USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 845 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 101 LYS NZ :NH3+ 145:sc= -3.1! (180deg=-0.625) USER MOD Set 1.2: A 103 ASN : amide:sc= -7.1 K(o=-13,f=-8.7) USER MOD Set 1.3: A 105 MET CE :methyl 152:sc= -2.95 (180deg=-0.162) USER MOD Set 2.1: A 63 GLN : amide:sc= 0.175 X(o=0.34,f=0) USER MOD Set 2.2: A 65 THR OG1 : rot -160:sc= 0.16 USER MOD Set 3.1: A 41 ASN : amide:sc= -5.26! C(o=-5.5!,f=-13!) USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= 0.756 USER MOD Set 3.3: A 98 GLN : amide:sc= -1.02 K(o=-5.5,f=-3.9) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0359 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -4.5! K(o=-4.5!,f=-2.8) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc=-0.00524 X(o=-0.0052,f=-0.18) USER MOD Single : A 32 ASN : amide:sc= 0.825 K(o=0.83,f=-0.099) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot -138:sc= 0.233 USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0207) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.737 USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.405 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.31 K(o=-1.3,f=-4.6!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 70 TYR OH : rot 14:sc= 0.988 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0546 X(o=-0.055,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc=-0.00112 USER MOD Single : A 79 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.049) USER MOD Single : A 81 SER OG : rot 170:sc= 0 USER MOD Single : A 84 MET CE :methyl -123:sc= -0.233 (180deg=-1.61) USER MOD Single : A 86 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.2!) USER MOD Single : A 88 THR OG1 : rot -66:sc= 0.706 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 93:sc= 0.396 USER MOD Single : A 94 SER OG : rot -16:sc= 0.592 USER MOD Single : A 95 TYR OH : rot -35:sc= 1.1 USER MOD Single : A 96 THR OG1 : rot -110:sc= -0.445 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.00379 USER MOD Single : A 112 GLN : amide:sc= -1.28 K(o=-1.3,f=-6.5!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.0383 K(o=-0.038,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 10 1.432 15.449 9.010 1.00 0.00 N ATOM 91 CA GLN A 10 1.809 14.626 7.866 1.00 0.00 C ATOM 92 C GLN A 10 0.826 13.476 7.676 1.00 0.00 C ATOM 93 O GLN A 10 0.497 12.763 8.626 1.00 0.00 O ATOM 94 CB GLN A 10 3.225 14.077 8.051 1.00 0.00 C ATOM 95 CG GLN A 10 3.361 13.128 9.231 1.00 0.00 C ATOM 96 CD GLN A 10 4.759 13.120 9.815 1.00 0.00 C ATOM 97 OE1 GLN A 10 5.747 13.266 9.094 1.00 0.00 O ATOM 98 NE2 GLN A 10 4.851 12.950 11.129 1.00 0.00 N ATOM 0 HA GLN A 10 1.783 15.253 6.975 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.526 13.557 7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.914 14.911 8.185 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.649 13.413 10.006 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.098 12.119 8.913 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.006 12.833 11.688 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.766 12.937 11.579 1.00 0.00 H new ATOM 107 N LEU A 11 0.359 13.300 6.445 1.00 0.00 N ATOM 108 CA LEU A 11 -0.587 12.236 6.130 1.00 0.00 C ATOM 109 C LEU A 11 -0.175 10.926 6.795 1.00 0.00 C ATOM 110 O LEU A 11 0.885 10.374 6.500 1.00 0.00 O ATOM 111 CB LEU A 11 -0.683 12.044 4.615 1.00 0.00 C ATOM 112 CG LEU A 11 -1.994 11.451 4.096 1.00 0.00 C ATOM 113 CD1 LEU A 11 -3.175 12.303 4.533 1.00 0.00 C ATOM 114 CD2 LEU A 11 -1.958 11.325 2.580 1.00 0.00 C ATOM 0 H LEU A 11 0.620 13.881 5.648 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.564 12.526 6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.530 13.011 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.136 11.398 4.298 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.114 10.455 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.099 11.866 4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.212 12.343 5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.062 13.312 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.899 10.901 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.815 12.310 2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.135 10.673 2.289 1.00 0.00 H new ATOM 126 N THR A 12 -1.022 10.433 7.693 1.00 0.00 N ATOM 127 CA THR A 12 -0.747 9.188 8.399 1.00 0.00 C ATOM 128 C THR A 12 -1.984 8.297 8.445 1.00 0.00 C ATOM 129 O THR A 12 -3.065 8.698 8.014 1.00 0.00 O ATOM 130 CB THR A 12 -0.266 9.452 9.838 1.00 0.00 C ATOM 131 OG1 THR A 12 0.268 8.251 10.405 1.00 0.00 O ATOM 132 CG2 THR A 12 -1.406 9.965 10.705 1.00 0.00 C ATOM 0 H THR A 12 -1.904 10.877 7.948 1.00 0.00 H new ATOM 0 HA THR A 12 0.044 8.680 7.847 1.00 0.00 H new ATOM 0 HB THR A 12 0.513 10.214 9.802 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.573 8.428 11.319 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.042 10.144 11.717 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.790 10.896 10.288 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.204 9.223 10.733 1.00 0.00 H new ATOM 140 N ILE A 13 -1.817 7.088 8.969 1.00 0.00 N ATOM 141 CA ILE A 13 -2.921 6.141 9.073 1.00 0.00 C ATOM 142 C ILE A 13 -2.792 5.282 10.326 1.00 0.00 C ATOM 143 O ILE A 13 -1.714 4.776 10.635 1.00 0.00 O ATOM 144 CB ILE A 13 -2.992 5.223 7.839 1.00 0.00 C ATOM 145 CG1 ILE A 13 -3.347 6.035 6.591 1.00 0.00 C ATOM 146 CG2 ILE A 13 -4.008 4.113 8.062 1.00 0.00 C ATOM 147 CD1 ILE A 13 -3.067 5.306 5.296 1.00 0.00 C ATOM 0 H ILE A 13 -0.928 6.740 9.328 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.837 6.729 9.132 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.013 4.768 7.687 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.404 6.300 6.628 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.784 6.968 6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.047 3.473 7.181 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.715 3.520 8.929 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.991 4.550 8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.343 5.941 4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.006 5.065 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.651 4.386 5.263 1.00 0.00 H new ATOM 159 N GLU A 14 -3.901 5.119 11.041 1.00 0.00 N ATOM 160 CA GLU A 14 -3.912 4.319 12.261 1.00 0.00 C ATOM 161 C GLU A 14 -4.973 3.226 12.184 1.00 0.00 C ATOM 162 O GLU A 14 -6.169 3.499 12.286 1.00 0.00 O ATOM 163 CB GLU A 14 -4.167 5.209 13.479 1.00 0.00 C ATOM 164 CG GLU A 14 -4.303 4.436 14.780 1.00 0.00 C ATOM 165 CD GLU A 14 -4.652 5.329 15.955 1.00 0.00 C ATOM 166 OE1 GLU A 14 -5.304 6.371 15.737 1.00 0.00 O ATOM 167 OE2 GLU A 14 -4.272 4.984 17.094 1.00 0.00 O ATOM 0 H GLU A 14 -4.802 5.530 10.797 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.935 3.847 12.365 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.349 5.923 13.574 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.076 5.786 13.313 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.074 3.673 14.666 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.368 3.916 14.989 1.00 0.00 H new ATOM 174 N ALA A 15 -4.527 1.987 12.004 1.00 0.00 N ATOM 175 CA ALA A 15 -5.437 0.852 11.915 1.00 0.00 C ATOM 176 C ALA A 15 -6.365 0.797 13.123 1.00 0.00 C ATOM 177 O ALA A 15 -5.922 0.916 14.266 1.00 0.00 O ATOM 178 CB ALA A 15 -4.652 -0.445 11.791 1.00 0.00 C ATOM 0 H ALA A 15 -3.540 1.744 11.917 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.051 0.979 11.023 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.344 -1.284 11.725 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.035 -0.412 10.893 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.013 -0.569 12.666 1.00 0.00 H new ATOM 184 N VAL A 16 -7.656 0.617 12.864 1.00 0.00 N ATOM 185 CA VAL A 16 -8.648 0.547 13.931 1.00 0.00 C ATOM 186 C VAL A 16 -9.629 -0.596 13.694 1.00 0.00 C ATOM 187 O VAL A 16 -10.516 -0.519 12.843 1.00 0.00 O ATOM 188 CB VAL A 16 -9.433 1.866 14.056 1.00 0.00 C ATOM 189 CG1 VAL A 16 -10.466 1.769 15.168 1.00 0.00 C ATOM 190 CG2 VAL A 16 -8.484 3.029 14.298 1.00 0.00 C ATOM 0 H VAL A 16 -8.040 0.517 11.924 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.104 0.369 14.858 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.960 2.046 13.119 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.011 2.710 15.242 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.164 0.962 14.947 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.964 1.565 16.114 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.056 3.953 14.384 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.928 2.859 15.220 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.787 3.110 13.464 1.00 0.00 H new ATOM 200 N PRO A 17 -9.470 -1.682 14.464 1.00 0.00 N ATOM 201 CA PRO A 17 -8.418 -1.784 15.480 1.00 0.00 C ATOM 202 C PRO A 17 -7.027 -1.896 14.866 1.00 0.00 C ATOM 203 O PRO A 17 -6.883 -2.004 13.648 1.00 0.00 O ATOM 204 CB PRO A 17 -8.775 -3.069 16.232 1.00 0.00 C ATOM 205 CG PRO A 17 -9.549 -3.880 15.250 1.00 0.00 C ATOM 206 CD PRO A 17 -10.304 -2.894 14.403 1.00 0.00 C ATOM 0 HA PRO A 17 -8.378 -0.899 16.115 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.880 -3.596 16.563 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.366 -2.855 17.122 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.885 -4.491 14.639 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.232 -4.561 15.758 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.421 -3.250 13.379 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.305 -2.713 14.794 1.00 0.00 H new ATOM 214 N SER A 18 -6.006 -1.870 15.716 1.00 0.00 N ATOM 215 CA SER A 18 -4.625 -1.964 15.255 1.00 0.00 C ATOM 216 C SER A 18 -4.262 -3.408 14.921 1.00 0.00 C ATOM 217 O SER A 18 -3.349 -3.664 14.138 1.00 0.00 O ATOM 218 CB SER A 18 -3.672 -1.420 16.320 1.00 0.00 C ATOM 219 OG SER A 18 -2.379 -1.198 15.782 1.00 0.00 O ATOM 0 H SER A 18 -6.108 -1.785 16.727 1.00 0.00 H new ATOM 0 HA SER A 18 -4.528 -1.364 14.350 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.067 -0.487 16.723 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.608 -2.124 17.149 1.00 0.00 H new ATOM 0 HG SER A 18 -1.789 -0.849 16.482 1.00 0.00 H new ATOM 225 N ASN A 19 -4.985 -4.348 15.522 1.00 0.00 N ATOM 226 CA ASN A 19 -4.739 -5.766 15.290 1.00 0.00 C ATOM 227 C ASN A 19 -6.024 -6.574 15.447 1.00 0.00 C ATOM 228 O ASN A 19 -6.493 -6.805 16.561 1.00 0.00 O ATOM 229 CB ASN A 19 -3.676 -6.286 16.260 1.00 0.00 C ATOM 230 CG ASN A 19 -2.268 -5.944 15.811 1.00 0.00 C ATOM 231 OD1 ASN A 19 -1.514 -6.816 15.378 1.00 0.00 O ATOM 232 ND2 ASN A 19 -1.908 -4.671 15.914 1.00 0.00 N ATOM 0 H ASN A 19 -5.746 -4.153 16.173 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.378 -5.884 14.268 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.852 -5.863 17.249 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.772 -7.368 16.354 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.973 -4.381 15.628 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.566 -3.983 16.279 1.00 0.00 H new ATOM 239 N ALA A 20 -6.589 -7.000 14.322 1.00 0.00 N ATOM 240 CA ALA A 20 -7.818 -7.784 14.334 1.00 0.00 C ATOM 241 C ALA A 20 -7.534 -9.255 14.052 1.00 0.00 C ATOM 242 O ALA A 20 -6.386 -9.646 13.840 1.00 0.00 O ATOM 243 CB ALA A 20 -8.806 -7.231 13.317 1.00 0.00 C ATOM 0 H ALA A 20 -6.215 -6.815 13.391 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.257 -7.710 15.329 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.719 -7.826 13.336 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.042 -6.196 13.564 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.366 -7.275 12.321 1.00 0.00 H new ATOM 249 N ALA A 21 -8.586 -10.067 14.052 1.00 0.00 N ATOM 250 CA ALA A 21 -8.449 -11.496 13.796 1.00 0.00 C ATOM 251 C ALA A 21 -9.171 -11.894 12.513 1.00 0.00 C ATOM 252 O ALA A 21 -10.152 -11.264 12.121 1.00 0.00 O ATOM 253 CB ALA A 21 -8.981 -12.297 14.974 1.00 0.00 C ATOM 0 H ALA A 21 -9.543 -9.760 14.226 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.389 -11.718 13.670 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.872 -13.362 14.769 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.418 -12.041 15.872 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.034 -12.063 15.127 1.00 0.00 H new ATOM 259 N GLU A 22 -8.677 -12.944 11.863 1.00 0.00 N ATOM 260 CA GLU A 22 -9.276 -13.425 10.624 1.00 0.00 C ATOM 261 C GLU A 22 -10.799 -13.354 10.691 1.00 0.00 C ATOM 262 O GLU A 22 -11.409 -13.796 11.664 1.00 0.00 O ATOM 263 CB GLU A 22 -8.834 -14.863 10.342 1.00 0.00 C ATOM 264 CG GLU A 22 -7.473 -14.961 9.673 1.00 0.00 C ATOM 265 CD GLU A 22 -6.875 -16.351 9.768 1.00 0.00 C ATOM 266 OE1 GLU A 22 -7.551 -17.318 9.359 1.00 0.00 O ATOM 267 OE2 GLU A 22 -5.731 -16.472 10.253 1.00 0.00 O ATOM 0 H GLU A 22 -7.865 -13.477 12.174 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.935 -12.781 9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.809 -15.417 11.280 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.577 -15.345 9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.567 -14.681 8.624 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.793 -14.245 10.134 1.00 0.00 H new ATOM 274 N GLY A 23 -11.406 -12.792 9.650 1.00 0.00 N ATOM 275 CA GLY A 23 -12.852 -12.672 9.611 1.00 0.00 C ATOM 276 C GLY A 23 -13.338 -11.347 10.164 1.00 0.00 C ATOM 277 O GLY A 23 -14.480 -10.949 9.929 1.00 0.00 O ATOM 0 H GLY A 23 -10.923 -12.418 8.833 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.195 -12.781 8.582 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.297 -13.486 10.183 1.00 0.00 H new ATOM 281 N LYS A 24 -12.472 -10.662 10.902 1.00 0.00 N ATOM 282 CA LYS A 24 -12.818 -9.374 11.491 1.00 0.00 C ATOM 283 C LYS A 24 -12.634 -8.246 10.481 1.00 0.00 C ATOM 284 O LYS A 24 -12.153 -8.468 9.370 1.00 0.00 O ATOM 285 CB LYS A 24 -11.959 -9.108 12.729 1.00 0.00 C ATOM 286 CG LYS A 24 -12.232 -10.067 13.876 1.00 0.00 C ATOM 287 CD LYS A 24 -13.495 -9.689 14.630 1.00 0.00 C ATOM 288 CE LYS A 24 -14.072 -10.877 15.384 1.00 0.00 C ATOM 289 NZ LYS A 24 -14.857 -11.773 14.491 1.00 0.00 N ATOM 0 H LYS A 24 -11.524 -10.978 11.107 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.867 -9.408 11.784 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.907 -9.176 12.452 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.134 -8.088 13.070 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.328 -11.081 13.488 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.384 -10.067 14.561 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.274 -8.884 15.331 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.237 -9.306 13.929 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.262 -11.443 15.845 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.711 -10.519 16.