USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 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 54 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 55 ASN : amide:sc= 1.04 K(o=1,f=-0.0033) USER MOD Set 2.1: A 34 ASN :FLIP amide:sc= -2.48! C(o=-4.9!,f=-4.2!) USER MOD Set 2.2: A 37 GLN :FLIP amide:sc= -1.71! C(o=-10!,f=-4.2!) USER MOD Single : A 1 HIS : no HD1:sc= -0.022 X(o=-0.022,f=-0.011) USER MOD Single : A 1 HIS N :NH3+ -142:sc= 1.22 (180deg=-0.321) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.8) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= -0.032 (180deg=-0.253) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 49:sc= -2.01! USER MOD Single : A 29 ASN :FLIP amide:sc= -1.39 F(o=-5.2!,f=-1.4) USER MOD Single : A 38 GLN : amide:sc= -10.8! C(o=-11!,f=-14!) USER MOD Single : A 40 ASN : amide:sc= -0.0275 X(o=-0.028,f=-0.18) USER MOD Single : A 43 ASN :FLIP amide:sc= -3.47! C(o=-8.5!,f=-3.5!) USER MOD Single : A 48 TYR OH : rot 133:sc= 1.56 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -6.1! C(o=-6.1!,f=-6.9!) USER MOD Single : A 59 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 61 MET CE :methyl -111:sc= -2.13! (180deg=-5.39!) USER MOD Single : A 62 SER OG : rot 55:sc= 1.41 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -80:sc= -2.13! USER MOD Single : A 67 ASN : amide:sc= -0.566 K(o=-0.57,f=-1.3) USER MOD Single : A 69 GLN : amide:sc= -7.08! C(o=-7.1!,f=-8.1!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 1.26 K(o=1.3,f=-4.9!) USER MOD Single : A 78 THR OG1 : rot -51:sc= 1.29 USER MOD Single : A 85 HIS : no HD1:sc=-0.00227 X(o=-0.0023,f=-0.011) USER MOD Single : A 86 HIS : no HD1:sc= -0.538 X(o=-0.54,f=-0.37) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HE2:sc= 0.761 K(o=0.76,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -1.844 5.660 18.374 1.00 0.00 N ATOM 2 CA HIS A 1 -2.900 4.645 18.592 1.00 0.00 C ATOM 3 C HIS A 1 -3.949 5.161 19.561 1.00 0.00 C ATOM 4 O HIS A 1 -3.716 5.223 20.769 1.00 0.00 O ATOM 5 CB HIS A 1 -2.298 3.336 19.114 1.00 0.00 C ATOM 6 CG HIS A 1 -1.768 2.440 18.035 1.00 0.00 C ATOM 7 ND1 HIS A 1 -2.257 1.173 17.807 1.00 0.00 N ATOM 8 CD2 HIS A 1 -0.782 2.624 17.127 1.00 0.00 C ATOM 9 CE1 HIS A 1 -1.597 0.619 16.809 1.00 0.00 C ATOM 10 NE2 HIS A 1 -0.695 1.478 16.378 1.00 0.00 N ATOM 0 H1 HIS A 1 -1.549 5.645 17.377 1.00 0.00 H new ATOM 0 H2 HIS A 1 -2.214 6.602 18.612 1.00 0.00 H new ATOM 0 H3 HIS A 1 -1.027 5.446 18.980 1.00 0.00 H new ATOM 0 HA HIS A 1 -3.379 4.448 17.633 1.00 0.00 H new ATOM 0 HB2 HIS A 1 -1.491 3.570 19.808 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -3.059 2.797 19.679 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -0.175 3.510 17.013 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -1.767 -0.371 16.412 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -0.040 1.317 15.613 1.00 0.00 H new ATOM 21 N HIS A 2 -5.106 5.515 19.003 1.00 0.00 N ATOM 22 CA HIS A 2 -6.215 6.078 19.737 1.00 0.00 C ATOM 23 C HIS A 2 -7.261 6.574 18.749 1.00 0.00 C ATOM 24 O HIS A 2 -8.391 6.098 18.733 1.00 0.00 O ATOM 25 CB HIS A 2 -5.777 7.231 20.647 1.00 0.00 C ATOM 26 CG HIS A 2 -6.350 7.161 22.028 1.00 0.00 C ATOM 27 ND1 HIS A 2 -7.523 7.784 22.395 1.00 0.00 N ATOM 28 CD2 HIS A 2 -5.893 6.544 23.142 1.00 0.00 C ATOM 29 CE1 HIS A 2 -7.759 7.555 23.671 1.00 0.00 C ATOM 30 NE2 HIS A 2 -6.785 6.805 24.152 1.00 0.00 N ATOM 0 H HIS A 2 -5.292 5.412 18.005 1.00 0.00 H new ATOM 0 HA HIS A 2 -6.630 5.298 20.376 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -4.689 7.235 20.715 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -6.071 8.175 20.189 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -4.992 5.954 23.222 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -8.608 7.920 24.230 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -6.708 6.475 25.114 1.00 0.00 H new ATOM 39 N GLN A 3 -6.864 7.526 17.916 1.00 0.00 N ATOM 40 CA GLN A 3 -7.720 8.045 16.852 1.00 0.00 C ATOM 41 C GLN A 3 -6.903 8.239 15.582 1.00 0.00 C ATOM 42 O GLN A 3 -6.535 9.361 15.232 1.00 0.00 O ATOM 43 CB GLN A 3 -8.367 9.375 17.258 1.00 0.00 C ATOM 44 CG GLN A 3 -9.395 9.246 18.369 1.00 0.00 C ATOM 45 CD GLN A 3 -10.543 8.329 17.996 1.00 0.00 C ATOM 46 OE1 GLN A 3 -10.914 8.216 16.824 1.00 0.00 O ATOM 47 NE2 GLN A 3 -11.107 7.662 18.988 1.00 0.00 N ATOM 0 H GLN A 3 -5.942 7.961 17.956 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.514 7.320 16.672 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.586 10.065 17.577 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.845 9.817 16.384 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -8.908 8.866 19.267 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -9.788 10.233 18.612 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -10.769 7.785 19.942 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.880 7.024 18.799 1.00 0.00 H new ATOM 56 N GLU A 4 -6.621 7.144 14.892 1.00 0.00 N ATOM 57 CA GLU A 4 -5.740 7.187 13.733 1.00 0.00 C ATOM 58 C GLU A 4 -6.502 6.908 12.446 1.00 0.00 C ATOM 59 O GLU A 4 -6.831 7.831 11.699 1.00 0.00 O ATOM 60 CB GLU A 4 -4.620 6.162 13.878 1.00 0.00 C ATOM 61 CG GLU A 4 -3.900 6.218 15.210 1.00 0.00 C ATOM 62 CD GLU A 4 -3.056 4.987 15.447 1.00 0.00 C ATOM 63 OE1 GLU A 4 -3.607 3.870 15.372 1.00 0.00 O ATOM 64 OE2 GLU A 4 -1.853 5.132 15.749 1.00 0.00 O ATOM 0 H GLU A 4 -6.987 6.218 15.113 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.319 8.191 13.682 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.036 5.164 13.744 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.895 6.316 13.078 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.266 7.104 15.243 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.630 6.318 16.013 1.00 0.00 H new ATOM 71 N LEU A 5 -6.771 5.624 12.200 1.00 0.00 N ATOM 72 CA LEU A 5 -7.362 5.172 10.944 1.00 0.00 C ATOM 73 C LEU A 5 -6.562 5.690 9.759 1.00 0.00 C ATOM 74 O LEU A 5 -7.066 6.452 8.937 1.00 0.00 O ATOM 75 CB LEU A 5 -8.830 5.585 10.822 1.00 0.00 C ATOM 76 CG LEU A 5 -9.837 4.524 11.272 1.00 0.00 C ATOM 77 CD1 LEU A 5 -11.259 5.045 11.123 1.00 0.00 C ATOM 78 CD2 LEU A 5 -9.651 3.236 10.471 1.00 0.00 C ATOM 0 H LEU A 5 -6.585 4.873 12.865 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.328 4.083 10.942 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.988 6.488 11.411 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.035 5.842 9.783 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.659 4.303 12.324 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.963 4.279 11.447 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.386 5.937 11.736 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.448 5.293 10.079 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.375 2.493 10.804 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.803 3.441 9.411 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.642 2.854 10.625 1.00 0.00 H new ATOM 90 N CYS A 6 -5.288 5.301 9.726 1.00 0.00 N ATOM 91 CA CYS A 6 -4.392 5.588 8.602 1.00 0.00 C ATOM 92 C CYS A 6 -3.959 7.053 8.568 1.00 0.00 C ATOM 93 O CYS A 6 -3.140 7.441 7.738 1.00 0.00 O ATOM 94 CB CYS A 6 -5.051 5.175 7.287 1.00 0.00 C ATOM 95 SG CYS A 6 -5.822 3.522 7.373 1.00 0.00 S ATOM 0 H CYS A 6 -4.845 4.776 10.480 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.485 5.000 8.741 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.809 5.911 7.018 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.304 5.182 6.493 1.00 0.00 H new ATOM 100 N THR A 7 -4.495 7.840 9.506 1.00 0.00 N ATOM 101 CA THR A 7 -4.146 9.251 9.662 1.00 0.00 C ATOM 102 C THR A 7 -4.813 10.109 8.587 1.00 0.00 C ATOM 103 O THR A 7 -4.630 9.878 7.396 1.00 0.00 O ATOM 104 CB THR A 7 -2.616 9.475 9.643 1.00 0.00 C ATOM 105 OG1 THR A 7 -1.983 8.590 10.579 1.00 0.00 O ATOM 106 CG2 THR A 7 -2.270 10.916 9.990 1.00 0.00 C ATOM 0 H THR A 7 -5.186 7.512 10.181 1.00 0.00 H new ATOM 0 HA THR A 7 -4.519 9.559 10.639 1.00 0.00 H new ATOM 0 HB THR A 7 -2.254 9.266 8.636 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.014 8.735 10.562 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.188 11.045 9.969 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.730 11.586 9.263 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.644 11.150 10.987 1.00 0.00 H new ATOM 114 N LYS A 8 -5.614 11.079 9.031 1.00 0.00 N ATOM 115 CA LYS A 8 -6.294 12.018 8.131 1.00 0.00 C ATOM 116 C LYS A 8 -7.315 11.296 7.247 1.00 0.00 C ATOM 117 O LYS A 8 -7.660 11.760 6.151 1.00 0.00 O ATOM 118 CB LYS A 8 -5.279 12.781 7.276 1.00 0.00 C ATOM 119 CG LYS A 8 -4.327 13.651 8.081 1.00 0.00 C ATOM 120 CD LYS A 8 -3.209 14.202 7.211 1.00 0.00 C ATOM 121 CE LYS A 8 -2.333 15.183 7.978 1.00 0.00 C ATOM 122 NZ LYS A 8 -3.080 16.409 8.360 1.00 0.00 N ATOM 0 H LYS A 8 -5.810 11.237 10.019 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.834 12.738 8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.698 12.066 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.816 13.409 6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.879 14.476 8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.901 13.068 8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.597 13.380 6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.636 14.699 6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.945 14.700 8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.473 15.457 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.408 17.155 8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.650 16.733 7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.706 16.198 9.164 1.00 0.00 H new ATOM 136 N GLY A 9 -7.769 10.147 7.737 1.00 0.00 N ATOM 137 CA GLY A 9 -8.876 9.432 7.133 1.00 0.00 C ATOM 138 C GLY A 9 -8.656 9.032 5.686 1.00 0.00 C ATOM 139 O GLY A 9 -7.521 8.961 5.196 1.00 0.00 O ATOM 0 H GLY A 9 -7.378 9.691 8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.074 8.534 7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.769 10.054 7.192 1.00 0.00 H new ATOM 143 N ASP A 10 -9.762 8.783 4.998 1.00 0.00 N ATOM 144 CA ASP A 10 -9.721 8.313 3.624 1.00 0.00 C ATOM 145 C ASP A 10 -9.207 9.400 2.701 1.00 0.00 C ATOM 146 O ASP A 10 -8.715 9.107 1.625 1.00 0.00 O ATOM 147 CB ASP A 10 -11.106 7.865 3.148 1.00 