USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0571) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.27 (180deg=0.909) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.536 X(o=-0.54,f=-0.048) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.901 (180deg=-1.23) USER MOD Single : A 22 HIS : no HD1:sc= -0.0549 X(o=-0.055,f=-0.0065) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -110:sc= -0.293 USER MOD Single : A 33 ASN : amide:sc= -0.0162 K(o=-0.016,f=-4.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0518 K(o=-0.052,f=-0.76) USER MOD Single : A 47 THR OG1 : rot 80:sc= 0.826 USER MOD Single : A 52 TYR OH : rot 25:sc= 0.124 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.136 USER MOD Single : A 65 GLN : amide:sc=-0.00188 X(o=-0.0019,f=-0.0019) USER MOD Single : A 66 THR OG1 : rot -66:sc= 0.837 USER MOD Single : A 69 THR OG1 : rot 39:sc= 0.983 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.24 X(o=-0.24,f=-0.13) USER MOD Single : A 80 LYS NZ :NH3+ 177:sc= 0.591 (180deg=0.586) USER MOD Single : A 82 SER OG : rot 93:sc= 0.238 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.243 -7.461 -5.140 1.00 0.00 N ATOM 2 CA MET A 1 -6.772 -7.315 -5.078 1.00 0.00 C ATOM 3 C MET A 1 -6.127 -8.629 -4.638 1.00 0.00 C ATOM 4 O MET A 1 -6.699 -9.369 -3.837 1.00 0.00 O ATOM 5 CB MET A 1 -6.369 -6.162 -4.121 1.00 0.00 C ATOM 6 CG MET A 1 -6.706 -4.763 -4.654 1.00 0.00 C ATOM 7 SD MET A 1 -8.475 -4.492 -4.883 1.00 0.00 S ATOM 8 CE MET A 1 -9.046 -4.364 -3.188 1.00 0.00 C ATOM 0 H1 MET A 1 -8.682 -6.522 -5.222 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.500 -8.037 -5.967 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.582 -7.927 -4.274 1.00 0.00 H new ATOM 0 HA MET A 1 -6.411 -7.066 -6.076 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.871 -6.306 -3.164 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.297 -6.219 -3.931 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.318 -4.015 -3.962 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.196 -4.612 -5.606 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.091 -4.056 -3.179 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.949 -5.332 -2.697 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.445 -3.626 -2.656 1.00 0.00 H new ATOM 18 N GLN A 2 -4.935 -8.910 -5.180 1.00 0.00 N ATOM 19 CA GLN A 2 -4.154 -10.117 -4.849 1.00 0.00 C ATOM 20 C GLN A 2 -3.114 -9.745 -3.794 1.00 0.00 C ATOM 21 O GLN A 2 -2.879 -10.467 -2.820 1.00 0.00 O ATOM 22 CB GLN A 2 -3.439 -10.687 -6.125 1.00 0.00 C ATOM 23 CG GLN A 2 -4.111 -10.370 -7.484 1.00 0.00 C ATOM 24 CD GLN A 2 -5.407 -11.137 -7.830 1.00 0.00 C ATOM 25 OE1 GLN A 2 -6.225 -11.509 -6.857 1.00 0.00 O flip ATOM 26 NE2 GLN A 2 -5.682 -11.378 -9.004 1.00 0.00 N flip ATOM 0 H GLN A 2 -4.480 -8.306 -5.864 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.823 -10.888 -4.467 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.420 -10.301 -6.148 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.367 -11.770 -6.023 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.333 -9.303 -7.510 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.384 -10.563 -8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.046 -11.088 -9.747 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.546 -11.868 -9.235 1.00 0.00 H new ATOM 35 N HIS A 3 -2.519 -8.572 -4.018 1.00 0.00 N ATOM 36 CA HIS A 3 -1.342 -8.104 -3.296 1.00 0.00 C ATOM 37 C HIS A 3 -1.692 -7.458 -1.942 1.00 0.00 C ATOM 38 O HIS A 3 -0.777 -7.093 -1.212 1.00 0.00 O ATOM 39 CB HIS A 3 -0.555 -7.109 -4.177 1.00 0.00 C ATOM 40 CG HIS A 3 -0.030 -7.688 -5.466 1.00 0.00 C ATOM 41 ND1 HIS A 3 0.819 -8.768 -5.510 1.00 0.00 N ATOM 42 CD2 HIS A 3 -0.236 -7.333 -6.758 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.107 -9.051 -6.761 1.00 0.00 C ATOM 44 NE2 HIS A 