1.00 0.00 O ATOM 252 CB ASN A 36 -8.470 -27.622 6.132 1.00 0.00 C ATOM 253 CG ASN A 36 -8.861 -28.929 6.839 1.00 0.00 C ATOM 254 OD1 ASN A 36 -10.041 -29.250 6.971 1.00 0.00 O ATOM 255 ND2 ASN A 36 -7.876 -29.693 7.295 1.00 0.00 N ATOM 0 H ASN A 36 -8.106 -25.366 5.176 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.465 -26.794 5.944 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.348 -27.822 5.067 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.501 -27.296 6.509 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.089 -30.571 7.769 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.906 -29.402 7.172 1.00 0.00 H new ATOM 262 N ASP A 37 -8.876 -25.084 8.266 1.00 0.00 N ATOM 263 CA ASP A 37 -8.939 -24.582 9.661 1.00 0.00 C ATOM 264 C ASP A 37 -10.277 -23.846 9.933 1.00 0.00 C ATOM 265 O ASP A 37 -10.713 -23.747 11.084 1.00 0.00 O ATOM 266 CB ASP A 37 -7.724 -23.658 9.952 1.00 0.00 C ATOM 267 CG ASP A 37 -7.584 -23.274 11.439 1.00 0.00 C ATOM 268 OD1 ASP A 37 -7.230 -24.153 12.256 1.00 0.00 O ATOM 269 OD2 ASP A 37 -7.804 -22.098 11.800 1.00 0.00 O ATOM 0 H ASP A 37 -8.189 -24.601 7.688 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.894 -25.437 10.336 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.812 -24.158 9.627 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.819 -22.749 9.358 1.00 0.00 H new ATOM 274 N GLY A 38 -10.917 -23.331 8.856 1.00 0.00 N ATOM 275 CA GLY A 38 -12.254 -22.714 8.943 1.00 0.00 C ATOM 276 C GLY A 38 -12.400 -21.457 8.088 1.00 0.00 C ATOM 277 O GLY A 38 -13.517 -21.099 7.687 1.00 0.00 O ATOM 0 H GLY A 38 -10.523 -23.333 7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.003 -23.443 8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.463 -22.463 9.983 1.00 0.00 H new ATOM 281 N GLY A 39 -11.277 -20.768 7.842 1.00 0.00 N ATOM 282 CA GLY A 39 -11.272 -19.539 7.040 1.00 0.00 C ATOM 283 C GLY A 39 -11.115 -19.868 5.569 1.00 0.00 C ATOM 284 O GLY A 39 -10.004 -20.158 5.127 1.00 0.00 O ATOM 0 H GLY A 39 -10.358 -21.043 8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.200 -18.990 7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.458 -18.890 7.363 1.00 0.00 H new ATOM 288 N PHE A 40 -12.211 -19.797 4.793 1.00 0.00 N ATOM 289 CA PHE A 40 -12.232 -20.326 3.420 1.00 0.00 C ATOM 290 C PHE A 40 -11.458 -19.372 2.486 1.00 0.00 C ATOM 291 O PHE A 40 -11.925 -18.273 2.194 1.00 0.00 O ATOM 292 CB PHE A 40 -13.702 -20.513 2.928 1.00 0.00 C ATOM 293 CG PHE A 40 -13.847 -21.439 1.706 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.560 -20.995 0.409 1.00 0.00 C ATOM 295 CD2 PHE A 40 -14.268 -22.764 1.859 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.684 -21.840 -0.682 1.00 0.00 C ATOM 297 CE2 PHE A 40 -14.389 -23.607 0.763 1.00 0.00 C ATOM 298 CZ PHE A 40 -14.102 -23.142 -0.506 1.00 0.00 C ATOM 0 H PHE A 40 -13.092 -19.379 5.094 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.748 -21.302 3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.299 -20.915 3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.117 -19.536 2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.236 -19.976 0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.503 -23.137 2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.453 -21.478 -1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.708 -24.629 0.903 1.00 0.00 H new ATOM 0 HZ PHE A 40 -14.205 -23.797 -1.358 1.00 0.00 H new ATOM 308 N TRP A 41 -10.268 -19.817 2.046 1.00 0.00 N ATOM 309 CA TRP A 41 -9.390 -19.061 1.134 1.00 0.00 C ATOM 310 C TRP A 41 -9.396 -19.702 -0.255 1.00 0.00 C ATOM 311 O TRP A 41 -9.367 -20.933 -0.380 1.00 0.00 O ATOM 312 CB TRP A 41 -7.925 -18.970 1.701 1.00 0.00 C ATOM 313 CG TRP A 41 -7.654 -17.753 2.551 1.00 0.00 C ATOM 314 CD1 TRP A 41 -8.555 -16.829 2.981 1.00 0.00 C ATOM 315 CD2 TRP A 41 -6.379 -17.315 3.052 1.00 0.00 C ATOM 316 NE1 TRP A 41 -7.934 -15.857 3.714 1.00 0.00 N ATOM 317 CE2 TRP A 41 -6.599 -16.136 3.779 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.082 -17.827 2.968 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -5.574 -15.435 4.400 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.060 -17.134 3.591 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.311 -15.953 4.301 1.00 0.00 C ATOM 0 H TRP A 41 -9.884 -20.722 2.317 1.00 0.00 H new ATOM 0 HA TRP A 41 -9.776 -18.045 1.052 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.723 -19.863 2.293 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.225 -18.976 0.865 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.614 -16.859 2.772 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.393 -15.054 4.143 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.882 -18.742 2.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.765 -14.519 4.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.050 -17.510 3.529 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.490 -15.440 4.781 1.00 0.00 H new ATOM 332 N THR A 42 -9.440 -18.845 -1.285 1.00 0.00 N ATOM 333 CA THR A 42 -9.350 -19.251 -2.692 1.00 0.00 C ATOM 334 C THR A 42 -8.590 -18.169 -3.479 1.00 0.00 C ATOM 335 O THR A 42 -8.533 -17.001 -3.061 1.00 0.00 O ATOM 336 CB THR A 42 -10.773 -19.506 -3.311 1.00 0.00 C ATOM 337 OG1 THR A 42 -10.647 -20.232 -4.545 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.568 -18.202 -3.556 1.00 0.00 C ATOM 0 H THR A 42 -9.540 -17.838 -1.161 1.00 0.00 H new ATOM 0 HA THR A 42 -8.806 -20.193 -2.754 1.00 0.00 H new ATOM 0 HB THR A 42 -11.333 -20.091 -2.582 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.537 -20.389 -4.924 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.541 -18.444 -3.984 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.708 -17.678 -2.611 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.016 -17.564 -4.246 1.00 0.00 H new ATOM 346 N VAL A 43 -7.992 -18.568 -4.613 1.00 0.00 N ATOM 347 CA VAL A 43 -7.184 -17.673 -5.458 1.00 0.00 C ATOM 348 C VAL A 43 -7.932 -17.356 -6.759 1.00 0.00 C ATOM 349 O VAL A 43 -8.252 -18.265 -7.532 1.00 0.00 O ATOM 350 CB VAL A 43 -5.785 -18.307 -5.776 1.00 0.00 C ATOM 351 CG1 VAL A 43 -4.942 -17.406 -6.727 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.022 -18.603 -4.463 1.00 0.00 C ATOM 0 H VAL A 43 -8.055 -19.521 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.018 -16.746 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.954 -19.248 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.981 -17.882 -6.922 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.476 -17.269 -7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.778 -16.436 -6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.052 -19.043 -4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.876 -17.675 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.600 -19.300 -3.856 1.00 0.00 H new ATOM 362 N ILE A 44 -8.232 -16.066 -6.968 1.00 0.00 N ATOM 363 CA ILE A 44 -8.833 -15.555 -8.211 1.00 0.00 C ATOM 364 C ILE A 44 -7.950 -14.405 -8.744 1.00 0.00 C ATOM 365 O ILE A 44 -7.620 -13.487 -7.985 1.00 0.00 O ATOM 366 CB ILE A 44 -10.310 -15.031 -7.980 1.00 0.00 C ATOM 367 CG1 ILE A 44 -11.173 -16.086 -7.194 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.985 -14.665 -9.333 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.557 -15.612 -6.773 1.00 0.00 C ATOM 0 H ILE A 44 -8.063 -15.340 -6.272 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.886 -16.370 -8.933 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.251 -14.128 -7.372 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.285 -16.974 -7.815 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.624 -16.388 -6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.998 -14.308 -9.149 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.409 -13.883 -9.827 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.022 -15.547 -9.972 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.069 -16.413 -6.239 