0.00 C ATOM 148 CG ASP A 10 -11.718 6.790 4.021 1.00 0.00 C ATOM 149 OD1 ASP A 10 -12.304 7.140 5.069 1.00 0.00 O ATOM 150 OD2 ASP A 10 -11.640 5.595 3.656 1.00 0.00 O ATOM 0 H ASP A 10 -10.703 8.900 5.374 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.044 7.459 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.772 8.728 3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.029 7.494 2.126 1.00 0.00 H new ATOM 155 N ASP A 11 -9.320 10.654 3.125 1.00 0.00 N ATOM 156 CA ASP A 11 -8.867 11.768 2.298 1.00 0.00 C ATOM 157 C ASP A 11 -7.358 11.703 2.106 1.00 0.00 C ATOM 158 O ASP A 11 -6.853 11.842 0.987 1.00 0.00 O ATOM 159 CB ASP A 11 -9.254 13.107 2.914 1.00 0.00 C ATOM 160 CG ASP A 11 -8.950 14.261 1.980 1.00 0.00 C ATOM 161 OD1 ASP A 11 -9.741 14.486 1.040 1.00 0.00 O ATOM 162 OD2 ASP A 11 -7.923 14.944 2.179 1.00 0.00 O ATOM 0 H ASP A 11 -9.716 10.924 4.025 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.357 11.684 1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.317 13.104 3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -8.716 13.246 3.852 1.00 0.00 H new ATOM 167 N ALA A 12 -6.637 11.472 3.198 1.00 0.00 N ATOM 168 CA ALA A 12 -5.199 11.272 3.113 1.00 0.00 C ATOM 169 C ALA A 12 -4.905 9.994 2.349 1.00 0.00 C ATOM 170 O ALA A 12 -3.995 9.948 1.524 1.00 0.00 O ATOM 171 CB ALA A 12 -4.573 11.216 4.491 1.00 0.00 C ATOM 0 H ALA A 12 -7.021 11.419 4.141 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.763 12.118 2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.498 11.066 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.764 12.152 5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.007 10.390 5.054 1.00 0.00 H new ATOM 177 N LEU A 13 -5.710 8.968 2.610 1.00 0.00 N ATOM 178 CA LEU A 13 -5.592 7.702 1.897 1.00 0.00 C ATOM 179 C LEU A 13 -5.864 7.890 0.396 1.00 0.00 C ATOM 180 O LEU A 13 -5.452 7.079 -0.415 1.00 0.00 O ATOM 181 CB LEU A 13 -6.553 6.670 2.499 1.00 0.00 C ATOM 182 CG LEU A 13 -6.540 5.291 1.829 1.00 0.00 C ATOM 183 CD1 LEU A 13 -5.211 4.589 2.062 1.00 0.00 C ATOM 184 CD2 LEU A 13 -7.696 4.443 2.337 1.00 0.00 C ATOM 0 H LEU A 13 -6.451 8.990 3.311 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.571 7.335 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.310 6.545 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.566 7.070 2.450 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.662 5.430 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.225 3.613 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.404 5.190 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.050 4.460 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.672 3.467 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.606 4.314 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.639 4.939 2.108 1.00 0.00 H new ATOM 196 N VAL A 14 -6.565 8.967 0.051 1.00 0.00 N ATOM 197 CA VAL A 14 -6.829 9.336 -1.337 1.00 0.00 C ATOM 198 C VAL A 14 -5.576 9.932 -1.973 1.00 0.00 C ATOM 199 O VAL A 14 -5.213 9.592 -3.101 1.00 0.00 O ATOM 200 CB VAL A 14 -8.007 10.337 -1.453 1.00 0.00 C ATOM 201 CG1 VAL A 14 -7.991 11.062 -2.791 1.00 0.00 C ATOM 202 CG2 VAL A 14 -9.334 9.617 -1.266 1.00 0.00 C ATOM 0 H VAL A 14 -6.968 9.612 0.731 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.109 8.427 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.889 11.080 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.830 11.756 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.057 11.614 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.074 10.336 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.151 10.333 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.443 8.850 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.360 9.151 -0.281 1.00 0.00 H new ATOM 212 N THR A 15 -4.913 10.823 -1.248 1.00 0.00 N ATOM 213 CA THR A 15 -3.616 11.322 -1.680 1.00 0.00 C ATOM 214 C THR A 15 -2.654 10.143 -1.828 1.00 0.00 C ATOM 215 O THR A 15 -2.001 9.951 -2.871 1.00 0.00 O ATOM 216 CB THR A 15 -3.042 12.331 -0.662 1.00 0.00 C ATOM 217 OG1 THR A 15 -4.046 13.295 -0.312 1.00 0.00 O ATOM 218 CG2 THR A 15 -1.825 13.046 -1.231 1.00 0.00 C ATOM 0 H THR A 15 -5.248 11.212 -0.367 1.00 0.00 H new ATOM 0 HA THR A 15 -3.738 11.834 -2.635 1.00 0.00 H new ATOM 0 HB THR A 15 -2.736 11.781 0.228 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.677 13.931 0.335 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.440 13.751 -0.494 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.053 12.315 -1.472 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.109 13.585 -2.135 1.00 0.00 H new ATOM 226 N GLU A 16 -2.623 9.318 -0.790 1.00 0.00 N ATOM 227 CA GLU A 16 -1.806 8.124 -0.785 1.00 0.00 C ATOM 228 C GLU A 16 -2.326 7.109 -1.793 1.00 0.00 C ATOM 229 O GLU A 16 -1.604 6.204 -2.169 1.00 0.00 O ATOM 230 CB GLU A 16 -1.754 7.523 0.620 1.00 0.00 C ATOM 231 CG GLU A 16 -1.021 8.413 1.609 1.00 0.00 C ATOM 232 CD GLU A 16 -1.057 7.900 3.033 1.00 0.00 C ATOM 233 OE1 GLU A 16 -0.185 7.084 3.404 1.00 0.00 O ATOM 234 OE2 GLU A 16 -1.927 8.355 3.802 1.00 0.00 O ATOM 0 H GLU A 16 -3.162 9.461 0.064 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.792 8.397 -1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.770 7.351 0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.262 6.551 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.018 8.512 1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.459 9.411 1.580 1.00 0.00 H new ATOM 241 N LEU A 17 -3.573 7.276 -2.246 1.00 0.00 N ATOM 242 CA LEU A 17 -4.143 6.428 -3.265 1.00 0.00 C ATOM 243 C LEU A 17 -3.482 6.746 -4.610 1.00 0.00 C ATOM 244 O LEU A 17 -3.110 5.851 -5.379 1.00 0.00 O ATOM 245 CB LEU A 17 -5.656 6.639 -3.326 1.00 0.00 C ATOM 246 CG LEU A 17 -6.256 6.718 -4.719 1.00 0.00 C ATOM 247 CD1 LEU A 17 -6.294 5.345 -5.382 1.00 0.00 C ATOM 248 CD2 LEU A 17 -7.645 7.334 -4.670 1.00 0.00 C ATOM 0 H LEU A 17 -4.203 8.004 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.960 5.380 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.140 5.824 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.897 7.559 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.617 7.361 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.729 5.434 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.281 4.951 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.900 4.667 -4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.058 7.382 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.292 6.722 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.582 8.340 -4.256 1.00 0.00 H new ATOM 260 N GLU A 18 -3.314 8.038 -4.873 1.00 0.00 N ATOM 261 CA GLU A 18 -2.662 8.491 -6.091 1.00 0.00 C ATOM 262 C GLU A 18 -1.203 8.038 -6.103 1.00 0.00 C ATOM 263 O GLU A 18 -0.627 7.774 -7.160 1.00 0.00 O ATOM 264 CB GLU A 18 -2.748 10.012 -6.216 1.00 0.00 C ATOM 265 CG GLU A 18 -2.261 10.530 -7.559 1.00 0.00 C ATOM 266 CD GLU A 18 -2.283 12.038 -7.644 1.00 0.00 C ATOM 267 OE1 GLU A 18 -3.320 12.598 -8.048 1.00 0.00 O ATOM 268 OE2 GLU A 18 -1.260 12.669 -7.315 1.00 0.00 O ATOM 0 H GLU A 18 -3.622 8.789 -4.256 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.176 8.049 -6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.781 10.325 -6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.158 10.469 -5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.245 10.175 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.885 10.116 -8.351 1.00 0.00 H new ATOM 275 N CYS A 19 -0.603 7.949 -4.923 1.00 0.00 N ATOM 276 CA CYS A 19 0.738 7.386 -4.813 1.00 0.00 C ATOM 277 C CYS A 19 0.647 5.859 -4.866 1.00 0.00 C ATOM 278 O CYS A 19 1.542 5.176 -5.367 1.00 0.00 O ATOM 279 CB CYS A 19 1.408 7.826 -3.513 1.00 0.00 C ATOM 280 SG CYS A 19 1.267 9.608 -3.141 1.00 0.00 S ATOM 0 H CYS A 19 -1.015 8.254 -4.041 1.00 0.00 H new ATOM 0 HA CYS A 19 1.343 7.749 -5.644 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.973 7.262 -2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.464 7.561 -3.558 1.00 0.00 H new ATOM 285 N ILE A 20 -0.479 5.353 -4.373 1.00 0.00 N ATOM 286 CA ILE A 20 -0.783 3.921 -4.315 1.00 0.00 C ATOM 287 C ILE A 20 -0.998 3.343 -5.714 1.00 0.00 C ATOM 288 O ILE A 20 -1.082 2.127 -5.904 1.00 0.00 O ATOM 289 CB ILE A 20 -2.022 3.695 -3.408 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.611 3.042 -2.088 1.00 0.00 C ATOM 291 CG2 ILE A 20 -3.136 2.906 -4.091 1.00 0.00 C ATOM 292 CD1 ILE A 20 -2.696 3.103 -1.035 1.00 0.00 C ATOM 0 H ILE A 20 -1.224 5.937 -3.993 1.00 0.00 H new ATOM 0 HA ILE A 20 0.068 3.393 -3.884 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.438 4.681 -3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.348 2.000 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.716 3.535 -1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.971 2.784 -3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.473 3.444 -4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.761 1.925 -4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.344 2.623 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.942 4.144 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.584 2.586 -1.397 1.00 0.00 H new ATOM 304 N ARG A 21 -1.083 4.224 -6.699 1.00 0.00 N ATOM 305 CA ARG A 21 -1.027 3.823 -8.107 1.00 0.00 C ATOM 306 C ARG A 21 0.277 3.149 -8.467 1.00 0.00 C ATOM 307 O ARG A 21 0.498 2.783 -9.620 1.00 0.00 O ATOM 308 CB ARG A 21 -1.345 4.992 -9.038 1.00 0.00 C ATOM 309 CG ARG A 21 -2.830 5.315 -9.076 1.00 0.00 C ATOM 310 CD ARG A 21 -3.624 4.131 -9.608 1.00 0.00 C ATOM 311 NE ARG A 21 -5.040 4.189 -9.251 1.00 0.00 N ATOM 312 CZ ARG A 21 -5.858 3.137 -9.302 1.00 0.00 C ATOM 313 NH1 ARG A 21 -5.412 1.970 -9.761 1.00 0.00 N ATOM 314 NH2 ARG A 21 -7.120 3.252 -8.904 1.00 0.00 N ATOM 0 H ARG A 21 -1.192 5.228 -6.554 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.806 3.074 -8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.792 5.873 -8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.002 4.755 -10.045 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.177 5.572 -8.075 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.002 6.187 -9.707 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.529 4.095 -10.693 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.194 3.208 -9.220 