3 0.481 -8.195 -7.541 1.00 0.00 N ATOM 0 H HIS A 3 -2.851 -7.911 -4.720 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.726 -8.976 -3.077 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.201 -6.263 -4.411 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.284 -6.720 -3.601 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.854 -6.518 -7.106 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.750 -9.852 -7.094 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.524 -8.178 -8.560 1.00 0.00 H new ATOM 53 N LEU A 4 -3.009 -7.324 -1.620 1.00 0.00 N ATOM 54 CA LEU A 4 -3.497 -6.738 -0.340 1.00 0.00 C ATOM 55 C LEU A 4 -2.854 -7.398 0.890 1.00 0.00 C ATOM 56 O LEU A 4 -2.626 -6.733 1.908 1.00 0.00 O ATOM 57 CB LEU A 4 -5.059 -6.823 -0.208 1.00 0.00 C ATOM 58 CG LEU A 4 -5.680 -8.195 0.254 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.176 -8.048 0.592 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.451 -9.323 -0.783 1.00 0.00 C ATOM 0 H LEU A 4 -3.762 -7.620 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.199 -5.690 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.378 -6.056 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.492 -6.567 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.155 -8.487 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.574 -9.012 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.298 -7.324 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.716 -7.703 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.897 -10.248 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.913 -9.046 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.381 -9.470 -0.931 1.00 0.00 H new ATOM 72 N GLU A 5 -2.583 -8.718 0.783 1.00 0.00 N ATOM 73 CA GLU A 5 -2.039 -9.489 1.896 1.00 0.00 C ATOM 74 C GLU A 5 -0.563 -9.125 2.128 1.00 0.00 C ATOM 75 O GLU A 5 -0.141 -8.934 3.261 1.00 0.00 O ATOM 76 CB GLU A 5 -2.220 -11.012 1.698 1.00 0.00 C ATOM 77 CG GLU A 5 -1.703 -11.846 2.889 1.00 0.00 C ATOM 78 CD GLU A 5 -2.020 -13.339 2.786 1.00 0.00 C ATOM 79 OE1 GLU A 5 -1.268 -14.072 2.123 1.00 0.00 O ATOM 80 OE2 GLU A 5 -3.025 -13.790 3.377 1.00 0.00 O ATOM 0 H GLU A 5 -2.736 -9.261 -0.067 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.606 -9.224 2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.277 -11.229 1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.696 -11.319 0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.623 -11.719 2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.138 -11.455 3.809 1.00 0.00 H new ATOM 87 N ALA A 6 0.209 -9.004 1.044 1.00 0.00 N ATOM 88 CA ALA A 6 1.622 -8.588 1.118 1.00 0.00 C ATOM 89 C ALA A 6 1.748 -7.135 1.618 1.00 0.00 C ATOM 90 O ALA A 6 2.699 -6.808 2.333 1.00 0.00 O ATOM 91 CB ALA A 6 2.311 -8.790 -0.233 1.00 0.00 C ATOM 0 H ALA A 6 -0.119 -9.189 0.096 1.00 0.00 H new ATOM 0 HA ALA A 6 2.131 -9.220 1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.353 -8.478 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.266 -9.843 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.806 -8.193 -0.992 1.00 0.00 H new ATOM 97 N VAL A 7 0.751 -6.291 1.287 1.00 0.00 N ATOM 98 CA VAL A 7 0.696 -4.897 1.758 1.00 0.00 C ATOM 99 C VAL A 7 0.435 -4.851 3.284 1.00 0.00 C ATOM 100 O VAL A 7 1.127 -4.134 4.002 1.00 0.00 O ATOM 101 CB VAL A 7 -0.399 -4.039 1.009 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.458 -2.604 1.580 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.154 -3.984 -0.516 1.00 0.00 C ATOM 0 H VAL A 7 -0.032 -6.556 0.690 1.00 0.00 H new ATOM 0 HA VAL A 7 1.667 -4.456 1.533 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.355 -4.534 1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.219 -2.032 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.708 -2.644 2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.512 -2.122 