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.461 -14.744 -6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.133 -15.340 -7.657 1.00 0.00 H new ATOM 381 N ASP A 45 -7.547 -14.499 -10.032 1.00 0.00 N ATOM 382 CA ASP A 45 -6.735 -13.467 -10.746 1.00 0.00 C ATOM 383 C ASP A 45 -5.329 -13.302 -10.088 1.00 0.00 C ATOM 384 O ASP A 45 -4.708 -12.231 -10.126 1.00 0.00 O ATOM 385 CB ASP A 45 -7.544 -12.122 -10.810 1.00 0.00 C ATOM 386 CG ASP A 45 -6.930 -11.032 -11.708 1.00 0.00 C ATOM 387 OD1 ASP A 45 -6.829 -11.245 -12.932 1.00 0.00 O ATOM 388 OD2 ASP A 45 -6.544 -9.956 -11.195 1.00 0.00 O ATOM 0 H ASP A 45 -7.776 -15.301 -10.619 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.547 -13.791 -11.770 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.551 -12.339 -11.165 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.641 -11.726 -9.799 1.00 0.00 H new ATOM 393 N GLY A 46 -4.826 -14.416 -9.513 1.00 0.00 N ATOM 394 CA GLY A 46 -3.515 -14.454 -8.846 1.00 0.00 C ATOM 395 C GLY A 46 -3.524 -13.844 -7.439 1.00 0.00 C ATOM 396 O GLY A 46 -2.487 -13.793 -6.781 1.00 0.00 O ATOM 0 H GLY A 46 -5.319 -15.309 -9.500 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.179 -15.489 -8.782 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.789 -13.921 -9.460 1.00 0.00 H new ATOM 400 N LYS A 47 -4.699 -13.390 -6.975 1.00 0.00 N ATOM 401 CA LYS A 47 -4.879 -12.780 -5.640 1.00 0.00 C ATOM 402 C LYS A 47 -5.670 -13.735 -4.734 1.00 0.00 C ATOM 403 O LYS A 47 -6.503 -14.504 -5.213 1.00 0.00 O ATOM 404 CB LYS A 47 -5.612 -11.416 -5.763 1.00 0.00 C ATOM 405 CG LYS A 47 -4.767 -10.251 -6.333 1.00 0.00 C ATOM 406 CD LYS A 47 -3.651 -9.809 -5.358 1.00 0.00 C ATOM 407 CE LYS A 47 -2.934 -8.528 -5.812 1.00 0.00 C ATOM 408 NZ LYS A 47 -1.971 -8.045 -4.796 1.00 0.00 N ATOM 0 H LYS A 47 -5.561 -13.435 -7.518 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.899 -12.603 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.488 -11.551 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.975 -11.129 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.321 -10.557 -7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.418 -9.403 -6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.082 -9.648 -4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.921 -10.613 -5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.409 -8.718 -6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.671 -7.751 -6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.969 -7.005 -4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.249 -8.399 -3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.018 -8.391 -5.028 1.00 0.00 H new ATOM 422 N VAL A 48 -5.397 -13.670 -3.422 1.00 0.00 N ATOM 423 CA VAL A 48 -6.055 -14.508 -2.403 1.00 0.00 C ATOM 424 C VAL A 48 -7.173 -13.710 -1.707 1.00 0.00 C ATOM 425 O VAL A 48 -6.970 -12.547 -1.327 1.00 0.00 O ATOM 426 CB VAL A 48 -5.018 -15.019 -1.334 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.675 -15.965 -0.288 1.00 0.00 C ATOM 428 CG2 VAL A 48 -3.818 -15.701 -2.034 1.00 0.00 C ATOM 0 H VAL A 48 -4.706 -13.028 -3.033 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.486 -15.375 -2.903 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.652 -14.152 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.923 -16.293 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.469 -15.433 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.095 -16.833 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.109 -16.049 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.172 -16.549 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.326 -14.985 -2.693 1.00 0.00 H new ATOM 438 N TYR A 49 -8.349 -14.352 -1.548 1.00 0.00 N ATOM 439 CA TYR A 49 -9.551 -13.742 -0.939 1.00 0.00 C ATOM 440 C TYR A 49 -10.169 -14.721 0.073 1.00 0.00 C ATOM 441 O TYR A 49 -9.949 -15.933 -0.025 1.00 0.00 O ATOM 442 CB TYR A 49 -10.608 -13.411 -2.029 1.00 0.00 C ATOM 443 CG TYR A 49 -10.094 -12.524 -3.177 1.00 0.00 C ATOM 444 CD1 TYR A 49 -10.021 -11.136 -3.043 1.00 0.00 C ATOM 445 CD2 TYR A 49 -9.670 -13.080 -4.390 1.00 0.00 C ATOM 446 CE1 TYR A 49 -9.542 -10.340 -4.065 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.196 -12.284 -5.409 1.00 0.00 C ATOM 448 CZ TYR A 49 -9.137 -10.919 -5.242 1.00 0.00 C ATOM 449 OH TYR A 49 -8.649 -10.129 -6.259 1.00 0.00 O ATOM 0 H TYR A 49 -8.493 -15.318 -1.842 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.254 -12.821 -0.438 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.981 -14.345 -2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.455 -12.914 -1.555 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.346 -10.676 -2.122 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.715 -14.150 -4.529 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.486 -9.269 -3.939 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.871 -12.730 -6.337 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.405 -10.693 -7.023 1.00 0.00 H new ATOM 459 N ASP A 50 -10.962 -14.191 1.029 1.00 0.00 N ATOM 460 CA ASP A 50 -11.718 -15.016 1.992 1.00 0.00 C ATOM 461 C ASP A 50 -13.214 -14.988 1.618 1.00 0.00 C ATOM 462 O ASP A 50 -13.853 -13.932 1.654 1.00 0.00 O ATOM 463 CB ASP A 50 -11.507 -14.521 3.448 1.00 0.00 C ATOM 464 CG ASP A 50 -11.951 -15.563 4.507 1.00 0.00 C ATOM 465 OD1 ASP A 50 -13.140 -15.607 4.867 1.00 0.00 O ATOM 466 OD2 ASP A 50 -11.098 -16.354 4.981 1.00 0.00 O ATOM 0 H ASP A 50 -11.095 -13.187 1.153 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.350 -16.041 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.454 -14.284 3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.066 -13.597 3.597 1.00 0.00 H new ATOM 471 N ILE A 51 -13.748 -16.164 1.252 1.00 0.00 N ATOM 472 CA ILE A 51 -15.143 -16.347 0.800 1.00 0.00 C ATOM 473 C ILE A 51 -16.154 -16.179 1.957 1.00 0.00 C ATOM 474 O ILE A 51 -17.261 -15.666 1.751 1.00 0.00 O ATOM 475 CB ILE A 51 -15.300 -17.767 0.119 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.458 -17.840 -1.198 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.781 -18.164 -0.140 1.00 0.00 C ATOM 478 CD1 ILE A 51 -14.896 -16.868 -2.280 1.00 0.00 C ATOM 0 H ILE A 51 -13.215 -17.033 1.261 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.366 -15.569 0.070 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.913 -18.498 0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.412 -17.649 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.513 -18.854 -1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.817 -19.148 -0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -17.321 -18.192 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -17.244 -17.431 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.258 -16.987 -3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -15.931 -17.071 -2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.813 -15.847 -1.907 1.00 0.00 H new ATOM 490 N LYS A 52 -15.753 -16.586 3.167 1.00 0.00 N ATOM 491 CA LYS A 52 -16.627 -16.548 4.358 1.00 0.00 C ATOM 492 C LYS A 52 -16.897 -15.085 4.782 1.00 0.00 C ATOM 493 O LYS A 52 -18.042 -14.709 5.048 1.00 0.00 O ATOM 494 CB LYS A 52 -15.967 -17.352 5.505 1.00 0.00 C ATOM 495 CG LYS A 52 -16.750 -17.360 6.842 1.00 0.00 C ATOM 496 CD LYS A 52 -16.018 -18.158 7.948 1.00 0.00 C ATOM 497 CE LYS A 52 -14.597 -17.618 8.225 1.00 0.00 C ATOM 498 NZ LYS A 52 -13.928 -18.365 9.310 1.00 0.00 N ATOM 0 H LYS A 52 -14.819 -16.950 3.354 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.588 -17.005 4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.833 -18.382 5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.973 -16.944 5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.902 -16.334 7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.738 -17.791 6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.603 -18.120 8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.954 -19.206 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.999 -17.684 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.655 -16.563 8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.012 -17.921 9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.526 -18.352 10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.774 -19.349 9.010 1.00 0.00 H new ATOM 512 N ASP A 53 -15.823 -14.269 4.785 1.00 0.00 N ATOM 513 CA ASP A 53 -15.878 -12.822 5.118 1.00 0.00 C ATOM 514 C ASP A 53 -16.679 -12.061 4.043 1.00 0.00 C ATOM 515 O ASP A 53 -17.468 -11.156 4.349 1.00 0.00 O ATOM 516 CB ASP A 53 -14.440 -12.245 5.226 1.00 0.00 C ATOM 517 CG ASP A 53 -14.410 -10.785 5.725 1.00 0.00 C ATOM 518 OD1 ASP A 53 -14.577 -10.563 6.942 1.00 0.00 O ATOM 519 OD2 ASP A 53 -14.208 -9.850 4.920 1.00 0.00 O ATOM 0 H ASP A 53 -14.884 -14.594 4.555 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.378 -12.699 6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.855 -12.867 5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.959 -12.299 4.249 1.00 0.00 H new ATOM 524 N PHE A 54 -16.442 -12.458 2.778 1.00 0.00 N ATOM 525 CA PHE A 54 -17.187 -11.993 1.587 1.00 0.00 C ATOM 526 C PHE A 54 -18.715 -12.166 1.779 1.00 0.00 C ATOM 527 O PHE A 54 -19.487 -11.228 1.583 1.00 0.00 O ATOM 528 CB PHE A 54 -16.665 -12.788 0.351 1.00 0.00 C ATOM 529 CG PHE A 54 -17.430 -12.587 -0.962 1.00 0.00 C ATOM 530 CD1 PHE A 54 -17.082 -11.575 -1.850 1.00 0.00 C ATOM 531 CD2 PHE A 54 -18.495 -13.422 -1.308 1.00 0.00 C ATOM 532 CE1 PHE A 54 -17.780 -11.397 -3.028 1.00 0.00 C ATOM 533 CE2 PHE A 54 -19.193 -13.236 -2.484 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.832 -12.226 -3.344 1.00 0.00 C ATOM 0 H PHE A 54 -15.709 -13.128 2.548 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.019 -10.927 1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.623 -12.515 0.184 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.681 -13.850 0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.256 -10.920 -1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -18.777 -14.226 -0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.499 -10.603 -3.705 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -20.022 -13.883 -2.728 1.00 0.00 H new ATOM 0 HZ PHE A 54 -19.374 -12.083 -4.267 1.00 0.00 H new ATOM 544 N GLN A 55 -19.123 -13.372 2.200 1.00 0.00 N ATOM 545 CA GLN A 55 -20.548 -13.736 2.398 1.00 0.00 C ATOM 546 C GLN A 55 -21.161 -13.039 3.619 1.00 0.00 C ATOM 547 O GLN A 55 -22.365 -12.742 3.638 1.00 0.00 O ATOM 548 CB GLN A 55 -20.690 -15.268 2.522 1.00 0.00 C ATOM 549 CG GLN A 55 -20.512 -16.026 1.200 1.00 0.00 C ATOM 550 CD GLN A 55 -21.663 -15.771 0.212 1.00 0.00 C ATOM 551 OE1 GLN A 55 -22.659 -16.488 0.206 1.00 0.00 O ATOM 552 NE2 GLN A 55 -21.547 -14.744 -0.623 1.00 0.00 N ATOM 0 H GLN A 55 -18.477 -14.131 2.416 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.100 -13.391 1.523 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -19.954 -15.633 3.239 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -21.674 -15.498 2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -19.570 -15.729 0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.444 -17.094 1.404 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -20.710 -14.161 -0.601 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -22.295 -14.539 -1.286 1.00 0.00 H new ATOM 561 N THR A 56 -20.330 -12.787 4.638 1.00 0.00 N ATOM 562 CA THR A 56 -20.740 -12.013 5.825 1.00 0.00 C ATOM 563 C THR A 56 -21.080 -10.554 5.425 1.00 0.00 C ATOM 564 O THR A 56 -22.012 -9.952 5.964 1.00 0.00 O ATOM 565 CB THR A 56 -19.627 -12.044 6.916 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.279 -13.407 7.200 1.00 0.00 O ATOM 567 CG2 THR A 56 -20.056 -11.352 8.230 1.00 0.00 C ATOM 0 H THR A 56 -19.363 -13.109 4.667 1.00 0.00 H new ATOM 0 HA THR A 56 -21.635 -12.472 6.245 1.00 0.00 H new ATOM 0 HB THR A 56 -18.773 -11.494 6.519 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.811 -13.792 6.430 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.241 -11.405 8.952 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.296 -10.308 8.030 1.00 0.00 H new ATOM 0 HG23 THR A 56 -20.934 -11.855 8.636 1.00 0.00 H new ATOM 575 N GLN A 57 -20.330 -10.022 4.438 1.00 0.00 N ATOM 576 CA GLN A 57 -20.589 -8.700 3.835 1.00 0.00 C ATOM 577 C GLN A 57 -21.807 -8.746 2.887 1.00 0.00 C ATOM 578 O GLN A 57 -22.495 -7.737 2.708 1.00 0.00 O ATOM 579 CB GLN A 57 -19.323 -8.205 3.079 1.00 0.00 C ATOM 580 CG GLN A 57 -18.095 -7.962 3.979 1.00 0.00 C ATOM 581 CD GLN A 57 -18.307 -6.842 4.998 1.00 0.00 C ATOM 582 OE1 GLN A 57 -18.024 -5.679 4.727 1.00 0.00 O ATOM 583 NE2 GLN A 57 -18.814 -7.174 6.172 1.00 0.00 N ATOM 0 H GLN A 57 -19.524 -10.500 4.036 1.00 0.00 H new ATOM 0 HA GLN A 57 -20.821 -7.997 4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.060 -8.939 2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -19.565 -7.278 2.558 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.852 -8.884 4.507 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.237 -7.717 3.353 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -19.041 -8.148 6.373 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.979 -6.456 6.878 1.00 0.00 H new ATOM 592 N SER A 58 -22.066 -9.931 2.287 1.00 0.00 N ATOM 593 CA SER A 58 -23.232 -10.152 1.395 1.00 0.00 C ATOM 594 C SER A 58 -24.550 -10.114 2.185 1.00 0.00 C ATOM 595 O SER A 58 -25.601 -9.755 1.638 1.00 0.00 O ATOM 596 CB SER A 58 -23.105 -11.495 0.634 1.00 0.00 C ATOM 597 OG SER A 58 -21.849 -11.612 -0.023 1.00 0.00 O ATOM 0 H SER A 58 -21.478 -10.756 2.405 1.00 0.00 H new ATOM 0 HA SER A 58 -23.244 -9.341 0.666 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.228 -12.322 1.333 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.908 -11.575 -0.099 1.00 0.00 H new ATOM 0 HG SER A 58 -21.127 -11.460 0.622 1.00 0.00 H new ATOM 603 N LEU A 59 -24.466 -10.472 3.487 1.00 0.00 N ATOM 604 CA LEU A 59 -25.612 -10.460 4.417 1.00 0.00 C ATOM 605 C LEU A 59 -26.163 -9.023 4.608 1.00 0.00 C ATOM 606 O LEU A 59 -27.351 -8.833 4.889 1.00 0.00 O ATOM 607 CB LEU A 59 -25.185 -11.079 5.782 1.00 0.00 C ATOM 608 CG LEU A 59 -26.320 -11.282 6.840 1.00 0.00 C ATOM 609 CD1 LEU A 59 -27.380 -12.294 6.337 1.00 0.00 C ATOM 610 CD2 LEU A 59 -25.734 -11.691 8.220 1.00 0.00 C ATOM 0 H LEU A 59 -23.595 -10.778 3.921 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.415 -11.062 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -24.722 -12.046 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -24.418 -10.441 6.222 1.00 0.00 H new ATOM 0 HG LEU A 59 -26.828 -10.327 6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -28.156 -12.414 7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -27.827 -11.924 5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.904 -13.256 6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -26.546 -11.825 8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -25.182 -12.625 8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.062 -10.910 8.576 1.00 0.00 H new ATOM 622 N THR A 60 -25.286 -8.017 4.430 1.00 0.00 N ATOM 623 CA THR A 60 -25.661 -6.607 4.548 1.00 0.00 C ATOM 624 C THR A 60 -26.405 -6.137 3.268 1.00 0.00 C ATOM 625 O THR A 60 -25.947 -6.397 2.143 1.00 0.00 O ATOM 626 CB THR A 60 -24.397 -5.734 4.802 1.00 0.00 C ATOM 627 OG1 THR A 60 -23.642 -6.265 5.907 1.00 0.00 O ATOM 628 CG2 THR A 60 -24.743 -4.261 5.089 1.00 0.00 C ATOM 0 H THR A 60 -24.303 -8.164 4.201 1.00 0.00 H new ATOM 0 HA THR A 60 -26.335 -6.493 5.397 1.00 0.00 H new ATOM 0 HB THR A 60 -23.805 -5.765 3.887 1.00 0.00 H new ATOM 0 HG1 THR A 60 -22.848 -5.710 6.058 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.825 -3.698 5.259 1.00 0.00 H new ATOM 0 HG22 THR A 60 -25.275 -3.839 4.236 1.00 0.00 H new ATOM 0 HG23 THR A 60 -25.374 -4.202 5.976 1.00 0.00 H new ATOM 636 N GLU A 61 -27.553 -5.454 3.463 1.00 0.00 N ATOM 637 CA GLU A 61 -28.452 -5.048 2.367 1.00 0.00 C ATOM 