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.233 -12.570 15.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.645 -11.240 14.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.242 -12.135 13.735 1.00 0.00 H new ATOM 303 N GLU A 25 -13.019 -7.036 10.874 1.00 0.00 N ATOM 304 CA GLU A 25 -12.895 -5.874 10.002 1.00 0.00 C ATOM 305 C GLU A 25 -11.892 -4.873 10.568 1.00 0.00 C ATOM 306 O GLU A 25 -11.777 -4.712 11.783 1.00 0.00 O ATOM 307 CB GLU A 25 -14.256 -5.200 9.817 1.00 0.00 C ATOM 308 CG GLU A 25 -15.377 -6.171 9.486 1.00 0.00 C ATOM 309 CD GLU A 25 -15.846 -6.954 10.697 1.00 0.00 C ATOM 310 OE1 GLU A 25 -16.402 -6.334 11.627 1.00 0.00 O ATOM 311 OE2 GLU A 25 -15.658 -8.189 10.714 1.00 0.00 O ATOM 0 H GLU A 25 -13.419 -6.835 11.790 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.532 -6.216 9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.512 -4.661 10.729 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.180 -4.460 9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -16.218 -5.620 9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.036 -6.866 8.718 1.00 0.00 H new ATOM 318 N VAL A 26 -11.167 -4.203 9.678 1.00 0.00 N ATOM 319 CA VAL A 26 -10.174 -3.217 10.087 1.00 0.00 C ATOM 320 C VAL A 26 -10.378 -1.895 9.356 1.00 0.00 C ATOM 321 O VAL A 26 -10.361 -1.844 8.126 1.00 0.00 O ATOM 322 CB VAL A 26 -8.742 -3.720 9.825 1.00 0.00 C ATOM 323 CG1 VAL A 26 -7.724 -2.653 10.196 1.00 0.00 C ATOM 324 CG2 VAL A 26 -8.482 -5.008 10.593 1.00 0.00 C ATOM 0 H VAL A 26 -11.249 -4.325 8.669 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.306 -3.061 11.158 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.638 -3.931 8.761 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.718 -3.027 10.004 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.899 -1.759 9.597 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.824 -2.407 11.253 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.466 -5.350 10.397 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.604 -4.826 11.661 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.190 -5.772 10.272 1.00 0.00 H new ATOM 334 N LEU A 27 -10.570 -0.826 10.121 1.00 0.00 N ATOM 335 CA LEU A 27 -10.777 0.499 9.546 1.00 0.00 C ATOM 336 C LEU A 27 -9.488 1.313 9.576 1.00 0.00 C ATOM 337 O LEU A 27 -8.971 1.638 10.646 1.00 0.00 O ATOM 338 CB LEU A 27 -11.879 1.240 10.306 1.00 0.00 C ATOM 339 CG LEU A 27 -11.985 2.741 10.039 1.00 0.00 C ATOM 340 CD1 LEU A 27 -12.928 3.012 8.877 1.00 0.00 C ATOM 341 CD2 LEU A 27 -12.452 3.473 11.289 1.00 0.00 C ATOM 0 H LEU A 27 -10.587 -0.851 11.141 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.082 0.373 8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.836 0.779 10.060 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.719 1.092 11.374 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.996 3.113 9.772 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.991 4.086 8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.551 2.520 7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.919 2.625 9.115 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.522 4.541 11.081 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.431 3.097 11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.738 3.307 12.096 1.00 0.00 H new ATOM 353 N LEU A 28 -8.974 1.641 8.396 1.00 0.00 N ATOM 354 CA LEU A 28 -7.745 2.420 8.286 1.00 0.00 C ATOM 355 C LEU A 28 -8.049 3.914 8.246 1.00 0.00 C ATOM 356 O LEU A 28 -8.325 4.474 7.185 1.00 0.00 O ATOM 357 CB LEU A 28 -6.970 2.012 7.032 1.00 0.00 C ATOM 358 CG LEU A 28 -6.433 0.581 7.011 1.00 0.00 C ATOM 359 CD1 LEU A 28 -5.854 0.248 5.645 1.00 0.00 C ATOM 360 CD2 LEU A 28 -5.385 0.388 8.098 1.00 0.00 C ATOM 0 H LEU A 28 -9.389 1.380 7.502 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.135 2.216 9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.620 2.148 6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.130 2.696 6.910 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.261 -0.100 7.208 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.477 -0.775 5.649 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.631 0.345 4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.038 0.935 5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.014 -0.636 8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.558 1.078 7.933 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.832 0.584 9.073 1.00 0.00 H new ATOM 372 N LEU A 29 -7.996 4.554 9.409 1.00 0.00 N ATOM 373 CA LEU A 29 -8.263 5.985 9.508 1.00 0.00 C ATOM 374 C LEU A 29 -7.115 6.796 8.914 1.00 0.00 C ATOM 375 O LEU A 29 -5.982 6.321 8.835 1.00 0.00 O ATOM 376 CB LEU A 29 -8.482 6.384 10.968 1.00 0.00 C ATOM 377 CG LEU A 29 -9.920 6.291 11.481 1.00 0.00 C ATOM 378 CD1 LEU A 29 -9.957 6.433 12.994 1.00 0.00 C ATOM 379 CD2 LEU A 29 -10.790 7.352 10.823 1.00 0.00 C ATOM 0 H LEU A 29 -7.771 4.105 10.297 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.168 6.200 8.940 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.852 5.752 11.595 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.136 7.409 11.099 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.316 5.310 11.219 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.988 6.364 13.341 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.367 5.637 13.449 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.542 7.400 13.279 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.810 7.271 11.200 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.395 8.341 11.054 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.789 7.205 9.743 1.00 0.00 H new ATOM 391 N VAL A 30 -7.416 8.022 8.500 1.00 0.00 N ATOM 392 CA VAL A 30 -6.410 8.901 7.917 1.00 0.00 C ATOM 393 C VAL A 30 -6.413 10.267 8.594 1.00 0.00 C ATOM 394 O VAL A 30 -7.427 10.966 8.601 1.00 0.00 O ATOM 395 CB VAL A 30 -6.637 9.090 6.405 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.355 9.544 5.725 1.00 0.00 C ATOM 397 CG2 VAL A 30 -7.155 7.803 5.780 1.00 0.00 C ATOM 0 H VAL A 30 -8.349 8.429 8.558 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.444 8.422 8.075 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.390 9.866 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.535 9.672 4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.031 10.492 6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.578 8.794 5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.310 7.954 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.427 7.006 5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.100 7.526 6.248 1.00 0.00 H new ATOM 407 N HIS A 31 -5.271 10.642 9.163 1.00 0.00 N ATOM 408 CA HIS A 31 -5.142 11.925 9.843 1.00 0.00 C ATOM 409 C HIS A 31 -4.302 12.895 9.018 1.00 0.00 C ATOM 410 O HIS A 31 -3.872 12.572 7.911 1.00 0.00 O ATOM 411 CB HIS A 31 -4.512 11.734 11.223 1.00 0.00 C ATOM 412 CG HIS A 31 -5.055 10.555 11.971 1.00 0.00 C ATOM 413 ND1 HIS A 31 -6.400 10.371 12.211 1.00 0.00 N ATOM 414 CD2 HIS A 31 -4.426 9.496 12.532 1.00 0.00 C ATOM 415 CE1 HIS A 31 -6.575 9.250 12.889 1.00 0.00 C ATOM 416 NE2 HIS A 31 -5.392 8.700 13.096 1.00 0.00 N ATOM 0 H HIS A 31 -4.423 10.076 9.166 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.140 12.346 9.963 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.434 11.616 11.108 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.673 12.635 11.815 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -7.144 11.002 11.912 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.362 9.311 12.535 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.523 8.852 13.218 1.00 0.00 H new ATOM 425 N ASN A 32 -4.072 14.085 9.564 1.00 0.00 N ATOM 426 CA ASN A 32 -3.284 15.102 8.877 1.00 0.00 C ATOM 427 C ASN A 32 -3.634 15.151 7.393 1.00 0.00 C ATOM 428 O ASN A 32 -2.784 15.450 6.553 1.00 0.00 O ATOM 429 CB ASN A 32 -1.790 14.824 9.052 1.00 0.00 C ATOM 430 CG ASN A 32 -1.366 14.834 10.508 1.00 0.00 C ATOM 431 OD1 ASN A 32 -1.695 15.756 11.255 1.00 0.00 O ATOM 432 ND2 ASN A 32 -0.631 13.807 10.917 1.00 0.00 N ATOM 0 H ASN A 32 -4.420 14.369 10.480 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.520 16.070 9.320 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.550 13.856 8.613 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.217 15.573 8.505 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.315 13.760 11.886 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.382 13.065 10.263 1.00 0.00 H new ATOM 439 N LEU A 33 -4.890 14.856 7.077 1.00 0.00 N ATOM 440 CA LEU A 33 -5.354 14.867 5.694 1.00 0.00 C ATOM 441 C LEU A 33 -5.075 16.214 5.037 1.00 0.00 C ATOM 442 O LEU A 33 -4.857 17.225 5.705 1.00 0.00 O ATOM 443 CB LEU A 33 -6.851 14.558 5.635 1.00 0.00 C ATOM 444 CG LEU A 33 -7.228 13.078 5.549 1.00 0.00 C ATOM 445 CD1 LEU A 33 -8.725 12.897 5.745 1.00 0.00 C ATOM 446 CD2 LEU A 33 -6.788 12.493 4.214 1.00 0.00 C ATOM 0 H LEU A 33 -5.605 14.606 7.760 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.809 14.097 5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.324 14.982 6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.274 15.071 4.771 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.711 12.543 6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.975 11.838 5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.012 13.279 6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.262 13.444 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.064 11.439 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.278 13.031 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.707 12.589 4.113 1.00 0.00 H new ATOM 458 N PRO A 34 -5.084 16.232 3.696 1.00 0.00 N ATOM 459 CA PRO A 34 -4.836 17.450 2.918 1.00 0.00 C ATOM 460 C PRO A 34 -5.977 18.455 3.037 1.00 0.00 C ATOM 461 O PRO A 34 -6.889 18.280 3.844 1.00 0.00 O ATOM 462 CB PRO A 34 -4.723 16.936 1.481 1.00 0.00 C ATOM 463 CG PRO A 34 -5.506 15.669 1.468 1.00 0.00 C ATOM 464 CD PRO A 34 -5.337 15.064 2.835 1.00 0.00 C ATOM 0 HA PRO A 34 -3.951 17.983 3.265 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.126 17.657 0.770 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.683 16.762 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.557 15.862 1.254 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.142 14.993 0.694 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.229 14.520 3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.507 14.358 2.862 1.00 0.00 H new ATOM 472 N GLN A 35 -5.919 19.507 2.226 1.00 0.00 N ATOM 473 CA GLN A 35 -6.948 20.540 2.242 1.00 0.00 C ATOM 474 C GLN A 35 -8.122 20.152 1.349 1.00 0.00 C ATOM 475 O GLN A 35 -9.270 20.121 1.795 1.00 0.00 O ATOM 476 CB GLN A 35 -6.365 21.878 1.783 1.00 0.00 C ATOM 477 CG GLN A 35 -5.818 21.849 0.365 1.00 0.00 C ATOM 478 CD GLN A 35 -4.990 23.075 0.034 1.00 0.00 C ATOM 479 OE1 GLN A 35 -5.521 24.099 -0.399 1.00 0.00 O ATOM 480 NE2 GLN A 35 -3.681 22.979 0.236 1.00 0.00 N ATOM 0 H GLN A 35 -5.171 19.666 1.551 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.310 20.641 3.265 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.138 22.644 1.850 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.567 22.170 2.465 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.207 20.956 0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.647 21.774 -0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.283 22.112 0.596 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.074 23.773 0.031 1.00 