1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.932 -3.383 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.820 -3.536 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.177 -4.994 -0.925 1.00 0.00 H new ATOM 113 N ARG A 8 -0.550 -5.646 3.766 1.00 0.00 N ATOM 114 CA ARG A 8 -0.916 -5.692 5.212 1.00 0.00 C ATOM 115 C ARG A 8 0.185 -6.384 6.028 1.00 0.00 C ATOM 116 O ARG A 8 0.272 -6.196 7.241 1.00 0.00 O ATOM 117 CB ARG A 8 -2.294 -6.367 5.455 1.00 0.00 C ATOM 118 CG ARG A 8 -2.341 -7.891 5.234 1.00 0.00 C ATOM 119 CD ARG A 8 -3.759 -8.474 5.370 1.00 0.00 C ATOM 120 NE ARG A 8 -3.795 -9.931 5.128 1.00 0.00 N ATOM 121 CZ ARG A 8 -4.923 -10.665 5.019 1.00 0.00 C ATOM 122 NH1 ARG A 8 -6.115 -10.102 5.112 1.00 0.00 N ATOM 123 NH2 ARG A 8 -4.849 -11.963 4.790 1.00 0.00 N ATOM 0 H ARG A 8 -1.108 -6.266 3.179 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.007 -4.660 5.551 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.605 -6.157 6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.027 -5.900 4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.953 -8.121 4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.683 -8.378 5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.140 -8.265 6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.423 -7.975 4.665 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.903 -10.418 5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.194 -9.097 5.269 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.956 -10.672 5.027 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.939 -12.413 4.695 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.702 -12.516 4.708 1.00 0.00 H new ATOM 137 N ASN A 9 0.986 -7.221 5.343 1.00 0.00 N ATOM 138 CA ASN A 9 2.195 -7.837 5.910 1.00 0.00 C ATOM 139 C ASN A 9 3.205 -6.732 6.244 1.00 0.00 C ATOM 140 O ASN A 9 3.713 -6.658 7.363 1.00 0.00 O ATOM 141 CB ASN A 9 2.802 -8.845 4.887 1.00 0.00 C ATOM 142 CG ASN A 9 4.163 -9.433 5.282 1.00 0.00 C ATOM 143 OD1 ASN A 9 4.454 -9.648 6.456 1.00 0.00 O ATOM 144 ND2 ASN A 9 5.009 -9.697 4.292 1.00 0.00 N ATOM 0 H ASN A 9 0.809 -7.489 4.375 1.00 0.00 H new ATOM 0 HA ASN A 9 1.946 -8.382 6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.097 -9.664 4.746 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.906 -8.344 3.925 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.928 -10.089 4.497 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.739 -9.508 3.327 1.00 0.00 H new ATOM 151 N ILE A 10 3.437 -5.863 5.245 1.00 0.00 N ATOM 152 CA ILE A 10 4.350 -4.709 5.342 1.00 0.00 C ATOM 153 C ILE A 10 3.901 -3.721 6.426 1.00 0.00 C ATOM 154 O ILE A 10 4.704 -3.301 7.248 1.00 0.00 O ATOM 155 CB ILE A 10 4.448 -3.988 3.949 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.128 -4.935 2.920 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.177 -2.623 4.038 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.159 -4.414 1.509 1.00 0.00 C ATOM 0 H ILE A 10 2.989 -5.943 4.332 1.00 0.00 H new ATOM 0 HA ILE A 10 5.335 -5.080 5.626 1.00 0.00 H new ATOM 0 HB ILE A 10 3.436 -3.764 3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.151 -5.127 3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.606 -5.892 2.928 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.217 -2.167 3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.636 -1.966 4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.191 -2.775 4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.652 -5.141 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.140 -4.250 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.708 -3.473 1.481 1.00 0.00 H new ATOM 170 N LEU A 11 2.613 -3.362 6.414 1.00 0.00 N ATOM 171 CA LEU A 11 2.026 -2.443 7.404 1.00 0.00 C ATOM 172 C LEU A 11 2.064 -3.074 8.809 1.00 0.00 C ATOM 173 O LEU A 11 2.316 -2.396 9.805 1.00 