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.424 5.083 -8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.445 1.881 -10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.037 1.165 -9.800 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.466 4.147 -8.558 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.743 2.445 -8.944 1.00 0.00 H new ATOM 328 N LEU A 22 1.141 3.015 -7.478 1.00 0.00 N ATOM 329 CA LEU A 22 2.294 2.166 -7.587 1.00 0.00 C ATOM 330 C LEU A 22 3.226 2.655 -8.678 1.00 0.00 C ATOM 331 O LEU A 22 3.909 1.880 -9.343 1.00 0.00 O ATOM 332 CB LEU A 22 1.814 0.741 -7.808 1.00 0.00 C ATOM 333 CG LEU A 22 1.941 -0.191 -6.596 1.00 0.00 C ATOM 334 CD1 LEU A 22 1.215 0.377 -5.391 1.00 0.00 C ATOM 335 CD2 LEU A 22 1.402 -1.575 -6.929 1.00 0.00 C ATOM 0 H LEU A 22 1.056 3.494 -6.582 1.00 0.00 H new ATOM 0 HA LEU A 22 2.880 2.194 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.768 0.771 -8.114 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.376 0.311 -8.637 1.00 0.00 H new ATOM 0 HG LEU A 22 2.999 -0.275 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.322 -0.305 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.643 1.345 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.158 0.499 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.500 -2.223 -6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.351 -1.499 -7.208 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.968 -1.996 -7.760 1.00 0.00 H new ATOM 347 N ARG A 23 3.230 3.970 -8.842 1.00 0.00 N ATOM 348 CA ARG A 23 4.286 4.653 -9.561 1.00 0.00 C ATOM 349 C ARG A 23 5.450 4.824 -8.603 1.00 0.00 C ATOM 350 O ARG A 23 6.404 5.554 -8.854 1.00 0.00 O ATOM 351 CB ARG A 23 3.802 6.005 -10.099 1.00 0.00 C ATOM 352 CG ARG A 23 3.105 6.881 -9.064 1.00 0.00 C ATOM 353 CD ARG A 23 2.641 8.192 -9.683 1.00 0.00 C ATOM 354 NE ARG A 23 1.803 8.984 -8.777 1.00 0.00 N ATOM 355 CZ ARG A 23 1.788 10.319 -8.755 1.00 0.00 C ATOM 356 NH1 ARG A 23 2.609 11.012 -9.538 1.00 0.00 N ATOM 357 NH2 ARG A 23 0.961 10.960 -7.941 1.00 0.00 N ATOM 0 H ARG A 23 2.503 4.588 -8.481 1.00 0.00 H new ATOM 0 HA ARG A 23 4.596 4.069 -10.428 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.656 6.549 -10.502 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.117 5.828 -10.928 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.250 6.348 -8.648 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.786 7.086 -8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.512 8.780 -9.972 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.083 7.980 -10.595 1.00 0.00 H new ATOM 0 HE ARG A 23 1.196 8.486 -8.126 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.254 10.524 -10.159 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.594 12.032 -9.518 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.336 10.433 -7.331 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.950 11.980 -7.925 1.00 0.00 H new ATOM 371 N ILE A 24 5.307 4.146 -7.469 1.00 0.00 N ATOM 372 CA ILE A 24 6.356 4.034 -6.465 1.00 0.00 C ATOM 373 C ILE A 24 7.555 3.265 -7.046 1.00 0.00 C ATOM 374 O ILE A 24 7.510 2.792 -8.182 1.00 0.00 O ATOM 375 CB ILE A 24 5.815 3.306 -5.209 1.00 0.00 C ATOM 376 CG1 ILE A 24 4.291 3.464 -5.119 1.00 0.00 C ATOM 377 CG2 ILE A 24 6.459 3.844 -3.947 1.00 0.00 C ATOM 378 CD1 ILE A 24 3.680 2.880 -3.863 1.00 0.00 C ATOM 0 H ILE A 24 4.449 3.654 -7.220 1.00 0.00 H new ATOM 0 HA ILE A 24 6.681 5.034 -6.178 1.00 0.00 H new ATOM 0 HB ILE A 24 6.064 2.249 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.043 4.524 -5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.836 2.987 -5.987 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.061 3.315 -3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.538 3.696 -3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.242 4.908 -3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.601 3.034 -3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.894 1.812 -3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.105 3.373 -2.989 1.00 0.00 H new ATOM 390 N SER A 25 8.610 3.128 -6.259 1.00 0.00 N ATOM 391 CA SER A 25 9.880 2.608 -6.757 1.00 0.00 C ATOM 392 C SER A 25 10.337 1.307 -6.057 1.00 0.00 C ATOM 393 O SER A 25 10.977 0.476 -6.700 1.00 0.00 O ATOM 394 CB SER A 25 10.966 3.683 -6.645 1.00 0.00 C ATOM 395 OG SER A 25 12.202 3.248 -7.184 1.00 0.00 O ATOM 0 H SER A 25 8.615 3.370 -5.268 1.00 0.00 H new ATOM 0 HA SER A 25 9.718 2.347 -7.803 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.640 4.583 -7.166 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.102 3.953 -5.598 1.00 0.00 H new ATOM 0 HG SER A 25 12.867 3.962 -7.095 1.00 0.00 H new ATOM 401 N PRO A 26 10.076 1.115 -4.733 1.00 0.00 N ATOM 402 CA PRO A 26 10.420 -0.143 -4.024 1.00 0.00 C ATOM 403 C PRO A 26 9.827 -1.414 -4.654 1.00 0.00 C ATOM 404 O PRO A 26 9.380 -1.410 -5.796 1.00 0.00 O ATOM 405 CB PRO A 26 9.797 0.082 -2.645 1.00 0.00 C ATOM 406 CG PRO A 26 9.864 1.545 -2.453 1.00 0.00 C ATOM 407 CD PRO A 26 9.521 2.113 -3.791 1.00 0.00 C ATOM 0 HA PRO A 26 11.496 -0.319 -4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.769 -0.278 -2.609 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.348 -0.448 -1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.162 1.878 -1.689 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.857 1.858 -2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.444 2.229 -3.915 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.967 3.097 -3.937 1.00 0.00 H new ATOM 415 N GLU A 27 9.801 -2.503 -3.880 1.00 0.00 N ATOM 416 CA GLU A 27 9.142 -3.749 -4.304 1.00 0.00 C ATOM 417 C GLU A 27 7.631 -3.566 -4.375 1.00 0.00 C ATOM 418 O GLU A 27 6.896 -4.519 -4.622 1.00 0.00 O ATOM 419 CB GLU A 27 9.490 -4.927 -3.389 1.00 0.00 C ATOM 420 CG GLU A 27 10.975 -5.252 -3.398 1.00 0.00 C ATOM 421 CD GLU A 27 11.339 -6.425 -2.515 1.00 0.00 C ATOM 422 OE1 GLU A 27 10.983 -7.566 -2.862 1.00 0.00 O ATOM 423 OE2 GLU A 27 12.008 -6.212 -1.482 1.00 0.00 O ATOM 0 H GLU A 27 10.228 -2.550 -2.955 1.00 0.00 H new ATOM 0 HA GLU A 27 9.518 -3.983 -5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.178 -4.696 -2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.927 -5.806 -3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.286 -5.466 -4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.533 -4.374 -3.072 1.00 0.00 H new ATOM 430 N THR A 28 7.197 -2.338 -4.098 1.00 0.00 N ATOM 431 CA THR A 28 5.801 -1.932 -4.123 1.00 0.00 C ATOM 432 C THR A 28 4.937 -2.697 -5.141 1.00 0.00 C ATOM 433 O THR A 28 3.922 -3.278 -4.763 1.00 0.00 O ATOM 434 CB THR A 28 5.727 -0.417 -4.429 1.00 0.00 C ATOM 435 OG1 THR A 28 4.369 0.001 -4.565 1.00 0.00 O ATOM 436 CG2 THR A 28 6.493 -0.068 -5.695 1.00 0.00 C ATOM 0 H THR A 28 7.829 -1.579 -3.843 1.00 0.00 H new ATOM 0 HA THR A 28 5.392 -2.168 -3.141 1.00 0.00 H new ATOM 0 HB THR A 28 6.186 0.107 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.847 -0.331 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.420 1.004 -5.880 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.540 -0.345 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.068 -0.612 -6.539 1.00 0.00 H new ATOM 444 N ASN A 29 5.338 -2.738 -6.404 1.00 0.00 N ATOM 445 CA ASN A 29 4.492 -3.328 -7.429 1.00 0.00 C ATOM 446 C ASN A 29 4.386 -4.829 -7.239 1.00 0.00 C ATOM 447 O ASN A 29 3.286 -5.369 -7.179 1.00 0.00 O ATOM 448 CB ASN A 29 5.001 -2.992 -8.835 1.00 0.00 C ATOM 449 CG ASN A 29 4.518 -1.634 -9.319 1.00 0.00 C ATOM 450 OD1 ASN A 29 4.315 -0.709 -8.392 1.00 0.00 O flip ATOM 451 ND2 ASN A 29 4.333 -1.419 -10.517 1.00 0.00 N flip ATOM 0 H ASN A 29 6.230 -2.375 -6.739 1.00 0.00 H new ATOM 0 HA ASN A 29 3.496 -2.898 -7.326 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.091 -3.008 -8.837 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.669 -3.762 -9.532 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.501 -2.158 -11.200 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.012 -0.502 -10.827 1.00 0.00 H new ATOM 458 N ALA A 30 5.520 -5.496 -7.107 1.00 0.00 N ATOM 459 CA ALA A 30 5.533 -6.940 -6.919 1.00 0.00 C ATOM 460 C ALA A 30 4.815 -7.322 -5.627 1.00 0.00 C ATOM 461 O ALA A 30 3.838 -8.085 -5.631 1.00 0.00 O ATOM 462 CB ALA A 30 6.968 -7.446 -6.894 1.00 0.00 C ATOM 0 H ALA A 30 6.443 -5.063 -7.126 1.00 0.00 H new ATOM 0 HA ALA A 30 5.006 -7.405 -7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.970 -8.527 -6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.456 -7.202 -7.837 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.507 -6.972 -6.074 1.00 0.00 H new ATOM 468 N ALA A 31 5.286 -6.741 -4.533 1.00 0.00 N ATOM 469 CA ALA A 31 4.817 -7.082 -3.203 1.00 0.00 C ATOM 470 C ALA A 31 3.327 -6.809 -3.030 1.00 0.00 C ATOM 471 O ALA A 31 2.553 -7.734 -2.778 1.00 0.00 O ATOM 472 CB ALA A 31 5.620 -6.324 -2.161 1.00 0.00 C ATOM 0 H ALA A 31 6.006 -6.018 -4.546 1.00 0.00 H new ATOM 0 HA ALA A 31 4.964 -8.153 -3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.262 -6.585 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.673 -6.590 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.502 -5.252 -2.319 1.00 0.00 H new ATOM 478 N PHE A 32 2.917 -5.546 -3.140 1.00 0.00 N ATOM 479 CA PHE A 32 1.512 -5.202 -2.940 1.00 0.00 C ATOM 480 C PHE A 32 0.605 -5.871 -3.957 1.00 0.00 C ATOM 481 O PHE A 32 -0.504 -6.221 -3.619 1.00 0.00 O ATOM 482 CB PHE A 32 1.280 -3.699 -2.995 1.00 0.00 C ATOM 483 CG PHE A 32 2.228 -2.989 -2.120 1.00 0.00 C ATOM 484 CD1 PHE A 32 2.583 -3.549 -0.916 1.00 0.00 C ATOM 485 CD2 PHE A 32 2.825 -1.821 -2.523 1.00 0.00 C ATOM 486 CE1 PHE A 32 3.514 -2.953 -0.125 1.00 0.00 C ATOM 487 CE2 PHE A 32 3.772 -1.229 -1.741 1.00 0.00 C ATOM 488 CZ PHE A 32 4.112 -1.799 -0.541 1.00 0.00 C ATOM 0 H PHE A 32 3.525 -4.758 -3.362 1.00 0.00 H new ATOM 0 HA PHE A 32 1.261 -5.570 -1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.392 -3.347 -4.021 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.258 -3.473 -2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.118 -4.470 -0.596 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.544 -1.369 -3.463 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.779 -3.390 0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.251 -0.317 -2.065 