0.00 H new ATOM 489 N ASP A 36 -7.828 19.856 0.088 1.00 0.00 N ATOM 490 CA ASP A 36 -8.860 19.468 -0.867 1.00 0.00 C ATOM 491 C ASP A 36 -8.462 18.197 -1.610 1.00 0.00 C ATOM 492 O ASP A 36 -7.887 18.238 -2.698 1.00 0.00 O ATOM 493 CB ASP A 36 -9.111 20.600 -1.865 1.00 0.00 C ATOM 494 CG ASP A 36 -7.824 21.214 -2.380 1.00 0.00 C ATOM 495 OD1 ASP A 36 -6.788 20.518 -2.368 1.00 0.00 O ATOM 496 OD2 ASP A 36 -7.853 22.392 -2.795 1.00 0.00 O ATOM 0 H ASP A 36 -6.884 19.877 -0.297 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.778 19.271 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.689 20.217 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.714 21.373 -1.389 1.00 0.00 H new ATOM 501 N PRO A 37 -8.774 17.038 -1.010 1.00 0.00 N ATOM 502 CA PRO A 37 -8.458 15.733 -1.597 1.00 0.00 C ATOM 503 C PRO A 37 -9.301 15.433 -2.832 1.00 0.00 C ATOM 504 O PRO A 37 -10.289 14.702 -2.759 1.00 0.00 O ATOM 505 CB PRO A 37 -8.789 14.749 -0.473 1.00 0.00 C ATOM 506 CG PRO A 37 -9.805 15.452 0.360 1.00 0.00 C ATOM 507 CD PRO A 37 -9.460 16.914 0.287 1.00 0.00 C ATOM 0 HA PRO A 37 -7.424 15.680 -1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.182 13.813 -0.870 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.902 14.501 0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.812 15.269 -0.016 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.780 15.096 1.390 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.351 17.540 0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.816 17.217 1.113 1.00 0.00 H new ATOM 515 N ARG A 38 -8.905 16.002 -3.966 1.00 0.00 N ATOM 516 CA ARG A 38 -9.624 15.796 -5.217 1.00 0.00 C ATOM 517 C ARG A 38 -10.204 14.386 -5.285 1.00 0.00 C ATOM 518 O ARG A 38 -11.281 14.173 -5.840 1.00 0.00 O ATOM 519 CB ARG A 38 -8.697 16.035 -6.409 1.00 0.00 C ATOM 520 CG ARG A 38 -9.424 16.485 -7.666 1.00 0.00 C ATOM 521 CD ARG A 38 -8.455 17.019 -8.709 1.00 0.00 C ATOM 522 NE ARG A 38 -9.081 18.010 -9.581 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.788 17.697 -10.661 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.959 16.426 -11.000 1.00 0.00 N ATOM 525 NH2 ARG A 38 -10.327 18.655 -11.404 1.00 0.00 N ATOM 0 H ARG A 38 -8.089 16.610 -4.044 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.446 16.511 -5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.957 16.788 -6.138 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.152 15.116 -6.624 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.984 15.648 -8.083 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.149 17.258 -7.411 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.596 17.467 -8.210 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.079 16.192 -9.311 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.969 18.997 -9.348 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.547 15.687 -10.431 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.502 16.188 -11.830 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.199 19.633 -11.146 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.870 18.413 -12.233 1.00 0.00 H new ATOM 539 N GLY A 39 -9.481 13.426 -4.716 1.00 0.00 N ATOM 540 CA GLY A 39 -9.939 12.049 -4.723 1.00 0.00 C ATOM 541 C GLY A 39 -8.987 11.118 -4.001 1.00 0.00 C ATOM 542 O GLY A 39 -7.796 11.406 -3.881 1.00 0.00 O ATOM 0 H GLY A 39 -8.586 13.578 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.922 11.994 -4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.058 11.714 -5.753 1.00 0.00 H new ATOM 546 N TYR A 40 -9.511 9.998 -3.516 1.00 0.00 N ATOM 547 CA TYR A 40 -8.700 9.022 -2.797 1.00 0.00 C ATOM 548 C TYR A 40 -8.436 7.792 -3.660 1.00 0.00 C ATOM 549 O TYR A 40 -9.221 7.463 -4.548 1.00 0.00 O ATOM 550 CB TYR A 40 -9.394 8.609 -1.498 1.00 0.00 C ATOM 551 CG TYR A 40 -10.007 9.767 -0.744 1.00 0.00 C ATOM 552 CD1 TYR A 40 -9.223 10.821 -0.292 1.00 0.00 C ATOM 553 CD2 TYR A 40 -11.372 9.808 -0.484 1.00 0.00 C ATOM 554 CE1 TYR A 40 -9.779 11.881 0.398 1.00 0.00 C ATOM 555 CE2 TYR A 40 -11.937 10.864 0.204 1.00 0.00 C ATOM 556 CZ TYR A 40 -11.136 11.898 0.643 1.00 0.00 C ATOM 557 OH TYR A 40 -11.694 12.952 1.329 1.00 0.00 O ATOM 0 H TYR A 40 -10.494 9.743 -3.608 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.744 9.487 -2.558 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -10.174 7.883 -1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.672 8.108 -0.853 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.160 10.812 -0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -12.002 9.000 -0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.155 12.692 0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.999 10.880 0.397 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.357 12.613 1.967 1.00 0.00 H new ATOM 567 N ASN A 41 -7.324 7.116 -3.390 1.00 0.00 N ATOM 568 CA ASN A 41 -6.955 5.921 -4.140 1.00 0.00 C ATOM 569 C ASN A 41 -5.991 5.051 -3.339 1.00 0.00 C ATOM 570 O ASN A 41 -4.856 5.447 -3.075 1.00 0.00 O ATOM 571 CB ASN A 41 -6.319 6.309 -5.477 1.00 0.00 C ATOM 572 CG ASN A 41 -5.573 7.627 -5.401 1.00 0.00 C ATOM 573 OD1 ASN A 41 -6.087 8.614 -4.875 1.00 0.00 O ATOM 574 ND2 ASN A 41 -4.355 7.649 -5.928 1.00 0.00 N ATOM 0 H ASN A 41 -6.663 7.375 -2.658 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.862 5.347 -4.329 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.632 5.523 -5.791 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.095 6.377 -6.239 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.806 8.508 -5.907 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.968 6.807 -6.354 1.00 0.00 H new ATOM 581 N TRP A 42 -6.452 3.866 -2.956 1.00 0.00 N ATOM 582 CA TRP A 42 -5.630 2.940 -2.185 1.00 0.00 C ATOM 583 C TRP A 42 -4.899 1.967 -3.104 1.00 0.00 C ATOM 584 O TRP A 42 -5.257 1.813 -4.272 1.00 0.00 O ATOM 585 CB TRP A 42 -6.495 2.167 -1.188 1.00 0.00 C ATOM 586 CG TRP A 42 -7.019 3.018 -0.072 1.00 0.00 C ATOM 587 CD1 TRP A 42 -8.106 3.845 -0.113 1.00 0.00 C ATOM 588 CD2 TRP A 42 -6.479 3.127 1.249 1.00 0.00 C ATOM 589 NE1 TRP A 42 -8.273 4.461 1.104 1.00 0.00 N ATOM 590 CE2 TRP A 42 -7.289 4.037 1.957 1.00 0.00 C ATOM 591 CE3 TRP A 42 -5.392 2.543 1.904 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.042 4.376 3.284 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.148 2.880 3.222 1.00 0.00 C ATOM 594 CH2 TRP A 42 -5.971 3.789 3.901 1.00 0.00 C ATOM 0 H TRP A 42 -7.390 3.524 -3.166 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.888 3.521 -1.637 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.335 1.718 -1.718 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.910 1.349 -0.768 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.740 3.993 -0.975 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.011 5.127 1.335 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.753 1.840 1.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.674 5.078 3.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.309 2.436 3.737 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.756 4.031 4.931 1.00 0.00 H new ATOM 605 N TYR A 43 -3.873 1.313 -2.570 1.00 0.00 N ATOM 606 CA TYR A 43 -3.091 0.356 -3.343 1.00 0.00 C ATOM 607 C TYR A 43 -2.499 -0.721 -2.439 1.00 0.00 C ATOM 608 O TYR A 43 -2.541 -0.612 -1.213 1.00 0.00 O ATOM 609 CB TYR A 43 -1.972 1.074 -4.099 1.00 0.00 C ATOM 610 CG TYR A 43 -2.462 2.203 -4.977 1.00 0.00 C ATOM 611 CD1 TYR A 43 -2.640 3.482 -4.464 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.748 1.991 -6.320 1.00 0.00 C ATOM 613 CE1 TYR A 43 -3.088 4.516 -5.262 1.00 0.00 C ATOM 614 CE2 TYR A 43 -3.196 3.020 -7.126 1.00 0.00 C ATOM 615 CZ TYR A 43 -3.364 4.281 -6.593 1.00 0.00 C ATOM 616 OH TYR A 43 -3.811 5.308 -7.392 1.00 0.00 O ATOM 0 H TYR A 43 -3.564 1.428 -1.605 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.757 -0.124 -4.061 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.255 1.469 -3.380 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.439 0.350 -4.716 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.424 3.671 -3.423 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.618 1.005 -6.741 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.222 5.504 -4.846 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.414 2.838 -8.168 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.957 4.975 -8.302 1.00 0.00 H new ATOM 626 N LYS A 44 -1.946 -1.761 -3.053 1.00 0.00 N ATOM 627 CA LYS A 44 -1.342 -2.859 -2.307 1.00 0.00 C ATOM 628 C LYS A 44 0.180 -2.783 -2.363 1.00 0.00 C ATOM 629 O LYS A 44 0.762 -2.582 -3.428 1.00 0.00 O ATOM 630 CB LYS A 44 -1.818 -4.203 -2.863 1.00 0.00 C ATOM 631 CG LYS A 44 -1.548 -5.375 -1.935 1.00 0.00 C ATOM 632 CD LYS A 44 -2.407 -6.577 -2.290 1.00 0.00 C ATOM 633 CE LYS A 44 -2.214 -7.713 -1.298 1.00 0.00 C ATOM 634 NZ LYS A 44 -0.852 -8.309 -1.395 1.00 0.00 N ATOM 0 H LYS A 44 -1.903 -1.867 -4.067 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.654 -2.773 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.888 -4.146 -3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.326 -4.386 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.495 -5.650 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.745 -5.078 -0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.456 -6.283 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.155 -6.922 -3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.377 -7.343 -0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.962 -8.485 -1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.788 -9.133 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.673 -8.609 -2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.143 -7.602 -1.114 1.00 0.00 H new ATOM 648 N GLY A 45 0.820 -2.948 -1.209 1.00 0.00 N ATOM 649 CA GLY A 45 2.269 -2.896 -1.150 1.00 0.00 C ATOM 650 C GLY A 45 2.774 -1.749 -0.297 1.00 0.00 C ATOM 651 O GLY A 45 2.080 -1.291 0.611 1.00 0.00 O ATOM 0 H GLY A 45 0.361 -3.117 -0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.647 -3.837 -0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.667 -2.797 -2.160 1.00 0.00 H new ATOM 655 N GLU A 46 3.985 -1.286 -0.587 1.00 0.00 N ATOM 656 CA GLU A 46 4.583 -0.187 0.163 1.00 0.00 C ATOM 657 C GLU A 46 4.884 0.996 -0.753 1.00 0.00 C ATOM 658 O GLU A 46 5.782 1.794 -0.480 1.00 0.00 O ATOM 659 CB GLU A 46 5.866 -0.651 0.855 1.00 0.00 C ATOM 660 CG GLU A 46 5.623 -1.608 2.010 1.00 0.00 C ATOM 661 CD GLU A 46 6.905 -2.014 2.711 1.00 0.00 C ATOM 662 OE1 GLU A 46 7.495 -1.162 3.408 1.00 0.00 O ATOM 663 OE2 GLU A 46 7.319 -3.182 2.562 1.00 0.00 O ATOM 0 H GLU A 46 4.572 -1.654 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 46 3.867 0.135 0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.509 -1.137 0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.405 0.221 1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.952 -1.139 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.119 -2.500 1.638 1.00 0.00 H new ATOM 670 N THR A 47 4.129 1.102 -1.841 1.00 0.00 N ATOM 671 CA THR A 47 4.315 2.185 -2.798 1.00 0.00 C ATOM 672 C THR A 47 3.157 2.251 -3.787 1.00 0.00 C ATOM 673 O THR A 47 2.311 1.357 -3.828 1.00 0.00 O ATOM 674 CB THR A 47 5.633 2.025 -3.579 1.00 0.00 C ATOM 675 OG1 THR A 47 5.504 2.600 -4.883 1.00 0.00 O ATOM 676 CG2 THR A 47 6.014 0.557 -3.702 1.00 0.00 C ATOM 0 H THR A 47 3.382 0.450 -2.082 1.00 0.00 H new ATOM 0 HA THR A 47 4.351 3.110 -2.223 1.00 0.00 H new ATOM 0 HB THR A 47 6.419 2.544 -3.031 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.347 2.495 -5.372 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.948 0.469 -4.257 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.141 0.130 -2.707 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.226 0.020 -4.230 1.00 0.00 H new ATOM 684 N VAL A 48 3.125 3.314 -4.585 1.00 0.00 N ATOM 685 CA VAL A 48 2.071 3.495 -5.576 1.00 0.00 C ATOM 686 C VAL A 48 2.160 2.438 -6.671 1.00 0.00 C ATOM 687 O VAL A 48 3.029 2.502 -7.540 1.00 0.00 O ATOM 688 CB VAL A 48 2.139 4.893 -6.219 1.00 0.00 C ATOM 689 CG1 VAL A 48 1.057 5.047 -7.276 1.00 0.00 C ATOM 690 CG2 VAL A 48 2.017 5.974 -5.156 1.00 0.00 C ATOM 0 H VAL A 48 3.817 4.063 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 48 1.121 3.391 -5.051 1.00 0.00 H new ATOM 0 HB VAL A 48 3.107 5.004 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.120 6.041 -7.719 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.196 4.294 -8.052 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.078 4.917 -6.816 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.067 6.955 -5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.064 5.869 -4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.833 5.874 -4.440 1.00 0.00 H new ATOM 700 N ASP A 49 1.254 1.467 -6.624 1.00 0.00 N ATOM 701 CA ASP A 49 1.228 0.397 -7.613 1.00 0.00 C ATOM 702 C ASP A 49 -0.106 0.373 -8.353 1.00 0.00 C ATOM 703 O ASP A 49 -1.099 -0.145 -7.845 1.00 0.00 O ATOM 704 CB ASP A 49 1.477 -0.954 -6.941 1.00 0.00 C ATOM 705 CG ASP A 49 2.954 -1.252 -6.769 1.00 0.00 C ATOM 706 OD1 ASP A 49 3.729 -0.970 -7.707 1.00 0.00 O ATOM 707 OD2 ASP A 49 3.334 -1.766 -5.696 1.00 0.00 O ATOM 0 H ASP A 49 0.528 1.400 -5.911 