USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 LYS NZ :NH3+ -166:sc= 0.191 (180deg=0) USER MOD Set 1.2: A 56 THR OG1 : rot 81:sc= 1.47 USER MOD Single : A 24 THR OG1 : rot 22:sc= 0.167 USER MOD Single : A 33 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.43) USER MOD Single : A 34 HIS : no HD1:sc= -0.499 K(o=-0.5,f=-2.3!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -0.0466 (180deg=-0.427) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.594 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 57 GLN : amide:sc= -0.0334 X(o=-0.033,f=-0.033) USER MOD Single : A 58 SER OG : rot -37:sc= 0.225 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 63 SER OG : rot 180:sc= 0.184 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.87!) USER MOD Single : A 82 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.1) USER MOD Single : A 86 THR OG1 : rot 68:sc= -0.0197 USER MOD Single : A 89 SER OG : rot -97:sc= 0.363 USER MOD Single : A 90 MET CE :methyl -129:sc= -1.87 (180deg=-2.7) USER MOD Single : A 91 HIS : no HD1:sc= -0.204 X(o=-0.2,f=0.033) USER MOD Single : A 94 CYS SG : rot 11:sc= -0.725 USER MOD Single : A 97 GLN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.26 USER MOD Single : A 103 GLN : amide:sc= -0.39 X(o=-0.39,f=0) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 2.534 -9.547 0.755 1.00 0.00 N ATOM 55 CA THR A 24 2.297 -10.867 1.355 1.00 0.00 C ATOM 56 C THR A 24 2.063 -11.914 0.245 1.00 0.00 C ATOM 57 O THR A 24 1.039 -11.880 -0.444 1.00 0.00 O ATOM 58 CB THR A 24 1.070 -10.834 2.328 1.00 0.00 C ATOM 59 OG1 THR A 24 1.223 -9.750 3.258 1.00 0.00 O ATOM 60 CG2 THR A 24 0.909 -12.164 3.106 1.00 0.00 C ATOM 0 HA THR A 24 3.180 -11.142 1.932 1.00 0.00 H new ATOM 0 HB THR A 24 0.173 -10.691 1.725 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.834 -9.081 2.883 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.046 -12.096 3.768 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.762 -12.982 2.401 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.806 -12.351 3.697 1.00 0.00 H new ATOM 68 N LEU A 25 3.048 -12.807 0.068 1.00 0.00 N ATOM 69 CA LEU A 25 3.008 -13.884 -0.930 1.00 0.00 C ATOM 70 C LEU A 25 2.442 -15.156 -0.292 1.00 0.00 C ATOM 71 O LEU A 25 3.107 -15.808 0.519 1.00 0.00 O ATOM 72 CB LEU A 25 4.425 -14.124 -1.509 1.00 0.00 C ATOM 73 CG LEU A 25 5.050 -12.911 -2.277 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.456 -13.253 -2.822 1.00 0.00 C ATOM 75 CD2 LEU A 25 4.108 -12.403 -3.404 1.00 0.00 C ATOM 0 H LEU A 25 3.905 -12.801 0.621 1.00 0.00 H new ATOM 0 HA LEU A 25 2.355 -13.596 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.092 -14.397 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.383 -14.978 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 25 5.167 -12.096 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.862 -12.390 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.114 -13.514 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.385 -14.097 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.574 -11.561 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.928 -13.207 -4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.160 -12.084 -2.970 1.00 0.00 H new ATOM 87 N VAL A 26 1.195 -15.466 -0.643 1.00 0.00 N ATOM 88 CA VAL A 26 0.449 -16.609 -0.117 1.00 0.00 C ATOM 89 C VAL A 26 0.629 -17.795 -1.073 1.00 0.00 C ATOM 90 O VAL A 26 0.392 -17.653 -2.272 1.00 0.00 O ATOM 91 CB VAL A 26 -1.081 -16.249 0.009 1.00 0.00 C ATOM 92 CG1 VAL A 26 -1.900 -17.394 0.656 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.293 -14.900 0.751 1.00 0.00 C ATOM 0 H VAL A 26 0.662 -14.916 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 26 0.825 -16.868 0.873 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.461 -16.125 -1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.948 -17.100 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.813 -18.293 0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.516 -17.596 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.360 -14.686 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.872 -14.967 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.796 -14.100 0.201 1.00 0.00 H new ATOM 103 N ARG A 27 1.071 -18.946 -0.544 1.00 0.00 N ATOM 104 CA ARG A 27 1.265 -20.178 -1.341 1.00 0.00 C ATOM 105 C ARG A 27 0.011 -21.067 -1.286 1.00 0.00 C ATOM 106 O ARG A 27 -0.914 -20.816 -0.501 1.00 0.00 O ATOM 107 CB ARG A 27 2.519 -20.954 -0.839 1.00 0.00 C ATOM 108 CG ARG A 27 3.842 -20.189 -1.046 1.00 0.00 C ATOM 109 CD ARG A 27 5.050 -20.883 -0.392 1.00 0.00 C ATOM 110 NE ARG A 27 6.304 -20.173 -0.694 1.00 0.00 N ATOM 111 CZ ARG A 27 7.319 -19.941 0.154 1.00 0.00 C ATOM 112 NH1 ARG A 27 7.249 -20.289 1.433 1.00 0.00 N ATOM 113 NH2 ARG A 27 8.405 -19.334 -0.290 1.00 0.00 N ATOM 0 H ARG A 27 1.304 -19.054 0.443 1.00 0.00 H new ATOM 0 HA ARG A 27 1.429 -19.895 -2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.399 -21.175 0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.577 -21.910 -1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.028 -20.080 -2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.742 -19.184 -0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.906 -20.927 0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.117 -21.911 -0.747 1.00 0.00 H new ATOM 0 HE ARG A 27 6.413 -19.821 -1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.410 -20.744 1.793 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.034 -20.101 2.056 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.466 -19.047 -1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.183 -19.152 0.344 1.00 0.00 H new ATOM 127 N ILE A 28 0.012 -22.106 -2.140 1.00 0.00 N ATOM 128 CA ILE A 28 -1.085 -23.096 -2.248 1.00 0.00 C ATOM 129 C ILE A 28 -1.369 -23.815 -0.902 1.00 0.00 C ATOM 130 O ILE A 28 -2.528 -24.085 -0.567 1.00 0.00 O ATOM 131 CB ILE A 28 -0.780 -24.144 -3.391 1.00 0.00 C ATOM 132 CG1 ILE A 28 -1.894 -25.254 -3.473 1.00 0.00 C ATOM 133 CG2 ILE A 28 0.643 -24.754 -3.235 1.00 0.00 C ATOM 134 CD1 ILE A 28 -1.708 -26.288 -4.573 1.00 0.00 C ATOM 0 H ILE A 28 0.782 -22.288 -2.784 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.988 -22.545 -2.509 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.797 -23.610 -4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.937 -25.772 -2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.858 -24.766 -3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.821 -25.471 -4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.387 -23.959 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.718 -25.260 -2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.529 -27.005 -4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.698 -25.790 -5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.763 -26.811 -4.425 1.00 0.00 H new ATOM 146 N ALA A 29 -0.297 -24.083 -0.140 1.00 0.00 N ATOM 147 CA ALA A 29 -0.381 -24.752 1.175 1.00 0.00 C ATOM 148 C ALA A 29 -1.163 -23.893 2.193 1.00 0.00 C ATOM 149 O ALA A 29 -1.980 -24.417 2.955 1.00 0.00 O ATOM 150 CB ALA A 29 1.032 -25.071 1.694 1.00 0.00 C ATOM 0 H ALA A 29 0.655 -23.843 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.928 -25.687 1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.961 -25.564 2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.539 -25.730 0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.599 -24.146 1.798 1.00 0.00 H new ATOM 156 N ASP A 30 -0.926 -22.567 2.153 1.00 0.00 N ATOM 157 CA ASP A 30 -1.565 -21.576 3.057 1.00 0.00 C ATOM 158 C ASP A 30 -3.089 -21.542 2.875 1.00 0.00 C ATOM 159 O ASP A 30 -3.826 -21.313 3.843 1.00 0.00 O ATOM 160 CB ASP A 30 -0.995 -20.159 2.803 1.00 0.00 C ATOM 161 CG ASP A 30 0.507 -20.051 3.084 1.00 0.00 C ATOM 162 OD1 ASP A 30 1.305 -20.518 2.252 1.00 0.00 O ATOM 163 OD2 ASP A 30 0.893 -19.498 4.135 1.00 0.00 O ATOM 0 H ASP A 30 -0.280 -22.144 1.487 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.342 -21.886 4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.185 -19.879 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.527 -19.443 3.429 1.00 0.00 H new ATOM 168 N LEU A 31 -3.537 -21.748 1.621 1.00 0.00 N ATOM 169 CA LEU A 31 -4.970 -21.811 1.275 1.00 0.00 C ATOM 170 C LEU A 31 -5.656 -22.940 2.071 1.00 0.00 C ATOM 171 O LEU A 31 -6.705 -22.741 2.689 1.00 0.00 O ATOM 172 CB LEU A 31 -5.149 -22.082 -0.243 1.00 0.00 C ATOM 173 CG LEU A 31 -4.395 -21.127 -1.223 1.00 0.00 C ATOM 174 CD1 LEU A 31 -4.581 -21.590 -2.689 1.00 0.00 C ATOM 175 CD2 LEU A 31 -4.825 -19.658 -1.029 1.00 0.00 C ATOM 0 H LEU A 31 -2.917 -21.875 0.821 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.426 -20.853 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.825 -23.103 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.213 -22.034 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.332 -21.178 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.048 -20.912 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.184 -22.599 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.642 -21.586 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.279 -19.024 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.895 -19.565 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.605 -19.346 -0.008 1.00 0.00 H new ATOM 187 N GLU A 32 -4.993 -24.109 2.058 1.00 0.00 N ATOM 188 CA GLU A 32 -5.501 -25.360 2.645 1.00 0.00 C ATOM 189 C GLU A 32 -5.481 -25.291 4.182 1.00 0.00 C ATOM 190 O GLU A 32 -6.394 -25.787 4.858 1.00 0.00 O ATOM 191 CB GLU A 32 -4.631 -26.550 2.157 1.00 0.00 C ATOM 192 CG GLU A 32 -4.351 -26.553 0.640 1.00 0.00 C ATOM 193 CD GLU A 32 -3.525 -27.756 0.160 1.00 0.00 C ATOM 194 OE1 GLU A 32 -2.406 -27.955 0.672 1.00 0.00 O ATOM 195 OE2 GLU A 32 -3.996 -28.514 -0.720 1.00 0.00 O ATOM 0 H GLU A 32 -4.072 -24.212 1.631 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.533 -25.504 2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.680 -26.532 2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.129 -27.482 2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.301 -26.541 0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.825 -25.636 0.376 1.00 0.00 H new ATOM 202 N ASN A 33 -4.403 -24.675 4.703 1.00 0.00 N ATOM 203 CA ASN A 33 -4.194 -24.461 6.143 1.00 0.00 C ATOM 204 C ASN A 33 -5.310 -23.565 6.710 1.00 0.00 C ATOM 205 O ASN A 33 -5.921 -23.895 7.731 1.00 0.00 O ATOM 206 CB ASN A 33 -2.794 -23.830 6.393 1.00 0.00 C ATOM 207 CG ASN A 33 -1.623 -24.774 6.067 1.00 0.00 C ATOM 208 OD1 ASN A 33 -1.701 -25.981 6.288 1.00 0.00 O ATOM 209 ND2 ASN A 33 -0.543 -24.239 5.513 1.00 0.00 N ATOM 0 H ASN A 33 -3.645 -24.309 4.127 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.231 -25.422 6.656 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.700 -22.927 5.790 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.724 -23.525 7.437 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.247 -24.832 5.260 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.503 -23.235 5.340 1.00 0.00 H new ATOM 216 N HIS A 34 -5.593 -22.452 5.997 1.00 0.00 N ATOM 217 CA HIS A 34 -6.640 -21.483 6.385 1.00 0.00 C ATOM 218 C HIS A 34 -8.041 -22.106 6.246 1.00 0.00 C ATOM 219 O HIS A 34 -8.946 -21.809 7.043 1.00 0.00 O ATOM 220 CB HIS A 34 -6.543 -20.200 5.533 1.00 0.00 C ATOM 221 CG HIS A 34 -7.597 -19.167 5.851 1.00 0.00 C ATOM 222 ND1 HIS A 34 -7.439 -18.218 6.832 1.00 0.00 N ATOM 223 CD2 HIS A 34 -8.822 -18.943 5.315 1.00 0.00 C ATOM 224 CE1 HIS A 34 -8.516 -17.468 6.889 1.00 0.00 C ATOM 225 NE2 HIS A 34 -9.369 -17.883 5.978 1.00 0.00 N ATOM 0 H HIS A 34 -5.103 -22.201 5.138 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.479 -21.219 7.430 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.558 -19.755 5.677 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.620 -20.470 4.480 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.280 -19.501 4.512 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.675 -16.646 7.571 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.288 -17.479 5.797 1.00 0.00 H new ATOM 234 N ASN A 35 -8.201 -22.959 5.220 1.00 0.00 N ATOM 235 CA ASN A 35 -9.461 -23.677 4.963 1.00 0.00 C ATOM 236 C ASN A 35 -9.818 -24.570 6.160 1.00 0.00 C ATOM 237 O ASN A 35 -10.961 -24.611 6.607 1.00 0.00 O ATOM 238 CB ASN A 35 -9.363 -24.526 3.669 1.00 0.00 C ATOM 239 CG ASN A 35 -10.679 -25.221 3.274 1.00 0.00 C ATOM 240 OD1 ASN A 35 -11.777 -24.710 3.515 1.00 0.00 O ATOM 241 ND2 ASN A 35 -10.580 -26.398 2.672 1.00 0.00 N ATOM 0 H ASN A 35 -7.463 -23.170 4.548 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.251 -22.939 4.825 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.043 -23.883 2.849 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.590 -25.283 3.801 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.423 -26.903 2.397 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.661 -26.799 2.484 1.00 0.00 H new ATOM 248 N ASN A 36 -8.794 -25.254 6.686 1.00 0.00 N ATOM 249 CA ASN A 36 -8.924 -26.150 7.841 1.00 0.00 C ATOM 250 C ASN A 36 -8.987 -25.337 9.164 1.00 0.00 C ATOM 251 O ASN A 36 -9.518 -25.813 10.169 1.00 0.00 O ATOM 252 CB ASN A 36 -7.728 -27.146 7.847 1.00 0.00 C ATOM 253 CG ASN A 36 -7.985 -28.401 8.688 1.00 0.00 C ATOM 254 OD1 ASN A 36 -7.689 -28.449 9.879 1.00 0.00 O ATOM 255 ND2 ASN A 36 -8.539 -29.431 8.062 1.00 0.00 N ATOM 0 H ASN A 36 -7.844 -25.200 6.318 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.854 -26.713 7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.508 -27.444 6.822 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.843 -26.637 8.229 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.731 -30.294 8.571 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.773 -29.360 7.072 1.00 0.00 H new ATOM 262 N ASP A 37 -8.451 -24.098 9.130 1.00 0.00 N ATOM 263 CA ASP A 37 -8.362 -23.200 10.312 1.00 0.00 C ATOM 264 C ASP A 37 -9.746 -22.623 10.704 1.00 0.00 C ATOM 265 O ASP A 37 -10.052 -22.488 11.900 1.00 0.00 O ATOM 266 CB ASP A 37 -7.353 -22.055 9.985 1.00 0.00 C ATOM 267 CG ASP A 37 -7.252 -20.935 11.036 1.00 0.00 C ATOM 268 OD1 ASP A 37 -6.963 -21.230 12.206 1.00 0.00 O ATOM 269 OD2 ASP A 37 -7.436 -19.748 10.687 1.00 0.00 O ATOM 0 H ASP A 37 -8.065 -23.687 8.280 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.012 -23.773 11.170 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.364 -22.494 9.852 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.634 -21.609 9.031 1.00 0.00 H new ATOM 274 N GLY A 38 -10.591 -22.319 9.695 1.00 0.00 N ATOM 275 CA GLY A 38 -11.944 -21.770 9.937 1.00 0.00 C ATOM 276 C GLY A 38 -12.332 -20.671 8.947 1.00 0.00 C ATOM 277 O GLY A 38 -13.068 -19.736 9.302 1.00 0.00 O ATOM 0 H GLY A 38 -10.362 -22.444 8.709 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.673 -22.578 9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.992 -21.371 10.950 1.00 0.00 H new ATOM 281 N GLY A 39 -11.846 -20.794 7.701 1.00 0.00 N ATOM 282 CA GLY A 39 -12.153 -19.844 6.628 1.00 0.00 C ATOM 283 C GLY A 39 -12.122 -20.520 5.271 1.00 0.00 C ATOM 284 O GLY A 39 -11.944 -21.738 5.201 1.00 0.00 O ATOM 0 H GLY A 39 -11.231 -21.555 7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.137 -19.406 6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.433 -19.026 6.646 1.00 0.00 H new ATOM 288 N PHE A 40 -12.352 -19.756 4.190 1.00 0.00 N ATOM 289 CA PHE A 40 -12.246 -20.275 2.814 1.00 0.00 C ATOM 290 C PHE A 40 -11.465 -19.273 1.945 1.00 0.00 C ATOM 291 O PHE A 40 -11.982 -18.203 1.647 1.00 0.00 O ATOM 292 CB PHE A 40 -13.663 -20.559 2.222 1.00 0.00 C ATOM 293 CG PHE A 40 -13.649 -21.474 0.988 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.385 -20.969 -0.288 1.00 0.00 C ATOM 295 CD2 PHE A 40 -13.897 -22.844 1.110 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.364 -21.800 -1.392 1.00 0.00 C ATOM 297 CE2 PHE A 40 -13.879 -23.673 0.002 1.00 0.00 C ATOM 298 CZ PHE A 40 -13.614 -23.151 -1.250 1.00 0.00 C ATOM 0 H PHE A 40 -12.614 -18.772 4.242 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.703 -21.220 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.284 -21.015 2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.131 -19.612 1.955 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.195 -19.913 -0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.106 -23.262 2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.151 -21.392 -2.369 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.072 -24.729 0.116 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.602 -23.798 -2.115 1.00 0.00 H new ATOM 308 N TRP A 41 -10.239 -19.626 1.535 1.00 0.00 N ATOM 309 CA TRP A 41 -9.433 -18.811 0.600 1.00 0.00 C ATOM 310 C TRP A 41 -9.560 -19.353 -0.835 1.00 0.00 C ATOM 311 O TRP A 41 -9.658 -20.566 -1.057 1.00 0.00 O ATOM 312 CB TRP A 41 -7.929 -18.772 1.034 1.00 0.00 C ATOM 313 CG TRP A 41 -7.598 -17.765 2.116 1.00 0.00 C ATOM 314 CD1 TRP A 41 -8.407 -16.775 2.607 1.00 0.00 C ATOM 315 CD2 TRP A 41 -6.342 -17.621 2.806 1.00 0.00 C ATOM 316 NE1 TRP A 41 -7.753 -16.066 3.579 1.00 0.00 N ATOM 317 CE2 TRP A 41 -6.485 -16.560 3.715 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.121 -18.300 2.754 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -5.458 -16.158 4.564 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.099 -17.898 3.596 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.274 -16.837 4.490 1.00 0.00 C ATOM 0 H TRP A 41 -9.774 -20.482 1.838 1.00 0.00 H new ATOM 0 HA TRP A 41 -9.819 -17.792 0.627 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.642 -19.764 1.383 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.320 -18.553 0.157 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.416 -16.581 2.275 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.148 -15.294 4.115 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.978 -19.123 2.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.592 -15.340 5.