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.860 -1.330 0.081 1.00 0.00 H new ATOM 498 N ASP A 33 1.050 -6.059 -5.196 1.00 0.00 N ATOM 499 CA ASP A 33 0.165 -6.639 -6.197 1.00 0.00 C ATOM 500 C ASP A 33 -0.212 -8.037 -5.758 1.00 0.00 C ATOM 501 O ASP A 33 -1.365 -8.425 -5.844 1.00 0.00 O ATOM 502 CB ASP A 33 0.797 -6.666 -7.587 1.00 0.00 C ATOM 503 CG ASP A 33 -0.236 -6.845 -8.686 1.00 0.00 C ATOM 504 OD1 ASP A 33 -0.832 -5.832 -9.118 1.00 0.00 O ATOM 505 OD2 ASP A 33 -0.457 -7.993 -9.122 1.00 0.00 O ATOM 0 H ASP A 33 1.988 -5.826 -5.523 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.724 -6.013 -6.274 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.344 -5.738 -7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.523 -7.477 -7.638 1.00 0.00 H new ATOM 510 N ASN A 34 0.770 -8.765 -5.237 1.00 0.00 N ATOM 511 CA ASN A 34 0.531 -10.081 -4.644 1.00 0.00 C ATOM 512 C ASN A 34 -0.347 -9.966 -3.387 1.00 0.00 C ATOM 513 O ASN A 34 -1.256 -10.767 -3.160 1.00 0.00 O ATOM 514 CB ASN A 34 1.871 -10.719 -4.291 1.00 0.00 C ATOM 515 CG ASN A 34 1.749 -12.127 -3.743 1.00 0.00 C ATOM 516 OD1 ASN A 34 2.700 -12.506 -2.902 1.00 0.00 O flip ATOM 517 ND2 ASN A 34 0.821 -12.862 -4.072 1.00 0.00 N flip ATOM 0 H ASN A 34 1.745 -8.466 -5.212 1.00 0.00 H new ATOM 0 HA ASN A 34 0.003 -10.704 -5.366 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.500 -10.738 -5.181 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.378 -10.095 -3.555 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.111 -12.527 -4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.761 -13.807 -3.694 1.00 0.00 H new ATOM 524 N ALA A 35 -0.075 -8.949 -2.586 1.00 0.00 N ATOM 525 CA ALA A 35 -0.786 -8.726 -1.329 1.00 0.00 C ATOM 526 C ALA A 35 -2.242 -8.342 -1.564 1.00 0.00 C ATOM 527 O ALA A 35 -3.185 -8.958 -1.048 1.00 0.00 O ATOM 528 CB ALA A 35 -0.088 -7.625 -0.559 1.00 0.00 C ATOM 0 H ALA A 35 0.644 -8.253 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.777 -9.656 -0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.611 -7.451 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.941 -7.921 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.090 -6.709 -1.151 1.00 0.00 H new ATOM 534 N VAL A 36 -2.404 -7.314 -2.351 1.00 0.00 N ATOM 535 CA VAL A 36 -3.690 -6.785 -2.698 1.00 0.00 C ATOM 536 C VAL A 36 -4.403 -7.750 -3.638 1.00 0.00 C ATOM 537 O VAL A 36 -5.592 -7.618 -3.900 1.00 0.00 O ATOM 538 CB VAL A 36 -3.493 -5.404 -3.341 1.00 0.00 C ATOM 539 CG1 VAL A 36 -4.818 -4.708 -3.586 1.00 0.00 C ATOM 540 CG2 VAL A 36 -2.574 -4.548 -2.467 1.00 0.00 C ATOM 0 H VAL A 36 -1.626 -6.811 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.313 -6.670 -1.811 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.022 -5.544 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.639 -3.734 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.429 -5.314 -4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.340 -4.575 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.439 -3.570 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.021 -4.424 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.606 -5.039 -2.367 1.00 0.00 H new ATOM 550 N GLN A 37 -3.643 -8.714 -4.142 1.00 0.00 N ATOM 551 CA GLN A 37 -4.190 -9.879 -4.819 1.00 0.00 C ATOM 552 C GLN A 37 -4.868 -10.813 -3.815 1.00 0.00 C ATOM 553 O GLN A 37 -5.918 -11.387 -4.107 1.00 0.00 O ATOM 554 CB GLN A 37 -3.058 -10.593 -5.560 1.00 0.00 C ATOM 555 CG GLN A 37 -3.271 -12.079 -5.795 1.00 0.00 C ATOM 556 CD GLN A 37 -2.175 -12.685 -6.647 1.00 0.00 C ATOM 557 OE1 GLN A 37 -0.997 -12.077 -6.613 1.00 0.00 O flip ATOM 558 NE2 GLN A 37 -2.387 -13.677 -7.346 1.00 0.00 N flip ATOM 0 H GLN A 37 -2.624 -8.708 -4.091 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.948 -9.568 -5.537 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.914 -10.106 -6.525 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.135 -10.460 -4.995 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.311 -12.595 -4.836 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.234 -12.234 -6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.308 -14.115 -7.343 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.641 -14.060 -7.927 1.00 0.00 H new ATOM 567 N GLN A 38 -4.251 -10.969 -2.639 1.00 0.00 N ATOM 568 CA GLN A 38 -4.849 -11.742 -1.543 1.00 0.00 C ATOM 569 C GLN A 38 -6.230 -11.217 -1.197 1.00 0.00 C ATOM 570 O GLN A 38 -7.237 -11.900 -1.379 1.00 0.00 O ATOM 571 CB GLN A 38 -3.997 -11.654 -0.279 1.00 0.00 C ATOM 572 CG GLN A 38 -2.630 -12.274 -0.392 1.00 0.00 C ATOM 573 CD GLN A 38 -1.717 -11.741 0.677 1.00 0.00 C ATOM 574 OE1 GLN A 38 -0.888 -12.469 1.210 1.00 0.00 O ATOM 575 NE2 GLN A 38 -1.848 -10.442 0.966 1.00 0.00 N ATOM 0 H GLN A 38 -3.338 -10.571 -2.421 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.910 -12.775 -1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.883 -10.605 -0.008 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.533 -12.138 0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.708 -13.358 -0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.209 -12.063 -1.375 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.556 -9.883 0.491 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.240 -10.010 1.662 1.00 0.00 H new ATOM 584 N LEU A 39 -6.265 -9.989 -0.692 1.00 0.00 N ATOM 585 CA LEU A 39 -7.530 -9.381 -0.264 1.00 0.00 C ATOM 586 C LEU A 39 -8.335 -8.922 -1.468 1.00 0.00 C ATOM 587 O LEU A 39 -9.538 -8.696 -1.368 1.00 0.00 O ATOM 588 CB LEU A 39 -7.292 -8.197 0.677 1.00 0.00 C ATOM 589 CG LEU A 39 -6.027 -7.392 0.405 1.00 0.00 C ATOM 590 CD1 LEU A 39 -6.209 -5.959 0.846 1.00 0.00 C ATOM 591 CD2 LEU A 39 -4.864 -8.004 1.154 1.00 0.00 C ATOM 0 H LEU A 39 -5.444 -9.396 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.092 -10.143 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.149 -7.527 0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.252 -8.570 1.700 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.825 -7.410 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.297 -5.398 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.038 -5.512 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.424 -5.932 1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.961 -7.427 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.075 -7.996 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.717 -9.032 0.821 1.00 0.00 H new ATOM 603 N ASN A 40 -7.647 -8.786 -2.590 1.00 0.00 N ATOM 604 CA ASN A 40 -8.266 -8.505 -3.883 1.00 0.00 C ATOM 605 C ASN A 40 -9.262 -7.357 -3.827 1.00 0.00 C ATOM 606 O ASN A 40 -10.479 -7.544 -3.894 1.00 0.00 O ATOM 607 CB ASN A 40 -8.898 -9.768 -4.449 1.00 0.00 C ATOM 608 CG ASN A 40 -9.435 -9.588 -5.859 1.00 0.00 C ATOM 609 OD1 ASN A 40 -10.623 -9.338 -6.060 1.00 0.00 O ATOM 610 ND2 ASN A 40 -8.563 -9.695 -6.847 1.00 0.00 N ATOM 0 H ASN A 40 -6.631 -8.868 -2.633 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.474 -8.177 -4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.158 -10.569 -4.448 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.711 -10.084 -3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.868 -9.569 -7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.585 -9.903 -6.644 1.00 0.00 H new ATOM 617 N CYS A 41 -8.721 -6.166 -3.674 1.00 0.00 N ATOM 618 CA CYS A 41 -9.489 -4.953 -3.858 1.00 0.00 C ATOM 619 C CYS A 41 -9.310 -4.490 -5.291 1.00 0.00 C ATOM 620 O CYS A 41 -10.136 -3.763 -5.839 1.00 0.00 O ATOM 621 CB CYS A 41 -8.993 -3.847 -2.918 1.00 0.00 C ATOM 622 SG CYS A 41 -9.826 -2.237 -3.135 1.00 0.00 S ATOM 0 H CYS A 41 -7.745 -6.012 -3.421 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.537 -5.156 -3.637 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.129 -4.176 -1.888 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.922 -3.711 -3.071 1.00 0.00 H new ATOM 627 N LEU A 42 -8.206 -4.959 -5.884 1.00 0.00 N ATOM 628 CA LEU A 42 -7.674 -4.428 -7.139 1.00 0.00 C ATOM 629 C LEU A 42 -7.191 -2.998 -6.927 1.00 0.00 C ATOM 630 O LEU A 42 -6.793 -2.308 -7.862 1.00 0.00 O ATOM 631 CB LEU A 42 -8.702 -4.501 -8.274 1.00 0.00 C ATOM 632 CG LEU A 42 -9.124 -5.914 -8.674 1.00 0.00 C ATOM 633 CD1 LEU A 42 -10.123 -5.860 -9.816 1.00 0.00 C ATOM 634 CD2 LEU A 42 -7.912 -6.749 -9.067 1.00 0.00 C ATOM 0 H LEU A 42 -7.653 -5.725 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.830 -5.049 -7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.590 -3.944 -7.976 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.290 -4.000 -9.150 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.599 -6.387 -7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.416 -6.873 -10.092 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.004 -5.300 -9.502 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.667 -5.368 -10.675 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.236 -7.751 -9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.406 -6.281 -9.912 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.225 -6.813 -8.223 1.00 0.00 H new ATOM 646 N ASN A 43 -7.205 -2.584 -5.667 1.00 0.00 N ATOM 647 CA ASN A 43 -6.807 -1.248 -5.272 1.00 0.00 C ATOM 648 C ASN A 43 -6.113 -1.308 -3.921 1.00 0.00 C ATOM 649 O ASN A 43 -6.587 -1.970 -2.996 1.00 0.00 O ATOM 650 CB ASN A 43 -8.044 -0.347 -5.237 1.00 0.00 C ATOM 651 CG ASN A 43 -7.964 0.750 -4.203 1.00 0.00 C ATOM 652 OD1 ASN A 43 -8.443 0.457 -3.003 1.00 0.00 O flip ATOM 653 ND2 ASN A 43 -7.456 1.836 -4.465 1.00 0.00 N flip ATOM 0 H ASN A 43 -7.496 -3.174 -4.887 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.103 -0.829 -5.991 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.184 0.102 -6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.924 -0.959 -5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.100 2.019 -5.403 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.390 2.555 -3.745 1.00 0.00 H new ATOM 660 N ARG A 44 -4.981 -0.631 -3.814 1.00 0.00 N ATOM 661 CA ARG A 44 -4.146 -0.733 -2.626 1.00 0.00 C ATOM 662 C ARG A 44 -4.702 0.092 -1.471 1.00 0.00 C ATOM 663 O ARG A 44 -4.211 -0.011 -0.349 1.00 0.00 O ATOM 664 CB ARG A 44 -2.704 -0.311 -2.929 1.00 0.00 C ATOM 665 CG ARG A 44 -1.860 -1.383 -3.610 1.00 0.00 C ATOM 666 CD ARG A 44 -2.339 -1.692 -5.022 1.00 0.00 C ATOM 667 NE ARG