0.00 O ATOM 174 CB LEU A 11 0.581 -2.086 6.985 1.00 0.00 C ATOM 175 CG LEU A 11 0.445 -1.369 5.601 1.00 0.00 C ATOM 176 CD1 LEU A 11 -1.022 -1.302 5.158 1.00 0.00 C ATOM 177 CD2 LEU A 11 1.083 0.043 5.619 1.00 0.00 C ATOM 0 H LEU A 11 1.946 -3.698 5.720 1.00 0.00 H new ATOM 0 HA LEU A 11 2.611 -1.524 7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.010 -3.002 6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.145 -1.446 7.752 1.00 0.00 H new ATOM 0 HG LEU A 11 0.994 -1.965 4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.088 -0.799 4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.422 -2.312 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.600 -0.747 5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.967 0.507 4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.588 0.656 6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.143 -0.040 5.858 1.00 0.00 H new ATOM 189 N GLY A 12 1.846 -4.397 8.855 1.00 0.00 N ATOM 190 CA GLY A 12 1.943 -5.167 10.089 1.00 0.00 C ATOM 191 C GLY A 12 3.370 -5.340 10.591 1.00 0.00 C ATOM 192 O GLY A 12 3.581 -5.632 11.773 1.00 0.00 O ATOM 0 H GLY A 12 1.599 -4.955 8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.352 -4.675 10.862 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.502 -6.151 9.929 1.00 0.00 H new ATOM 196 N ASP A 13 4.344 -5.180 9.682 1.00 0.00 N ATOM 197 CA ASP A 13 5.782 -5.280 9.990 1.00 0.00 C ATOM 198 C ASP A 13 6.340 -3.934 10.492 1.00 0.00 C ATOM 199 O ASP A 13 7.057 -3.882 11.500 1.00 0.00 O ATOM 200 CB ASP A 13 6.542 -5.745 8.711 1.00 0.00 C ATOM 201 CG ASP A 13 8.056 -5.909 8.913 1.00 0.00 C ATOM 202 OD1 ASP A 13 8.462 -6.801 9.688 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.848 -5.173 8.277 1.00 0.00 O ATOM 0 H ASP A 13 4.155 -4.975 8.701 1.00 0.00 H new ATOM 0 HA ASP A 13 5.925 -6.009 10.788 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.125 -6.695 8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.368 -5.023 7.914 1.00 0.00 H new ATOM 208 N VAL A 14 5.979 -2.854 9.779 1.00 0.00 N ATOM 209 CA VAL A 14 6.485 -1.497 10.038 1.00 0.00 C ATOM 210 C VAL A 14 5.788 -0.892 11.260 1.00 0.00 C ATOM 211 O VAL A 14 6.447 -0.499 12.223 1.00 0.00 O ATOM 212 CB VAL A 14 6.286 -0.552 8.788 1.00 0.00 C ATOM 213 CG1 VAL A 14 6.772 0.891 9.074 1.00 0.00 C ATOM 214 CG2 VAL A 14 6.992 -1.130 7.537 1.00 0.00 C ATOM 0 H VAL A 14 5.322 -2.900 9.000 1.00 0.00 H new ATOM 0 HA VAL A 14 7.554 -1.579 10.234 1.00 0.00 H new ATOM 0 HB VAL A 14 5.216 -0.504 8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.618 1.509 8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.208 1.306 9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.833 0.875 9.325 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.839 -0.460 6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.060 -1.228 7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.575 -2.110 7.304 1.00 0.00 H new ATOM 224 N LEU A 15 4.443 -0.846 11.223 1.00 0.00 N ATOM 225 CA LEU A 15 3.642 -0.217 12.300 1.00 0.00 C ATOM 226 C LEU A 15 3.433 -1.195 13.470 1.00 0.00 C ATOM 227 O LEU A 15 2.912 -0.800 14.521 1.00 0.00 O ATOM 228 CB LEU A 15 2.269 0.303 11.778 1.00 0.00 C ATOM 229 CG LEU A 15 2.286 1.408 10.657 1.00 0.00 C ATOM 230 CD1 LEU A 15 3.412 2.435 10.876 1.00 0.00 C ATOM 231 CD2 LEU A 15 2.343 0.806 9.238 1.00 0.00 C ATOM 0 H LEU A 15 3.886 -1.235 10.462 1.00 0.00 H new ATOM 0 HA LEU A 15 4.207 0.644 12.657 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.708 -0.551 11.399 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.713 0.697 12.629 1.00 0.00 H new ATOM 0 HG LEU A 15 1.338 1.940 10.739 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.386 3.179 10.079 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.272 2.929 11.838 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.376 1.926 