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.150 -18.412 3.562 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.457 -16.548 5.135 1.00 0.00 H new ATOM 332 N THR A 42 -9.560 -18.422 -1.797 1.00 0.00 N ATOM 333 CA THR A 42 -9.630 -18.719 -3.231 1.00 0.00 C ATOM 334 C THR A 42 -8.627 -17.823 -3.974 1.00 0.00 C ATOM 335 O THR A 42 -8.431 -16.653 -3.610 1.00 0.00 O ATOM 336 CB THR A 42 -11.082 -18.497 -3.795 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.162 -18.905 -5.171 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.549 -17.031 -3.677 1.00 0.00 C ATOM 0 H THR A 42 -9.510 -17.423 -1.596 1.00 0.00 H new ATOM 0 HA THR A 42 -9.378 -19.768 -3.385 1.00 0.00 H new ATOM 0 HB THR A 42 -11.743 -19.112 -3.184 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.073 -18.761 -5.503 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.557 -16.937 -4.081 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.549 -16.732 -2.629 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.871 -16.387 -4.238 1.00 0.00 H new ATOM 346 N VAL A 43 -7.975 -18.382 -4.996 1.00 0.00 N ATOM 347 CA VAL A 43 -7.054 -17.631 -5.853 1.00 0.00 C ATOM 348 C VAL A 43 -7.792 -17.170 -7.115 1.00 0.00 C ATOM 349 O VAL A 43 -8.176 -17.992 -7.950 1.00 0.00 O ATOM 350 CB VAL A 43 -5.801 -18.497 -6.231 1.00 0.00 C ATOM 351 CG1 VAL A 43 -4.861 -17.746 -7.210 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.057 -18.926 -4.951 1.00 0.00 C ATOM 0 H VAL A 43 -8.070 -19.365 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.698 -16.758 -5.305 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.144 -19.392 -6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.005 -18.377 -7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.403 -17.509 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.513 -16.824 -6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.188 -19.527 -5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.731 -18.040 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.725 -19.514 -4.322 1.00 0.00 H new ATOM 362 N ILE A 44 -8.012 -15.853 -7.221 1.00 0.00 N ATOM 363 CA ILE A 44 -8.631 -15.208 -8.391 1.00 0.00 C ATOM 364 C ILE A 44 -7.751 -14.012 -8.791 1.00 0.00 C ATOM 365 O ILE A 44 -7.362 -13.218 -7.932 1.00 0.00 O ATOM 366 CB ILE A 44 -10.099 -14.717 -8.075 1.00 0.00 C ATOM 367 CG1 ILE A 44 -10.999 -15.913 -7.614 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.733 -13.971 -9.287 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.387 -15.527 -7.143 1.00 0.00 C ATOM 0 H ILE A 44 -7.761 -15.193 -6.485 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.701 -15.929 -9.205 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.036 -14.002 -7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.095 -16.616 -8.442 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.491 -16.440 -6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.742 -13.650 -9.029 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.127 -13.100 -9.535 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.774 -14.641 -10.146 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.932 -16.423 -6.845 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.307 -14.851 -6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.921 -15.030 -7.953 1.00 0.00 H new ATOM 381 N ASP A 45 -7.413 -13.935 -10.088 1.00 0.00 N ATOM 382 CA ASP A 45 -6.649 -12.820 -10.694 1.00 0.00 C ATOM 383 C ASP A 45 -5.213 -12.703 -10.079 1.00 0.00 C ATOM 384 O ASP A 45 -4.618 -11.622 -10.032 1.00 0.00 O ATOM 385 CB ASP A 45 -7.478 -11.493 -10.564 1.00 0.00 C ATOM 386 CG ASP A 45 -6.926 -10.336 -11.417 1.00 0.00 C ATOM 387 OD1 ASP A 45 -7.045 -10.402 -12.660 1.00 0.00 O ATOM 388 OD2 ASP A 45 -6.394 -9.350 -10.856 1.00 0.00 O ATOM 0 H ASP A 45 -7.666 -14.657 -10.762 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.497 -13.020 -11.755 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.510 -11.689 -10.856 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.496 -11.186 -9.518 1.00 0.00 H new ATOM 393 N GLY A 46 -4.647 -13.856 -9.663 1.00 0.00 N ATOM 394 CA GLY A 46 -3.308 -13.907 -9.037 1.00 0.00 C ATOM 395 C GLY A 46 -3.282 -13.348 -7.611 1.00 0.00 C ATOM 396 O GLY A 46 -2.213 -13.096 -7.054 1.00 0.00 O ATOM 0 H GLY A 46 -5.098 -14.767 -9.750 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.962 -14.940 -9.021 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.606 -13.345 -9.653 1.00 0.00 H new ATOM 400 N LYS A 47 -4.476 -13.146 -7.032 1.00 0.00 N ATOM 401 CA LYS A 47 -4.669 -12.653 -5.660 1.00 0.00 C ATOM 402 C LYS A 47 -5.425 -13.708 -4.855 1.00 0.00 C ATOM 403 O LYS A 47 -6.079 -14.579 -5.431 1.00 0.00 O ATOM 404 CB LYS A 47 -5.487 -11.335 -5.677 1.00 0.00 C ATOM 405 CG LYS A 47 -4.837 -10.158 -6.430 1.00 0.00 C ATOM 406 CD LYS A 47 -3.571 -9.619 -5.729 1.00 0.00 C ATOM 407 CE LYS A 47 -3.037 -8.341 -6.391 1.00 0.00 C ATOM 408 NZ LYS A 47 -4.051 -7.257 -6.371 1.00 0.00 N ATOM 0 H LYS A 47 -5.355 -13.325 -7.517 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.697 -12.461 -5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.459 -11.538 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.669 -11.028 -4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.578 -10.478 -7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.563 -9.351 -6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.797 -9.416 -4.682 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.796 -10.385 -5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.137 -8.009 -5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.751 -8.555 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.587 -6.344 -6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.764 -7.435 -7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.513 -7.231 -5.440 1.00 0.00 H new ATOM 422 N VAL A 48 -5.337 -13.623 -3.522 1.00 0.00 N ATOM 423 CA VAL A 48 -6.063 -14.521 -2.609 1.00 0.00 C ATOM 424 C VAL A 48 -7.140 -13.725 -1.854 1.00 0.00 C ATOM 425 O VAL A 48 -6.818 -12.798 -1.101 1.00 0.00 O ATOM 426 CB VAL A 48 -5.095 -15.221 -1.589 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.859 -16.169 -0.634 1.00 0.00 C ATOM 428 CG2 VAL A 48 -3.969 -15.972 -2.334 1.00 0.00 C ATOM 0 H VAL A 48 -4.761 -12.930 -3.044 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.532 -15.303 -3.206 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.641 -14.443 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.156 -16.634 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.598 -15.599 -0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.363 -16.942 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.309 -16.450 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.406 -16.731 -2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.397 -15.266 -2.935 1.00 0.00 H new ATOM 438 N TYR A 49 -8.410 -14.092 -2.083 1.00 0.00 N ATOM 439 CA TYR A 49 -9.577 -13.486 -1.413 1.00 0.00 C ATOM 440 C TYR A 49 -10.226 -14.522 -0.487 1.00 0.00 C ATOM 441 O TYR A 49 -10.137 -15.725 -0.748 1.00 0.00 O ATOM 442 CB TYR A 49 -10.617 -12.999 -2.454 1.00 0.00 C ATOM 443 CG TYR A 49 -10.042 -12.109 -3.570 1.00 0.00 C ATOM 444 CD1 TYR A 49 -9.812 -10.748 -3.367 1.00 0.00 C ATOM 445 CD2 TYR A 49 -9.711 -12.639 -4.820 1.00 0.00 C ATOM 446 CE1 TYR A 49 -9.279 -9.958 -4.364 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.182 -11.842 -5.815 1.00 0.00 C ATOM 448 CZ TYR A 49 -8.966 -10.506 -5.580 1.00 0.00 C ATOM 449 OH TYR A 49 -8.416 -9.711 -6.565 1.00 0.00 O ATOM 0 H TYR A 49 -8.661 -14.826 -2.745 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.240 -12.627 -0.833 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.090 -13.869 -2.909 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.400 -12.446 -1.934 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.056 -10.305 -2.412 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.872 -13.690 -5.011 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.108 -8.907 -4.186 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.938 -12.268 -6.777 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.251 -10.250 -7.367 1.00 0.00 H new ATOM 459 N ASP A 50 -10.896 -14.058 0.580 1.00 0.00 N ATOM 460 CA ASP A 50 -11.590 -14.948 1.531 1.00 0.00 C ATOM 461 C ASP A 50 -13.108 -14.968 1.242 1.00 0.00 C ATOM 462 O ASP A 50 -13.814 -13.988 1.505 1.00 0.00 O ATOM 463 CB ASP A 50 -11.293 -14.522 2.993 1.00 0.00 C ATOM 464 CG ASP A 50 -11.849 -15.517 4.037 1.00 0.00 C ATOM 465 OD1 ASP A 50 -11.371 -16.674 4.104 1.00 0.00 O ATOM 466 OD2 ASP A 50 -12.751 -15.150 4.808 1.00 0.00 O ATOM 0 H ASP A 50 -10.973 -13.067 0.808 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.214 -15.963 1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.215 -14.428 3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.723 -13.537 3.173 1.00 0.00 H new ATOM 471 N ILE A 51 -13.574 -16.103 0.679 1.00 0.00 N ATOM 472 CA ILE A 51 -15.006 -16.378 0.382 1.00 0.00 C ATOM 473 C ILE A 51 -15.866 -16.352 1.655 1.00 0.00 C ATOM 474 O ILE A 51 -17.018 -15.891 1.621 1.00 0.00 O ATOM 475 CB ILE A 51 -15.171 -17.779 -0.350 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.571 -17.717 -1.782 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.645 -18.295 -0.392 1.00 0.00 C ATOM 478 CD1 ILE A 51 -15.266 -16.729 -2.698 1.00 0.00 C ATOM 0 H ILE A 51 -12.959 -16.871 0.411 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.354 -15.585 -0.280 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.616 -18.502 0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.516 -17.452 -1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.621 -18.710 -2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.680 -19.255 -0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -17.018 -18.415 0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -17.267 -17.576 -0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.790 -16.744 -3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -16.316 -17.004 -2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.193 -15.727 -2.275 1.00 0.00 H new ATOM 490 N LYS A 52 -15.286 -16.841 2.764 1.00 0.00 N ATOM 491 CA LYS A 52 -15.976 -16.932 4.060 1.00 0.00 C ATOM 492 C LYS A 52 -16.443 -15.515 4.490 1.00 0.00 C ATOM 493 O LYS A 52 -17.600 -15.326 4.877 1.00 0.00 O ATOM 494 CB LYS A 52 -15.021 -17.586 5.120 1.00 0.00 C ATOM 495 CG LYS A 52 -15.694 -18.294 6.336 1.00 0.00 C ATOM 496 CD LYS A 52 -16.509 -17.354 7.256 1.00 0.00 C ATOM 497 CE LYS A 52 -15.661 -16.234 7.909 1.00 0.00 C ATOM 498 NZ LYS A 52 -16.518 -15.217 8.581 1.00 0.00 N ATOM 0 H LYS A 52 -14.326 -17.184 2.786 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.859 -17.566 3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.394 -18.316 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.358 -16.810 