A 44 -2.150 -0.561 -5.929 1.00 0.00 N ATOM 668 CZ ARG A 44 -2.451 -0.588 -7.227 1.00 0.00 C ATOM 669 NH1 ARG A 44 -2.966 -1.682 -7.773 1.00 0.00 N ATOM 670 NH2 ARG A 44 -2.223 0.480 -7.976 1.00 0.00 N ATOM 0 H ARG A 44 -4.619 -0.006 -4.534 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.149 -1.780 -2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.724 0.575 -3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.219 -0.024 -1.996 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.821 -1.055 -3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.886 -2.295 -3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.799 -2.558 -5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.395 -1.961 -4.995 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.764 0.302 -5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.134 -2.508 -7.199 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.194 -1.697 -8.767 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.819 1.318 -7.559 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.452 0.464 -8.970 1.00 0.00 H new ATOM 684 N ALA A 45 -5.726 0.897 -1.738 1.00 0.00 N ATOM 685 CA ALA A 45 -6.359 1.678 -0.682 1.00 0.00 C ATOM 686 C ALA A 45 -7.011 0.758 0.341 1.00 0.00 C ATOM 687 O ALA A 45 -6.798 0.911 1.538 1.00 0.00 O ATOM 688 CB ALA A 45 -7.386 2.643 -1.246 1.00 0.00 C ATOM 0 H ALA A 45 -6.131 1.025 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.581 2.263 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.839 3.209 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.899 3.329 -1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.159 2.084 -1.773 1.00 0.00 H new ATOM 694 N CYS A 46 -7.791 -0.211 -0.145 1.00 0.00 N ATOM 695 CA CYS A 46 -8.392 -1.217 0.694 1.00 0.00 C ATOM 696 C CYS A 46 -7.320 -1.900 1.517 1.00 0.00 C ATOM 697 O CYS A 46 -7.392 -2.002 2.743 1.00 0.00 O ATOM 698 CB CYS A 46 -9.029 -2.258 -0.205 1.00 0.00 C ATOM 699 SG CYS A 46 -10.382 -1.664 -1.265 1.00 0.00 S ATOM 0 H CYS A 46 -8.016 -0.309 -1.135 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.128 -0.758 1.354 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -8.254 -2.685 -0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.409 -3.066 0.419 1.00 0.00 H new ATOM 704 N ALA A 47 -6.342 -2.378 0.776 1.00 0.00 N ATOM 705 CA ALA A 47 -5.169 -3.050 1.317 1.00 0.00 C ATOM 706 C ALA A 47 -4.543 -2.303 2.497 1.00 0.00 C ATOM 707 O ALA A 47 -4.554 -2.795 3.636 1.00 0.00 O ATOM 708 CB ALA A 47 -4.156 -3.203 0.203 1.00 0.00 C ATOM 0 H ALA A 47 -6.336 -2.311 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.481 -4.021 1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.267 -3.705 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.588 -3.796 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.882 -2.219 -0.177 1.00 0.00 H new ATOM 714 N TYR A 48 -4.010 -1.119 2.225 1.00 0.00 N ATOM 715 CA TYR A 48 -3.320 -0.342 3.245 1.00 0.00 C ATOM 716 C TYR A 48 -4.266 0.042 4.364 1.00 0.00 C ATOM 717 O TYR A 48 -3.916 -0.100 5.530 1.00 0.00 O ATOM 718 CB TYR A 48 -2.682 0.922 2.662 1.00 0.00 C ATOM 719 CG TYR A 48 -1.254 0.739 2.180 1.00 0.00 C ATOM 720 CD1 TYR A 48 -0.194 0.698 3.085 1.00 0.00 C ATOM 721 CD2 TYR A 48 -0.960 0.635 0.827 1.00 0.00 C ATOM 722 CE1 TYR A 48 1.114 0.563 2.649 1.00 0.00 C ATOM 723 CE2 TYR A 48 0.344 0.496 0.386 1.00 0.00 C ATOM 724 CZ TYR A 48 1.374 0.462 1.302 1.00 0.00 C ATOM 725 OH TYR A 48 2.673 0.339 0.871 1.00 0.00 O ATOM 0 H TYR A 48 -4.042 -0.676 1.307 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.528 -0.976 3.643 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.292 1.271 1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.699 1.706 3.420 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.396 0.773 4.143 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.764 0.663 0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.925 0.537 3.362 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.554 0.415 -0.670 1.00 0.00 H new ATOM 0 HH TYR A 48 2.732 -0.383 0.210 1.00 0.00 H new ATOM 735 N ARG A 49 -5.469 0.493 4.004 1.00 0.00 N ATOM 736 CA ARG A 49 -6.434 0.978 4.987 1.00 0.00 C ATOM 737 C ARG A 49 -6.718 -0.076 6.046 1.00 0.00 C ATOM 738 O ARG A 49 -6.817 0.238 7.233 1.00 0.00 O ATOM 739 CB ARG A 49 -7.746 1.411 4.324 1.00 0.00 C ATOM 740 CG ARG A 49 -8.741 2.016 5.303 1.00 0.00 C ATOM 741 CD ARG A 49 -9.984 2.534 4.598 1.00 0.00 C ATOM 742 NE ARG A 49 -10.715 1.471 3.910 1.00 0.00 N ATOM 743 CZ ARG A 49 -11.738 1.688 3.088 1.00 0.00 C ATOM 744 NH1 ARG A 49 -12.182 2.924 2.879 1.00 0.00 N ATOM 745 NH2 ARG A 49 -12.329 0.668 2.482 1.00 0.00 N ATOM 0 H ARG A 49 -5.796 0.532 3.039 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.986 1.848 5.467 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.528 2.138 3.542 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.202 0.548 3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.027 1.266 6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.265 2.832 5.847 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.640 3.011 5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.698 3.300 3.878 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.423 0.507 4.070 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.738 3.712 3.350 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.967 3.084 2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.999 -0.283 2.646 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.113 0.834 1.852 1.00 0.00 H new ATOM 759 N LYS A 50 -6.822 -1.333 5.640 1.00 0.00 N ATOM 760 CA LYS A 50 -7.120 -2.363 6.602 1.00 0.00 C ATOM 761 C LYS A 50 -5.861 -2.706 7.378 1.00 0.00 C ATOM 762 O LYS A 50 -5.944 -3.110 8.527 1.00 0.00 O ATOM 763 CB LYS A 50 -7.729 -3.612 5.952 1.00 0.00 C ATOM 764 CG LYS A 50 -8.359 -4.549 6.980 1.00 0.00 C ATOM 765 CD LYS A 50 -8.967 -5.788 6.347 1.00 0.00 C ATOM 766 CE LYS A 50 -9.513 -6.740 7.403 1.00 0.00 C ATOM 767 NZ LYS A 50 -9.889 -8.059 6.826 1.00 0.00 N ATOM 0 H LYS A 50 -6.707 -1.651 4.678 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.875 -1.979 7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.485 -3.310 5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.955 -4.147 5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.602 -4.850 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.131 -4.011 7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.769 -5.496 5.669 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.214 -6.300 5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.764 -6.885 8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.385 -6.291 7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.256 -8.676 7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.622 -7.924 6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.052 -8.500 6.394 1.00 0.00 H new ATOM 781 N MET A 51 -4.693 -2.529 6.752 1.00 0.00 N ATOM 782 CA MET A 51 -3.422 -2.658 7.467 1.00 0.00 C ATOM 783 C MET A 51 -3.306 -1.620 8.586 1.00 0.00 C ATOM 784 O MET A 51 -3.001 -1.972 9.725 1.00 0.00 O ATOM 785 CB MET A 51 -2.238 -2.510 6.513 1.00 0.00 C ATOM 786 CG MET A 51 -0.883 -2.602 7.205 1.00 0.00 C ATOM 787 SD MET A 51 0.494 -2.304 6.080 1.00 0.00 S ATOM 788 CE MET A 51 1.882 -2.494 7.196 1.00 0.00 C ATOM 0 H MET A 51 -4.602 -2.299 5.763 1.00 0.00 H new ATOM 0 HA MET A 51 -3.402 -3.655 7.908 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.299 -3.284 5.748 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.311 -1.550 6.002 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.845 -1.878 8.019 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.774 -3.590 7.652 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.812 -2.339 6.649 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.806 -1.761 7.999 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.873 -3.498 7.620 1.00 0.00 H new ATOM 798 N CYS A 52 -3.539 -0.344 8.266 1.00 0.00 N ATOM 799 CA CYS A 52 -3.470 0.714 9.267 1.00 0.00 C ATOM 800 C CYS A 52 -4.635 0.638 10.255 1.00 0.00 C ATOM 801 O CYS A 52 -4.600 1.262 11.319 1.00 0.00 O ATOM 802 CB CYS A 52 -3.385 2.090 8.591 1.00 0.00 C ATOM 803 SG CYS A 52 -4.294 2.237 7.019 1.00 0.00 S ATOM 0 H CYS A 52 -3.775 -0.024 7.327 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.559 0.568 9.848 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.764 2.842 9.283 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -2.336 2.324 8.409 1.00 0.00 H new ATOM 808 N ALA A 53 -5.668 -0.120 9.904 1.00 0.00 N ATOM 809 CA ALA A 53 -6.726 -0.447 10.851 1.00 0.00 C ATOM 810 C ALA A 53 -6.294 -1.614 11.742 1.00 0.00 C ATOM 811 O ALA A 53 -6.419 -1.559 12.967 1.00 0.00 O ATOM 812 CB ALA A 53 -8.018 -0.781 10.119 1.00 0.00 C ATOM 0 H ALA A 53 -5.795 -0.518 8.973 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.909 0.423 11.481 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.795 -1.022 10.844 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.331 0.077 9.524 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.854 -1.637 9.464 1.00 0.00 H new ATOM 818 N THR A 54 -5.780 -2.666 11.113 1.00 0.00 N ATOM 819 CA THR A 54 -5.278 -3.832 11.826 1.00 0.00 C ATOM 820 C THR A 54 -4.271 -4.612 10.963 1.00 0.00 C ATOM 821 O THR A 54 -3.111 -4.759 11.355 1.00 0.00 O ATOM 822 CB THR A 54 -6.435 -4.748 12.318 1.00 0.00 C ATOM 823 OG1 THR A 54 -5.917 -5.970 12.854 1.00 0.00 O ATOM 824 CG2 THR A 54 -7.441 -5.063 11.215 1.00 0.00 C ATOM 0 H THR A 54 -5.700 -2.733 10.098 1.00 0.00 H new ATOM 0 HA THR A 54 -4.754 -3.476 12.713 1.00 0.00 H new ATOM 0 HB THR A 54 -6.959 -4.195 13.098 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.658 -6.533 13.160 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.227 -5.705 11.612 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.881 -4.136 10.848 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.935 -5.574 10.396 1.00 0.00 H new ATOM 832 N ASN A 55 -4.706 -5.058 9.777 1.00 0.00 N ATOM 833 CA ASN A 55 -3.872 -5.794 8.829 1.00 0.00 C ATOM 834 C ASN A 55 -4.761 -6.380 7.739 1.00 0.00 C ATOM 835 O ASN A 55 -5.982 -6.423 7.895 1.00 0.00 O ATOM 836 CB ASN A 55 -3.077 -6.923 9.509 1.00 0.00 C ATOM 837 CG ASN A 55 -3.904 -8.172 9.768 1.00 0.00 C ATOM 838 OD1 ASN A 55 -4.574 -8.288 10.792 1.00 0.00 O ATOM 839 