10.866 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.353 1.610 8.502 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.247 0.207 9.133 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.469 0.175 9.075 1.00 0.00 H new ATOM 243 N ASN A 16 3.816 -2.471 13.245 1.00 0.00 N ATOM 244 CA ASN A 16 3.837 -3.532 14.264 1.00 0.00 C ATOM 245 C ASN A 16 2.402 -3.905 14.697 1.00 0.00 C ATOM 246 O ASN A 16 1.980 -3.665 15.834 1.00 0.00 O ATOM 247 CB ASN A 16 4.765 -3.152 15.461 1.00 0.00 C ATOM 248 CG ASN A 16 5.023 -4.308 16.439 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.341 -4.458 17.453 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.002 -5.145 16.128 1.00 0.00 N ATOM 0 H ASN A 16 4.125 -2.794 12.328 1.00 0.00 H new ATOM 0 HA ASN A 16 4.271 -4.430 13.824 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.720 -2.799 15.070 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.317 -2.321 16.006 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.207 -5.938 16.735 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.551 -4.996 15.281 1.00 0.00 H new ATOM 257 N LEU A 17 1.628 -4.429 13.730 1.00 0.00 N ATOM 258 CA LEU A 17 0.281 -4.991 13.972 1.00 0.00 C ATOM 259 C LEU A 17 0.410 -6.440 14.489 1.00 0.00 C ATOM 260 O LEU A 17 -0.359 -6.860 15.354 1.00 0.00 O ATOM 261 CB LEU A 17 -0.591 -4.946 12.674 1.00 0.00 C ATOM 262 CG LEU A 17 -1.191 -3.557 12.241 1.00 0.00 C ATOM 263 CD1 LEU A 17 -0.127 -2.450 12.130 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.968 -3.688 10.909 1.00 0.00 C ATOM 0 H LEU A 17 1.918 -4.476 12.753 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.219 -4.384 14.726 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.016 -5.320 11.850 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.419 -5.643 12.802 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.878 -3.258 13.033 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.603 -1.517 11.828 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.358 -2.314 13.096 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.618 -2.734 11.387 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.375 -2.717 10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.294 -4.039 10.128 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.784 -4.401 11.032 1.00 0.00 H new ATOM 276 N GLY A 18 1.409 -7.181 13.948 1.00 0.00 N ATOM 277 CA GLY A 18 1.696 -8.566 14.351 1.00 0.00 C ATOM 278 C GLY A 18 0.557 -9.539 14.064 1.00 0.00 C ATOM 279 O GLY A 18 0.497 -10.138 12.988 1.00 0.00 O ATOM 0 H GLY A 18 2.033 -6.829 13.222 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.592 -8.907 13.833 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.918 -8.586 15.418 1.00 0.00 H new ATOM 283 N GLU A 19 -0.347 -9.685 15.042 1.00 0.00 N ATOM 284 CA GLU A 19 -1.556 -10.517 14.922 1.00 0.00 C ATOM 285 C GLU A 19 -2.663 -9.746 14.190 1.00 0.00 C ATOM 286 O GLU A 19 -3.354 -10.297 13.340 1.00 0.00 O ATOM 287 CB GLU A 19 -2.060 -10.918 16.335 1.00 0.00 C ATOM 288 CG GLU A 19 -3.344 -11.782 16.330 1.00 0.00 C ATOM 289 CD GLU A 19 -3.962 -11.969 17.721 1.00 0.00 C ATOM 290 OE1 GLU A 19 -4.764 -11.108 18.141 1.00 0.00 O ATOM 291 OE2 GLU A 19 -3.646 -12.973 18.401 1.00 0.00 O ATOM 0 H GLU A 19 -0.260 -9.225 15.948 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.307 -11.413 14.353 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.269 -11.465 16.848 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.247 -10.012 16.912 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.081 -11.320 15.673 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.112 -12.761 15.910 1.00 0.00 H new ATOM 298 N ARG A 20 -2.776 -8.450 14.525 1.00 0.00 N ATOM 299 CA ARG A 20 -3.889 -7.558 14.109 1.00 0.00 C ATOM 300 C ARG A 20 -4.035 -7.479 12.566 1.00 0.00 C ATOM 301 O ARG A 20 -5.137 -7.283 12.044 