638 C GLU A 61 -27.894 -3.843 1.575 1.00 0.00 C ATOM 639 O GLU A 61 -28.065 -3.761 0.354 1.00 0.00 O ATOM 640 CB GLU A 61 -29.872 -4.741 2.917 1.00 0.00 C ATOM 641 CG GLU A 61 -29.940 -3.607 3.964 1.00 0.00 C ATOM 642 CD GLU A 61 -31.374 -3.256 4.385 1.00 0.00 C ATOM 643 OE1 GLU A 61 -32.031 -2.484 3.659 1.00 0.00 O ATOM 644 OE2 GLU A 61 -31.859 -3.760 5.424 1.00 0.00 O ATOM 0 H GLU A 61 -27.881 -5.169 4.386 1.00 0.00 H new ATOM 0 HA GLU A 61 -28.519 -5.884 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.520 -4.481 2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -30.276 -5.650 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -29.371 -3.901 4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -29.460 -2.717 3.557 1.00 0.00 H new ATOM 651 N ASN A 62 -27.216 -2.917 2.277 1.00 0.00 N ATOM 652 CA ASN A 62 -26.628 -1.701 1.652 1.00 0.00 C ATOM 653 C ASN A 62 -25.284 -2.002 0.956 1.00 0.00 C ATOM 654 O ASN A 62 -24.736 -1.127 0.284 1.00 0.00 O ATOM 655 CB ASN A 62 -26.458 -0.551 2.689 1.00 0.00 C ATOM 656 CG ASN A 62 -25.628 -0.937 3.908 1.00 0.00 C ATOM 657 OD1 ASN A 62 -24.399 -0.837 3.907 1.00 0.00 O ATOM 658 ND2 ASN A 62 -26.298 -1.367 4.967 1.00 0.00 N ATOM 0 H ASN A 62 -27.057 -2.981 3.282 1.00 0.00 H new ATOM 0 HA ASN A 62 -27.332 -1.371 0.888 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -25.989 0.302 2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -27.444 -0.226 3.021 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -25.797 -1.628 5.816 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -27.315 -1.437 4.933 1.00 0.00 H new ATOM 665 N SER A 63 -24.756 -3.231 1.137 1.00 0.00 N ATOM 666 CA SER A 63 -23.538 -3.703 0.448 1.00 0.00 C ATOM 667 C SER A 63 -23.844 -4.047 -1.022 1.00 0.00 C ATOM 668 O SER A 63 -24.970 -4.434 -1.358 1.00 0.00 O ATOM 669 CB SER A 63 -22.953 -4.938 1.182 1.00 0.00 C ATOM 670 OG SER A 63 -22.508 -4.593 2.481 1.00 0.00 O ATOM 0 H SER A 63 -25.163 -3.924 1.765 1.00 0.00 H new ATOM 0 HA SER A 63 -22.799 -2.902 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.711 -5.718 1.249 1.00 0.00 H new ATOM 0 HB3 SER A 63 -22.123 -5.348 0.606 1.00 0.00 H new ATOM 0 HG SER A 63 -22.004 -5.341 2.863 1.00 0.00 H new ATOM 676 N ILE A 64 -22.820 -3.909 -1.880 1.00 0.00 N ATOM 677 CA ILE A 64 -22.898 -4.249 -3.316 1.00 0.00 C ATOM 678 C ILE A 64 -23.159 -5.751 -3.545 1.00 0.00 C ATOM 679 O ILE A 64 -23.681 -6.141 -4.587 1.00 0.00 O ATOM 680 CB ILE A 64 -21.581 -3.837 -4.076 1.00 0.00 C ATOM 681 CG1 ILE A 64 -20.327 -4.474 -3.387 1.00 0.00 C ATOM 682 CG2 ILE A 64 -21.452 -2.299 -4.179 1.00 0.00 C ATOM 683 CD1 ILE A 64 -19.003 -4.076 -3.983 1.00 0.00 C ATOM 0 H ILE A 64 -21.906 -3.556 -1.597 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.740 -3.684 -3.715 1.00 0.00 H new ATOM 0 HB ILE A 64 -21.638 -4.225 -5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -20.331 -4.198 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.418 -5.559 -3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -20.533 -2.046 -4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -22.307 -1.898 -4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -21.424 -1.868 -3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.197 -4.567 -3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.970 -4.377 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.882 -2.995 -3.912 1.00 0.00 H new ATOM 695 N LEU A 65 -22.803 -6.577 -2.542 1.00 0.00 N ATOM 696 CA LEU A 65 -22.943 -8.042 -2.598 1.00 0.00 C ATOM 697 C LEU A 65 -24.391 -8.499 -2.342 1.00 0.00 C ATOM 698 O LEU A 65 -24.667 -9.705 -2.319 1.00 0.00 O ATOM 699 CB LEU A 65 -21.972 -8.683 -1.581 1.00 0.00 C ATOM 700 CG LEU A 65 -20.467 -8.358 -1.784 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.592 -9.060 -0.723 1.00 0.00 C ATOM 702 CD2 LEU A 65 -20.030 -8.693 -3.227 1.00 0.00 C ATOM 0 H LEU A 65 -22.407 -6.242 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.690 -8.373 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.261 -8.363 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.099 -9.765 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.322 -7.287 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.544 -8.812 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.887 -8.725 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.726 -10.139 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.973 -8.459 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.192 -9.754 -3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.617 -8.103 -3.931 1.00 0.00 H new ATOM 714 N ALA A 66 -25.307 -7.523 -2.149 1.00 0.00 N ATOM 715 CA ALA A 66 -26.760 -7.777 -2.061 1.00 0.00 C ATOM 716 C ALA A 66 -27.309 -8.295 -3.411 1.00 0.00 C ATOM 717 O ALA A 66 -28.239 -9.109 -3.439 1.00 0.00 O ATOM 718 CB ALA A 66 -27.502 -6.502 -1.622 1.00 0.00 C ATOM 0 H ALA A 66 -25.058 -6.539 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.930 -8.549 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.571 -6.706 -1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -27.137 -6.187 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.324 -5.709 -2.348 1.00 0.00 H new ATOM 724 N GLN A 67 -26.712 -7.810 -4.528 1.00 0.00 N ATOM 725 CA GLN A 67 -27.070 -8.261 -5.899 1.00 0.00 C ATOM 726 C GLN A 67 -26.445 -9.643 -6.198 1.00 0.00 C ATOM 727 O GLN A 67 -26.928 -10.384 -7.065 1.00 0.00 O ATOM 728 CB GLN A 67 -26.612 -7.212 -6.961 1.00 0.00 C ATOM 729 CG GLN A 67 -25.094 -7.165 -7.218 1.00 0.00 C ATOM 730 CD GLN A 67 -24.656 -6.042 -8.157 1.00 0.00 C ATOM 731 OE1 GLN A 67 -24.623 -6.210 -9.371 1.00 0.00 O ATOM 732 NE2 GLN A 67 -24.303 -4.891 -7.599 1.00 0.00 N ATOM 0 H GLN A 67 -25.977 -7.103 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.155 -8.355 -5.955 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -27.118 -7.426 -7.902 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -26.941 -6.224 -6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.578 -7.049 -6.265 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -24.777 -8.120 -7.638 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -24.341 -4.783 -6.586 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -23.993 -4.115 -8.184 1.00 0.00 H new ATOM 741 N PHE A 68 -25.369 -9.971 -5.461 1.00 0.00 N ATOM 742 CA PHE A 68 -24.599 -11.226 -5.617 1.00 0.00 C ATOM 743 C PHE A 68 -25.034 -12.287 -4.584 1.00 0.00 C ATOM 744 O PHE A 68 -24.442 -13.369 -4.527 1.00 0.00 O ATOM 745 CB PHE A 68 -23.083 -10.920 -5.473 1.00 0.00 C ATOM 746 CG PHE A 68 -22.496 -10.053 -6.591 1.00 0.00 C ATOM 747 CD1 PHE A 68 -22.566 -10.469 -7.921 1.00 0.00 C ATOM 748 CD2 PHE A 68 -21.859 -8.840 -6.318 1.00 0.00 C ATOM 749 CE1 PHE A 68 -22.042 -9.689 -8.937 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.334 -8.064 -7.335 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.416 -8.493 -8.644 1.00 0.00 C ATOM 0 H PHE A 68 -25.001 -9.365 -4.728 1.00 0.00 H new ATOM 0 HA PHE A 68 -24.798 -11.634 -6.608 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -22.916 -10.420 -4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.538 -11.863 -5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -23.035 -11.412 -8.161 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.775 -8.503 -5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -22.123 -10.017 -9.963 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -20.859 -7.122 -7.105 1.00 0.00 H new ATOM 0 HZ PHE A 68 -20.992 -7.895 -9.437 1.00 0.00 H new ATOM 761 N ALA A 69 -26.073 -11.975 -3.784 1.00 0.00 N ATOM 762 CA ALA A 69 -26.611 -12.896 -2.761 1.00 0.00 C ATOM 763 C ALA A 69 -27.407 -14.056 -3.411 1.00 0.00 C ATOM 764 O ALA A 69 -27.638 -15.095 -2.780 1.00 0.00 O ATOM 765 CB ALA A 69 -27.484 -12.115 -1.768 1.00 0.00 C ATOM 0 H ALA A 69 -26.562 -11.081 -3.828 1.00 0.00 H new ATOM 0 HA ALA A 69 -25.776 -13.342 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.879 -12.798 