ND2 ASN A 55 -3.832 -9.135 8.855 1.00 0.00 N ATOM 0 H ASN A 55 -5.661 -4.914 9.449 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.149 -5.098 8.404 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.224 -7.184 8.883 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.678 -6.558 10.455 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.343 -10.007 8.992 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.265 -9.002 8.017 1.00 0.00 H new ATOM 846 N ASN A 56 -4.142 -6.827 6.647 1.00 0.00 N ATOM 847 CA ASN A 56 -4.858 -7.431 5.522 1.00 0.00 C ATOM 848 C ASN A 56 -3.894 -7.688 4.383 1.00 0.00 C ATOM 849 O ASN A 56 -3.619 -8.829 4.018 1.00 0.00 O ATOM 850 CB ASN A 56 -5.980 -6.525 5.008 1.00 0.00 C ATOM 851 CG ASN A 56 -6.977 -7.268 4.141 1.00 0.00 C ATOM 852 OD1 ASN A 56 -7.041 -8.493 4.150 1.00 0.00 O ATOM 853 ND2 ASN A 56 -7.801 -6.523 3.423 1.00 0.00 N ATOM 0 H ASN A 56 -3.131 -6.781 6.516 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.297 -8.363 5.879 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.501 -6.081 5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.547 -5.705 4.436 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.521 -6.965 2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.717 -5.507 3.441 1.00 0.00 H new ATOM 860 N LEU A 57 -3.373 -6.602 3.834 1.00 0.00 N ATOM 861 CA LEU A 57 -2.503 -6.677 2.675 1.00 0.00 C ATOM 862 C LEU A 57 -1.126 -7.143 3.082 1.00 0.00 C ATOM 863 O LEU A 57 -0.407 -7.751 2.298 1.00 0.00 O ATOM 864 CB LEU A 57 -2.423 -5.309 1.991 1.00 0.00 C ATOM 865 CG LEU A 57 -1.127 -4.517 2.211 1.00 0.00 C ATOM 866 CD1 LEU A 57 -0.864 -3.579 1.043 1.00 0.00 C ATOM 867 CD2 LEU A 57 -1.200 -3.722 3.501 1.00 0.00 C ATOM 0 H LEU A 57 -3.540 -5.655 4.175 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.917 -7.398 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.559 -5.453 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.259 -4.702 2.339 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.306 -5.230 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.059 -3.028 1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.770 -4.159 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.693 -2.877 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.272 -3.167 3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.036 -3.024 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.345 -4.403 4.340 1.00 0.00 H new ATOM 879 N GLU A 58 -0.806 -6.904 4.337 1.00 0.00 N ATOM 880 CA GLU A 58 0.544 -7.088 4.841 1.00 0.00 C ATOM 881 C GLU A 58 1.029 -8.526 4.701 1.00 0.00 C ATOM 882 O GLU A 58 2.220 -8.783 4.756 1.00 0.00 O ATOM 883 CB GLU A 58 0.658 -6.596 6.295 1.00 0.00 C ATOM 884 CG GLU A 58 -0.565 -6.860 7.167 1.00 0.00 C ATOM 885 CD GLU A 58 -0.922 -8.325 7.274 1.00 0.00 C ATOM 886 OE1 GLU A 58 -0.129 -9.096 7.849 1.00 0.00 O ATOM 887 OE2 GLU A 58 -2.007 -8.703 6.797 1.00 0.00 O ATOM 0 H GLU A 58 -1.472 -6.577 5.037 1.00 0.00 H new ATOM 0 HA GLU A 58 1.202 -6.479 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.523 -7.072 6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.853 -5.524 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.382 -6.465 8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.417 -6.315 6.760 1.00 0.00 H new ATOM 894 N GLN A 59 0.109 -9.453 4.489 1.00 0.00 N ATOM 895 CA GLN A 59 0.462 -10.856 4.350 1.00 0.00 C ATOM 896 C GLN A 59 1.527 -11.076 3.256 1.00 0.00 C ATOM 897 O GLN A 59 2.686 -11.373 3.555 1.00 0.00 O ATOM 898 CB GLN A 59 -0.798 -11.664 4.051 1.00 0.00 C ATOM 899 CG GLN A 59 -1.869 -11.540 5.122 1.00 0.00 C ATOM 900 CD GLN A 59 -3.139 -12.287 4.768 1.00 0.00 C ATOM 901 OE1 GLN A 59 -3.291 -13.463 5.094 1.00 0.00 O ATOM 902 NE2 GLN A 59 -4.066 -11.607 4.112 1.00 0.00 N ATOM 0 H GLN A 59 -0.889 -9.259 4.409 1.00 0.00 H new ATOM 0 HA GLN A 59 0.900 -11.196 5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.211 -11.337 3.097 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.528 -12.714 3.939 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.479 -11.921 6.066 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.103 -10.487 5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.901 -10.633 3.860 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.945 -12.057 3.859 1.00 0.00 H new ATOM 911 N ALA A 60 1.157 -10.849 2.003 1.00 0.00 N ATOM 912 CA ALA A 60 2.034 -11.168 0.875 1.00 0.00 C ATOM 913 C ALA A 60 3.169 -10.176 0.746 1.00 0.00 C ATOM 914 O ALA A 60 4.333 -10.562 0.736 1.00 0.00 O ATOM 915 CB ALA A 60 1.252 -11.209 -0.421 1.00 0.00 C ATOM 0 H ALA A 60 0.258 -10.446 1.738 1.00 0.00 H new ATOM 0 HA ALA A 60 2.459 -12.152 1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.925 -11.448 -1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.476 -11.971 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.791 -10.237 -0.599 1.00 0.00 H new ATOM 921 N MET A 61 2.820 -8.903 0.592 1.00 0.00 N ATOM 922 CA MET A 61 3.820 -7.840 0.550 1.00 0.00 C ATOM 923 C MET A 61 4.903 -7.999 1.630 1.00 0.00 C ATOM 924 O MET A 61 6.085 -7.930 1.303 1.00 0.00 O ATOM 925 CB MET A 61 3.149 -6.457 0.621 1.00 0.00 C ATOM 926 CG MET A 61 2.112 -6.303 1.719 1.00 0.00 C ATOM 927 SD MET A 61 2.777 -5.679 3.272 1.00 0.00 S ATOM 928 CE MET A 61 2.571 -3.911 3.057 1.00 0.00 C ATOM 0 H MET A 61 1.857 -8.582 0.494 1.00 0.00 H new ATOM 0 HA MET A 61 4.334 -7.923 -0.408 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.922 -5.702 0.763 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.674 -6.250 -0.338 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.329 -5.628 1.373 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.642 -7.270 1.899 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.549 -3.441 2.951 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.977 -3.720 2.163 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.061 -3.496 3.926 1.00 0.00 H new ATOM 938 N SER A 62 4.530 -8.252 2.893 1.00 0.00 N ATOM 939 CA SER A 62 5.545 -8.384 3.951 1.00 0.00 C ATOM 940 C SER A 62 6.326 -9.694 3.819 1.00 0.00 C ATOM 941 O SER A 62 7.460 -9.791 4.283 1.00 0.00 O ATOM 942 CB SER A 62 4.933 -8.276 5.349 1.00 0.00 C ATOM 943 OG SER A 62 4.312 -7.014 5.545 1.00 0.00 O ATOM 0 H SER A 62 3.565 -8.367 3.202 1.00 0.00 H new ATOM 0 HA SER A 62 6.238 -7.553 3.821 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.200 -9.070 5.489 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.709 -8.422 6.100 1.00 0.00 H new ATOM 0 HG SER A 62 3.655 -6.859 4.834 1.00 0.00 H new ATOM 949 N VAL A 63 5.719 -10.714 3.216 1.00 0.00 N ATOM 950 CA VAL A 63 6.460 -11.927 2.875 1.00 0.00 C ATOM 951 C VAL A 63 7.497 -11.625 1.788 1.00 0.00 C ATOM 952 O VAL A 63 8.629 -12.111 1.835 1.00 0.00 O ATOM 953 CB VAL A 63 5.520 -13.061 2.390 1.00 0.00 C ATOM 954 CG1 VAL A 63 6.313 -14.212 1.792 1.00 0.00 C ATOM 955 CG2 VAL A 63 4.651 -13.567 3.533 1.00 0.00 C ATOM 0 H VAL A 63 4.733 -10.727 2.957 1.00 0.00 H new ATOM 0 HA VAL A 63 6.961 -12.267 3.781 1.00 0.00 H new ATOM 0 HB VAL A 63 4.876 -12.647 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.628 -14.992 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.892 -13.852 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.989 -14.618 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.999 -14.362 3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.287 -13.954 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.044 -12.748 3.919 1.00 0.00 H new ATOM 965 N TYR A 64 7.101 -10.804 0.824 1.00 0.00 N ATOM 966 CA TYR A 64 7.951 -10.474 -0.308 1.00 0.00 C ATOM 967 C TYR A 64 9.091 -9.535 0.074 1.00 0.00 C ATOM 968 O TYR A 64 10.254 -9.942 0.063 1.00 0.00 O ATOM 969 CB TYR A 64 7.116 -9.875 -1.438 1.00 0.00 C ATOM 970 CG TYR A 64 6.602 -10.908 -2.417 1.00 0.00 C ATOM 971 CD1 TYR A 64 6.579 -12.257 -2.086 1.00 0.00 C ATOM 972 CD2 TYR A 64 6.150 -10.534 -3.675 1.00 0.00 C ATOM 973 CE1 TYR A 64 6.123 -13.203 -2.982 1.00 0.00 C ATOM 974 CE2 TYR A 64 5.687 -11.475 -4.576 1.00 0.00 C ATOM 975 CZ TYR A 64 5.678 -12.808 -4.224 1.00 0.00 C ATOM 976 OH TYR A 64 5.219 -13.751 -5.116 1.00 0.00 O ATOM 0 H TYR A 64 6.187 -10.352 0.806 1.00 0.00 H new ATOM 0 HA TYR A 64 8.408 -11.402 -0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.270 -9.338 -1.009 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.718 -9.143 -1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.924 -12.571 -1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.160 -9.491 -3.955 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.115 -14.248 -2.710 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.335 -11.168 -5.550 1.00 0.00 H new ATOM 0 HH TYR A 64 4.941 -13.309 -5.945 1.00 0.00 H new ATOM 986 N PHE A 65 8.776 -8.290 0.422 1.00 0.00 N ATOM 987 CA PHE A 65 9.822 -7.313 0.717 1.00 0.00 C ATOM 988 C PHE A 65 10.377 -7.496 2.121 1.00 0.00 C ATOM 989 O PHE A 65 10.024 -8.434 2.838 1.00 0.00 O ATOM 990 CB PHE A 65 9.338 -5.861 0.532 1.00 0.00 C ATOM 991 CG PHE A 65 8.052 -5.521 1.220 1.00 0.00 C ATOM 992 CD1 PHE A 65 7.917 -5.672 2.587 1.00 0.00 C ATOM 993 CD2 PHE A 65 6.982 -5.035 0.492 1.00 0.00 C ATOM 994 CE1 PHE A 65 6.737 -5.353 3.215 1.00 0.00 C ATOM 995 CE2 PHE A 65 5.798 -4.709 1.116 1.00 0.00 C ATOM 996 CZ PHE A 65 5.681 -4.867 2.480 1.00 0.00 C ATOM 0 H PHE A 65 7.823 -7.937 0.506 1.00 0.00 H new ATOM 0 HA PHE A 65 10.619 -7.496 -0.004 1.00 0.00 H new ATOM 0 HB2 PHE A 65 10.114 -5.188 0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.222 -5.667 -0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.748 -6.045 3.168 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.075 -4.910 -0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.639 -5.484 4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.966 -4.332 0.540 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.756 -4.608 2.974 1.00 0.00 H new ATOM 1006 N THR A 66 11.255 -6.590 2.496 1.00 0.00 N ATOM 1007 CA THR A 66 11.862 -6.612 3.812 1.00 0.00 C ATOM 1008 C THR A 66 11.281 -5.517 4.708 1.00 0.00 C ATOM 1009 O THR A 66 10.426 -4.740 4.275 1.00 0.00 O ATOM 1010 CB THR A 66 13.388 -6.439 3.709 1.00 0.00 C ATOM 1011 OG1 THR A 66 13.695 -5.249 2.969 1.00 0.00 O ATOM 1012 CG2 THR A 66 14.023 -7.643 3.031 1.00 0.00 C ATOM 0 H THR A 66 11.567 -5.822 1.902 1.00 0.00 H new ATOM 0 HA