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.353 -19.079 5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.921 -18.782 6.930 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.312 -16.899 6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.979 -17.946 8.041 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.977 -16.672 8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.049 -15.749 7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.950 -14.373 8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.303 -14.954 7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.899 -15.613 9.464 1.00 0.00 H new ATOM 512 N ASP A 53 -15.535 -14.528 4.392 1.00 0.00 N ATOM 513 CA ASP A 53 -15.831 -13.131 4.769 1.00 0.00 C ATOM 514 C ASP A 53 -16.722 -12.456 3.710 1.00 0.00 C ATOM 515 O ASP A 53 -17.568 -11.642 4.056 1.00 0.00 O ATOM 516 CB ASP A 53 -14.537 -12.302 4.982 1.00 0.00 C ATOM 517 CG ASP A 53 -14.815 -10.888 5.551 1.00 0.00 C ATOM 518 OD1 ASP A 53 -15.410 -10.794 6.650 1.00 0.00 O ATOM 519 OD2 ASP A 53 -14.461 -9.873 4.910 1.00 0.00 O ATOM 0 H ASP A 53 -14.584 -14.672 4.053 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.367 -13.163 5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.875 -12.838 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.010 -12.209 4.032 1.00 0.00 H new ATOM 524 N PHE A 54 -16.521 -12.825 2.423 1.00 0.00 N ATOM 525 CA PHE A 54 -17.316 -12.312 1.281 1.00 0.00 C ATOM 526 C PHE A 54 -18.828 -12.499 1.531 1.00 0.00 C ATOM 527 O PHE A 54 -19.596 -11.530 1.524 1.00 0.00 O ATOM 528 CB PHE A 54 -16.873 -13.026 -0.032 1.00 0.00 C ATOM 529 CG PHE A 54 -17.670 -12.643 -1.283 1.00 0.00 C ATOM 530 CD1 PHE A 54 -17.299 -11.550 -2.058 1.00 0.00 C ATOM 531 CD2 PHE A 54 -18.806 -13.364 -1.669 1.00 0.00 C ATOM 532 CE1 PHE A 54 -18.028 -11.195 -3.177 1.00 0.00 C ATOM 533 CE2 PHE A 54 -19.536 -12.998 -2.783 1.00 0.00 C ATOM 534 CZ PHE A 54 -19.148 -11.913 -3.535 1.00 0.00 C ATOM 0 H PHE A 54 -15.799 -13.490 2.146 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.132 -11.243 1.177 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.820 -12.805 -0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.952 -14.103 0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.430 -10.971 -1.782 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -19.116 -14.219 -1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.718 -10.350 -3.774 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -20.412 -13.564 -3.064 1.00 0.00 H new ATOM 0 HZ PHE A 54 -19.720 -11.625 -4.404 1.00 0.00 H new ATOM 544 N GLN A 55 -19.225 -13.753 1.792 1.00 0.00 N ATOM 545 CA GLN A 55 -20.633 -14.125 2.045 1.00 0.00 C ATOM 546 C GLN A 55 -21.142 -13.526 3.383 1.00 0.00 C ATOM 547 O GLN A 55 -22.340 -13.257 3.534 1.00 0.00 O ATOM 548 CB GLN A 55 -20.794 -15.667 2.004 1.00 0.00 C ATOM 549 CG GLN A 55 -19.959 -16.430 3.047 1.00 0.00 C ATOM 550 CD GLN A 55 -19.992 -17.948 2.871 1.00 0.00 C ATOM 551 OE1 GLN A 55 -19.171 -18.521 2.150 1.00 0.00 O ATOM 552 NE2 GLN A 55 -20.937 -18.610 3.519 1.00 0.00 N ATOM 0 H GLN A 55 -18.581 -14.543 1.835 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.252 -13.701 1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -21.846 -15.913 2.151 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -20.520 -16.021 1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -18.925 -16.089 2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.323 -16.181 4.044 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -21.601 -18.106 4.107 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -21.002 -19.624 3.430 1.00 0.00 H new ATOM 561 N THR A 56 -20.211 -13.315 4.343 1.00 0.00 N ATOM 562 CA THR A 56 -20.507 -12.661 5.641 1.00 0.00 C ATOM 563 C THR A 56 -20.862 -11.157 5.437 1.00 0.00 C ATOM 564 O THR A 56 -21.730 -10.616 6.126 1.00 0.00 O ATOM 565 CB THR A 56 -19.288 -12.806 6.624 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.032 -14.198 6.903 1.00 0.00 O ATOM 567 CG2 THR A 56 -19.485 -12.050 7.952 1.00 0.00 C ATOM 0 H THR A 56 -19.235 -13.593 4.240 1.00 0.00 H new ATOM 0 HA THR A 56 -21.370 -13.160 6.081 1.00 0.00 H new ATOM 0 HB THR A 56 -18.434 -12.356 6.118 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.519 -14.590 6.166 1.00 0.00 H new ATOM 0 HG21 THR A 56 -18.608 -12.191 8.584 1.00 0.00 H new ATOM 0 HG22 THR A 56 -19.619 -10.987 7.749 1.00 0.00 H new ATOM 0 HG23 THR A 56 -20.367 -12.436 8.463 1.00 0.00 H new ATOM 575 N GLN A 57 -20.172 -10.491 4.485 1.00 0.00 N ATOM 576 CA GLN A 57 -20.428 -9.074 4.131 1.00 0.00 C ATOM 577 C GLN A 57 -21.690 -8.951 3.247 1.00 0.00 C ATOM 578 O GLN A 57 -22.389 -7.930 3.273 1.00 0.00 O ATOM 579 CB GLN A 57 -19.198 -8.465 3.400 1.00 0.00 C ATOM 580 CG GLN A 57 -17.865 -8.511 4.178 1.00 0.00 C ATOM 581 CD GLN A 57 -17.944 -7.934 5.587 1.00 0.00 C ATOM 582 OE1 GLN A 57 -17.787 -6.728 5.785 1.00 0.00 O ATOM 583 NE2 GLN A 57 -18.146 -8.795 6.577 1.00 0.00 N ATOM 0 H GLN A 57 -19.423 -10.918 3.940 1.00 0.00 H new ATOM 0 HA GLN A 57 -20.597 -8.518 5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.064 -8.991 2.455 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -19.420 -7.426 3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.529 -9.546 4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.109 -7.963 3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.272 -9.786 6.373 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.175 -8.465 7.542 1.00 0.00 H new ATOM 592 N SER A 58 -21.974 -10.032 2.486 1.00 0.00 N ATOM 593 CA SER A 58 -23.157 -10.128 1.606 1.00 0.00 C ATOM 594 C SER A 58 -24.459 -10.352 2.422 1.00 0.00 C ATOM 595 O SER A 58 -25.548 -10.382 1.852 1.00 0.00 O ATOM 596 CB SER A 58 -22.947 -11.262 0.569 1.00 0.00 C ATOM 597 OG SER A 58 -23.960 -11.266 -0.425 1.00 0.00 O ATOM 0 H SER A 58 -21.386 -10.865 2.466 1.00 0.00 H new ATOM 0 HA SER A 58 -23.271 -9.181 1.078 1.00 0.00 H new ATOM 0 HB2 SER A 58 -21.973 -11.143 0.094 1.00 0.00 H new ATOM 0 HB3 SER A 58 -22.937 -12.224 1.081 1.00 0.00 H new ATOM 0 HG SER A 58 -24.820 -11.031 -0.017 1.00 0.00 H new ATOM 603 N LEU A 59 -24.318 -10.500 3.762 1.00 0.00 N ATOM 604 CA LEU A 59 -25.447 -10.567 4.717 1.00 0.00 C ATOM 605 C LEU A 59 -26.236 -9.236 4.703 1.00 0.00 C ATOM 606 O LEU A 59 -27.471 -9.226 4.795 1.00 0.00 O ATOM 607 CB LEU A 59 -24.875 -10.905 6.138 1.00 0.00 C ATOM 608 CG LEU A 59 -25.886 -11.155 7.327 1.00 0.00 C ATOM 609 CD1 LEU A 59 -25.260 -12.084 8.396 1.00 0.00 C ATOM 610 CD2 LEU A 59 -26.374 -9.837 7.997 1.00 0.00 C ATOM 0 H LEU A 59 -23.406 -10.577 4.213 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.148 -11.351 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -24.254 -11.795 6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -24.216 -10.088 6.431 1.00 0.00 H new ATOM 0 HG LEU A 59 -26.758 -11.638 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -25.974 -12.242 9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.008 -13.043 7.942 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -24.357 -11.623 8.795 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -27.065 -10.074 8.806 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -25.518 -9.295 8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -26.881 -9.218 7.256 1.00 0.00 H new ATOM 622 N THR A 60 -25.497 -8.119 4.584 1.00 0.00 N ATOM 623 CA THR A 60 -26.067 -6.762 4.603 1.00 0.00 C ATOM 624 C THR A 60 -26.738 -6.424 3.254 1.00 0.00 C ATOM 625 O THR A 60 -26.173 -6.685 2.190 1.00 0.00 O ATOM 626 CB THR A 60 -24.957 -5.714 4.916 1.00 0.00 C ATOM 627 OG1 THR A 60 -24.221 -6.152 6.067 1.00 0.00 O ATOM 628 CG2 THR A 60 -25.530 -4.300 5.187 1.00 0.00 C ATOM 0 H THR A 60 -24.483 -8.133 4.472 1.00 0.00 H new ATOM 0 HA THR A 60 -26.825 -6.727 5.385 1.00 0.00 H new ATOM 0 HB THR A 60 -24.314 -5.640 4.039 1.00 0.00 H new ATOM 0 HG1 THR A 60 -23.518 -5.501 6.273 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.713 -3.611 5.399 1.00 0.00 H new ATOM 0 HG22 THR A 60 -26.077 -3.955 4.310 1.00 0.00 H new ATOM 0 HG23 THR A 60 -26.204 -4.338 6.043 1.00 0.00 H new ATOM 636 N GLU A 61 -27.946 -5.830 3.332 1.00 0.00 N ATOM 637 CA GLU A 61 -28.765 -5.467 2.158 1.00 0.00 C ATOM 638 C GLU A 61 -28.162 -4.242 1.440 1.00 0.00 C ATOM 639 O GLU A 61 -28.207 -4.142 0.212 1.00 0.00 O ATOM 640 CB GLU A 61 -30.229 -5.172 2.605 1.00 0.00 C ATOM 641 CG GLU A 61 -31.221 -4.894 1.452 1.00 0.00 C ATOM 642 CD GLU A 61 -32.645 -4.558 1.938 1.00 0.00 C ATOM 643 OE1 GLU A 61 -33.450 -5.491 2.159 1.00 0.00 O ATOM 644 OE2 GLU A 61 -32.957 -3.362 2.111 1.00 0.00 O ATOM 0 H GLU A 61 -28.384 -5.587 4.220 1.00 0.00 H new ATOM 0 HA GLU A 61 -28.772 -6.303 1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.595 -6.021 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -30.222 -4.311 3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -30.845 -4.066 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -31.264 -5.767 0.801 1.00 0.00 H new ATOM 651 N ASN A 62 -27.585 -3.312 2.232 1.00 0.00 N ATOM 652 CA ASN A 62 -26.898 -2.112 1.706 1.00 0.00 C ATOM 653 C ASN A 62 -25.422 -2.446 1.424 1.00 0.00 C ATOM 654 O ASN A 62 -24.502 -1.855 2.005 1.00 0.00 O ATOM 655 CB ASN A 62 -27.009 -0.923 2.704 1.00 0.00 C ATOM 656 CG ASN A 62 -28.439 -0.567 3.115 1.00 0.00 C ATOM 657 OD1 ASN A 62 -29.399 -0.858 2.407 1.00 0.00 O ATOM 658 ND2 ASN A 62 -28.587 0.088 4.259 1.00 0.00 N ATOM 0 H ASN A 62 -27.582 -3.371 3.250 1.00 0.00 H new ATOM 0 HA ASN A 62 -27.381 -1.810 0.777 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -26.437 -1.163 3.600 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -26.545 -0.045 2.255 