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -26.883 -11.347 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.311 -11.646 -2.301 1.00 0.00 H new ATOM 771 N GLY A 70 -27.840 -13.846 -4.674 1.00 0.00 N ATOM 772 CA GLY A 70 -28.513 -14.883 -5.476 1.00 0.00 C ATOM 773 C GLY A 70 -27.542 -15.699 -6.328 1.00 0.00 C ATOM 774 O GLY A 70 -27.958 -16.608 -7.050 1.00 0.00 O ATOM 0 H GLY A 70 -27.732 -12.956 -5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -29.057 -15.554 -4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.250 -14.411 -6.126 1.00 0.00 H new ATOM 778 N GLU A 71 -26.239 -15.372 -6.235 1.00 0.00 N ATOM 779 CA GLU A 71 -25.165 -15.991 -7.039 1.00 0.00 C ATOM 780 C GLU A 71 -24.285 -16.878 -6.138 1.00 0.00 C ATOM 781 O GLU A 71 -24.267 -16.700 -4.910 1.00 0.00 O ATOM 782 CB GLU A 71 -24.325 -14.856 -7.722 1.00 0.00 C ATOM 783 CG GLU A 71 -23.196 -15.319 -8.675 1.00 0.00 C ATOM 784 CD GLU A 71 -23.683 -16.191 -9.844 1.00 0.00 C ATOM 785 OE1 GLU A 71 -24.284 -15.642 -10.794 1.00 0.00 O ATOM 786 OE2 GLU A 71 -23.474 -17.424 -9.819 1.00 0.00 O ATOM 0 H GLU A 71 -25.897 -14.660 -5.590 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.591 -16.626 -7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.006 -14.217 -8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -23.882 -14.240 -6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -22.690 -14.441 -9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.457 -15.878 -8.101 1.00 0.00 H new ATOM 793 N ASP A 72 -23.581 -17.848 -6.768 1.00 0.00 N ATOM 794 CA ASP A 72 -22.557 -18.683 -6.107 1.00 0.00 C ATOM 795 C ASP A 72 -21.468 -17.766 -5.492 1.00 0.00 C ATOM 796 O ASP A 72 -20.980 -16.891 -6.200 1.00 0.00 O ATOM 797 CB ASP A 72 -21.916 -19.650 -7.145 1.00 0.00 C ATOM 798 CG ASP A 72 -20.778 -20.530 -6.569 1.00 0.00 C ATOM 799 OD1 ASP A 72 -19.612 -20.065 -6.487 1.00 0.00 O ATOM 800 OD2 ASP A 72 -21.038 -21.699 -6.218 1.00 0.00 O ATOM 0 H ASP A 72 -23.710 -18.072 -7.755 1.00 0.00 H new ATOM 0 HA ASP A 72 -23.021 -19.273 -5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -22.693 -20.298 -7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.523 -19.065 -7.977 1.00 0.00 H new ATOM 805 N PRO A 73 -21.081 -17.964 -4.182 1.00 0.00 N ATOM 806 CA PRO A 73 -20.079 -17.116 -3.464 1.00 0.00 C ATOM 807 C PRO A 73 -18.785 -16.793 -4.261 1.00 0.00 C ATOM 808 O PRO A 73 -18.377 -15.627 -4.358 1.00 0.00 O ATOM 809 CB PRO A 73 -19.741 -17.970 -2.221 1.00 0.00 C ATOM 810 CG PRO A 73 -21.001 -18.724 -1.936 1.00 0.00 C ATOM 811 CD PRO A 73 -21.629 -19.016 -3.283 1.00 0.00 C ATOM 0 HA PRO A 73 -20.493 -16.128 -3.260 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.909 -18.646 -2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.452 -17.345 -1.376 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.789 -19.647 -1.396 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -21.674 -18.137 -1.311 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -21.369 -20.014 -3.635 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -22.717 -18.969 -3.233 1.00 0.00 H new ATOM 819 N VAL A 74 -18.145 -17.836 -4.829 1.00 0.00 N ATOM 820 CA VAL A 74 -16.843 -17.684 -5.520 1.00 0.00 C ATOM 821 C VAL A 74 -17.042 -17.001 -6.893 1.00 0.00 C ATOM 822 O VAL A 74 -16.290 -16.093 -7.252 1.00 0.00 O ATOM 823 CB VAL A 74 -16.096 -19.063 -5.683 1.00 0.00 C ATOM 824 CG1 VAL A 74 -14.637 -18.864 -6.182 1.00 0.00 C ATOM 825 CG2 VAL A 74 -16.130 -19.877 -4.358 1.00 0.00 C ATOM 0 H VAL A 74 -18.505 -18.790 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.211 -17.050 -4.898 1.00 0.00 H new ATOM 0 HB VAL A 74 -16.626 -19.637 -6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.152 -19.835 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.649 -18.361 -7.149 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -14.087 -18.256 -5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.608 -20.823 -4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.641 -19.307 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -17.165 -20.072 -4.077 1.00 0.00 H new ATOM 835 N VAL A 75 -18.102 -17.425 -7.614 1.00 0.00 N ATOM 836 CA VAL A 75 -18.483 -16.862 -8.939 1.00 0.00 C ATOM 837 C VAL A 75 -18.910 -15.385 -8.816 1.00 0.00 C ATOM 838 O VAL A 75 -18.721 -14.588 -9.738 1.00 0.00 O ATOM 839 CB VAL A 75 -19.629 -17.717 -9.607 1.00 0.00 C ATOM 840 CG1 VAL A 75 -20.148 -17.095 -10.937 1.00 0.00 C ATOM 841 CG2 VAL A 75 -19.152 -19.175 -9.821 1.00 0.00 C ATOM 0 H VAL A 75 -18.723 -18.170 -7.297 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.604 -16.906 -9.582 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.475 -17.717 -8.920 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -20.935 -17.726 -11.351 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.546 -16.099 -10.742 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.327 -17.024 -11.650 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -19.951 -19.755 -10.282 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -18.278 -19.180 -10.472 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -18.891 -19.617 -8.860 1.00 0.00 H new ATOM 851 N ALA A 76 -19.458 -15.050 -7.648 1.00 0.00 N ATOM 852 CA ALA A 76 -19.909 -13.697 -7.293 1.00 0.00 C ATOM 853 C ALA A 76 -18.706 -12.775 -7.072 1.00 0.00 C ATOM 854 O ALA A 76 -18.750 -11.591 -7.411 1.00 0.00 O ATOM 855 CB ALA A 76 -20.786 -13.753 -6.035 1.00 0.00 C ATOM 0 H ALA A 76 -19.606 -15.728 -6.900 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.501 -13.293 -8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.117 -12.747 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.655 -14.383 -6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.210 -14.169 -5.208 1.00 0.00 H new ATOM 861 N LEU A 77 -17.632 -13.347 -6.500 1.00 0.00 N ATOM 862 CA LEU A 77 -16.367 -12.636 -6.261 1.00 0.00 C ATOM 863 C LEU A 77 -15.641 -12.405 -7.607 1.00 0.00 C ATOM 864 O LEU A 77 -15.062 -11.341 -7.821 1.00 0.00 O ATOM 865 CB LEU A 77 -15.502 -13.437 -5.232 1.00 0.00 C ATOM 866 CG LEU A 77 -14.463 -12.618 -4.373 1.00 0.00 C ATOM 867 CD1 LEU A 77 -14.001 -13.428 -3.142 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.242 -12.127 -5.196 1.00 0.00 C ATOM 0 H LEU A 77 -17.619 -14.319 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.555 -11.655 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.179 -13.948 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.957 -14.208 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.987 -11.725 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.285 -12.840 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.862 -13.663 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.529 -14.353 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.566 -11.571 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.718 -12.985 -5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.584 -11.480 -6.004 1.00 0.00 H new ATOM 880 N GLU A 78 -15.724 -13.408 -8.516 1.00 0.00 N ATOM 881 CA GLU A 78 -15.172 -13.312 -9.889 1.00 0.00 C ATOM 882 C GLU A 78 -15.896 -12.208 -10.682 1.00 0.00 C ATOM 883 O GLU A 78 -15.259 -11.410 -11.370 1.00 0.00 O ATOM 884 CB GLU A 78 -15.316 -14.671 -10.631 1.00 0.00 C ATOM 885 CG GLU A 78 -14.561 -15.847 -9.988 1.00 0.00 C ATOM 886 CD GLU A 78 -14.707 -17.152 -10.784 1.00 0.00 C ATOM 887 OE1 GLU A 78 -15.786 -17.770 -10.728 1.00 0.00 O ATOM 888 OE2 GLU A 78 -13.760 -17.549 -11.497 1.00 0.00 O ATOM 0 H GLU A 78 -16.174 -14.302 -8.318 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.114 -13.061 -9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.374 -14.926 -10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.962 -14.548 -11.655 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.504 -15.593 -9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.932 -16.001 -8.975 1.00 0.00 H new ATOM 895 N ALA A 79 -17.233 -12.182 -10.542 1.00 0.00 N ATOM 896 CA ALA A 79 -18.116 -11.200 -11.208 