1.00 0.00 H new ATOM 0 HA ASP A 49 2.021 0.586 -8.337 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.991 -0.966 -5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.017 -1.743 -7.536 1.00 0.00 H new ATOM 712 N ALA A 50 -0.120 0.937 -9.556 1.00 0.00 N ATOM 713 CA ALA A 50 -1.331 0.980 -10.366 1.00 0.00 C ATOM 714 C ALA A 50 -1.822 -0.426 -10.694 1.00 0.00 C ATOM 715 O ALA A 50 -3.023 -0.688 -10.702 1.00 0.00 O ATOM 716 CB ALA A 50 -1.083 1.766 -11.645 1.00 0.00 C ATOM 0 H ALA A 50 0.694 1.371 -9.991 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.107 1.482 -9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.996 1.790 -12.240 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.786 2.785 -11.394 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.289 1.287 -12.218 1.00 0.00 H new ATOM 722 N ASN A 51 -0.883 -1.328 -10.965 1.00 0.00 N ATOM 723 CA ASN A 51 -1.221 -2.707 -11.295 1.00 0.00 C ATOM 724 C ASN A 51 -1.878 -3.405 -10.108 1.00 0.00 C ATOM 725 O ASN A 51 -2.639 -4.358 -10.279 1.00 0.00 O ATOM 726 CB ASN A 51 0.033 -3.473 -11.721 1.00 0.00 C ATOM 727 CG ASN A 51 0.667 -2.896 -12.971 1.00 0.00 C ATOM 728 OD1 ASN A 51 0.002 -2.234 -13.768 1.00 0.00 O ATOM 729 ND2 ASN A 51 1.959 -3.144 -13.149 1.00 0.00 N ATOM 0 H ASN A 51 0.117 -1.128 -10.962 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.929 -2.693 -12.123 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.759 -3.456 -10.908 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.225 -4.517 -11.897 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.439 -2.781 -13.972 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.471 -3.698 -12.462 1.00 0.00 H new ATOM 736 N ARG A 52 -1.579 -2.924 -8.906 1.00 0.00 N ATOM 737 CA ARG A 52 -2.140 -3.502 -7.690 1.00 0.00 C ATOM 738 C ARG A 52 -3.192 -2.578 -7.085 1.00 0.00 C ATOM 739 O ARG A 52 -3.537 -2.699 -5.909 1.00 0.00 O ATOM 740 CB ARG A 52 -1.033 -3.770 -6.669 1.00 0.00 C ATOM 741 CG ARG A 52 0.058 -4.695 -7.183 1.00 0.00 C ATOM 742 CD ARG A 52 -0.415 -6.140 -7.235 1.00 0.00 C ATOM 743 NE ARG A 52 0.692 -7.072 -7.432 1.00 0.00 N ATOM 744 CZ ARG A 52 1.197 -7.372 -8.623 1.00 0.00 C ATOM 745 NH1 ARG A 52 0.697 -6.817 -9.718 1.00 0.00 N ATOM 746 NH2 ARG A 52 2.205 -8.230 -8.721 1.00 0.00 N ATOM 0 H ARG A 52 -0.952 -2.136 -8.748 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.618 -4.446 -7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.584 -2.821 -6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.475 -4.206 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.368 -4.376 -8.178 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.933 -4.621 -6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.934 -6.385 -6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.135 -6.257 -8.045 1.00 0.00 H new ATOM 0 HE ARG A 52 1.100 -7.517 -6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.078 -6.157 -9.647 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.087 -7.049 -10.631 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.592 -8.660 -7.881 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.592 -8.460 -9.636 1.00 0.00 H new ATOM 760 N ARG A 53 -3.698 -1.654 -7.895 1.00 0.00 N ATOM 761 CA ARG A 53 -4.709 -0.708 -7.439 1.00 0.00 C ATOM 762 C ARG A 53 -5.921 -1.440 -6.870 1.00 0.00 C ATOM 763 O ARG A 53 -6.620 -2.155 -7.588 1.00 0.00 O ATOM 764 CB ARG A 53 -5.144 0.201 -8.590 1.00 0.00 C ATOM 765 CG ARG A 53 -6.204 1.217 -8.196 1.00 0.00 C ATOM 766 CD ARG A 53 -6.230 2.395 -9.157 1.00 0.00 C ATOM 767 NE ARG A 53 -6.847 2.046 -10.434 1.00 0.00 N ATOM 768 CZ ARG A 53 -6.609 2.697 -11.567 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.772 3.725 -11.582 1.00 0.00 N ATOM 770 NH2 ARG A 53 -7.209 2.320 -12.689 1.00 0.00 N ATOM 0 H ARG A 53 -3.424 -1.540 -8.871 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.270 -0.098 -6.649 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.271 0.729 -8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.528 -0.415 -9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.182 0.737 -8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.009 1.575 -7.185 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.778 3.221 -8.703 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.212 2.745 -9.330 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.496 1.259 -10.457 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.309 4.018 -10.722 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.591 4.223 -12.454 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.854 1.530 -12.682 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.026 2.821 -13.559 1.00 0.00 H new ATOM 784 N ILE A 54 -6.162 -1.257 -5.576 1.00 0.00 N ATOM 785 CA ILE A 54 -7.289 -1.900 -4.911 1.00 0.00 C ATOM 786 C ILE A 54 -8.605 -1.226 -5.285 1.00 0.00 C ATOM 787 O ILE A 54 -9.525 -1.873 -5.786 1.00 0.00 O ATOM 788 CB ILE A 54 -7.129 -1.873 -3.380 1.00 0.00 C ATOM 789 CG1 ILE A 54 -5.823 -2.556 -2.969 1.00 0.00 C ATOM 790 CG2 ILE A 54 -8.318 -2.547 -2.711 1.00 0.00 C ATOM 791 CD1 ILE A 54 -5.398 -2.246 -1.551 1.00 0.00 C ATOM 0 H ILE A 54 -5.592 -0.669 -4.968 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.305 -2.936 -5.248 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.093 -0.834 -3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.937 -3.635 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.031 -2.249 -3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.190 -2.520 -1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.234 -2.021 -2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.383 -3.583 -3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.465 -2.764 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.251 -1.171 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.171 -2.579 -0.858 1.00 0.00 H new ATOM 803 N ILE A 55 -8.686 0.077 -5.040 1.00 0.00 N ATOM 804 CA ILE A 55 -9.889 0.840 -5.355 1.00 0.00 C ATOM 805 C ILE A 55 -9.606 2.338 -5.352 1.00 0.00 C ATOM 806 O ILE A 55 -8.763 2.820 -4.597 1.00 0.00 O ATOM 807 CB ILE A 55 -11.022 0.541 -4.355 1.00 0.00 C ATOM 808 CG1 ILE A 55 -12.371 0.968 -4.937 1.00 0.00 C ATOM 809 CG2 ILE A 55 -10.762 1.246 -3.033 1.00 0.00 C ATOM 810 CD1 ILE A 55 -13.533 0.137 -4.443 1.00 0.00 C ATOM 0 H ILE A 55 -7.934 0.627 -4.625 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.205 0.535 -6.352 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.050 -0.533 -4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.551 2.014 -4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.325 0.904 -6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.571 1.025 -2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.818 0.897 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.710 2.322 -3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.456 0.496 -4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -13.376 -0.906 -4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.605 0.221 -3.359 1.00 0.00 H new ATOM 822 N GLY A 56 -10.319 3.071 -6.202 1.00 0.00 N ATOM 823 CA GLY A 56 -10.132 4.508 -6.281 1.00 0.00 C ATOM 824 C GLY A 56 -11.446 5.263 -6.308 1.00 0.00 C ATOM 825 O GLY A 56 -12.382 4.869 -7.004 1.00 0.00 O ATOM 0 H GLY A 56 -11.023 2.695 -6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.542 4.842 -5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.560 4.748 -7.177 1.00 0.00 H new ATOM 829 N TYR A 57 -11.517 6.350 -5.548 1.00 0.00 N ATOM 830 CA TYR A 57 -12.728 7.160 -5.484 1.00 0.00 C ATOM 831 C TYR A 57 -12.421 8.623 -5.791 1.00 0.00 C ATOM 832 O TYR A 57 -11.347 9.126 -5.463 1.00 0.00 O ATOM 833 CB TYR A 57 -13.373 7.042 -4.102 1.00 0.00 C ATOM 834 CG TYR A 57 -14.359 8.147 -3.798 1.00 0.00 C ATOM 835 CD1 TYR A 57 -15.642 8.128 -4.333 1.00 0.00 C ATOM 836 CD2 TYR A 57 -14.009 9.212 -2.977 1.00 0.00 C ATOM 837 CE1 TYR A 57 -16.546 9.136 -4.059 1.00 0.00 C ATOM 838 CE2 TYR A 57 -14.906 10.223 -2.696 1.00 0.00 C ATOM 839 CZ TYR A 57 -16.173 10.181 -3.240 1.00 0.00 C ATOM 840 OH TYR A 57 -17.070 11.187 -2.963 1.00 0.00 O ATOM 0 H TYR A 57 -10.750 6.691 -4.968 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.424 6.788 -6.236 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.883 6.081 -4.029 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.590 7.046 -3.343 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.937 7.311 -4.974 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.017 9.249 -2.551 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.539 9.106 -4.483 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -14.617 11.042 -2.054 1.00 0.00 H new ATOM 0 HH TYR A 57 -16.651 11.845 -2.371 1.00 0.00 H new ATOM 850 N VAL A 58 -13.374 9.300 -6.423 1.00 0.00 N ATOM 851 CA VAL A 58 -13.209 10.705 -6.774 1.00 0.00 C ATOM 852 C VAL A 58 -14.354 11.548 -6.223 1.00 0.00 C ATOM 853 O VAL A 58 -15.512 11.360 -6.598 1.00 0.00 O ATOM 854 CB VAL A 58 -13.133 10.898 -8.300 1.00 0.00 C ATOM 855 CG1 VAL A 58 -12.901 12.361 -8.644 1.00 0.00 C ATOM 856 CG2 VAL A 58 -12.039 10.023 -8.894 1.00 0.00 C ATOM 0 H VAL A 58 -14.269 8.898 -6.702 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.271 11.034 -6.327 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.086 10.595 -8.734 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.850 12.477 -9.727 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.722 12.961 -8.253 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.964 12.695 -8.199 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.000 10.172 -9.973 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.079 10.293 -8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.254 8.976 -8.680 1.00 0.00 H new ATOM 866 N ILE A 59 -14.023 12.476 -5.332 1.00 0.00 N ATOM 867 CA ILE A 59 -15.024 13.349 -4.731 1.00 0.00 C ATOM 868 C ILE A 59 -15.666 14.252 -5.778 1.00 0.00 C ATOM 869 O ILE A 59 -16.844 14.595 -5.679 1.00 0.00 O ATOM 870 CB ILE A 59 -14.413 14.223 -3.620 1.00 0.00 C ATOM 871 CG1 ILE A 59 -13.847 13.344 -2.503 1.00 0.00 C ATOM 872 CG2 ILE A 59 -15.457 15.183 -3.068 1.00 0.00 C ATOM 873 CD1 ILE A 59 -12.714 13.994 -1.739 1.00 0.00 C ATOM 0 H ILE A 59 -13.070 12.643 -5.010 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.787 12.703 -4.296 1.00 0.00 H new ATOM 0 HB ILE A 59 -13.597 14.808 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -14.648 13.094 -1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -13.494 12.406 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.011 15.794 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.818 15.828 -3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.291 14.615 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -12.362 13.315 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -11.896 14.219 -2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -13.067 14.917 -1.280 1.00 0.00 H new ATOM 885 N SER A 60 -14.884 14.634 -6.783 1.00 0.00 N ATOM 886 CA SER A 60 -15.375 15.499 -7.848 1.00 0.00 C ATOM 887 C SER A 60 -16.818 15.155 -8.206 1.00 0.00 C ATOM 888 O SER A 60 -17.725 15.965 -8.020 1.00 0.00 O ATOM 889 CB SER A 60 -14.487 15.373 -9.088 1.00 0.00 C ATOM 890 OG SER A 60 -14.705 16.449 -9.983 1.00 0.00 O ATOM 0 H SER A 60 -13.907 14.357 -6.881 1.00 0.00 H new ATOM 0 HA SER A 60 -15.343 16.528 -7.490 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.439 15.352 -8.788 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.693 14.429 -9.592 1.00 0.00 H new ATOM 0 HG SER A 60 -14.125 16.346 -10.766 1.00 0.00 H new ATOM 896 N ASN A 61 -17.021 13.947 -8.721 1.00 0.00 N ATOM 897 CA ASN A 61 -18.353 13.494 -9.105 1.00 0.00 C ATOM 898 C ASN A 61 -18.676 12.148 -8.464 1.00 0.00 C ATOM 899 O ASN A 61 -19.549 11.419 -8.935 1.00 0.00 O ATOM 900 CB ASN A 61 -18.457 13.384 -10.628 1.00 0.00 C ATOM 901 CG ASN A 61 -17.228 12.747 -11.247 1.00 0.00 C ATOM 902 OD1 ASN A 61 -16.116 13.259 -11.116 1.00 0.00 O ATOM 903 ND2 ASN A 61 -17.423 11.623 -11.926 1.00 0.00 N ATOM 0 H ASN A 61 -16.280 13.264 -8.882 1.00 0.00 H new ATOM 0 HA ASN A 61 -19.076 14.228 -8.750 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -19.337 12.796 -10.888 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -18.601 14.378 -11.052 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.634 11.149 -12.364 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -18.362 11.234 -12.009 1.00 0.00 H new ATOM 910 N GLN A 62 -17.967 11.826 -7.387 1.00 0.00 N ATOM 911 CA GLN A 62 -18.179 10.568 -6.681 1.00 0.00 C ATOM 912 C GLN A 62 -18.074 9.384 -7.636 1.00 0.00 C ATOM 913 O GLN A 62 -18.984 8.560 -7.720 1.00 0.00 O ATOM 914 CB GLN A 62 -19.547 10.567 -5.997 1.00 0.00 C ATOM 915 CG GLN A 62 -19.778 11.769 -5.096 1.00 0.00 C ATOM 916 CD GLN A 62 -21.086 11.685 -4.334 1.00 0.00 C ATOM 917 OE1 GLN A 62 -21.532 10.599 -3.962 1.00 0.00 O ATOM 918 NE2 GLN A 62 -21.708 12.834 -4.097 1.00 0.00 N ATOM 0 H GLN A 62 -17.241 12.419 -6.984 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.402 10.470 -5.923 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -20.325 10.540 -6.760 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -19.648 9.656 -5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.954 11.851 -4.387 