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -29.518 0.364 4.572 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -27.770 0.316 4.826 1.00 0.00 H new ATOM 665 N SER A 63 -25.211 -3.414 0.527 1.00 0.00 N ATOM 666 CA SER A 63 -23.876 -3.884 0.130 1.00 0.00 C ATOM 667 C SER A 63 -23.801 -3.974 -1.399 1.00 0.00 C ATOM 668 O SER A 63 -24.823 -4.134 -2.081 1.00 0.00 O ATOM 669 CB SER A 63 -23.570 -5.268 0.774 1.00 0.00 C ATOM 670 OG SER A 63 -22.279 -5.746 0.418 1.00 0.00 O ATOM 0 H SER A 63 -25.970 -3.900 0.049 1.00 0.00 H new ATOM 0 HA SER A 63 -23.128 -3.175 0.484 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.640 -5.187 1.859 1.00 0.00 H new ATOM 0 HB3 SER A 63 -24.324 -5.990 0.459 1.00 0.00 H new ATOM 0 HG SER A 63 -22.123 -6.615 0.843 1.00 0.00 H new ATOM 676 N ILE A 64 -22.571 -3.876 -1.928 1.00 0.00 N ATOM 677 CA ILE A 64 -22.279 -4.080 -3.364 1.00 0.00 C ATOM 678 C ILE A 64 -22.317 -5.585 -3.719 1.00 0.00 C ATOM 679 O ILE A 64 -22.289 -5.952 -4.891 1.00 0.00 O ATOM 680 CB ILE A 64 -20.885 -3.458 -3.774 1.00 0.00 C ATOM 681 CG1 ILE A 64 -19.720 -4.115 -2.961 1.00 0.00 C ATOM 682 CG2 ILE A 64 -20.898 -1.915 -3.606 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.340 -3.579 -3.271 1.00 0.00 C ATOM 0 H ILE A 64 -21.745 -3.652 -1.373 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.054 -3.562 -3.929 1.00 0.00 H new ATOM 0 HB ILE A 64 -20.711 -3.673 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -19.916 -3.976 -1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -19.727 -5.189 -3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -19.928 -1.509 -3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -21.674 -1.486 -4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -21.101 -1.664 -2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.602 -4.097 -2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.115 -3.742 -4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.307 -2.511 -3.054 1.00 0.00 H new ATOM 695 N LEU A 65 -22.374 -6.441 -2.679 1.00 0.00 N ATOM 696 CA LEU A 65 -22.483 -7.905 -2.823 1.00 0.00 C ATOM 697 C LEU A 65 -23.958 -8.349 -2.781 1.00 0.00 C ATOM 698 O LEU A 65 -24.256 -9.513 -3.037 1.00 0.00 O ATOM 699 CB LEU A 65 -21.690 -8.609 -1.689 1.00 0.00 C ATOM 700 CG LEU A 65 -20.246 -8.088 -1.427 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.529 -8.954 -0.369 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.427 -7.981 -2.736 1.00 0.00 C ATOM 0 H LEU A 65 -22.345 -6.132 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.063 -8.188 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.260 -8.515 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -21.633 -9.672 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.327 -7.078 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.523 -8.569 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.087 -8.922 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.470 -9.984 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.426 -7.614 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -19.357 -8.964 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.921 -7.290 -3.419 1.00 0.00 H new ATOM 714 N ALA A 66 -24.867 -7.404 -2.442 1.00 0.00 N ATOM 715 CA ALA A 66 -26.326 -7.659 -2.350 1.00 0.00 C ATOM 716 C ALA A 66 -26.944 -7.916 -3.743 1.00 0.00 C ATOM 717 O ALA A 66 -27.971 -8.590 -3.870 1.00 0.00 O ATOM 718 CB ALA A 66 -27.031 -6.485 -1.651 1.00 0.00 C ATOM 0 H ALA A 66 -24.609 -6.441 -2.224 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.472 -8.560 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.101 -6.687 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -26.627 -6.365 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -26.866 -5.570 -2.220 1.00 0.00 H new ATOM 724 N GLN A 67 -26.297 -7.361 -4.785 1.00 0.00 N ATOM 725 CA GLN A 67 -26.668 -7.603 -6.201 1.00 0.00 C ATOM 726 C GLN A 67 -26.221 -9.016 -6.658 1.00 0.00 C ATOM 727 O GLN A 67 -26.644 -9.497 -7.710 1.00 0.00 O ATOM 728 CB GLN A 67 -26.040 -6.500 -7.101 1.00 0.00 C ATOM 729 CG GLN A 67 -24.503 -6.470 -7.088 1.00 0.00 C ATOM 730 CD GLN A 67 -23.902 -5.261 -7.809 1.00 0.00 C ATOM 731 OE1 GLN A 67 -23.648 -5.298 -9.006 1.00 0.00 O ATOM 732 NE2 GLN A 67 -23.664 -4.179 -7.083 1.00 0.00 N ATOM 0 H GLN A 67 -25.502 -6.732 -4.674 1.00 0.00 H new ATOM 0 HA GLN A 67 -27.753 -7.558 -6.295 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -26.380 -6.647 -8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -26.413 -5.528 -6.778 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.158 -6.473 -6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -24.127 -7.382 -7.552 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -23.885 -4.174 -6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -23.260 -3.351 -7.520 1.00 0.00 H new ATOM 741 N PHE A 68 -25.356 -9.659 -5.847 1.00 0.00 N ATOM 742 CA PHE A 68 -24.856 -11.031 -6.070 1.00 0.00 C ATOM 743 C PHE A 68 -25.329 -11.984 -4.942 1.00 0.00 C ATOM 744 O PHE A 68 -24.840 -13.118 -4.839 1.00 0.00 O ATOM 745 CB PHE A 68 -23.303 -11.015 -6.120 1.00 0.00 C ATOM 746 CG PHE A 68 -22.689 -10.263 -7.306 1.00 0.00 C ATOM 747 CD1 PHE A 68 -22.845 -10.744 -8.609 1.00 0.00 C ATOM 748 CD2 PHE A 68 -21.935 -9.100 -7.121 1.00 0.00 C ATOM 749 CE1 PHE A 68 -22.273 -10.084 -9.683 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.368 -8.441 -8.204 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.535 -8.935 -9.482 1.00 0.00 C ATOM 0 H PHE A 68 -24.978 -9.230 -5.002 1.00 0.00 H new ATOM 0 HA PHE A 68 -25.254 -11.394 -7.017 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -22.932 -10.569 -5.198 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.947 -12.045 -6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -23.419 -11.642 -8.780 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.792 -8.710 -6.124 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -22.405 -10.470 -10.683 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -20.795 -7.539 -8.046 1.00 0.00 H new ATOM 0 HZ PHE A 68 -21.089 -8.424 -10.323 1.00 0.00 H new ATOM 761 N ALA A 69 -26.293 -11.521 -4.110 1.00 0.00 N ATOM 762 CA ALA A 69 -26.788 -12.274 -2.927 1.00 0.00 C ATOM 763 C ALA A 69 -27.522 -13.574 -3.330 1.00 0.00 C ATOM 764 O ALA A 69 -27.529 -14.556 -2.573 1.00 0.00 O ATOM 765 CB ALA A 69 -27.703 -11.378 -2.077 1.00 0.00 C ATOM 0 H ALA A 69 -26.750 -10.618 -4.238 1.00 0.00 H new ATOM 0 HA ALA A 69 -25.921 -12.566 -2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -28.060 -11.938 -1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -27.145 -10.505 -1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.554 -11.054 -2.676 1.00 0.00 H new ATOM 771 N GLY A 70 -28.128 -13.565 -4.539 1.00 0.00 N ATOM 772 CA GLY A 70 -28.828 -14.735 -5.093 1.00 0.00 C ATOM 773 C GLY A 70 -27.944 -15.567 -6.023 1.00 0.00 C ATOM 774 O GLY A 70 -28.449 -16.247 -6.926 1.00 0.00 O ATOM 0 H GLY A 70 -28.143 -12.749 -5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -29.180 -15.363 -4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.710 -14.400 -5.640 1.00 0.00 H new ATOM 778 N GLU A 71 -26.620 -15.518 -5.789 1.00 0.00 N ATOM 779 CA GLU A 71 -25.611 -16.221 -6.606 1.00 0.00 C ATOM 780 C GLU A 71 -24.623 -16.956 -5.682 1.00 0.00 C ATOM 781 O GLU A 71 -24.461 -16.573 -4.514 1.00 0.00 O ATOM 782 CB GLU A 71 -24.868 -15.185 -7.516 1.00 0.00 C ATOM 783 CG GLU A 71 -23.791 -15.763 -8.467 1.00 0.00 C ATOM 784 CD GLU A 71 -24.340 -16.831 -9.430 1.00 0.00 C ATOM 785 OE1 GLU A 71 -25.198 -16.492 -10.274 1.00 0.00 O ATOM 786 OE2 GLU A 71 -23.941 -18.011 -9.329 1.00 0.00 O ATOM 0 H GLU A 71 -26.215 -14.984 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.095 -16.959 -7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.611 -14.661 -8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.396 -14.441 -6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -23.355 -14.950 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.987 -16.198 -7.873 1.00 0.00 H new ATOM 793 N ASP A 72 -23.995 -18.026 -6.220 1.00 0.00 N ATOM 794 CA ASP A 72 -22.896 -18.764 -5.563 1.00 0.00 C ATOM 795 C ASP A 72 -21.769 -17.776 -5.179 1.00 0.00 C ATOM 796 O ASP A 72 -21.337 -17.023 -6.048 1.00 0.00 O ATOM 797 CB ASP A 72 -22.351 -19.854 -6.533 1.00 0.00 C ATOM 798 CG ASP A 72 -21.165 -20.651 -5.962 1.00 0.00 C ATOM 799 OD1 ASP A 72 -19.997 -20.233 -6.151 1.00 0.00 O ATOM 800 OD2 ASP A 72 -21.394 -21.697 -5.317 1.00 0.00 O ATOM 0 H ASP A 72 -24.242 -18.405 -7.134 1.00 0.00 H new ATOM 0 HA ASP A 72 -23.265 -19.248 -4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -23.157 -20.545 -6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -22.043 -19.378 -7.464 1.00 0.00 H new ATOM 805 N PRO A 73 -21.275 -17.777 -3.886 1.00 0.00 N ATOM 806 CA PRO A 73 -20.307 -16.761 -3.374 1.00 0.00 C ATOM 807 C PRO A 73 -19.010 -16.631 -4.212 1.00 0.00 C ATOM 808 O PRO A 73 -18.462 -15.530 -4.359 1.00 0.00 O ATOM 809 CB PRO A 73 -19.988 -17.258 -1.935 1.00 0.00 C ATOM 810 CG PRO A 73 -21.176 -18.084 -1.547 1.00 0.00 C ATOM 811 CD PRO A 73 -21.627 -18.760 -2.822 1.00 0.00 C ATOM 0 HA PRO A 73 -20.737 -15.761 -3.419 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.071 -17.848 -1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.846 -16.422 -1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.913 -18.818 -0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -21.968 -17.462 -1.130 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -21.118 -19.712 -2.972 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -22.697 -18.969 -2.808 1.00 0.00 H