1.00 0.00 C ATOM 897 C ALA A 79 -17.876 -9.786 -10.660 1.00 0.00 C ATOM 898 O ALA A 79 -17.957 -8.797 -11.394 1.00 0.00 O ATOM 899 CB ALA A 79 -19.590 -11.600 -11.019 1.00 0.00 C ATOM 0 H ALA A 79 -17.739 -12.848 -9.958 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.882 -11.197 -12.273 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.231 -10.870 -11.513 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.758 -12.585 -11.454 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.826 -11.629 -9.955 1.00 0.00 H new ATOM 905 N ALA A 80 -17.574 -9.719 -9.352 1.00 0.00 N ATOM 906 CA ALA A 80 -17.303 -8.461 -8.642 1.00 0.00 C ATOM 907 C ALA A 80 -15.963 -7.851 -9.083 1.00 0.00 C ATOM 908 O ALA A 80 -15.875 -6.642 -9.289 1.00 0.00 O ATOM 909 CB ALA A 80 -17.336 -8.696 -7.131 1.00 0.00 C ATOM 0 H ALA A 80 -17.511 -10.544 -8.755 1.00 0.00 H new ATOM 0 HA ALA A 80 -18.083 -7.743 -8.897 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -17.134 -7.759 -6.613 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.320 -9.066 -6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.578 -9.431 -6.860 1.00 0.00 H new ATOM 915 N LEU A 81 -14.928 -8.708 -9.229 1.00 0.00 N ATOM 916 CA LEU A 81 -13.604 -8.304 -9.770 1.00 0.00 C ATOM 917 C LEU A 81 -13.746 -7.794 -11.210 1.00 0.00 C ATOM 918 O LEU A 81 -13.217 -6.736 -11.565 1.00 0.00 O ATOM 919 CB LEU A 81 -12.607 -9.499 -9.740 1.00 0.00 C ATOM 920 CG LEU A 81 -12.077 -9.909 -8.336 1.00 0.00 C ATOM 921 CD1 LEU A 81 -11.200 -11.179 -8.413 1.00 0.00 C ATOM 922 CD2 LEU A 81 -11.315 -8.739 -7.673 1.00 0.00 C ATOM 0 H LEU A 81 -14.983 -9.695 -8.978 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.216 -7.503 -9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.094 -10.364 -10.190 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.753 -9.250 -10.370 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.937 -10.146 -7.710 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.846 -11.438 -7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.789 -12.004 -8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.346 -10.992 -9.064 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.954 -9.049 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.469 -8.455 -8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.985 -7.886 -7.560 1.00 0.00 H new ATOM 934 N GLN A 82 -14.499 -8.570 -12.006 1.00 0.00 N ATOM 935 CA GLN A 82 -14.754 -8.301 -13.427 1.00 0.00 C ATOM 936 C GLN A 82 -15.479 -6.955 -13.621 1.00 0.00 C ATOM 937 O GLN A 82 -15.183 -6.215 -14.568 1.00 0.00 O ATOM 938 CB GLN A 82 -15.586 -9.471 -14.022 1.00 0.00 C ATOM 939 CG GLN A 82 -15.958 -9.326 -15.511 1.00 0.00 C ATOM 940 CD GLN A 82 -16.807 -10.487 -16.026 1.00 0.00 C ATOM 941 OE1 GLN A 82 -16.285 -11.486 -16.521 1.00 0.00 O ATOM 942 NE2 GLN A 82 -18.120 -10.378 -15.888 1.00 0.00 N ATOM 0 H GLN A 82 -14.956 -9.418 -11.671 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.802 -8.229 -13.952 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.024 -10.396 -13.894 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -16.504 -9.573 -13.444 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -16.502 -8.392 -15.655 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -15.046 -9.258 -16.104 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -18.521 -9.537 -15.474 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -18.730 -11.135 -16.196 1.00 0.00 H new ATOM 951 N PHE A 83 -16.409 -6.632 -12.700 1.00 0.00 N ATOM 952 CA PHE A 83 -17.203 -5.402 -12.777 1.00 0.00 C ATOM 953 C PHE A 83 -16.475 -4.258 -12.039 1.00 0.00 C ATOM 954 O PHE A 83 -16.244 -4.323 -10.828 1.00 0.00 O ATOM 955 CB PHE A 83 -18.616 -5.654 -12.207 1.00 0.00 C ATOM 956 CG PHE A 83 -19.624 -4.538 -12.471 1.00 0.00 C ATOM 957 CD1 PHE A 83 -19.777 -4.002 -13.753 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.445 -4.052 -11.458 1.00 0.00 C ATOM 959 CE1 PHE A 83 -20.709 -3.012 -14.001 1.00 0.00 C ATOM 960 CE2 PHE A 83 -21.374 -3.061 -11.709 1.00 0.00 C ATOM 961 CZ PHE A 83 -21.506 -2.543 -12.981 1.00 0.00 C ATOM 0 H PHE A 83 -16.625 -7.214 -11.891 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.317 -5.100 -13.818 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.003 -6.581 -12.631 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.536 -5.804 -11.130 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.159 -4.366 -14.560 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.354 -4.456 -10.460 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -20.812 -2.606 -14.996 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -21.998 -2.691 -10.909 1.00 0.00 H new ATOM 0 HZ PHE A 83 -22.234 -1.770 -13.176 1.00 0.00 H new ATOM 971 N GLU A 84 -16.134 -3.220 -12.815 1.00 0.00 N ATOM 972 CA GLU A 84 -15.322 -2.055 -12.400 1.00 0.00 C ATOM 973 C GLU A 84 -15.852 -1.340 -11.143 1.00 0.00 C ATOM 974 O GLU A 84 -15.073 -0.749 -10.386 1.00 0.00 O ATOM 975 CB GLU A 84 -15.257 -1.057 -13.577 1.00 0.00 C ATOM 976 CG GLU A 84 -16.646 -0.585 -14.081 1.00 0.00 C ATOM 977 CD GLU A 84 -16.562 0.390 -15.260 1.00 0.00 C ATOM 978 OE1 GLU A 84 -16.343 1.600 -15.025 1.00 0.00 O ATOM 979 OE2 GLU A 84 -16.716 -0.048 -16.421 1.00 0.00 O ATOM 0 H GLU A 84 -16.426 -3.161 -13.791 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.333 -2.430 -12.137 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.678 -0.186 -13.270 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.720 -1.521 -14.404 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.232 -1.455 -14.378 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.180 -0.107 -13.260 1.00 0.00 H new ATOM 986 N ASP A 85 -17.175 -1.379 -10.944 1.00 0.00 N ATOM 987 CA ASP A 85 -17.827 -0.711 -9.813 1.00 0.00 C ATOM 988 C ASP A 85 -17.645 -1.525 -8.528 1.00 0.00 C ATOM 989 O ASP A 85 -17.230 -0.989 -7.503 1.00 0.00 O ATOM 990 CB ASP A 85 -19.331 -0.485 -10.105 1.00 0.00 C ATOM 991 CG ASP A 85 -20.075 0.233 -8.959 1.00 0.00 C ATOM 992 OD1 ASP A 85 -19.922 1.463 -8.825 1.00 0.00 O ATOM 993 OD2 ASP A 85 -20.813 -0.433 -8.192 1.00 0.00 O ATOM 0 H ASP A 85 -17.821 -1.873 -11.560 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.355 0.262 -9.673 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.432 0.101 -11.018 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.807 -1.448 -10.290 1.00 0.00 H new ATOM 998 N THR A 86 -17.919 -2.831 -8.614 1.00 0.00 N ATOM 999 CA THR A 86 -18.012 -3.716 -7.441 1.00 0.00 C ATOM 1000 C THR A 86 -16.645 -4.264 -6.973 1.00 0.00 C ATOM 1001 O THR A 86 -16.560 -4.845 -5.888 1.00 0.00 O ATOM 1002 CB THR A 86 -18.995 -4.889 -7.737 1.00 0.00 C ATOM 1003 OG1 THR A 86 -18.636 -5.508 -8.976 1.00 0.00 O ATOM 1004 CG2 THR A 86 -20.456 -4.413 -7.813 1.00 0.00 C ATOM 0 H THR A 86 -18.083 -3.308 -9.500 1.00 0.00 H new ATOM 0 HA THR A 86 -18.393 -3.108 -6.620 1.00 0.00 H new ATOM 0 HB THR A 86 -18.918 -5.601 -6.916 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.674 -5.696 -8.981 1.00 0.00 H new ATOM 0 HG21 THR A 86 -21.105 -5.263 -8.021 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.742 -3.962 -6.863 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.558 -3.676 -8.609 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.578 -4.046 -7.774 1.00 0.00 N ATOM 1013 CA ARG A 87 -14.204 -4.548 -7.448 1.00 0.00 C ATOM 1014 C ARG A 87 -13.611 -3.845 -6.199 1.00 0.00 C ATOM 1015 O ARG A 87 -12.654 -4.342 -5.591 1.00 0.00 O ATOM 1016 CB ARG A 87 -13.247 -4.373 -8.664 1.00 0.00 C ATOM 1017 CG ARG A 87 -13.054 -2.907 -9.104 1.00 0.00 C ATOM 1018 CD ARG A 87 -12.091 -2.745 -10.295 1.00 0.00 C ATOM 1019 NE ARG A 87 -12.021 -1.335 -10.756 1.00 0.00 N ATOM 1020 CZ ARG A 87 -11.024 -0.797 -11.477 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -9.962 -1.514 -11.823 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -11.084 0.475 -11.840 1.00 0.00 N ATOM 0 H ARG A 87 -15.631 -3.528 -8.651 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.298 -5.610 -7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.275 -4.797 -8.412 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.637 -4.946 -9.505 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.023 -2.485 -9.371 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.676 -2.329 -8.260 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.096 -3.084 -10.007 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.419 -3.381 -11.117 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.797 -0.723 -10.503 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.893 -2.492 -11.541 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.215 -1.087 -12.371 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.887 1.045 -11.572 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.328 0.885 -12.388 1.00 0.00 H new ATOM 1036 N GLU A 88 -14.209 -2.695 -5.818 1.00 0.00 N ATOM 1037 CA GLU A 88 -13.736 -1.843 -4.704 1.00 0.00 C ATOM 1038 C GLU A 88 -13.882 -2.514 -3.320 1.00 0.00 C ATOM 1039 O GLU A 88 -13.186 -2.131 -2.386 1.00 0.00 O ATOM 1040 CB GLU A 88 -14.459 -0.463 -4.769 1.00 0.00 C ATOM 1041 CG GLU A 88 -16.012 -0.520 -4.718 1.00 0.00 C ATOM 1042 CD GLU A 88 -16.623 -0.443 -3.306 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -16.713 0.670 -2.746 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -17.025 -1.491 -2.750 1.00 0.00 O ATOM 0 H GLU A 88 -15.042 -2.328 -6.279 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.664 -1.690 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.108 0.151 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.161 0.041 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.410 0.301 -5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.342 -1.446 -5.190 1.00 0.00 H new ATOM 1051 N SER A 89 -14.801 -3.492 -3.182 1.00 0.00 N ATOM 1052 CA SER A 89 -14.944 -4.281 -1.932 1.00 0.00 C ATOM 1053 C SER A 89 -13.903 -5.422 -1.886 1.00 0.00 C ATOM 1054 O SER A 89 -13.419 -5.787 -0.811 1.00 0.00 O ATOM 1055 CB SER A 89 -16.380 -4.833 -1.806 1.00 0.00 C ATOM 1056 OG SER A 89 -16.582 -5.605 -0.628 1.00 0.00 O ATOM 0 H SER A 89 -15.456 -3.757 -3.917 1.00 0.00 H new ATOM 0 HA SER A 89 -14.758 -3.624 -1.082 1.00 0.00 H new ATOM 0 HB2 SER A 89 -17.084 -4.001 -1.813 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.604 -5.447 -2.678 1.00 0.00 H new ATOM 0 HG SER A 89 -16.195 -6.497 -0.751 1.00 0.00 H new ATOM 1062 N MET A 90 -13.549 -5.964 -3.076 1.00 0.00 N ATOM 1063 CA MET A 90 -12.526 -7.030 -3.220 1.00 0.00 C ATOM 1064 C MET A 90 -11.116 -6.459 -3.041 1.00 0.00 C ATOM 1065 O MET A 90 -10.156 -7.213 -2.847 1.00 0.00 O ATOM 1066 CB MET A 90 -12.658 -7.747 -4.584 1.00 0.00 C ATOM 1067 CG MET A 90 -14.014 -8.431 -4.800 1.00 0.00 C ATOM 1068 SD MET A 90 -15.371 -7.238 -4.860 1.00 0.00 S ATOM 1069 CE MET A 90 -16.552 -7.967 -3.744 1.00 0.00 C ATOM 0 H MET A 90 -13.963 -5.676 -3.962 1.00 0.00 H new ATOM 0 HA MET A 90 -12.698 -7.767 -2.435 1.00 0.00 H new ATOM 0 HB2 MET A 90 -12.497 -7.021 -5.381 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.868 -8.494 -4.668 1.00 0.00 H new ATOM 0 HG2 MET A 90 -13.989 -9.000 -5.730 1.00 0.00 H new ATOM 0 HG3 MET A 90 -14.193 -9.144 -3.995 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.188 -7.186 -3.327 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.167 -8.686 -4.284 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.024 -8.475 -2.937 1.00 0.00 H new ATOM 1079 N HIS A 91 -11.019 -5.119 -3.120 1.00 0.00 N ATOM 1080 CA HIS A 91 -9.823 -4.358 -2.727 1.00 0.00 C ATOM 1081 C HIS A 91 -9.482 -4.653 -1.252 1.00 0.00 C ATOM 1082 O HIS A 91 -8.322 -4.878 -0.902 1.00 0.00 O ATOM 1083 CB HIS A 91 -10.085 -2.850 -2.945 1.00 0.00 C ATOM 1084 CG HIS A 91 -8.936 -1.928 -2.615 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -8.831 -1.248 -1.415 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -7.870 -1.540 -3.356 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -7.755 -0.487 -1.434 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -7.152 -0.645 -2.596 1.00 0.00 N ATOM 0 H HIS A 91 -11.778 -4.530 -3.462 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.972 -4.656 -3.340 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -10.362 -2.696 -3.988 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.944 -2.559 -2.341 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.629 -1.871 -4.355 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -7.423 0.157 -0.633 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -6.292 -0.179 -2.885 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.531 -4.664 -0.402 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.411 -5.001 1.034 1.00 0.00 C ATOM 1099 C ALA A 92 -10.174 -6.511 1.238 1.00 0.00 C ATOM 1100 O ALA A 92 -9.391 -6.907 2.107 1.00 0.00 O ATOM 1101 CB ALA A 92 -11.674 -4.550 1.786 1.00 0.00 C ATOM 0 H ALA A 92 -11.483 -4.440 -0.691 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.547 -4.472 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.578 -4.802 2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.796 -3.472 1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.545 -5.056 1.370 1.00 0.00 H new ATOM 1107 N PHE A 93 -10.853 -7.350 0.425 1.00 0.00 N ATOM 1108 CA PHE A 93 -10.735 -8.833 0.522 1.00 0.00 C ATOM 1109 C PHE A 93 -9.363 -9.339 0.013 1.00 0.00 C ATOM 1110 O PHE A 93 -8.988 -10.490 0.286 1.00 0.00 O ATOM 1111 CB PHE A 93 -11.881 -9.531 -0.263 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.297 -9.185 0.204 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -13.597 -9.032 1.557 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.330 -9.004 -0.714 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -14.878 -8.722 1.966 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.608 -8.694 -0.296 1.00 0.00 C ATOM 1117 CZ PHE A 93 -15.879 -8.547 1.042 1.00 0.00 C ATOM 0 H PHE A 93 -11.489 -7.032 -0.306 1.00 0.00 H new ATOM 0 HA PHE A 93 -10.817 -9.090 1.578 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.789 -9.269 -1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -11.745 -10.610 -0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -12.817 -9.158 2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -14.127 -9.108 -1.770 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -15.095 -8.616 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.397 -8.567 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 93 -16.877 -8.294 1.367 1.00 0.00 H new ATOM 1127 N CYS A 94 -8.647 -8.476 -0.745 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.288 -8.752 -1.242 1.00 0.00 C ATOM 1129 C CYS A 94 -6.289 -8.703 -0.067 1.00 0.00 C ATOM 1130 O CYS A 94 -5.693 -7.656 0.228 1.00 0.00 O ATOM 1131 CB CYS A 94 -6.916 -7.730 -2.351 1.00 0.00 C ATOM 1132 SG CYS A 94 -5.250 -7.922 -3.028 1.00 0.00 S ATOM 0 H CYS A 94 -9.003 -7.563 -1.028 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.247 -9.749 -1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -7.636 -7.819 -3.164 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -7.015 -6.723 -1.946 1.00 0.00 H new ATOM 0 HG CYS A 94 -5.047 -7.022 -3.944 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.185 -9.841 0.645 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.268 -10.006 1.792 1.00 0.00 C ATOM 1140 C VAL A 95 -3.805 -10.079 1.305 1.00 0.00 C ATOM 1141 O VAL A 95 -2.876 -9.603 1.980 1.00 0.00 O ATOM 1142 CB VAL A 95 -5.652 -11.286 2.651 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -5.633 -12.588 1.798 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -4.768 -11.425 3.931 1.00 0.00 C ATOM 0 H VAL A 95 -6.736 -10.675 0.441 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.368 -9.135 2.439 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.678 -11.136 2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.901 -13.438 2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -6.350 -12.499 