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.771 12.677 -5.699 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -21.302 13.711 -4.424 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -22.592 12.840 -3.588 1.00 0.00 H new ATOM 927 N GLN A 63 -16.958 9.306 -8.355 1.00 0.00 N ATOM 928 CA GLN A 63 -16.736 8.223 -9.305 1.00 0.00 C ATOM 929 C GLN A 63 -15.931 7.096 -8.667 1.00 0.00 C ATOM 930 O GLN A 63 -14.799 7.301 -8.226 1.00 0.00 O ATOM 931 CB GLN A 63 -16.009 8.745 -10.546 1.00 0.00 C ATOM 932 CG GLN A 63 -15.530 7.645 -11.479 1.00 0.00 C ATOM 933 CD GLN A 63 -14.357 8.077 -12.336 1.00 0.00 C ATOM 934 OE1 GLN A 63 -14.426 9.082 -13.043 1.00 0.00 O ATOM 935 NE2 GLN A 63 -13.269 7.317 -12.277 1.00 0.00 N ATOM 0 H GLN A 63 -16.194 9.980 -8.297 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.708 7.829 -9.601 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.676 9.410 -11.095 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.153 9.341 -10.231 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.244 6.774 -10.890 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.353 7.337 -12.124 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.255 6.492 -11.677 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.448 7.558 -12.832 1.00 0.00 H new ATOM 944 N ILE A 64 -16.521 5.906 -8.620 1.00 0.00 N ATOM 945 CA ILE A 64 -15.858 4.747 -8.036 1.00 0.00 C ATOM 946 C ILE A 64 -15.384 3.783 -9.118 1.00 0.00 C ATOM 947 O ILE A 64 -16.141 3.422 -10.020 1.00 0.00 O ATOM 948 CB ILE A 64 -16.788 3.996 -7.066 1.00 0.00 C ATOM 949 CG1 ILE A 64 -17.270 4.934 -5.957 1.00 0.00 C ATOM 950 CG2 ILE A 64 -16.074 2.790 -6.474 1.00 0.00 C ATOM 951 CD1 ILE A 64 -16.362 4.956 -4.748 1.00 0.00 C ATOM 0 H ILE A 64 -17.457 5.720 -8.980 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.996 5.121 -7.483 1.00 0.00 H new ATOM 0 HB ILE A 64 -17.657 3.643 -7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -17.353 5.944 -6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -18.270 4.631 -5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -16.745 2.270 -5.790 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.776 2.114 -7.275 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -15.189 3.121 -5.932 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -16.765 5.642 -4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.298 3.954 -4.323 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -15.367 5.288 -5.046 1.00 0.00 H new ATOM 963 N THR A 65 -14.125 3.366 -9.021 1.00 0.00 N ATOM 964 CA THR A 65 -13.549 2.442 -9.990 1.00 0.00 C ATOM 965 C THR A 65 -12.723 1.364 -9.298 1.00 0.00 C ATOM 966 O THR A 65 -11.591 1.592 -8.873 1.00 0.00 O ATOM 967 CB THR A 65 -12.659 3.180 -11.009 1.00 0.00 C ATOM 968 OG1 THR A 65 -13.349 4.323 -11.525 1.00 0.00 O ATOM 969 CG2 THR A 65 -12.269 2.257 -12.154 1.00 0.00 C ATOM 0 H THR A 65 -13.485 3.654 -8.281 1.00 0.00 H new ATOM 0 HA THR A 65 -14.382 1.976 -10.516 1.00 0.00 H new ATOM 0 HB THR A 65 -11.752 3.504 -10.499 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.939 4.598 -12.372 1.00 0.00 H new ATOM 0 HG21 THR A 65 -11.641 2.799 -12.861 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.718 1.402 -11.761 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.168 1.907 -12.662 1.00 0.00 H new ATOM 977 N PRO A 66 -13.301 0.159 -9.182 1.00 0.00 N ATOM 978 CA PRO A 66 -12.635 -0.980 -8.543 1.00 0.00 C ATOM 979 C PRO A 66 -11.470 -1.510 -9.372 1.00 0.00 C ATOM 980 O PRO A 66 -11.653 -1.957 -10.503 1.00 0.00 O ATOM 981 CB PRO A 66 -13.744 -2.031 -8.446 1.00 0.00 C ATOM 982 CG PRO A 66 -14.693 -1.683 -9.541 1.00 0.00 C ATOM 983 CD PRO A 66 -14.649 -0.185 -9.666 1.00 0.00 C ATOM 0 HA PRO A 66 -12.200 -0.710 -7.581 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.347 -3.038 -8.572 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -14.234 -2.001 -7.473 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.402 -2.161 -10.476 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.701 -2.026 -9.308 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.800 0.137 -10.696 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.425 0.291 -9.066 1.00 0.00 H new ATOM 991 N GLY A 67 -10.271 -1.458 -8.800 1.00 0.00 N ATOM 992 CA GLY A 67 -9.094 -1.936 -9.501 1.00 0.00 C ATOM 993 C GLY A 67 -9.029 -3.450 -9.559 1.00 0.00 C ATOM 994 O GLY A 67 -9.956 -4.148 -9.148 1.00 0.00 O ATOM 0 H GLY A 67 -10.094 -1.093 -7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.091 -1.536 -10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.200 -1.556 -9.006 1.00 0.00 H new ATOM 998 N PRO A 68 -7.912 -3.978 -10.082 1.00 0.00 N ATOM 999 CA PRO A 68 -7.704 -5.424 -10.206 1.00 0.00 C ATOM 1000 C PRO A 68 -7.508 -6.100 -8.853 1.00 0.00 C ATOM 1001 O PRO A 68 -7.758 -7.295 -8.704 1.00 0.00 O ATOM 1002 CB PRO A 68 -6.428 -5.528 -11.045 1.00 0.00 C ATOM 1003 CG PRO A 68 -5.704 -4.250 -10.794 1.00 0.00 C ATOM 1004 CD PRO A 68 -6.767 -3.205 -10.591 1.00 0.00 C ATOM 0 HA PRO A 68 -8.565 -5.923 -10.651 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.828 -6.388 -10.748 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.659 -5.651 -12.103 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.063 -4.330 -9.916 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.061 -3.994 -11.636 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.450 -2.442 -9.880 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.010 -2.693 -11.522 1.00 0.00 H new ATOM 1012 N ALA A 69 -7.059 -5.326 -7.870 1.00 0.00 N ATOM 1013 CA ALA A 69 -6.832 -5.850 -6.529 1.00 0.00 C ATOM 1014 C ALA A 69 -8.070 -5.677 -5.655 1.00 0.00 C ATOM 1015 O ALA A 69 -7.964 -5.422 -4.455 1.00 0.00 O ATOM 1016 CB ALA A 69 -5.633 -5.165 -5.890 1.00 0.00 C ATOM 0 H ALA A 69 -6.845 -4.334 -7.977 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.625 -6.917 -6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.475 -5.566 -4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.745 -5.344 -6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.818 -4.093 -5.826 1.00 0.00 H new ATOM 1022 N TYR A 70 -9.242 -5.815 -6.264 1.00 0.00 N ATOM 1023 CA TYR A 70 -10.500 -5.670 -5.542 1.00 0.00 C ATOM 1024 C TYR A 70 -11.265 -6.990 -5.510 1.00 0.00 C ATOM 1025 O TYR A 70 -11.268 -7.742 -6.484 1.00 0.00 O ATOM 1026 CB TYR A 70 -11.362 -4.584 -6.188 1.00 0.00 C ATOM 1027 CG TYR A 70 -12.515 -4.131 -5.322 1.00 0.00 C ATOM 1028 CD1 TYR A 70 -12.338 -3.885 -3.966 1.00 0.00 C ATOM 1029 CD2 TYR A 70 -13.783 -3.947 -5.861 1.00 0.00 C ATOM 1030 CE1 TYR A 70 -13.390 -3.472 -3.172 1.00 0.00 C ATOM 1031 CE2 TYR A 70 -14.840 -3.532 -5.074 1.00 0.00 C ATOM 1032 CZ TYR A 70 -14.639 -3.297 -3.730 1.00 0.00 C ATOM 1033 OH TYR A 70 -15.688 -2.884 -2.942 1.00 0.00 O ATOM 0 H TYR A 70 -9.347 -6.027 -7.256 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.269 -5.379 -4.517 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.734 -3.724 -6.421 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.754 -4.958 -7.134 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.361 -4.019 -3.525 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.945 -4.132 -6.913 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.235 -3.287 -2.119 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.819 -3.392 -5.509 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.344 -2.551 -2.087 1.00 0.00 H new ATOM 1043 N SER A 71 -11.915 -7.263 -4.383 1.00 0.00 N ATOM 1044 CA SER A 71 -12.681 -8.492 -4.221 1.00 0.00 C ATOM 1045 C SER A 71 -14.051 -8.203 -3.614 1.00 0.00 C ATOM 1046 O SER A 71 -14.702 -9.094 -3.072 1.00 0.00 O ATOM 1047 CB SER A 71 -11.918 -9.482 -3.338 1.00 0.00 C ATOM 1048 OG SER A 71 -10.811 -10.034 -4.030 1.00 0.00 O ATOM 0 H SER A 71 -11.926 -6.649 -3.569 1.00 0.00 H new ATOM 0 HA SER A 71 -12.826 -8.933 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.572 -8.978 -2.436 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.587 -10.281 -3.020 1.00 0.00 H new ATOM 0 HG SER A 71 -10.339 -10.662 -3.444 1.00 0.00 H new ATOM 1054 N ASN A 72 -14.480 -6.949 -3.709 1.00 0.00 N ATOM 1055 CA ASN A 72 -15.772 -6.540 -3.169 1.00 0.00 C ATOM 1056 C ASN A 72 -15.810 -6.721 -1.655 1.00 0.00 C ATOM 1057 O ASN A 72 -16.772 -7.259 -1.108 1.00 0.00 O ATOM 1058 CB ASN A 72 -16.898 -7.346 -3.819 1.00 0.00 C ATOM 1059 CG ASN A 72 -18.206 -6.580 -3.863 1.00 0.00 C ATOM 1060 OD1 ASN A 72 -19.198 -6.988 -3.259 1.00 0.00 O ATOM 1061 ND2 ASN A 72 -18.214 -5.464 -4.582 1.00 0.00 N ATOM 0 H ASN A 72 -13.952 -6.198 -4.155 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.914 -5.483 -3.394 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.606 -7.620 -4.833 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.042 -8.275 -3.267 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -19.066 -4.907 -4.650 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.368 -5.163 -5.066 1.00 0.00 H new ATOM 1068 N ARG A 73 -14.757 -6.266 -0.983 1.00 0.00 N ATOM 1069 CA ARG A 73 -14.669 -6.378 0.468 1.00 0.00 C ATOM 1070 C ARG A 73 -14.244 -5.052 1.091 1.00 0.00 C ATOM 1071 O ARG A 73 -14.691 -4.696 2.180 1.00 0.00 O ATOM 1072 CB ARG A 73 -13.679 -7.478 0.857 1.00 0.00 C ATOM 1073 CG ARG A 73 -14.086 -8.861 0.378 1.00 0.00 C ATOM 1074 CD ARG A 73 -13.325 -9.952 1.115 1.00 0.00 C ATOM 1075 NE ARG A 73 -11.912 -9.978 0.745 1.00 0.00 N ATOM 1076 CZ ARG A 73 -10.957 -10.472 1.525 1.00 0.00 C ATOM 1077 NH1 ARG A 73 -11.262 -10.980 2.712 1.00 0.00 N ATOM 1078 NH2 ARG A 73 -9.694 -10.460 1.119 1.00 0.00 N ATOM 0 H ARG A 73 -13.953 -5.816 -1.421 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.657 -6.637 0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.699 -7.235 0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.575 -7.495 1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.157 -8.998 0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.900 -8.946 -0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.416 -9.795 2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.775 -10.920 0.895 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.644 -9.596 -0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.232 -10.992 3.028 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.527 -11.359 3.309 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.455 -10.071 0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.962 -10.840 1.719 1.00 0.00 H new ATOM 1092 N GLU A 74 -13.377 -4.326 0.391 1.00 0.00 N ATOM 1093 CA GLU A 74 -12.891 -3.040 0.877 1.00 0.00 C ATOM 1094 C GLU A 74 -13.844 -1.915 0.484 1.00 0.00 C ATOM 1095 O GLU A 74 -14.451 -1.944 -0.587 1.00 0.00 O ATOM 1096 CB GLU A 74 -11.493 -2.756 0.323 1.00 0.00 C ATOM 1097 CG GLU A 74 -10.426 -3.699 0.852 1.00 0.00 C ATOM 1098 CD GLU A 74 -10.535 -5.092 0.262 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -11.044 -5.217 -0.872 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -10.111 -6.056 0.933 1.00 0.00 O ATOM 0 H GLU A 74 -12.997 -4.606 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.840 -3.087 1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.521 -2.826 -0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.215 -1.731 0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.441 -3.290 0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.506 -3.761 1.937 1.00 0.00 H new ATOM 1107 N THR A 75 -13.972 -0.922 1.360 1.00 0.00 N ATOM 1108 CA THR A 75 -14.851 0.212 1.107 1.00 0.00 C ATOM 1109 C THR A 75 -14.184 1.524 1.504 1.00 0.00 C ATOM 1110 O THR A 75 -13.744 1.687 2.643 1.00 0.00 O ATOM 1111 CB THR A 75 -16.181 0.073 1.872 1.00 0.00 C ATOM 1112 OG1 THR A 75 -16.876 -1.101 1.438 1.00 0.00 O ATOM 1113 CG2 THR A 75 -17.059 1.297 1.657 1.00 0.00 C ATOM 0 H THR A 75 -13.477 -0.881 2.251 1.00 0.00 H new ATOM 0 HA THR A 75 -15.055 0.221 0.036 1.00 0.00 H new ATOM 0 HB THR A 75 -15.956 -0.011 2.935 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.719 -1.183 1.930 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.993 1.176 2.207 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.539 2.185 2.016 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.275 1.408 0.594 1.00 0.00 H new ATOM 1121 N ILE A 76 -14.113 2.456 0.560 1.00 0.00 N ATOM 1122 CA ILE A 76 -13.501 3.754 0.813 1.00 0.00 C ATOM 1123 C ILE A 76 -14.372 4.602 1.733 1.00 0.00 C ATOM 1124 O ILE A 76 -15.512 4.244 2.030 1.00 0.00 O ATOM 1125 CB ILE A 76 -13.256 4.526 -0.497 1.00 0.00 C ATOM 1126 CG1 ILE A 76 -13.055 3.550 -1.659 1.00 0.00 C ATOM 1127 CG2 ILE A 76 -12.050 5.443 -0.354 1.00 0.00 C ATOM 1128 CD1 ILE A 76 -14.331 3.227 -2.404 1.00 0.00 C ATOM 0 H ILE A 76 -14.472 2.336 -0.387 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.543 3.562 1.297 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.131 5.140 -0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.333 3.973 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.624 2.625 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.890 5.982 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.229 6.157 0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.166 4.849 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -14.113 2.530 