new ATOM 819 N VAL A 74 -18.528 -17.762 -4.755 1.00 0.00 N ATOM 820 CA VAL A 74 -17.272 -17.801 -5.529 1.00 0.00 C ATOM 821 C VAL A 74 -17.480 -17.184 -6.921 1.00 0.00 C ATOM 822 O VAL A 74 -16.718 -16.314 -7.339 1.00 0.00 O ATOM 823 CB VAL A 74 -16.693 -19.257 -5.654 1.00 0.00 C ATOM 824 CG1 VAL A 74 -15.301 -19.241 -6.338 1.00 0.00 C ATOM 825 CG2 VAL A 74 -16.632 -19.943 -4.264 1.00 0.00 C ATOM 0 H VAL A 74 -18.991 -18.667 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.538 -17.209 -4.982 1.00 0.00 H new ATOM 0 HB VAL A 74 -17.364 -19.840 -6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.921 -20.260 -6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.391 -18.813 -7.336 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -14.612 -18.639 -5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.228 -20.950 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.990 -19.364 -3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -17.635 -19.998 -3.841 1.00 0.00 H new ATOM 835 N VAL A 75 -18.553 -17.631 -7.601 1.00 0.00 N ATOM 836 CA VAL A 75 -18.946 -17.130 -8.944 1.00 0.00 C ATOM 837 C VAL A 75 -19.308 -15.627 -8.883 1.00 0.00 C ATOM 838 O VAL A 75 -19.046 -14.860 -9.821 1.00 0.00 O ATOM 839 CB VAL A 75 -20.154 -17.961 -9.518 1.00 0.00 C ATOM 840 CG1 VAL A 75 -20.600 -17.449 -10.915 1.00 0.00 C ATOM 841 CG2 VAL A 75 -19.798 -19.468 -9.563 1.00 0.00 C ATOM 0 H VAL A 75 -19.177 -18.352 -7.239 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.094 -17.253 -9.613 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.001 -17.823 -8.845 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -21.435 -18.050 -11.273 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.910 -16.407 -10.839 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.768 -17.530 -11.615 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.643 -20.030 -9.962 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -18.928 -19.617 -10.203 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.572 -19.819 -8.556 1.00 0.00 H new ATOM 851 N ALA A 76 -19.888 -15.241 -7.740 1.00 0.00 N ATOM 852 CA ALA A 76 -20.257 -13.857 -7.415 1.00 0.00 C ATOM 853 C ALA A 76 -19.003 -12.978 -7.309 1.00 0.00 C ATOM 854 O ALA A 76 -18.965 -11.876 -7.853 1.00 0.00 O ATOM 855 CB ALA A 76 -21.056 -13.830 -6.100 1.00 0.00 C ATOM 0 H ALA A 76 -20.120 -15.899 -6.996 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.881 -13.457 -8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.329 -12.802 -5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.960 -14.429 -6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.446 -14.240 -5.295 1.00 0.00 H new ATOM 861 N LEU A 77 -17.978 -13.513 -6.621 1.00 0.00 N ATOM 862 CA LEU A 77 -16.688 -12.834 -6.411 1.00 0.00 C ATOM 863 C LEU A 77 -15.917 -12.671 -7.739 1.00 0.00 C ATOM 864 O LEU A 77 -15.363 -11.600 -8.004 1.00 0.00 O ATOM 865 CB LEU A 77 -15.837 -13.620 -5.376 1.00 0.00 C ATOM 866 CG LEU A 77 -14.426 -13.031 -5.041 1.00 0.00 C ATOM 867 CD1 LEU A 77 -14.505 -11.598 -4.478 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.662 -13.952 -4.078 1.00 0.00 C ATOM 0 H LEU A 77 -18.023 -14.437 -6.192 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.886 -11.836 -6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.406 -13.690 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.703 -14.637 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.876 -12.975 -5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.500 -11.236 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.976 -10.944 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.095 -11.599 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.685 -13.521 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.226 -14.058 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.532 -14.932 -4.538 1.00 0.00 H new ATOM 880 N GLU A 78 -15.909 -13.738 -8.565 1.00 0.00 N ATOM 881 CA GLU A 78 -15.229 -13.743 -9.881 1.00 0.00 C ATOM 882 C GLU A 78 -15.801 -12.632 -10.781 1.00 0.00 C ATOM 883 O GLU A 78 -15.059 -11.783 -11.285 1.00 0.00 O ATOM 884 CB GLU A 78 -15.369 -15.135 -10.564 1.00 0.00 C ATOM 885 CG GLU A 78 -14.651 -16.279 -9.818 1.00 0.00 C ATOM 886 CD GLU A 78 -14.864 -17.661 -10.458 1.00 0.00 C ATOM 887 OE1 GLU A 78 -15.951 -18.249 -10.270 1.00 0.00 O ATOM 888 OE2 GLU A 78 -13.956 -18.160 -11.160 1.00 0.00 O ATOM 0 H GLU A 78 -16.372 -14.619 -8.341 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.168 -13.548 -9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.428 -15.380 -10.650 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.973 -15.072 -11.577 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.583 -16.065 -9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.004 -16.307 -8.787 1.00 0.00 H new ATOM 895 N ALA A 79 -17.140 -12.619 -10.916 1.00 0.00 N ATOM 896 CA ALA A 79 -17.877 -11.606 -11.707 1.00 0.00 C ATOM 897 C ALA A 79 -17.671 -10.189 -11.131 1.00 0.00 C ATOM 898 O ALA A 79 -17.585 -9.210 -11.878 1.00 0.00 O ATOM 899 CB ALA A 79 -19.370 -11.965 -11.757 1.00 0.00 C ATOM 0 H ALA A 79 -17.747 -13.312 -10.479 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.481 -11.607 -12.723 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.905 -11.216 -12.340 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.494 -12.943 -12.222 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.772 -11.991 -10.744 1.00 0.00 H new ATOM 905 N ALA A 80 -17.561 -10.115 -9.794 1.00 0.00 N ATOM 906 CA ALA A 80 -17.371 -8.852 -9.057 1.00 0.00 C ATOM 907 C ALA A 80 -15.957 -8.271 -9.248 1.00 0.00 C ATOM 908 O ALA A 80 -15.759 -7.069 -9.076 1.00 0.00 O ATOM 909 CB ALA A 80 -17.676 -9.060 -7.572 1.00 0.00 C ATOM 0 H ALA A 80 -17.602 -10.935 -9.189 1.00 0.00 H new ATOM 0 HA ALA A 80 -18.070 -8.123 -9.468 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -17.533 -8.122 -7.036 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.708 -9.391 -7.455 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.005 -9.816 -7.165 1.00 0.00 H new ATOM 915 N LEU A 81 -14.974 -9.130 -9.582 1.00 0.00 N ATOM 916 CA LEU A 81 -13.615 -8.678 -9.942 1.00 0.00 C ATOM 917 C LEU A 81 -13.633 -7.981 -11.319 1.00 0.00 C ATOM 918 O LEU A 81 -12.979 -6.946 -11.507 1.00 0.00 O ATOM 919 CB LEU A 81 -12.576 -9.861 -9.926 1.00 0.00 C ATOM 920 CG LEU A 81 -11.671 -9.974 -8.658 1.00 0.00 C ATOM 921 CD1 LEU A 81 -10.916 -8.651 -8.403 1.00 0.00 C ATOM 922 CD2 LEU A 81 -12.472 -10.419 -7.423 1.00 0.00 C ATOM 0 H LEU A 81 -15.096 -10.142 -9.610 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.293 -7.961 -9.187 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.123 -10.797 -10.040 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.930 -9.760 -10.799 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.929 -10.750 -8.848 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.292 -8.753 -7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.288 -8.419 -9.263 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.634 -7.846 -8.251 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.807 -10.486 -6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.258 -9.693 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.920 -11.395 -7.612 1.00 0.00 H new ATOM 934 N GLN A 82 -14.382 -8.567 -12.272 1.00 0.00 N ATOM 935 CA GLN A 82 -14.522 -8.019 -13.638 1.00 0.00 C ATOM 936 C GLN A 82 -15.418 -6.761 -13.642 1.00 0.00 C ATOM 937 O GLN A 82 -15.251 -5.880 -14.495 1.00 0.00 O ATOM 938 CB GLN A 82 -15.060 -9.108 -14.623 1.00 0.00 C ATOM 939 CG GLN A 82 -14.002 -10.119 -15.133 1.00 0.00 C ATOM 940 CD GLN A 82 -13.360 -10.995 -14.047 1.00 0.00 C ATOM 941 OE1 GLN A 82 -12.329 -10.647 -13.466 1.00 0.00 O ATOM 942 NE2 GLN A 82 -13.962 -12.138 -13.764 1.00 0.00 N ATOM 0 H GLN A 82 -14.905 -9.429 -12.120 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.534 -7.718 -13.985 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.858 -9.661 -14.127 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.506 -8.608 -15.483 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -14.470 -10.769 -15.872 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -13.214 -9.568 -15.646 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -14.814 -12.402 -14.259 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.575 -12.755 -13.050 1.00 0.00 H new ATOM 951 N PHE A 83 -16.359 -6.680 -12.683 1.00 0.00 N ATOM 952 CA PHE A 83 -17.249 -5.515 -12.538 1.00 0.00 C ATOM 953 C PHE A 83 -16.550 -4.431 -11.685 1.00 0.00 C ATOM 954 O PHE A 83 -16.243 -4.656 -10.507 1.00 0.00 O ATOM 955 CB PHE A 83 -18.616 -5.937 -11.932 1.00 0.00 C ATOM 956 CG PHE A 83 -19.689 -4.842 -11.937 1.00 0.00 C ATOM 957 CD1 PHE A 83 -19.843 -3.996 -13.037 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.558 -4.670 -10.859 1.00 0.00 C ATOM 959 CE1 PHE A 83 -20.818 -3.019 -13.055 1.00 0.00 C ATOM 960 CE2 PHE A 83 -21.534 -3.688 -10.879 1.00 0.00 C ATOM 961 CZ PHE A 83 -21.664 -2.864 -11.976 1.00 0.00 C ATOM 0 H PHE A 83 -16.522 -7.413 -11.993 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.455 -5.093 -13.522 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.993 -6.797 -12.486 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.456 -6.264 -10.905 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.188 -4.108 -13.888 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.468 -5.313 -9.996 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -20.919 -2.374 -13.916 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -22.195 -3.568 -10.033 1.00 0.00 H new ATOM 0 HZ PHE A 83 -22.426 -2.099 -11.991 1.00 