THR A 66 11.641 -7.581 4.259 1.00 0.00 H new ATOM 0 HB THR A 66 13.793 -6.355 4.717 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.612 -5.430 2.009 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.102 -7.499 2.969 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.810 -8.541 3.610 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.613 -7.753 2.027 1.00 0.00 H new ATOM 1020 N ASN A 67 11.757 -5.445 5.944 1.00 0.00 N ATOM 1021 CA ASN A 67 11.256 -4.473 6.910 1.00 0.00 C ATOM 1022 C ASN A 67 11.574 -3.047 6.455 1.00 0.00 C ATOM 1023 O ASN A 67 10.679 -2.207 6.318 1.00 0.00 O ATOM 1024 CB ASN A 67 11.867 -4.755 8.287 1.00 0.00 C ATOM 1025 CG ASN A 67 11.423 -3.775 9.357 1.00 0.00 C ATOM 1026 OD1 ASN A 67 10.324 -3.224 9.304 1.00 0.00 O ATOM 1027 ND2 ASN A 67 12.277 -3.562 10.344 1.00 0.00 N ATOM 0 H ASN A 67 12.494 -6.052 6.304 1.00 0.00 H new ATOM 0 HA ASN A 67 10.172 -4.566 6.980 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.597 -5.765 8.596 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.954 -4.726 8.207 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.034 -2.921 11.099 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.178 -4.039 10.350 1.00 0.00 H new ATOM 1034 N GLU A 68 12.848 -2.793 6.178 1.00 0.00 N ATOM 1035 CA GLU A 68 13.284 -1.485 5.712 1.00 0.00 C ATOM 1036 C GLU A 68 12.655 -1.156 4.362 1.00 0.00 C ATOM 1037 O GLU A 68 12.421 0.011 4.038 1.00 0.00 O ATOM 1038 CB GLU A 68 14.803 -1.460 5.593 1.00 0.00 C ATOM 1039 CG GLU A 68 15.378 -2.762 5.068 1.00 0.00 C ATOM 1040 CD GLU A 68 16.752 -2.591 4.463 1.00 0.00 C ATOM 1041 OE1 GLU A 68 17.750 -2.661 5.208 1.00 0.00 O ATOM 1042 OE2 GLU A 68 16.842 -2.381 3.235 1.00 0.00 O ATOM 0 H GLU A 68 13.598 -3.479 6.269 1.00 0.00 H new ATOM 0 HA GLU A 68 12.964 -0.735 6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.097 -0.646 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.235 -1.246 6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.431 -3.485 5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.704 -3.176 4.318 1.00 0.00 H new ATOM 1049 N GLN A 69 12.383 -2.199 3.586 1.00 0.00 N ATOM 1050 CA GLN A 69 11.767 -2.050 2.278 1.00 0.00 C ATOM 1051 C GLN A 69 10.404 -1.389 2.396 1.00 0.00 C ATOM 1052 O GLN A 69 10.093 -0.471 1.650 1.00 0.00 O ATOM 1053 CB GLN A 69 11.610 -3.414 1.607 1.00 0.00 C ATOM 1054 CG GLN A 69 12.179 -3.483 0.199 1.00 0.00 C ATOM 1055 CD GLN A 69 11.375 -2.683 -0.810 1.00 0.00 C ATOM 1056 OE1 GLN A 69 11.916 -2.165 -1.780 1.00 0.00 O ATOM 1057 NE2 GLN A 69 10.070 -2.598 -0.612 1.00 0.00 N ATOM 0 H GLN A 69 12.583 -3.165 3.846 1.00 0.00 H new ATOM 0 HA GLN A 69 12.416 -1.419 1.671 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.100 -4.168 2.223 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.551 -3.670 1.572 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.205 -3.115 0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.217 -4.525 -0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.648 -3.040 0.205 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.485 -2.091 -1.276 1.00 0.00 H new ATOM 1066 N ILE A 70 9.589 -1.849 3.336 1.00 0.00 N ATOM 1067 CA ILE A 70 8.240 -1.325 3.451 1.00 0.00 C ATOM 1068 C ILE A 70 8.196 -0.029 4.255 1.00 0.00 C ATOM 1069 O ILE A 70 7.265 0.752 4.112 1.00 0.00 O ATOM 1070 CB ILE A 70 7.243 -2.366 4.008 1.00 0.00 C ATOM 1071 CG1 ILE A 70 5.819 -1.806 4.000 1.00 0.00 C ATOM 1072 CG2 ILE A 70 7.627 -2.839 5.403 1.00 0.00 C ATOM 1073 CD1 ILE A 70 5.386 -1.303 2.639 1.00 0.00 C ATOM 0 H ILE A 70 9.834 -2.569 4.016 1.00 0.00 H new ATOM 0 HA ILE A 70 7.919 -1.092 2.436 1.00 0.00 H new ATOM 0 HB ILE A 70 7.283 -3.235 3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.128 -2.582 4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.752 -0.991 4.720 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.898 -3.569 5.753 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.615 -3.299 5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.644 -1.988 6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.368 -0.919 2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.056 -0.506 2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.423 -2.121 1.920 1.00 0.00 H new ATOM 1085 N LYS A 71 9.198 0.224 5.083 1.00 0.00 N ATOM 1086 CA LYS A 71 9.346 1.560 5.652 1.00 0.00 C ATOM 1087 C LYS A 71 9.528 2.544 4.504 1.00 0.00 C ATOM 1088 O LYS A 71 8.930 3.635 4.465 1.00 0.00 O ATOM 1089 CB LYS A 71 10.543 1.630 6.599 1.00 0.00 C ATOM 1090 CG LYS A 71 10.463 0.645 7.753 1.00 0.00 C ATOM 1091 CD LYS A 71 11.588 0.866 8.750 1.00 0.00 C ATOM 1092 CE LYS A 71 11.532 -0.137 9.892 1.00 0.00 C ATOM 1093 NZ LYS A 71 12.548 0.156 10.938 1.00 0.00 N ATOM 0 H LYS A 71 9.903 -0.454 5.371 1.00 0.00 H new ATOM 0 HA LYS A 71 8.457 1.808 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.455 1.441 6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.620 2.641 7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.502 0.750 8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.511 -0.374 7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.548 0.784 8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.526 1.878 9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.538 -0.124 10.338 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.693 -1.142 9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.477 -0.550 11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.499 0.119 10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.379 1.105 11.330 1.00 0.00 H new ATOM 1107 N GLU A 72 10.328 2.105 3.541 1.00 0.00 N ATOM 1108 CA GLU A 72 10.564 2.855 2.331 1.00 0.00 C ATOM 1109 C GLU A 72 9.254 3.088 1.593 1.00 0.00 C ATOM 1110 O GLU A 72 8.904 4.228 1.321 1.00 0.00 O ATOM 1111 CB GLU A 72 11.566 2.118 1.456 1.00 0.00 C ATOM 1112 CG GLU A 72 12.022 2.886 0.230 1.00 0.00 C ATOM 1113 CD GLU A 72 13.133 2.166 -0.503 1.00 0.00 C ATOM 1114 OE1 GLU A 72 14.301 2.278 -0.070 1.00 0.00 O ATOM 1115 OE2 GLU A 72 12.849 1.476 -1.500 1.00 0.00 O ATOM 0 H GLU A 72 10.828 1.217 3.584 1.00 0.00 H new ATOM 0 HA GLU A 72 10.982 3.829 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.440 1.869 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.123 1.176 1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.177 3.031 -0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.366 3.876 0.528 1.00 0.00 H new ATOM 1122 N ILE A 73 8.498 2.015 1.316 1.00 0.00 N ATOM 1123 CA ILE A 73 7.225 2.164 0.600 1.00 0.00 C ATOM 1124 C ILE A 73 6.174 2.815 1.489 1.00 0.00 C ATOM 1125 O ILE A 73 5.118 3.205 1.011 1.00 0.00 O ATOM 1126 CB ILE A 73 6.645 0.843 0.023 1.00 0.00 C ATOM 1127 CG1 ILE A 73 7.684 -0.261 0.033 1.00 0.00 C ATOM 1128 CG2 ILE A 73 6.141 1.076 -1.394 1.00 0.00 C ATOM 1129 CD1 ILE A 73 7.233 -1.560 -0.590 1.00 0.00 C ATOM 0 H ILE A 73 8.739 1.057 1.570 1.00 0.00 H new ATOM 0 HA ILE A 73 7.464 2.801 -0.251 1.00 0.00 H new ATOM 0 HB ILE A 73 5.814 0.529 0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.571 0.090 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.980 -0.452 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.736 0.146 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.361 1.837 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.966 1.412 -2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.042 -2.289 -0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.366 -1.940 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.966 -1.390 -1.633 1.00 0.00 H new ATOM 1141 N HIS A 74 6.461 2.925 2.779 1.00 0.00 N ATOM 1142 CA HIS A 74 5.609 3.692 3.676 1.00 0.00 C ATOM 1143 C HIS A 74 5.620 5.148 3.247 1.00 0.00 C ATOM 1144 O HIS A 74 4.592 5.695 2.860 1.00 0.00 O ATOM 1145 CB HIS A 74 6.068 3.568 5.139 1.00 0.00 C ATOM 1146 CG HIS A 74 5.369 4.510 6.078 1.00 0.00 C ATOM 1147 ND1 HIS A 74 5.927 5.697 6.507 1.00 0.00 N ATOM 1148 CD2 HIS A 74 4.150 4.440 6.662 1.00 0.00 C ATOM 1149 CE1 HIS A 74 5.083 6.311 7.313 1.00 0.00 C ATOM 1150 NE2 HIS A 74 3.994 5.573 7.424 1.00 0.00 N ATOM 0 H HIS A 74 7.272 2.496 3.225 1.00 0.00 H new ATOM 0 HA HIS A 74 4.597 3.292 3.617 1.00 0.00 H new ATOM 0 HB2 HIS A 74 5.902 2.545 5.476 1.00 0.00 H new ATOM 0 HB3 HIS A 74 7.141 3.750 5.189 1.00 0.00 H new ATOM 0 HD1 HIS A 74 6.848 6.045 6.242 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.432 3.641 6.550 1.00 0.00 H new ATOM 0 HE1 HIS A 74 5.254 7.259 7.801 1.00 0.00 H new ATOM 1159 N ASP A 75 6.792 5.768 3.267 1.00 0.00 N ATOM 1160 CA ASP A 75 6.889 7.164 2.904 1.00 0.00 C ATOM 1161 C ASP A 75 6.807 7.298 1.397 1.00 0.00 C ATOM 1162 O ASP A 75 6.390 8.330 0.862 1.00 0.00 O ATOM 1163 CB ASP A 75 8.179 7.756 3.458 1.00 0.00 C ATOM 1164 CG ASP A 75 8.080 8.005 4.952 1.00 0.00 C ATOM 1165 OD1 ASP A 75 8.109 7.026 5.731 1.00 0.00 O ATOM 1166 OD2 ASP A 75 7.936 9.181 5.351 1.00 0.00 O ATOM 0 H ASP A 75 7.675 5.329 3.528 1.00 0.00 H new ATOM 0 HA ASP A 75 6.060 7.723 3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.008 7.078 3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.400 8.692 2.946 1.00 0.00 H new ATOM 1171 N ALA A 76 7.161 6.217 0.723 1.00 0.00 N ATOM 1172 CA ALA A 76 7.058 6.138 -0.715 1.00 0.00 C ATOM 1173 C ALA A 76 5.606 6.149 -1.169 1.00 0.00 C ATOM 1174 O ALA A 76 5.273 6.787 -2.135 1.00 0.00 O ATOM 1175 CB ALA A 76 7.748 4.896 -1.235 1.00 0.00 C ATOM 0 H ALA A 76 7.527 5.372 1.162 1.00 0.00 H new ATOM 0 HA ALA A 76 7.553 7.018 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.658 4.857 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.802 4.923 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.282 4.012 -0.800 1.00 0.00 H new ATOM 1181 N ALA A 77 4.734 5.440 -0.491 1.00 0.00 N ATOM 1182 CA ALA A 77 3.342 5.401 -0.922 1.00 0.00 C ATOM 1183 C ALA A 77 2.502 6.492 -0.266 1.00 0.00 C ATOM 1184 O ALA A 77 1.405 6.790 -0.728 1.00 0.00 O ATOM 1185 CB ALA A 77 2.737 4.033 -0.687 1.00 0.00 C ATOM 0 H ALA A 77 4.948 4.892 0.342 1.00 0.00 H new ATOM 0 HA ALA A 77 3.336 5.597 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.698 4.033 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.297 3.286 -1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.780 3.794 0.376 1.00 0.00 H new ATOM 1191 N THR A 78 3.009 7.097 0.798 1.00 0.00 N ATOM 1192 CA THR A 78 2.323 8.225 1.408 1.00 