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.048 2.774 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.753 4.143 -2.817 1.00 0.00 H new ATOM 1140 N TYR A 77 -13.828 5.728 2.181 1.00 0.00 N ATOM 1141 CA TYR A 77 -14.555 6.628 3.069 1.00 0.00 C ATOM 1142 C TYR A 77 -14.352 8.083 2.655 1.00 0.00 C ATOM 1143 O TYR A 77 -13.416 8.425 1.933 1.00 0.00 O ATOM 1144 CB TYR A 77 -14.099 6.429 4.515 1.00 0.00 C ATOM 1145 CG TYR A 77 -14.865 5.352 5.249 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -14.750 4.017 4.881 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -15.704 5.669 6.310 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -15.449 3.029 5.548 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -16.406 4.687 6.984 1.00 0.00 C ATOM 1150 CZ TYR A 77 -16.275 3.369 6.598 1.00 0.00 C ATOM 1151 OH TYR A 77 -16.972 2.389 7.266 1.00 0.00 O ATOM 0 H TYR A 77 -12.886 6.039 1.944 1.00 0.00 H new ATOM 0 HA TYR A 77 -15.617 6.393 2.994 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -13.039 6.177 4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -14.206 7.371 5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -14.103 3.747 4.059 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.810 6.700 6.613 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.349 1.996 5.248 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -17.053 4.950 7.808 1.00 0.00 H new ATOM 0 HH TYR A 77 -17.506 2.796 7.979 1.00 0.00 H new ATOM 1161 N PRO A 78 -15.251 8.961 3.124 1.00 0.00 N ATOM 1162 CA PRO A 78 -15.193 10.393 2.818 1.00 0.00 C ATOM 1163 C PRO A 78 -14.017 11.084 3.499 1.00 0.00 C ATOM 1164 O PRO A 78 -13.848 12.298 3.387 1.00 0.00 O ATOM 1165 CB PRO A 78 -16.518 10.928 3.367 1.00 0.00 C ATOM 1166 CG PRO A 78 -16.899 9.966 4.440 1.00 0.00 C ATOM 1167 CD PRO A 78 -16.393 8.623 3.990 1.00 0.00 C ATOM 0 HA PRO A 78 -15.052 10.576 1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.404 11.937 3.762 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -17.279 10.975 2.588 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.456 10.250 5.394 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.979 9.948 4.583 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.088 8.005 4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -17.158 8.067 3.448 1.00 0.00 H new ATOM 1175 N ASN A 79 -13.206 10.303 4.206 1.00 0.00 N ATOM 1176 CA ASN A 79 -12.045 10.841 4.905 1.00 0.00 C ATOM 1177 C ASN A 79 -10.762 10.164 4.431 1.00 0.00 C ATOM 1178 O ASN A 79 -9.749 10.172 5.130 1.00 0.00 O ATOM 1179 CB ASN A 79 -12.203 10.657 6.416 1.00 0.00 C ATOM 1180 CG ASN A 79 -13.549 11.141 6.919 1.00 0.00 C ATOM 1181 OD1 ASN A 79 -13.714 12.314 7.255 1.00 0.00 O ATOM 1182 ND2 ASN A 79 -14.520 10.237 6.973 1.00 0.00 N ATOM 0 H ASN A 79 -13.332 9.296 4.310 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.978 11.905 4.680 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -12.082 9.603 6.666 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.409 11.199 6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.447 10.504 7.303 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.338 9.276 6.684 1.00 0.00 H new ATOM 1189 N ALA A 80 -10.814 9.580 3.239 1.00 0.00 N ATOM 1190 CA ALA A 80 -9.656 8.901 2.670 1.00 0.00 C ATOM 1191 C ALA A 80 -9.327 7.631 3.447 1.00 0.00 C ATOM 1192 O ALA A 80 -8.186 7.171 3.450 1.00 0.00 O ATOM 1193 CB ALA A 80 -8.455 9.835 2.648 1.00 0.00 C ATOM 0 H ALA A 80 -11.645 9.563 2.648 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.900 8.616 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.598 9.315 2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.687 10.711 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.219 10.149 3.665 1.00 0.00 H new ATOM 1199 N SER A 81 -10.335 7.069 4.107 1.00 0.00 N ATOM 1200 CA SER A 81 -10.152 5.855 4.893 1.00 0.00 C ATOM 1201 C SER A 81 -10.684 4.637 4.143 1.00 0.00 C ATOM 1202 O SER A 81 -11.561 4.756 3.286 1.00 0.00 O ATOM 1203 CB SER A 81 -10.858 5.984 6.244 1.00 0.00 C ATOM 1204 OG SER A 81 -10.667 7.275 6.797 1.00 0.00 O ATOM 0 H SER A 81 -11.287 7.435 4.113 1.00 0.00 H new ATOM 0 HA SER A 81 -9.084 5.719 5.061 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.924 5.791 6.121 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.475 5.230 6.932 1.00 0.00 H new ATOM 0 HG SER A 81 -11.254 7.388 7.574 1.00 0.00 H new ATOM 1210 N LEU A 82 -10.148 3.467 4.472 1.00 0.00 N ATOM 1211 CA LEU A 82 -10.569 2.226 3.831 1.00 0.00 C ATOM 1212 C LEU A 82 -10.943 1.175 4.871 1.00 0.00 C ATOM 1213 O LEU A 82 -10.132 0.813 5.724 1.00 0.00 O ATOM 1214 CB LEU A 82 -9.454 1.692 2.929 1.00 0.00 C ATOM 1215 CG LEU A 82 -9.841 0.552 1.987 1.00 0.00 C ATOM 1216 CD1 LEU A 82 -10.322 1.102 0.653 1.00 0.00 C ATOM 1217 CD2 LEU A 82 -8.667 -0.394 1.784 1.00 0.00 C ATOM 0 H LEU A 82 -9.421 3.351 5.178 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.449 2.440 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.072 2.518 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.634 1.352 3.561 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.658 -0.008 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.593 0.276 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.192 1.738 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.526 1.686 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.961 -1.199 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.829 0.153 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.368 -0.815 2.744 1.00 0.00 H new ATOM 1229 N LEU A 83 -12.177 0.688 4.794 1.00 0.00 N ATOM 1230 CA LEU A 83 -12.659 -0.324 5.728 1.00 0.00 C ATOM 1231 C LEU A 83 -12.497 -1.724 5.145 1.00 0.00 C ATOM 1232 O LEU A 83 -13.137 -2.073 4.153 1.00 0.00 O ATOM 1233 CB LEU A 83 -14.128 -0.070 6.072 1.00 0.00 C ATOM 1234 CG LEU A 83 -14.848 -1.196 6.814 1.00 0.00 C ATOM 1235 CD1 LEU A 83 -14.522 -1.150 8.299 1.00 0.00 C ATOM 1236 CD2 LEU A 83 -16.351 -1.104 6.594 1.00 0.00 C ATOM 0 H LEU A 83 -12.861 0.977 4.095 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.062 -0.258 6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.187 0.834 6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.668 0.131 5.147 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.500 -2.149 6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -15.043 -1.959 8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.447 -1.265 8.439 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.842 -0.193 8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.847 -1.913 7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.715 -0.146 6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.569 -1.187 5.529 1.00 0.00 H new ATOM 1248 N MET A 84 -11.638 -2.524 5.770 1.00 0.00 N ATOM 1249 CA MET A 84 -11.395 -3.888 5.315 1.00 0.00 C ATOM 1250 C MET A 84 -12.274 -4.878 6.071 1.00 0.00 C ATOM 1251 O MET A 84 -12.278 -4.905 7.302 1.00 0.00 O ATOM 1252 CB MET A 84 -9.920 -4.253 5.498 1.00 0.00 C ATOM 1253 CG MET A 84 -9.410 -5.252 4.471 1.00 0.00 C ATOM 1254 SD MET A 84 -7.653 -5.049 4.119 1.00 0.00 S ATOM 1255 CE MET A 84 -7.653 -3.454 3.305 1.00 0.00 C ATOM 0 H MET A 84 -11.099 -2.251 6.592 1.00 0.00 H new ATOM 0 HA MET A 84 -11.647 -3.942 4.256 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.319 -3.345 5.439 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.777 -4.666 6.497 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.589 -6.264 4.834 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.977 -5.139 3.547 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.206 -3.550 2.316 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.678 -3.096 3.206 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.076 -2.744 3.897 1.00 0.00 H new ATOM 1265 N ARG A 85 -13.018 -5.690 5.327 1.00 0.00 N ATOM 1266 CA ARG A 85 -13.902 -6.681 5.928 1.00 0.00 C ATOM 1267 C ARG A 85 -13.378 -8.094 5.689 1.00 0.00 C ATOM 1268 O ARG A 85 -12.755 -8.370 4.665 1.00 0.00 O ATOM 1269 CB ARG A 85 -15.316 -6.547 5.358 1.00 0.00 C ATOM 1270 CG ARG A 85 -15.944 -5.185 5.604 1.00 0.00 C ATOM 1271 CD ARG A 85 -17.393 -5.149 5.141 1.00 0.00 C ATOM 1272 NE ARG A 85 -17.816 -3.800 4.774 1.00 0.00 N ATOM 1273 CZ ARG A 85 -19.018 -3.515 4.286 1.00 0.00 C ATOM 1274 NH1 ARG A 85 -19.911 -4.478 4.109 1.00 0.00 N ATOM 1275 NH2 ARG A 85 -19.329 -2.263 3.976 1.00 0.00 N ATOM 0 H ARG A 85 -13.026 -5.681 4.307 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.932 -6.500 7.002 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.286 -6.735 4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.951 -7.316 5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.894 -4.946 6.666 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -15.373 -4.419 5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -17.517 -5.813 4.286 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -18.037 -5.528 5.935 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.152 -3.036 4.899 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -19.676 -5.441 4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -20.833 -4.256 3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.645 -1.519 4.112 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -20.252 -2.045 3.601 1.00 0.00 H new ATOM 1289 N ASN A 86 -13.635 -8.984 6.642 1.00 0.00 N ATOM 1290 CA ASN A 86 -13.188 -10.368 6.536 1.00 0.00 C ATOM 1291 C ASN A 86 -11.686 -10.436 6.274 1.00 0.00 C ATOM 1292 O ASN A 86 -11.238 -11.096 5.336 1.00 0.00 O ATOM 1293 CB ASN A 86 -13.945 -11.086 5.417 1.00 0.00 C ATOM 1294 CG ASN A 86 -15.265 -11.663 5.891 1.00 0.00 C ATOM 1295 OD1 ASN A 86 -15.497 -11.809 7.091 1.00 0.00 O ATOM 1296 ND2 ASN A 86 -16.139 -11.994 4.947 1.00 0.00 N ATOM 0 H ASN A 86 -14.150 -8.771 7.496 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.397 -10.865 7.484 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.129 -10.388 4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.324 -11.887 5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.044 -12.386 5.205 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.905 -11.856 3.964 1.00 0.00 H new ATOM 1303 N VAL A 87 -10.913 -9.750 7.110 1.00 0.00 N ATOM 1304 CA VAL A 87 -9.462 -9.733 6.970 1.00 0.00 C ATOM 1305 C VAL A 87 -8.887 -11.144 7.037 1.00 0.00 C ATOM 1306 O VAL A 87 -9.535 -12.068 7.531 1.00 0.00 O ATOM 1307 CB VAL A 87 -8.803 -8.870 8.062 1.00 0.00 C ATOM 1308 CG1 VAL A 87 -9.239 -7.418 7.930 1.00 0.00 C ATOM 1309 CG2 VAL A 87 -9.136 -9.412 9.443 1.00 0.00 C ATOM 0 H VAL A 87 -11.268 -9.199 7.891 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.243 -9.300 5.994 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.722 -8.913 7.932 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.764 -6.823 8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.944 -7.037 6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.322 -7.353 8.033 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.662 -8.790 10.202 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.216 -9.401 9.587 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.769 -10.435 9.531 1.00 0.00 H new ATOM 1319 N THR A 88 -7.666 -11.304 6.537 1.00 0.00 N ATOM 1320 CA THR A 88 -7.003 -12.602 6.539 1.00 0.00 C ATOM 1321 C THR A 88 -5.514 -12.459 6.833 1.00 0.00 C ATOM 1322 O THR A 88 -4.921 -11.410 6.582 1.00 0.00 O ATOM 1323 CB THR A 88 -7.182 -13.326 5.192 1.00 0.00 C ATOM 1324 OG1 THR A 88 -6.675 -12.513 4.127 1.00 0.00 O ATOM 1325 CG2 THR A 88 -8.647 -13.646 4.939 1.00 0.00 C ATOM 0 H THR A 88 -7.116 -10.550 6.125 1.00 0.00 H new ATOM 0 HA THR A 88 -7.470 -13.194 7.326 1.00 0.00 H new ATOM 0 HB THR A 88 -6.624 -14.262 5.232 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.227 -11.708 4.039 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.748 -14.157 3.982 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.022 -14.289 5.735 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.223 -12.721 4.919 1.00 0.00 H new ATOM 1333 N ARG A 89 -4.916 -13.519 7.365 1.00 0.00 N ATOM 1334 CA ARG A 89 -3.495 -13.511 7.693 1.00 0.00 C ATOM 1335 C ARG A 89 -2.669 -13.004 6.515 1.00 0.00 C ATOM 1336 O ARG A 89 -1.662 -12.322 6.699 1.00 0.00 O ATOM 1337 CB ARG A 89 -3.033 -14.915 8.088 1.00 0.00 C ATOM 1338 CG ARG A 89 -3.142 -15.931 6.963 1.00 0.00 C ATOM 1339 CD ARG A 89 -2.607 -17.290 7.386 1.00 0.00 C ATOM 1340 NE ARG A 89 -1.150 -17.350 7.319 1.00 0.00 N ATOM 1341 CZ ARG A 89 -0.436 -18.379 7.762 1.00 0.00 C ATOM 1342 NH1 ARG A 89 -1.042 -19.428 8.301 1.00 0.00 N ATOM 1343 NH2 ARG A 89 0.888 -18.360 7.665 1.00 0.00 N ATOM 0 H ARG A 89 -5.393 -14.395 7.578 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.346 -12.837 8.536 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.997 -14.866 8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.626 -15.259 8.935 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.184 -16.028 6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.588 -15.575 6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.932 -17.507 8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.031 -18.062 6.744 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.653 -16.559 6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.059 -19.446 8.376 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.491 -20.217 8.640 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.357 -17.555 7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.436 -19.150 8.005 1.00 0.00 H new ATOM 1357 N ASN A 90 -3.101 -13.343 5.305 1.00 0.00 N ATOM 1358 CA ASN A 90 -2.400 -12.923 4.097 1.00 0.00 C ATOM 1359 C ASN A 90 -2.470 -11.409 3.927 1.00 0.00 C ATOM 1360 O ASN A 90 -1.468 -10.762 3.618 1.00 0.00 O ATOM 1361 CB ASN A 90 -2.998 -13.614 2.870 1.00 0.00 C ATOM 1362 CG ASN A 90 -2.843 -15.121 2.922 1.00 0.00 C ATOM 1363 OD1 ASN A 90 -1.779 -15.658 2.614 1.00 0.00 O ATOM 1364 ND2 ASN A 90 -3.908 -15.812 3.312 1.00 0.00 N ATOM 0 H ASN A 90 -3.933 -13.907 5.135 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.353 -13.212 4.194 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.056 -13.363 2.795 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.515 -13.233 1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.864 -16.830 3.366 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.770 -15.325 3.558 1.00 0.00 H new ATOM 1371 N ASP A 91 -3.657 -10.850 4.130 1.00 0.00 N ATOM 1372 CA ASP A 91 -3.858 -9.411 4.001 1.00 0.00 C ATOM 1373 C ASP A 91 -2.728 -8.642 4.679 1.00 0.00 C ATOM 1374 O ASP A 91 -2.220 -7.658 4.140 1.00 0.00 O ATOM 1375 CB ASP A 91 -5.203 -9.006 4.606 1.00 0.00 C ATOM 1376 CG ASP A 91 -6.379 -9.527 3.803 1.00 0.00 C ATOM 1377 OD1 ASP A 91 -6.342 -9.421 2.560 1.00 0.00 O ATOM 1378 OD2 ASP A 91 -7.337 -10.039 4.419 1.00 0.00 O ATOM 0 H ASP A 91 -4.496 -11.371 4.385 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.857 -9.162 2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.268 -9.384 5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.259 -7.919 4.664 1.00 0.00 H new ATOM 1383 N THR A 92 -2.340 -9.096 5.867 1.00 0.00 N ATOM 1384 CA THR A 92 -1.273 -8.450 6.620 1.00 0.00 C ATOM 1385 C THR A 92 -0.062 -8.178 5.735 1.00 0.00 C ATOM 1386 O THR A 92 0.505 -9.095 5.142 1.00 0.00 O ATOM 1387 CB THR A 92 -0.834 -9.309 7.821 1.00 0.00 C ATOM 1388 OG1 THR A 92 -1.984 -9.792 8.525 1.00 0.00 O ATOM 1389 CG2 THR A 92 0.046 -8.507 8.768 1.00 0.00 C ATOM 0 H THR A 92 -2.749 -9.909 6.328 1.00 0.00 H new ATOM 0 HA THR A 92 -1.672 -7.504 6.985 1.00 0.00 H new ATOM 0 HB THR A 92 -0.258 -10.154 7.443 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.234 -10.674 8.177 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.343 -9.135 9.608 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.935 -8.166 8.238 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.509 -7.645 9.138 1.00 0.00 H new ATOM 1397 N GLY A 93 0.331 -6.910 5.651 1.00 0.00 N ATOM 1398 CA GLY A 93 1.474 -6.540 4.836 1.00 0.00 C ATOM 1399 C GLY A 93 1.683 -5.040 4.778 1.00 0.00 C ATOM 1400 O GLY A 93 2.302 -4.458 5.669 1.00 0.00 O ATOM 0 H GLY A 93 -0.122 -6.133 6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.370 -7.013 5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.335 -6.924 3.825 1.00 0.00 H new ATOM 1404 N SER A 94 1.166 -4.412 3.727 1.00 0.00 N ATOM 1405 CA SER A 94 1.304 -2.971 3.553 1.00 0.00 C ATOM 1406 C SER A 94 0.286 -2.445 2.546 1.00 0.00 C ATOM 1407 O SER A 94 0.009 -3.088 1.533 1.00 0.00 O ATOM 1408 CB SER A 94 2.721 -2.625 3.091 1.00 0.00 C ATOM 1409 OG SER A 94 3.689 -3.118 4.001 1.00 0.00 O ATOM 0 H SER A 94 0.648 -4.879 2.983 1.00 0.00 H new ATOM 0 HA SER A 94 1.117 -2.494 4.515 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.898 -3.048 2.102 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.823 -1.544 2.998 1.00 0.00 H new ATOM 0 HG SER A 94 3.256 -3.339 4.852 1.00 0.00 H new ATOM 1415 N TYR A 95 -0.269 -1.273 2.833 1.00 0.00 N ATOM 1416 CA TYR A 95 -1.259 -0.660 1.955 1.00 0.00 C ATOM 1417 C TYR A 95 -0.981 0.829 1.775 1.00 0.00 C ATOM 1418 O TYR A 95 -1.077 1.610 2.723 1.00 0.00 O ATOM 1419 CB TYR A 95 -2.666 -0.864 2.518 1.00 0.00 C ATOM 1420 CG TYR A 95 -3.082 -2.315 2.598 1.00 0.00 C ATOM 1421 CD1 TYR A 95 -2.577 -3.149 3.588 1.00 0.00 C ATOM 1422 CD2 TYR A 95 -3.982 -2.851 1.685 1.00 0.00 C ATOM 1423 CE1 TYR A 95 -2.954 -4.476 3.664 1.00 0.00 C ATOM 1424 CE2 TYR A 95 -4.366 -4.177 1.755 1.00 0.00 C ATOM 1425 CZ TYR A 95 -3.849 -4.985 2.746 1.00 0.00 C ATOM 1426 OH TYR A 95 -4.228 -6.306 2.819 1.00 0.00 O ATOM 0 H TYR A 95 -0.050 -0.728 3.667 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.191 -1.143 0.980 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.717 -0.425 3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.379 -0.324 1.895 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.878 -2.753 4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.388 -2.221 0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.550 -5.112 4.438 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.067 -4.578 1.038 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.469 -6.848 3.121 1.00 0.00 H new ATOM 1436 N THR A 96 -0.635 1.217 0.552 1.00 0.00 N ATOM 1437 CA THR A 96 -0.343 2.612 0.246 1.00 0.00 C ATOM 1438 C THR A 96 -1.604 3.360 -0.169 1.00 0.00 C ATOM 1439 O THR A 96 -2.377 2.882 -1.001 1.00 0.00 O ATOM 1440 CB THR A 96 0.705 2.733 -0.877 1.00 0.00 C ATOM 1441 OG1 THR A 96 1.864 1.957 -0.551 1.00 0.00 O ATOM 1442 CG2 THR A 96 1.104 4.185 -1.091 1.00 0.00 C ATOM 0 H THR A 96 -0.550 0.584 -0.244 1.00 0.00 H new ATOM 0 HA THR A 96 0.057 3.058 1.157 1.00 0.00 H new ATOM 0 HB THR A 96 0.263 2.355 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.613 2.556 -0.350 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.845 4.245 -1.888 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.225 4.767 -1.368 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.529 4.585 -0.170 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.807 4.536 0.415 1.00 0.00 N ATOM 1451 CA LEU A 97 -2.976 5.352 0.105 1.00 0.00 C ATOM 1452 C LEU A 97 -2.560 6.716 -0.437 1.00 0.00 C ATOM 1453 O LEU A 97 -1.998 7.536 0.288 1.00 0.00 O ATOM 1454 CB LEU A 97 -3.844 5.529 1.353 1.00 0.00 C ATOM 1455 CG LEU A 97 -5.032 6.482 1.214 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -4.603 7.914 1.488 1.00 0.00 C ATOM 1457 CD2 LEU A 97 -5.651 6.364 -0.172 1.00 0.00 C ATOM 0 H LEU A 97 -1.178 4.946 1.105 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.554 4.838 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.221 4.551 1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.210 5.886 2.165 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.785 6.203 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.462 8.577 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.208 7.988 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.831 8.205 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.495 7.049 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.905 6.616 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.997 5.342 -0.330 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.842 6.950 -1.714 1.00 0.00 N ATOM 1470 CA GLN A 98 -2.498 8.215 -2.352 1.00 0.00 C ATOM 1471 C GLN A 98 -3.722 9.118 -2.466 1.00 0.00 C ATOM 1472 O GLN A 98 -4.802 8.671 -2.852 1.00 0.00 O ATOM 1473 CB GLN A 98 -1.903 7.966 -3.739 1.00 0.00 C ATOM 1474 CG GLN A 98 -1.694 9.236 -4.548 1.00 0.00 C ATOM 1475 CD GLN A 98 -0.775 9.026 -5.736 1.00 0.00 C ATOM 1476 OE1 GLN A 98 0.428 9.274 -5.657 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -1.339 8.565 -6.847 1.00 0.00 N ATOM 0 H GLN A 98 -3.307 6.281 -2.327 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.756 8.716 -1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.947 7.454 -3.629 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.561 7.296 -4.293 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.659 9.601 -4.900 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.277 10.009 -3.903 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.340 8.373 -6.869 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.771 8.403 -7.678 1.00 0.00 H new ATOM 1486 N VAL A 99 -3.546 10.391 -2.127 1.00 0.00 N ATOM 1487 CA VAL A 99 -4.636 11.357 -2.191 1.00 0.00 C ATOM 1488 C VAL A 99 -4.301 12.500 -3.144 1.00 0.00 C ATOM 1489 O VAL A 99 -3.261 13.146 -3.013 1.00 0.00 O ATOM 1490 CB VAL A 99 -4.954 11.939 -0.801 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -6.130 12.900 -0.880 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -5.234 10.821 0.192 1.00 0.00 C ATOM 0 H VAL A 99 -2.659 10.777 -1.805 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.511 10.823 -2.561 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.085 12.496 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.340 13.301 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.887 13.718 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.008 12.371 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.457 11.250 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.087 10.235 -0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.359 10.176 0.270 1.00 0.00 H new ATOM 1502 N ILE A 100 -5.190 12.744 -4.101 1.00 0.00 N ATOM 1503 CA ILE A 100 -4.990 13.811 -5.074 1.00 0.00 C ATOM 1504 C ILE A 100 -5.569 15.129 -4.573 1.00 0.00 C ATOM 1505 O ILE A 100 -6.607 15.153 -3.911 1.00 0.00 O ATOM 1506 CB ILE A 100 -5.633 13.463 -6.430 1.00 0.00 C ATOM 1507 CG1 ILE A 100 -4.872 12.318 -7.102 1.00 0.00 C ATOM 1508 CG2 ILE A 100 -5.662 14.688 -7.332 1.00 0.00 C ATOM 1509 CD1 ILE A 100 -5.323 10.947 -6.651 1.00 0.00 C ATOM 0 H ILE A 100 -6.055 12.218 -4.223 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.914 13.918 -5.208 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.659 13.139 -6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.995 12.395 -8.182 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.808 12.428 -6.894 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.119 14.426 -8.286 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.244 15.477 -6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.644 15.039 -7.501 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.741 10.184 -7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.174 10.850 -5.576 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.380 10.817 -6.884 1.00 0.00 H new ATOM 1521 N LYS A 101 -4.892 16.226 -4.893 1.00 0.00 N ATOM 1522 CA LYS A 101 -5.339 17.551 -4.479 1.00 0.00 C ATOM 1523 C LYS A 101 -5.838 18.355 -5.674 1.00 0.00 C ATOM 1524 O LYS A 101 -5.303 18.244 -6.778 1.00 0.00 O ATOM 1525 CB LYS A 101 -4.201 18.302 -3.784 1.00 0.00 C ATOM 1526 CG LYS A 101 -3.983 17.878 -2.342 1.00 0.00 C ATOM 1527 CD LYS A 101 -2.512 17.919 -1.964 1.00 0.00 C ATOM 1528 CE LYS A 101 -1.735 16.793 -2.629 1.00 0.00 C ATOM 1529 NZ LYS A 101 -0.265 17.026 -2.575 1.00 0.00 N ATOM 0 H LYS A 101 -4.030 16.224 -5.439 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.164 17.426 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.279 18.145 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.412 19.371 -3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.548 18.534 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.369 16.869 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.086 18.879 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.411 17.843 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.971 15.849 -2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.050 16.699 -3.