0.00 H new ATOM 971 N GLU A 84 -16.317 -3.255 -12.303 1.00 0.00 N ATOM 972 CA GLU A 84 -15.473 -2.184 -11.742 1.00 0.00 C ATOM 973 C GLU A 84 -16.062 -1.554 -10.463 1.00 0.00 C ATOM 974 O GLU A 84 -15.320 -1.070 -9.603 1.00 0.00 O ATOM 975 CB GLU A 84 -15.192 -1.103 -12.815 1.00 0.00 C ATOM 976 CG GLU A 84 -16.438 -0.367 -13.354 1.00 0.00 C ATOM 977 CD GLU A 84 -16.096 0.716 -14.383 1.00 0.00 C ATOM 978 OE1 GLU A 84 -15.993 0.402 -15.587 1.00 0.00 O ATOM 979 OE2 GLU A 84 -15.878 1.879 -13.985 1.00 0.00 O ATOM 0 H GLU A 84 -16.714 -3.022 -13.213 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.532 -2.647 -11.445 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.509 -0.365 -12.394 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.677 -1.572 -13.653 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.113 -1.092 -13.809 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.973 0.088 -12.520 1.00 0.00 H new ATOM 986 N ASP A 85 -17.393 -1.593 -10.345 1.00 0.00 N ATOM 987 CA ASP A 85 -18.126 -1.002 -9.206 1.00 0.00 C ATOM 988 C ASP A 85 -18.027 -1.862 -7.935 1.00 0.00 C ATOM 989 O ASP A 85 -18.232 -1.364 -6.829 1.00 0.00 O ATOM 990 CB ASP A 85 -19.611 -0.804 -9.585 1.00 0.00 C ATOM 991 CG ASP A 85 -19.815 0.186 -10.746 1.00 0.00 C ATOM 992 OD1 ASP A 85 -19.442 -0.144 -11.888 1.00 0.00 O ATOM 993 OD2 ASP A 85 -20.344 1.295 -10.521 1.00 0.00 O ATOM 0 H ASP A 85 -18.000 -2.035 -11.035 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.662 -0.040 -8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -20.041 -1.768 -9.858 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -20.157 -0.447 -8.712 1.00 0.00 H new ATOM 998 N THR A 86 -17.733 -3.159 -8.100 1.00 0.00 N ATOM 999 CA THR A 86 -17.722 -4.126 -6.985 1.00 0.00 C ATOM 1000 C THR A 86 -16.299 -4.594 -6.613 1.00 0.00 C ATOM 1001 O THR A 86 -16.080 -5.050 -5.482 1.00 0.00 O ATOM 1002 CB THR A 86 -18.634 -5.342 -7.333 1.00 0.00 C ATOM 1003 OG1 THR A 86 -18.332 -5.810 -8.651 1.00 0.00 O ATOM 1004 CG2 THR A 86 -20.125 -4.981 -7.261 1.00 0.00 C ATOM 0 H THR A 86 -17.497 -3.569 -9.003 1.00 0.00 H new ATOM 0 HA THR A 86 -18.115 -3.616 -6.106 1.00 0.00 H new ATOM 0 HB THR A 86 -18.436 -6.120 -6.596 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.431 -6.196 -8.663 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.724 -5.857 -7.511 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.371 -4.649 -6.252 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.340 -4.181 -7.969 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.331 -4.453 -7.550 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.912 -4.867 -7.317 1.00 0.00 C ATOM 1014 C ARG A 87 -13.210 -3.980 -6.252 1.00 0.00 C ATOM 1015 O ARG A 87 -12.122 -4.329 -5.770 1.00 0.00 O ATOM 1016 CB ARG A 87 -13.094 -4.849 -8.635 1.00 0.00 C ATOM 1017 CG ARG A 87 -12.956 -3.448 -9.245 1.00 0.00 C ATOM 1018 CD ARG A 87 -12.101 -3.415 -10.516 1.00 0.00 C ATOM 1019 NE ARG A 87 -12.062 -2.058 -11.083 1.00 0.00 N ATOM 1020 CZ ARG A 87 -11.344 -1.677 -12.145 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -10.530 -2.516 -12.771 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -11.445 -0.439 -12.575 1.00 0.00 N ATOM 0 H ARG A 87 -15.499 -4.057 -8.475 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.949 -5.888 -6.937 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.100 -5.254 -8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.572 -5.508 -9.360 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.949 -3.061 -9.475 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.517 -2.780 -8.504 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.089 -3.748 -10.288 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.507 -4.110 -11.251 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.632 -1.346 -10.626 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.440 -3.478 -12.445 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.994 -2.199 -13.579 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -12.065 0.217 -12.100 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.903 -0.134 -13.384 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.846 -2.834 -5.917 1.00 0.00 N ATOM 1037 CA GLU A 88 -13.365 -1.879 -4.895 1.00 0.00 C ATOM 1038 C GLU A 88 -13.138 -2.556 -3.514 1.00 0.00 C ATOM 1039 O GLU A 88 -12.065 -2.417 -2.914 1.00 0.00 O ATOM 1040 CB GLU A 88 -14.368 -0.693 -4.763 1.00 0.00 C ATOM 1041 CG GLU A 88 -15.848 -1.118 -4.577 1.00 0.00 C ATOM 1042 CD GLU A 88 -16.758 -0.019 -4.011 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -17.113 0.917 -4.747 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -17.115 -0.087 -2.813 1.00 0.00 O ATOM 0 H GLU A 88 -14.720 -2.544 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.397 -1.502 -5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.071 -0.076 -3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.292 -0.069 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.244 -1.440 -5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.885 -1.981 -3.912 1.00 0.00 H new ATOM 1051 N SER A 89 -14.139 -3.319 -3.035 1.00 0.00 N ATOM 1052 CA SER A 89 -14.093 -3.965 -1.700 1.00 0.00 C ATOM 1053 C SER A 89 -13.202 -5.214 -1.723 1.00 0.00 C ATOM 1054 O SER A 89 -12.808 -5.715 -0.666 1.00 0.00 O ATOM 1055 CB SER A 89 -15.520 -4.315 -1.217 1.00 0.00 C ATOM 1056 OG SER A 89 -15.540 -4.793 0.123 1.00 0.00 O ATOM 0 H SER A 89 -14.997 -3.507 -3.554 1.00 0.00 H new ATOM 0 HA SER A 89 -13.657 -3.257 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.153 -3.431 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.948 -5.071 -1.875 1.00 0.00 H new ATOM 0 HG SER A 89 -15.553 -5.773 0.121 1.00 0.00 H new ATOM 1062 N MET A 90 -12.889 -5.711 -2.939 1.00 0.00 N ATOM 1063 CA MET A 90 -12.031 -6.903 -3.122 1.00 0.00 C ATOM 1064 C MET A 90 -10.576 -6.608 -2.725 1.00 0.00 C ATOM 1065 O MET A 90 -9.803 -7.529 -2.505 1.00 0.00 O ATOM 1066 CB MET A 90 -12.126 -7.438 -4.572 1.00 0.00 C ATOM 1067 CG MET A 90 -13.568 -7.641 -5.044 1.00 0.00 C ATOM 1068 SD MET A 90 -14.577 -8.472 -3.811 1.00 0.00 S ATOM 1069 CE MET A 90 -16.225 -8.195 -4.439 1.00 0.00 C ATOM 0 H MET A 90 -13.220 -5.303 -3.813 1.00 0.00 H new ATOM 0 HA MET A 90 -12.398 -7.685 -2.457 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.625 -6.741 -5.244 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.591 -8.385 -4.639 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.010 -6.673 -5.280 1.00 0.00 H new ATOM 0 HG3 MET A 90 -13.568 -8.225 -5.964 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.853 -7.787 -3.647 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.184 -7.490 -5.269 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.646 -9.139 -4.785 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.225 -5.308 -2.626 1.00 0.00 N ATOM 1080 CA HIS A 91 -8.938 -4.863 -2.041 1.00 0.00 C ATOM 1081 C HIS A 91 -8.861 -5.292 -0.556 1.00 0.00 C ATOM 1082 O HIS A 91 -7.812 -5.728 -0.079 1.00 0.00 O ATOM 1083 CB HIS A 91 -8.779 -3.320 -2.167 1.00 0.00 C ATOM 1084 CG HIS A 91 -8.624 -2.812 -3.582 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -7.511 -2.122 -4.019 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -9.460 -2.868 -4.648 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -7.674 -1.778 -5.280 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -8.846 -2.219 -5.684 1.00 0.00 N ATOM 0 H HIS A 91 -10.818 -4.542 -2.946 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.123 -5.334 -2.591 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.649 -2.841 -1.717 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.910 -3.010 -1.587 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -10.432 -3.338 -4.674 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -6.965 -1.227 -5.881 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.234 -2.097 -6.619 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.006 -5.175 0.150 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.139 -5.565 1.572 1.00 0.00 C ATOM 1099 C ALA A 92 -10.198 -7.099 1.723 1.00 0.00 C ATOM 1100 O ALA A 92 -9.657 -7.651 2.688 1.00 0.00 O ATOM 1101 CB ALA A 92 -11.390 -4.909 2.189 1.00 0.00 C ATOM 0 H ALA A 92 -10.868 -4.806 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.258 -5.211 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.477 -5.203 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.302 -3.825 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.277 -5.235 1.646 1.00 0.00 H new ATOM 1107 N PHE A 93 -10.871 -7.776 0.762 1.00 0.00 N ATOM 1108 CA PHE A 93 -10.966 -9.257 0.732 1.00 0.00 C ATOM 1109 C PHE A 93 -9.616 -9.895 0.350 1.00 0.00 C ATOM 1110 O PHE A 93 -9.360 -11.054 0.698 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.080 -9.730 -0.248 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.495 -9.326 0.170 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -14.012 -9.723 1.399 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.302 -8.548 -0.655 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.286 -9.352 1.781 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.576 -8.178 -0.271 1.00 0.00 C ATOM 1117 CZ PHE A 93 -16.066 -8.580 0.948 1.00 0.00 C ATOM 0 H PHE A 93 -11.359 -7.317 -0.007 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.229 -9.586 1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.875 -9.322 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.035 -10.816 -0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.410 -10.328 2.061 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -13.924 -8.227 -1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -15.673 -9.669 2.738 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.185 -7.574 -0.927 1.00 0.00 H new ATOM 0 HZ PHE A 93 -17.061 -8.291 1.253 1.00 0.00 H new ATOM 1127 N CYS A 94 -8.760 -9.123 -0.356 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.409 -9.557 -0.734 1.00 0.00 C ATOM 1129 C CYS A 94 -6.518 -9.571 0.513 1.00 0.00 C ATOM 1130 O CYS A 94 -6.072 -8.515 0.982 1.00 0.00 O ATOM 1131 CB CYS A 94 -6.806 -8.639 -1.826 1.00 0.00 C ATOM 1132 SG CYS A 94 -5.173 -9.157 -2.405 1.00 0.00 S ATOM 0 H CYS A 94 -8.992 -8.183 -0.677 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.467 -10.562 -1.152 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -7.488 -8.607 -2.676 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -6.736 -7.624 -1.435 1.00 0.00 H new ATOM 0 HG CYS A 94 -4.911 -10.348 -1.956 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.326 -10.773 1.078 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.443 -10.993 2.239 1.00 0.00 C ATOM 1140 C VAL A 95 -3.960 -10.845 1.820 1.00 0.00 C ATOM 1141 O VAL A 95 -3.096 -10.508 2.636 1.00 0.00 O ATOM 1142 CB VAL A 95 -5.705 -12.408 2.885 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -7.187 -12.552 3.333 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -5.295 -13.560 1.925 1.00 0.00 C ATOM 0 H VAL A 95 -6.779 -11.623 0.743 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.667 -10.236 2.991 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.077 -12.484 3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.340 -13.537 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.421 -11.784 4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.841 -12.437 2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.490 -14.520 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.874 -13.490 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.233 -13.479 1.693 1.00 0.00 H new ATOM 1154 N GLY A 96 -3.701 -11.104 0.530 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.371 -10.985 -0.059 1.00 0.00 C ATOM 1156 C GLY A 96 -2.364 -11.449 -1.505 1.00 0.00 C ATOM 1157 O GLY A 96 -3.389 -11.925 -2.017 1.00 0.00 O ATOM 0 H GLY A 96 -4.416 -11.403 -0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.039 -9.948 -0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.661 -11.577 0.519 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.214 -11.286 -2.170 1.00 0.00 N ATOM 1162 CA GLN A 97 -1.014 -11.736 -3.556 1.00 0.00 C ATOM 1163 C GLN A 97 -0.601 -13.208 -3.544 1.00 0.00 C ATOM 1164 O GLN A 97 0.227 -13.607 -2.726 1.00 0.00 O ATOM 1165 CB GLN A 97 0.082 -10.885 -4.252 1.00 0.00 C ATOM 1166 CG GLN A 97 0.319 -11.235 -5.741 1.00 0.00 C ATOM 1167 CD GLN A 97 1.514 -10.521 -6.386 1.00 0.00 C ATOM 1168 OE1 GLN A 97 2.144 -11.061 -7.296 1.00 0.00 O ATOM 1169 NE2 GLN A 97 1.841 -9.307 -5.936 1.00 0.00 N ATOM 0 H GLN A 97 -0.393 -10.838 -1.763 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.944 -11.616 -4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.192 -9.833 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.019 -11.009 -3.709 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.466 -12.311 -5.828 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.581 -10.990 -6.305 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.303 -8.881 -5.181 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.628 -8.806 -6.347 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.177 -14.010 -4.445 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.811 -15.423 -4.582 1.00 0.00 C ATOM 1180 C TYR A 98 0.525 -15.548 -5.327 1.00 0.00 C ATOM 1181 O TYR A 98 0.720 -14.920 -6.377 1.00 0.00 O ATOM 1182 CB TYR A 98 -1.906 -16.212 -5.336 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.601 -17.719 -5.492 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -1.593 -18.565 -4.380 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.323 -18.286 -6.740 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -1.316 -19.909 -4.511 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -1.052 -19.629 -6.866 1.00 0.00 C ATOM 1188 CZ TYR A 98 -1.049 -20.434 -5.752 1.00 0.00 C ATOM 1189 OH TYR A 98 -0.767 -21.773 -5.886 1.00 0.00 O ATOM 0 H TYR A 98 -1.902 -13.703 -5.093 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.712 -15.846 -3.582 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.852 -16.096 -4.807 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.038 -15.774 -6.325 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.807 -18.159 -3.402 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.321 -17.659 -7.619 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.309 -20.548 -3.640 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.842 -20.050 -7.838 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.603 -21.980 -6.830 1.00 0.00 H new ATOM 1199 N LEU A 99 1.430 -16.367 -4.776 1.00 0.00 N ATOM 1200 CA LEU A 99 2.672 -16.759 -5.438 1.00 0.00 C ATOM 1201 C LEU A 99 2.803 -18.283 -5.299 1.00 0.00 C ATOM 1202 O LEU A 99 2.714 -18.818 -4.186 1.00 0.00 O ATOM 1203 CB LEU A 99 3.907 -16.018 -4.831 1.00 0.00 C ATOM 1204 CG LEU A 99 5.004 -15.542 -5.845 1.00 0.00 C ATOM 1205 CD1 LEU A 99 5.553 -16.697 -6.712 1.00 0.00 C ATOM 1206 CD2 LEU A 99 4.486 -14.379 -6.722 1.00 0.00 C ATOM 0 H LEU A 99 1.316 -16.778 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 99 2.643 -16.477 -6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.547 -15.147 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.378 -16.679 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 99 5.841 -15.174 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.309 -16.311 -7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.999 -17.455 -6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.739 -17.141 -7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.268 -14.070 -7.415 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.612 -14.708 -7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.212 -13.538 -6.086 1.00 0.00 H new ATOM 1218 N GLU A 100 2.984 -18.961 -6.441 1.00 0.00 N ATOM 1219 CA GLU A 100 3.188 -20.412 -6.494 1.00 0.00 C ATOM 1220 C GLU A 100 4.579 -20.780 -5.923 1.00 0.00 C ATOM 1221 O GLU A 100 5.569 -20.104 -6.263 1.00 0.00 O ATOM 1222 CB GLU A 100 3.089 -20.904 -7.958 1.00 0.00 C ATOM 1223 CG GLU A 100 1.767 -20.574 -8.662 1.00 0.00 C ATOM 1224 CD GLU A 100 1.758 -20.997 -10.136 1.00 0.00 C ATOM 1225 OE1 GLU A 100 2.345 -20.273 -10.977 1.00 0.00 O ATOM 1226 OE2 GLU A 100 1.198 -22.066 -10.451 1.00 0.00 O ATOM 0 H GLU A 100 2.993 -18.514 -7.358 1.00 0.00 H new ATOM 0 HA GLU A 100 2.416 -20.894 -5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.907 -20.466 -8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 100 3.232 -21.984 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.949 -21.071 -8.141 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.583 -19.502 -8.595 1.00 0.00 H new ATOM 1233 N PRO A 101 4.679 -21.853 -5.067 1.00 0.00 N ATOM 1234 CA PRO A 101 5.978 -22.345 -4.544 1.00 0.00 C ATOM 1235 C PRO A 101 6.952 -22.781 -5.676 1.00 0.00 C ATOM 1236 O PRO A 101 8.169 -22.823 -5.472 1.00 0.00 O ATOM 1237 CB PRO A 101 5.579 -23.542 -3.628 1.00 0.00 C ATOM 1238 CG PRO A 101 4.205 -23.933 -4.081 1.00 0.00 C ATOM 1239 CD PRO A 101 3.545 -22.645 -4.515 1.00 0.00 C ATOM 0 HA PRO A 101 6.525 -21.568 -4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.280 -24.370 -3.732 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.581 -23.253 -2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.251 -24.648 -4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.646 -24.409 -3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.773 -22.820 -5.265 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.067 -22.135 -3.678 1.00 0.00 H new ATOM 1247 N ASP A 102 6.381 -23.098 -6.860 1.00 0.00 N ATOM 1248 CA ASP A 102 7.124 -23.509 -8.075 1.00 0.00 C ATOM 1249 C ASP A 102 7.568 -22.277 -8.905 1.00 0.00 C ATOM 1250 O ASP A 102 8.681 -22.256 -9.446 1.00 0.00 O ATOM 1251 CB ASP A 102 6.215 -24.445 -8.924 1.00 0.00 C ATOM 1252 CG ASP A 102 6.816 -24.854 -10.284 1.00 0.00 C ATOM 1253 OD1 ASP A 102 7.624 -25.804 -10.326 1.00 0.00 O ATOM 1254 OD2 ASP A 102 6.464 -24.238 -11.314 1.00 0.00 O ATOM 0 H ASP A 102 5.371 -23.075 -7.001 1.00 0.00 H new ATOM 0 HA ASP A 102 8.028 -24.042 -7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.003 -25.346 -8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.261 -23.946 -9.097 1.00 0.00 H new ATOM 1259 N GLN A 103 6.681 -21.257 -8.979 1.00 0.00 N ATOM 1260 CA GLN A 103 6.884 -20.023 -9.792 1.00 0.00 C ATOM 1261 C GLN A 103 8.125 -19.229 -9.321 1.00 0.00 C ATOM 1262 O GLN A 103 8.793 -18.552 -10.116 1.00 0.00 O ATOM 1263 CB GLN A 103 5.610 -19.131 -9.710 1.00 0.00 C ATOM 1264 CG GLN A 103 5.593 -17.873 -10.605 1.00 0.00 C ATOM 1265 CD GLN A 103 5.493 -18.155 -12.117 1.00 0.00 C ATOM 1266 OE1 GLN A 103 6.039 -17.410 -12.931 1.00 0.00 O ATOM 1267 NE2 GLN A 103 4.754 -19.193 -12.515 1.00 0.00 N ATOM 0 H GLN A 103 5.795 -21.262 -8.474 1.00 0.00 H new ATOM 0 HA GLN A 103 7.058 -20.320 -10.826 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.746 -19.745 -9.967 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.480 -18.815 -8.675 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.751 -17.246 -10.310 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.500 -17.298 -10.416 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.310 -19.798 -11.824 1.00 0.00 H new ATOM 0 HE22 GLN A 103 4.633 -19.381 -13.510 1.00 0.00 H new