0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.634 -12.740 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.068 -12.314 4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.721 -11.513 3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.898 -10.544 4.560 1.00 0.00 H new ATOM 1154 N GLY A 96 -3.627 -10.645 0.101 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.317 -10.798 -0.512 1.00 0.00 C ATOM 1156 C GLY A 96 -2.400 -11.387 -1.908 1.00 0.00 C ATOM 1157 O GLY A 96 -3.493 -11.601 -2.436 1.00 0.00 O ATOM 0 H GLY A 96 -4.393 -11.006 -0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.824 -9.827 -0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.698 -11.440 0.115 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.232 -11.640 -2.503 1.00 0.00 N ATOM 1162 CA GLN A 97 -1.096 -12.290 -3.812 1.00 0.00 C ATOM 1163 C GLN A 97 -0.570 -13.710 -3.613 1.00 0.00 C ATOM 1164 O GLN A 97 0.328 -13.932 -2.806 1.00 0.00 O ATOM 1165 CB GLN A 97 -0.122 -11.480 -4.708 1.00 0.00 C ATOM 1166 CG GLN A 97 0.214 -12.114 -6.073 1.00 0.00 C ATOM 1167 CD GLN A 97 1.243 -11.319 -6.877 1.00 0.00 C ATOM 1168 OE1 GLN A 97 2.449 -11.539 -6.766 1.00 0.00 O ATOM 1169 NE2 GLN A 97 0.774 -10.387 -7.689 1.00 0.00 N ATOM 0 H GLN A 97 -0.336 -11.395 -2.082 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.068 -12.329 -4.303 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.553 -10.494 -4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.808 -11.330 -4.159 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.591 -13.124 -5.913 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.701 -12.205 -6.658 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.231 -10.230 -7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.418 -9.825 -8.247 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.141 -14.656 -4.351 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.663 -16.036 -4.393 1.00 0.00 C ATOM 1180 C TYR A 98 0.625 -16.127 -5.221 1.00 0.00 C ATOM 1181 O TYR A 98 0.642 -15.751 -6.399 1.00 0.00 O ATOM 1182 CB TYR A 98 -1.749 -16.964 -4.987 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.307 -18.430 -5.178 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -1.070 -19.259 -4.079 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.099 -18.972 -6.450 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -0.652 -20.566 -4.249 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -0.681 -20.275 -6.612 1.00 0.00 C ATOM 1188 CZ TYR A 98 -0.458 -21.065 -5.513 1.00 0.00 C ATOM 1189 OH TYR A 98 -0.042 -22.369 -5.687 1.00 0.00 O ATOM 0 H TYR A 98 -1.955 -14.487 -4.942 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.448 -16.361 -3.375 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.622 -16.944 -4.335 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.062 -16.564 -5.951 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.216 -18.873 -3.081 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.269 -18.358 -7.322 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.478 -21.194 -3.388 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.529 -20.674 -7.604 1.00 0.00 H new ATOM 0 HH TYR A 98 0.045 -22.560 -6.644 1.00 0.00 H new ATOM 1199 N LEU A 99 1.696 -16.609 -4.581 1.00 0.00 N ATOM 1200 CA LEU A 99 2.931 -16.999 -5.262 1.00 0.00 C ATOM 1201 C LEU A 99 2.917 -18.535 -5.389 1.00 0.00 C ATOM 1202 O LEU A 99 2.898 -19.249 -4.376 1.00 0.00 O ATOM 1203 CB LEU A 99 4.184 -16.463 -4.478 1.00 0.00 C ATOM 1204 CG LEU A 99 5.564 -16.464 -5.251 1.00 0.00 C ATOM 1205 CD1 LEU A 99 6.606 -15.557 -4.560 1.00 0.00 C ATOM 1206 CD2 LEU A 99 6.153 -17.885 -5.420 1.00 0.00 C ATOM 0 H LEU A 99 1.728 -16.739 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 99 2.994 -16.560 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.974 -15.442 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.301 -17.061 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 99 5.345 -16.068 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.541 -15.584 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.232 -14.534 -4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.781 -15.912 -3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.100 -17.825 -5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.320 -18.329 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.455 -18.504 -5.984 1.00 0.00 H new ATOM 1218 N GLU A 100 2.910 -19.029 -6.645 1.00 0.00 N ATOM 1219 CA GLU A 100 2.978 -20.467 -6.954 1.00 0.00 C ATOM 1220 C GLU A 100 4.396 -21.002 -6.632 1.00 0.00 C ATOM 1221 O GLU A 100 5.373 -20.400 -7.077 1.00 0.00 O ATOM 1222 CB GLU A 100 2.646 -20.712 -8.452 1.00 0.00 C ATOM 1223 CG GLU A 100 2.645 -22.194 -8.885 1.00 0.00 C ATOM 1224 CD GLU A 100 2.476 -22.386 -10.394 1.00 0.00 C ATOM 1225 OE1 GLU A 100 3.478 -22.272 -11.132 1.00 0.00 O ATOM 1226 OE2 GLU A 100 1.341 -22.634 -10.858 1.00 0.00 O ATOM 0 H GLU A 100 2.857 -18.437 -7.474 1.00 0.00 H new ATOM 0 HA GLU A 100 2.246 -20.996 -6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.666 -20.286 -8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 100 3.369 -20.171 -9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 100 3.580 -22.658 -8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.840 -22.716 -8.367 1.00 0.00 H new ATOM 1233 N PRO A 101 4.537 -22.129 -5.857 1.00 0.00 N ATOM 1234 CA PRO A 101 5.867 -22.679 -5.453 1.00 0.00 C ATOM 1235 C PRO A 101 6.784 -23.006 -6.662 1.00 0.00 C ATOM 1236 O PRO A 101 8.017 -22.982 -6.547 1.00 0.00 O ATOM 1237 CB PRO A 101 5.499 -23.960 -4.654 1.00 0.00 C ATOM 1238 CG PRO A 101 4.095 -24.283 -5.072 1.00 0.00 C ATOM 1239 CD PRO A 101 3.429 -22.952 -5.303 1.00 0.00 C ATOM 0 HA PRO A 101 6.446 -21.958 -4.875 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.179 -24.780 -4.886 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.562 -23.788 -3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.085 -24.890 -5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.577 -24.853 -4.301 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.595 -23.031 -6.000 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.033 -22.530 -4.379 1.00 0.00 H new ATOM 1247 N ASP A 102 6.160 -23.281 -7.822 1.00 0.00 N ATOM 1248 CA ASP A 102 6.877 -23.625 -9.067 1.00 0.00 C ATOM 1249 C ASP A 102 7.284 -22.367 -9.852 1.00 0.00 C ATOM 1250 O ASP A 102 8.286 -22.393 -10.560 1.00 0.00 O ATOM 1251 CB ASP A 102 6.005 -24.555 -9.947 1.00 0.00 C ATOM 1252 CG ASP A 102 6.757 -25.096 -11.183 1.00 0.00 C ATOM 1253 OD1 ASP A 102 7.745 -25.837 -10.993 1.00 0.00 O ATOM 1254 OD2 ASP A 102 6.382 -24.783 -12.336 1.00 0.00 O ATOM 0 H ASP A 102 5.145 -23.271 -7.924 1.00 0.00 H new ATOM 0 HA ASP A 102 7.791 -24.151 -8.792 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.656 -25.394 -9.345 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.121 -24.010 -10.277 1.00 0.00 H new ATOM 1259 N GLN A 103 6.506 -21.269 -9.689 1.00 0.00 N ATOM 1260 CA GLN A 103 6.691 -19.986 -10.431 1.00 0.00 C ATOM 1261 C GLN A 103 8.134 -19.433 -10.302 1.00 0.00 C ATOM 1262 O GLN A 103 8.656 -18.795 -11.225 1.00 0.00 O ATOM 1263 CB GLN A 103 5.660 -18.940 -9.918 1.00 0.00 C ATOM 1264 CG GLN A 103 5.610 -17.608 -10.699 1.00 0.00 C ATOM 1265 CD GLN A 103 5.147 -17.753 -12.159 1.00 0.00 C ATOM 1266 OE1 GLN A 103 4.368 -18.638 -12.496 1.00 0.00 O ATOM 1267 NE2 GLN A 103 5.617 -16.879 -13.027 1.00 0.00 N ATOM 0 H GLN A 103 5.724 -21.243 -9.034 1.00 0.00 H new ATOM 0 HA GLN A 103 6.523 -20.184 -11.490 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.668 -19.392 -9.944 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.883 -18.719 -8.874 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.939 -16.921 -10.183 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.601 -17.155 -10.687 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.264 -16.153 -12.720 1.00 0.00 H new ATOM 0 HE22 GLN A 103 5.334 -16.929 -14.006 1.00 0.00 H new