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.227 16.117 -2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.047 17.480 -3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.041 17.644 -1.769 1.00 0.00 H new ATOM 1543 N LEU A 102 -6.865 19.167 -5.448 1.00 0.00 N ATOM 1544 CA LEU A 102 -7.435 19.993 -6.507 1.00 0.00 C ATOM 1545 C LEU A 102 -6.346 20.773 -7.235 1.00 0.00 C ATOM 1546 O LEU A 102 -6.554 21.258 -8.347 1.00 0.00 O ATOM 1547 CB LEU A 102 -8.469 20.959 -5.926 1.00 0.00 C ATOM 1548 CG LEU A 102 -9.857 20.375 -5.657 1.00 0.00 C ATOM 1549 CD1 LEU A 102 -10.750 20.538 -6.877 1.00 0.00 C ATOM 1550 CD2 LEU A 102 -9.751 18.909 -5.263 1.00 0.00 C ATOM 0 H LEU A 102 -7.320 19.271 -4.541 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.925 19.334 -7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.078 21.359 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.577 21.799 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.306 20.922 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.733 20.117 -6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.852 21.597 -7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.306 20.017 -7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.748 18.510 -5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.282 18.348 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.148 18.818 -4.360 1.00 0.00 H new ATOM 1562 N ASN A 103 -5.183 20.889 -6.602 1.00 0.00 N ATOM 1563 CA ASN A 103 -4.060 21.609 -7.190 1.00 0.00 C ATOM 1564 C ASN A 103 -3.228 20.688 -8.078 1.00 0.00 C ATOM 1565 O ASN A 103 -2.017 20.864 -8.212 1.00 0.00 O ATOM 1566 CB ASN A 103 -3.180 22.209 -6.092 1.00 0.00 C ATOM 1567 CG ASN A 103 -3.287 21.447 -4.785 1.00 0.00 C ATOM 1568 OD1 ASN A 103 -4.205 21.670 -3.997 1.00 0.00 O ATOM 1569 ND2 ASN A 103 -2.344 20.541 -4.550 1.00 0.00 N ATOM 0 H ASN A 103 -4.994 20.493 -5.681 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.460 22.414 -7.806 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.142 22.212 -6.424 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.466 23.248 -5.928 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.363 19.997 -3.687 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -1.601 20.389 -5.232 1.00 0.00 H new ATOM 1576 N LEU A 104 -3.887 19.706 -8.683 1.00 0.00 N ATOM 1577 CA LEU A 104 -3.209 18.756 -9.559 1.00 0.00 C ATOM 1578 C LEU A 104 -1.989 18.154 -8.870 1.00 0.00 C ATOM 1579 O LEU A 104 -0.895 18.132 -9.432 1.00 0.00 O ATOM 1580 CB LEU A 104 -2.788 19.443 -10.859 1.00 0.00 C ATOM 1581 CG LEU A 104 -3.912 20.078 -11.678 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -3.349 20.779 -12.905 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -4.935 19.028 -12.085 1.00 0.00 C ATOM 0 H LEU A 104 -4.890 19.547 -8.583 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.906 17.951 -9.790 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.060 20.217 -10.618 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.279 18.710 -11.485 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.411 20.822 -11.057 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.164 21.225 -13.475 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.656 21.560 -12.592 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.823 20.056 -13.528 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.727 19.498 -12.667 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.449 18.261 -12.687 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.363 18.572 -11.192 1.00 0.00 H new ATOM 1595 N MET A 105 -2.186 17.666 -7.650 1.00 0.00 N ATOM 1596 CA MET A 105 -1.102 17.061 -6.885 1.00 0.00 C ATOM 1597 C MET A 105 -1.553 15.750 -6.247 1.00 0.00 C ATOM 1598 O MET A 105 -2.723 15.378 -6.332 1.00 0.00 O ATOM 1599 CB MET A 105 -0.611 18.025 -5.804 1.00 0.00 C ATOM 1600 CG MET A 105 0.239 19.163 -6.346 1.00 0.00 C ATOM 1601 SD MET A 105 1.486 19.720 -5.169 1.00 0.00 S ATOM 1602 CE MET A 105 0.471 20.051 -3.730 1.00 0.00 C ATOM 0 H MET A 105 -3.086 17.678 -7.170 1.00 0.00 H new ATOM 0 HA MET A 105 -0.282 16.848 -7.571 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.472 18.442 -5.282 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.031 17.468 -5.068 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.730 18.839 -7.264 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.407 20.001 -6.609 1.00 0.00 H new ATOM 0 HE1 MET A 105 1.066 19.917 -2.827 1.00 0.00 H new ATOM 0 HE2 MET A 105 0.102 21.076 -3.773 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.373 19.362 -3.714 1.00 0.00 H new ATOM 1612 N SER A 106 -0.616 15.055 -5.608 1.00 0.00 N ATOM 1613 CA SER A 106 -0.917 13.785 -4.960 1.00 0.00 C ATOM 1614 C SER A 106 -0.042 13.584 -3.726 1.00 0.00 C ATOM 1615 O SER A 106 1.094 14.054 -3.675 1.00 0.00 O ATOM 1616 CB SER A 106 -0.711 12.627 -5.938 1.00 0.00 C ATOM 1617 OG SER A 106 0.606 12.631 -6.463 1.00 0.00 O ATOM 0 H SER A 106 0.357 15.351 -5.526 1.00 0.00 H new ATOM 0 HA SER A 106 -1.961 13.805 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.901 11.681 -5.431 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.431 12.703 -6.753 1.00 0.00 H new ATOM 0 HG SER A 106 0.713 11.880 -7.084 1.00 0.00 H new ATOM 1623 N GLU A 107 -0.582 12.883 -2.733 1.00 0.00 N ATOM 1624 CA GLU A 107 0.149 12.621 -1.499 1.00 0.00 C ATOM 1625 C GLU A 107 0.453 11.133 -1.352 1.00 0.00 C ATOM 1626 O GLU A 107 0.121 10.332 -2.226 1.00 0.00 O ATOM 1627 CB GLU A 107 -0.653 13.111 -0.292 1.00 0.00 C ATOM 1628 CG GLU A 107 -0.364 14.554 0.086 1.00 0.00 C ATOM 1629 CD GLU A 107 0.903 14.700 0.907 1.00 0.00 C ATOM 1630 OE1 GLU A 107 1.950 14.168 0.483 1.00 0.00 O ATOM 1631 OE2 GLU A 107 0.847 15.347 1.973 1.00 0.00 O ATOM 0 H GLU A 107 -1.522 12.487 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 107 1.093 13.164 -1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.717 13.007 -0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.436 12.470 0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.276 15.152 -0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.206 14.953 0.651 1.00 0.00 H new ATOM 1638 N GLU A 108 1.086 10.771 -0.240 1.00 0.00 N ATOM 1639 CA GLU A 108 1.436 9.380 0.021 1.00 0.00 C ATOM 1640 C GLU A 108 1.425 9.088 1.518 1.00 0.00 C ATOM 1641 O GLU A 108 1.907 9.886 2.321 1.00 0.00 O ATOM 1642 CB GLU A 108 2.813 9.059 -0.563 1.00 0.00 C ATOM 1643 CG GLU A 108 2.802 8.845 -2.067 1.00 0.00 C ATOM 1644 CD GLU A 108 3.057 10.125 -2.840 1.00 0.00 C ATOM 1645 OE1 GLU A 108 4.188 10.648 -2.766 1.00 0.00 O ATOM 1646 OE2 GLU A 108 2.124 10.604 -3.518 1.00 0.00 O ATOM 0 H GLU A 108 1.367 11.422 0.494 1.00 0.00 H new ATOM 0 HA GLU A 108 0.690 8.748 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.498 9.873 -0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.203 8.163 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.561 8.108 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.838 8.431 -2.364 1.00 0.00 H new ATOM 1653 N VAL A 109 0.870 7.937 1.887 1.00 0.00 N ATOM 1654 CA VAL A 109 0.797 7.538 3.287 1.00 0.00 C ATOM 1655 C VAL A 109 0.624 6.029 3.420 1.00 0.00 C ATOM 1656 O VAL A 109 -0.398 5.471 3.019 1.00 0.00 O ATOM 1657 CB VAL A 109 -0.367 8.242 4.011 1.00 0.00 C ATOM 1658 CG1 VAL A 109 -1.657 8.093 3.220 1.00 0.00 C ATOM 1659 CG2 VAL A 109 -0.529 7.692 5.420 1.00 0.00 C ATOM 0 H VAL A 109 0.465 7.265 1.235 1.00 0.00 H new ATOM 0 HA VAL A 109 1.738 7.836 3.750 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.136 9.305 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.467 8.597 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.533 8.540 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.897 7.035 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.355 8.201 5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.737 6.623 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.390 7.858 5.983 1.00 0.00 H new ATOM 1669 N THR A 110 1.631 5.372 3.988 1.00 0.00 N ATOM 1670 CA THR A 110 1.592 3.927 4.174 1.00 0.00 C ATOM 1671 C THR A 110 0.778 3.553 5.407 1.00 0.00 C ATOM 1672 O THR A 110 1.240 3.704 6.537 1.00 0.00 O ATOM 1673 CB THR A 110 3.009 3.340 4.311 1.00 0.00 C ATOM 1674 OG1 THR A 110 3.950 4.161 3.611 1.00 0.00 O ATOM 1675 CG2 THR A 110 3.063 1.921 3.765 1.00 0.00 C ATOM 0 H THR A 110 2.483 5.818 4.327 1.00 0.00 H new ATOM 0 HA THR A 110 1.117 3.507 3.287 1.00 0.00 H new ATOM 0 HB THR A 110 3.266 3.315 5.370 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.849 3.781 3.705 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.074 1.528 3.873 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.368 1.291 4.320 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.786 1.926 2.711 1.00 0.00 H new ATOM 1683 N GLY A 111 -0.437 3.063 5.182 1.00 0.00 N ATOM 1684 CA GLY A 111 -1.296 2.674 6.286 1.00 0.00 C ATOM 1685 C GLY A 111 -1.781 1.243 6.167 1.00 0.00 C ATOM 1686 O GLY A 111 -2.565 0.919 5.275 1.00 0.00 O ATOM 0 H GLY A 111 -0.842 2.928 4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.754 2.794 7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.155 3.343 6.327 1.00 0.00 H new ATOM 1690 N GLN A 112 -1.313 0.385 7.067 1.00 0.00 N ATOM 1691 CA GLN A 112 -1.703 -1.020 7.057 1.00 0.00 C ATOM 1692 C GLN A 112 -1.979 -1.519 8.472 1.00 0.00 C ATOM 1693 O GLN A 112 -1.890 -0.760 9.437 1.00 0.00 O ATOM 1694 CB GLN A 112 -0.609 -1.870 6.409 1.00 0.00 C ATOM 1695 CG GLN A 112 0.688 -1.899 7.201 1.00 0.00 C ATOM 1696 CD GLN A 112 1.605 -0.740 6.864 1.00 0.00 C ATOM 1697 OE1 GLN A 112 1.606 -0.242 5.737 1.00 0.00 O ATOM 1698 NE2 GLN A 112 2.391 -0.303 7.840 1.00 0.00 N ATOM 0 H GLN A 112 -0.664 0.638 7.812 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.619 -1.112 6.474 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.975 -2.890 6.290 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.406 -1.486 5.409 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.459 -1.878 8.266 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.208 -2.837 7.005 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.357 -0.745 8.759 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.029 0.475 7.672 1.00 0.00 H new ATOM 1707 N PHE A 113 -2.315 -2.799 8.587 1.00 0.00 N ATOM 1708 CA PHE A 113 -2.606 -3.399 9.884 1.00 0.00 C ATOM 1709 C PHE A 113 -2.055 -4.820 9.962 1.00 0.00 C ATOM 1710 O PHE A 113 -1.474 -5.325 9.002 1.00 0.00 O ATOM 1711 CB PHE A 113 -4.115 -3.411 10.137 1.00 0.00 C ATOM 1712 CG PHE A 113 -4.892 -4.162 9.094 1.00 0.00 C ATOM 1713 CD1 PHE A 113 -5.210 -3.565 7.885 1.00 0.00 C ATOM 1714 CD2 PHE A 113 -5.305 -5.464 9.322 1.00 0.00 C ATOM 1715 CE1 PHE A 113 -5.925 -4.253 6.922 1.00 0.00 C ATOM 1716 CE2 PHE A 113 -6.020 -6.158 8.363 1.00 0.00 C ATOM 1717 CZ PHE A 113 -6.331 -5.551 7.162 1.00 0.00 C ATOM 0 H PHE A 113 -2.393 -3.441 7.798 1.00 0.00 H new ATOM 0 HA PHE A 113 -2.120 -2.797 10.652 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.308 -3.856 11.113 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.477 -2.384 10.178 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.896 -2.550 7.692 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.066 -5.943 10.260 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.166 -3.776 5.983 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.335 -7.173 8.553 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.891 -6.090 6.412 1.00 0.00 H new ATOM 1727 N SER A 114 -2.241 -5.458 11.114 1.00 0.00 N ATOM 1728 CA SER A 114 -1.758 -6.818 11.320 1.00 0.00 C ATOM 1729 C SER A 114 -2.889 -7.730 11.787 1.00 0.00 C ATOM 1730 O SER A 114 -3.683 -7.360 12.652 1.00 0.00 O ATOM 1731 CB SER A 114 -0.622 -6.829 12.344 1.00 0.00 C ATOM 1732 OG SER A 114 0.585 -6.356 11.772 1.00 0.00 O ATOM 0 H SER A 114 -2.722 -5.055 11.918 1.00 0.00 H new ATOM 0 HA SER A 114 -1.382 -7.192 10.368 1.00 0.00 H new ATOM 0 HB2 SER A 114 -0.892 -6.207 13.198 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.477 -7.842 12.720 1.00 0.00 H new ATOM 0 HG SER A 114 1.295 -6.371 12.447 1.00 0.00 H new ATOM 1738 N VAL A 115 -2.954 -8.925 11.209 1.00 0.00 N ATOM 1739 CA VAL A 115 -3.985 -9.892 11.565 1.00 0.00 C ATOM 1740 C VAL A 115 -3.390 -11.081 12.311 1.00 0.00 C ATOM 1741 O VAL A 115 -2.271 -11.509 12.026 1.00 0.00 O ATOM 1742 CB VAL A 115 -4.731 -10.403 10.318 1.00 0.00 C ATOM 1743 CG1 VAL A 115 -5.840 -11.365 10.716 1.00 0.00 C ATOM 1744 CG2 VAL A 115 -5.287 -9.237 9.515 1.00 0.00 C ATOM 0 H VAL A 115 -2.304 -9.247 10.492 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.691 -9.376 12.215 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.024 -10.943 9.688 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.356 -11.715 9.822 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.411 -12.216 11.245 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.549 -10.854 11.367 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.811 -9.616 8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.980 -8.667 10.133 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.469 -8.591 9.198 1.00 0.00 H new ATOM 1754 N HIS A 116 -4.146 -11.611 13.268 1.00 0.00 N ATOM 1755 CA HIS A 116 -3.693 -12.752 14.055 1.00 0.00 C ATOM 1756 C HIS A 116 -4.768 -13.834 14.112 1.00 0.00 C ATOM 1757 O HIS A 116 -5.922 -13.578 14.456 1.00 0.00 O ATOM 1758 CB HIS A 116 -3.325 -12.308 15.471 1.00 0.00 C ATOM 1759 CG HIS A 116 -4.308 -11.353 16.074 1.00 0.00 C ATOM 1760 ND1 HIS A 116 -5.356 -11.756 16.874 1.00 0.00 N ATOM 1761 CD2 HIS A 116 -4.397 -10.005 15.991 1.00 0.00 C ATOM 1762 CE1 HIS A 116 -6.048 -10.698 17.256 1.00 0.00 C ATOM 1763 NE2 HIS A 116 -5.487 -9.622 16.734 1.00 0.00 N ATOM 0 H HIS A 116 -5.074 -11.269 13.517 1.00 0.00 H new ATOM 0 HA HIS A 116 -2.809 -13.168 13.571 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -3.247 -13.188 16.110 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -2.341 -11.840 15.452 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -3.734 -9.352 15.443 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -6.924 -10.710 17.888 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -5.810 -8.663 16.862 1.00 0.00 H new ATOM 1772 N PRO A 117 -4.382 -15.071 13.765 1.00 0.00 N ATOM 1773 CA PRO A 117 -5.298 -16.215 13.768 1.00 0.00 C ATOM 1774 C PRO A 117 -5.702 -16.631 15.179 1.00 0.00 C ATOM 1775 O PRO A 117 -4.924 -17.255 15.898 1.00 0.00 O ATOM 1776 CB PRO A 117 -4.483 -17.324 13.097 1.00 0.00 C ATOM 1777 CG PRO A 117 -3.062 -16.951 13.343 1.00 0.00 C ATOM 1778 CD PRO A 117 -3.023 -15.447 13.344 1.00 0.00 C ATOM 0 HA PRO A 117 -6.235 -15.988 13.259 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.716 -18.300 13.523 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -4.698 -17.383 12.030 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -2.713 -17.351 14.295 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -2.412 -17.358 12.568 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -2.269 -15.065 14.032 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -2.784 -15.051 12.357 1.00 0.00 H new