0.00 C ATOM 1193 C THR A 78 2.559 9.496 0.596 1.00 0.00 C ATOM 1194 O THR A 78 1.618 10.198 0.214 1.00 0.00 O ATOM 1195 CB THR A 78 2.781 8.444 2.866 1.00 0.00 C ATOM 1196 OG1 THR A 78 2.450 7.301 3.661 1.00 0.00 O ATOM 1197 CG2 THR A 78 2.131 9.684 3.466 1.00 0.00 C ATOM 0 H THR A 78 3.882 6.830 1.252 1.00 0.00 H new ATOM 0 HA THR A 78 1.257 7.995 1.416 1.00 0.00 H new ATOM 0 HB THR A 78 3.862 8.587 2.860 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.504 7.079 3.536 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.472 9.813 4.493 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.408 10.560 2.879 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.047 9.568 3.456 1.00 0.00 H new ATOM 1205 N ALA A 79 3.824 9.789 0.334 1.00 0.00 N ATOM 1206 CA ALA A 79 4.195 10.980 -0.412 1.00 0.00 C ATOM 1207 C ALA A 79 4.440 10.669 -1.880 1.00 0.00 C ATOM 1208 O ALA A 79 4.744 11.568 -2.664 1.00 0.00 O ATOM 1209 CB ALA A 79 5.432 11.620 0.184 1.00 0.00 C ATOM 0 H ALA A 79 4.614 9.215 0.629 1.00 0.00 H new ATOM 0 HA ALA A 79 3.359 11.676 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.693 12.510 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.234 11.900 1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.260 10.912 0.151 1.00 0.00 H new ATOM 1215 N CYS A 80 4.342 9.383 -2.230 1.00 0.00 N ATOM 1216 CA CYS A 80 4.789 8.887 -3.520 1.00 0.00 C ATOM 1217 C CYS A 80 6.239 9.277 -3.701 1.00 0.00 C ATOM 1218 O CYS A 80 6.645 9.871 -4.698 1.00 0.00 O ATOM 1219 CB CYS A 80 3.895 9.283 -4.701 1.00 0.00 C ATOM 1220 SG CYS A 80 2.593 10.527 -4.381 1.00 0.00 S ATOM 0 H CYS A 80 3.950 8.663 -1.623 1.00 0.00 H new ATOM 0 HA CYS A 80 4.703 7.800 -3.518 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.535 9.661 -5.498 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.415 8.380 -5.079 1.00 0.00 H new ATOM 1225 N ASP A 81 7.011 8.902 -2.685 1.00 0.00 N ATOM 1226 CA ASP A 81 8.383 9.333 -2.535 1.00 0.00 C ATOM 1227 C ASP A 81 9.245 8.197 -1.991 1.00 0.00 C ATOM 1228 O ASP A 81 9.501 8.135 -0.792 1.00 0.00 O ATOM 1229 CB ASP A 81 8.431 10.494 -1.548 1.00 0.00 C ATOM 1230 CG ASP A 81 9.530 11.483 -1.870 1.00 0.00 C ATOM 1231 OD1 ASP A 81 10.516 11.096 -2.537 1.00 0.00 O ATOM 1232 OD2 ASP A 81 9.407 12.660 -1.473 1.00 0.00 O ATOM 0 H ASP A 81 6.691 8.284 -1.939 1.00 0.00 H new ATOM 0 HA ASP A 81 8.765 9.637 -3.510 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.471 11.009 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.581 10.105 -0.541 1.00 0.00 H new ATOM 1237 N PRO A 82 9.677 7.265 -2.849 1.00 0.00 N ATOM 1238 CA PRO A 82 10.559 6.153 -2.444 1.00 0.00 C ATOM 1239 C PRO A 82 11.923 6.638 -1.977 1.00 0.00 C ATOM 1240 O PRO A 82 12.677 5.909 -1.332 1.00 0.00 O ATOM 1241 CB PRO A 82 10.674 5.320 -3.721 1.00 0.00 C ATOM 1242 CG PRO A 82 9.473 5.711 -4.509 1.00 0.00 C ATOM 1243 CD PRO A 82 9.324 7.172 -4.265 1.00 0.00 C ATOM 0 HA PRO A 82 10.163 5.595 -1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.595 5.540 -4.260 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.679 4.252 -3.503 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.608 5.498 -5.569 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.589 5.162 -4.183 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.989 7.763 -4.894 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.309 7.520 -4.459 1.00 0.00 H new ATOM 1251 N GLU A 83 12.226 7.877 -2.314 1.00 0.00 N ATOM 1252 CA GLU A 83 13.401 8.539 -1.782 1.00 0.00 C ATOM 1253 C GLU A 83 13.025 9.193 -0.473 1.00 0.00 C ATOM 1254 O GLU A 83 13.664 8.978 0.558 1.00 0.00 O ATOM 1255 CB GLU A 83 13.929 9.597 -2.753 1.00 0.00 C ATOM 1256 CG GLU A 83 14.640 9.019 -3.959 1.00 0.00 C ATOM 1257 CD GLU A 83 15.900 8.275 -3.581 1.00 0.00 C ATOM 1258 OE1 GLU A 83 16.861 8.922 -3.116 1.00 0.00 O ATOM 1259 OE2 GLU A 83 15.942 7.042 -3.757 1.00 0.00 O ATOM 0 H GLU A 83 11.673 8.446 -2.955 1.00 0.00 H new ATOM 0 HA GLU A 83 14.190 7.802 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.096 10.212 -3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.614 10.256 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.966 8.343 -4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.890 9.824 -4.651 1.00 0.00 H new ATOM 1266 N ALA A 84 11.951 9.977 -0.554 1.00 0.00 N ATOM 1267 CA ALA A 84 11.353 10.672 0.573 1.00 0.00 C ATOM 1268 C ALA A 84 12.296 11.720 1.142 1.00 0.00 C ATOM 1269 O ALA A 84 12.118 12.915 0.909 1.00 0.00 O ATOM 1270 CB ALA A 84 10.899 9.691 1.653 1.00 0.00 C ATOM 0 H ALA A 84 11.463 10.148 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 84 10.468 11.191 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.456 10.242 2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.160 9.007 1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 84 11.757 9.123 2.012 1.00 0.00 H new ATOM 1276 N HIS A 85 13.316 11.238 1.837 1.00 0.00 N ATOM 1277 CA HIS A 85 14.266 12.045 2.583 1.00 0.00 C ATOM 1278 C HIS A 85 14.937 11.108 3.571 1.00 0.00 C ATOM 1279 O HIS A 85 16.151 10.935 3.565 1.00 0.00 O ATOM 1280 CB HIS A 85 13.565 13.184 3.329 1.00 0.00 C ATOM 1281 CG HIS A 85 14.044 14.550 2.949 1.00 0.00 C ATOM 1282 ND1 HIS A 85 14.655 15.402 3.837 1.00 0.00 N ATOM 1283 CD2 HIS A 85 13.977 15.223 1.775 1.00 0.00 C ATOM 1284 CE1 HIS A 85 14.942 16.537 3.232 1.00 0.00 C ATOM 1285 NE2 HIS A 85 14.542 16.455 1.979 1.00 0.00 N ATOM 0 H HIS A 85 13.510 10.239 1.898 1.00 0.00 H new ATOM 0 HA HIS A 85 14.988 12.507 1.910 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.493 13.121 3.141 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.709 13.045 4.400 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.556 14.857 0.850 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.424 17.390 3.686 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.637 17.188 1.276 1.00 0.00 H new ATOM 1294 N HIS A 86 14.094 10.506 4.404 1.00 0.00 N ATOM 1295 CA HIS A 86 14.441 9.375 5.260 1.00 0.00 C ATOM 1296 C HIS A 86 13.146 8.692 5.679 1.00 0.00 C ATOM 1297 O HIS A 86 12.274 9.333 6.264 1.00 0.00 O ATOM 1298 CB HIS A 86 15.222 9.810 6.508 1.00 0.00 C ATOM 1299 CG HIS A 86 16.689 10.002 6.276 1.00 0.00 C ATOM 1300 ND1 HIS A 86 17.385 11.097 6.729 1.00 0.00 N ATOM 1301 CD2 HIS A 86 17.590 9.230 5.622 1.00 0.00 C ATOM 1302 CE1 HIS A 86 18.648 10.994 6.363 1.00 0.00 C ATOM 1303 NE2 HIS A 86 18.802 9.873 5.689 1.00 0.00 N ATOM 0 H HIS A 86 13.122 10.799 4.506 1.00 0.00 H new ATOM 0 HA HIS A 86 15.086 8.697 4.701 1.00 0.00 H new ATOM 0 HB2 HIS A 86 14.799 10.743 6.881 1.00 0.00 H new ATOM 0 HB3 HIS A 86 15.083 9.062 7.289 1.00 0.00 H new ATOM 0 HD2 HIS A 86 17.392 8.285 5.138 1.00 0.00 H new ATOM 0 HE1 HIS A 86 19.427 11.710 6.580 1.00 0.00 H new ATOM 0 HE2 HIS A 86 19.676 9.538 5.284 1.00 0.00 H new ATOM 1312 N GLU A 87 13.002 7.411 5.347 1.00 0.00 N ATOM 1313 CA GLU A 87 11.783 6.677 5.679 1.00 0.00 C ATOM 1314 C GLU A 87 11.681 6.425 7.183 1.00 0.00 C ATOM 1315 O GLU A 87 11.104 7.236 7.905 1.00 0.00 O ATOM 1316 CB GLU A 87 11.671 5.360 4.887 1.00 0.00 C ATOM 1317 CG GLU A 87 12.975 4.826 4.296 1.00 0.00 C ATOM 1318 CD GLU A 87 14.011 4.441 5.332 1.00 0.00 C ATOM 1319 OE1 GLU A 87 13.716 3.585 6.195 1.00 0.00 O ATOM 1320 OE2 GLU A 87 15.127 4.989 5.285 1.00 0.00 O ATOM 0 H GLU A 87 13.707 6.864 4.853 1.00 0.00 H new ATOM 0 HA GLU A 87 10.941 7.304 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.253 4.597 5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.959 5.506 4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.752 3.955 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.400 5.583 3.637 1.00 0.00 H new ATOM 1327 N HIS A 88 12.249 5.311 7.644 1.00 0.00 N ATOM 1328 CA HIS A 88 12.276 4.971 9.064 1.00 0.00 C ATOM 1329 C HIS A 88 10.871 5.025 9.662 1.00 0.00 C ATOM 1330 O HIS A 88 10.498 6.023 10.277 1.00 0.00 O ATOM 1331 CB HIS A 88 13.217 5.923 9.810 1.00 0.00 C ATOM 1332 CG HIS A 88 13.747 5.367 11.091 1.00 0.00 C ATOM 1333 ND1 HIS A 88 14.735 4.411 11.134 1.00 0.00 N ATOM 1334 CD2 HIS A 88 13.425 5.633 12.379 1.00 0.00 C ATOM 1335 CE1 HIS A 88 15.000 4.110 12.389 1.00 0.00 C ATOM 1336 NE2 HIS A 88 14.221 4.838 13.165 1.00 0.00 N ATOM 0 H HIS A 88 12.702 4.621 7.044 1.00 0.00 H new ATOM 0 HA HIS A 88 12.647 3.952 9.172 1.00 0.00 H new ATOM 0 HB2 HIS A 88 14.055 6.174 9.160 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.687 6.852 10.020 1.00 0.00 H new ATOM 0 HD2 HIS A 88 12.682 6.338 12.723 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.731 3.390 12.725 1.00 0.00 H new ATOM 0 HE2 HIS A 88 14.212 4.814 14.185 1.00 0.00 H new ATOM 1345 N ASP A 89 10.116 3.937 9.479 1.00 0.00 N ATOM 1346 CA ASP A 89 8.698 3.869 9.866 1.00 0.00 C ATOM 1347 C ASP A 89 8.430 4.533 11.212 1.00 0.00 C ATOM 1348 O ASP A 89 9.099 4.248 12.210 1.00 0.00 O ATOM 1349 CB ASP A 89 8.221 2.416 9.905 1.00 0.00 C ATOM 1350 CG ASP A 89 6.760 2.306 10.292 1.00 0.00 C ATOM 1351 OD1 ASP A 89 5.899 2.701 9.478 1.00 0.00 O ATOM 1352 OD2 ASP A 89 6.471 1.822 11.403 1.00 0.00 O ATOM 0 H ASP A 89 10.468 3.077 9.059 1.00 0.00 H new ATOM 0 HA ASP A 89 8.139 4.418 9.108 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.372 1.959 8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.827 1.855 10.616 1.00 0.00 H new ATOM 1357 N HIS A 90 7.447 5.422 11.219 1.00 0.00 N ATOM 1358 CA HIS A 90 7.134 6.227 12.387 1.00 0.00 C ATOM 1359 C HIS A 90 5.632 6.477 12.477 1.00 0.00 C ATOM 1360 O HIS A 90 5.189 7.602 12.180 1.00 0.00 O ATOM 1361 CB HIS A 90 7.912 7.557 12.351 1.00 0.00 C ATOM 1362 CG HIS A 90 7.877 8.269 11.025 1.00 0.00 C ATOM 1363 ND1 HIS A 90 8.812 8.055 10.038 1.00 0.00 N ATOM 1364 CD2 HIS A 90 7.020 9.190 10.529 1.00 0.00 C ATOM 1365 CE1 HIS A 90 8.532 8.810 8.996 1.00 0.00 C ATOM 1366 NE2 HIS A 90 7.448 9.510 9.265 1.00 0.00 N ATOM 1367 OXT HIS A 90 4.900 5.534 12.829 1.00 0.00 O ATOM 0 H HIS A 90 6.846 5.604 10.415 1.00 0.00 H new ATOM 0 HA HIS A 90 7.441 5.679 13.278 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.507 8.220 13.115 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.951 7.362 12.616 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.600 7.411 10.103 1.00 0.00 H new ATOM 0 HD2 HIS A 90 6.157 9.599 11.035 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.096 8.849 8.076 1.00 0.00 H new TER 1376 HIS A 90