1.00 0.00 O ATOM 302 CB ARG A 20 -3.648 -6.156 14.754 1.00 0.00 C ATOM 303 CG ARG A 20 -4.814 -5.132 14.677 1.00 0.00 C ATOM 304 CD ARG A 20 -4.836 -4.314 13.381 1.00 0.00 C ATOM 305 NE ARG A 20 -5.998 -3.419 13.315 1.00 0.00 N ATOM 306 CZ ARG A 20 -6.021 -2.140 13.707 1.00 0.00 C ATOM 307 NH1 ARG A 20 -4.928 -1.548 14.164 1.00 0.00 N ATOM 308 NH2 ARG A 20 -7.144 -1.456 13.639 1.00 0.00 N ATOM 0 H ARG A 20 -2.084 -7.976 15.105 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.836 -7.966 14.462 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.398 -6.305 15.804 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.774 -5.710 14.278 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.760 -5.665 14.775 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.743 -4.450 15.525 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.921 -3.726 13.308 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.850 -4.990 12.526 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.863 -3.806 12.937 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.052 -2.068 14.221 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.962 -0.572 14.459 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.992 -1.901 13.289 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.166 -0.481 13.937 1.00 0.00 H new ATOM 322 N LYS A 21 -2.919 -7.673 11.850 1.00 0.00 N ATOM 323 CA LYS A 21 -2.887 -7.658 10.369 1.00 0.00 C ATOM 324 C LYS A 21 -3.468 -8.946 9.726 1.00 0.00 C ATOM 325 O LYS A 21 -3.420 -9.091 8.504 1.00 0.00 O ATOM 326 CB LYS A 21 -1.436 -7.409 9.870 1.00 0.00 C ATOM 327 CG LYS A 21 -0.355 -8.300 10.543 1.00 0.00 C ATOM 328 CD LYS A 21 0.815 -8.676 9.600 1.00 0.00 C ATOM 329 CE LYS A 21 0.560 -9.972 8.830 1.00 0.00 C ATOM 330 NZ LYS A 21 -0.702 -9.947 8.052 1.00 0.00 N ATOM 0 H LYS A 21 -2.008 -7.846 12.276 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.534 -6.840 10.051 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.404 -7.573 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.182 -6.363 10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.044 -7.778 11.413 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.825 -9.214 10.907 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.981 -7.864 8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.729 -8.780 10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.394 -10.155 8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.531 -10.805 9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.701 -10.726 7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.510 -10.057 8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.782 -9.040 7.549 1.00 0.00 H new ATOM 344 N HIS A 22 -4.002 -9.874 10.542 1.00 0.00 N ATOM 345 CA HIS A 22 -4.632 -11.120 10.042 1.00 0.00 C ATOM 346 C HIS A 22 -6.144 -10.898 9.848 1.00 0.00 C ATOM 347 O HIS A 22 -6.714 -11.265 8.815 1.00 0.00 O ATOM 348 CB HIS A 22 -4.390 -12.285 11.047 1.00 0.00 C ATOM 349 CG HIS A 22 -4.833 -13.663 10.596 1.00 0.00 C ATOM 350 ND1 HIS A 22 -3.950 -14.702 10.388 1.00 0.00 N ATOM 351 CD2 HIS A 22 -6.068 -14.183 10.348 1.00 0.00 C ATOM 352 CE1 HIS A 22 -4.616 -15.784 10.038 1.00 0.00 C ATOM 353 NE2 HIS A 22 -5.895 -15.495 10.005 1.00 0.00 N ATOM 0 H HIS A 22 -4.012 -9.787 11.558 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.183 -11.384 9.084 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.325 -12.325 11.274 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.906 -12.047 11.977 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.009 -13.656 10.411 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.181 -16.747 9.816 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.642 -16.146 9.762 1.00 0.00 H new ATOM 362 N THR A 23 -6.769 -10.292 10.877 1.00 0.00 N ATOM 363 CA THR A 23 -8.238 -10.122 10.957 1.00 0.00 C ATOM 364 C THR A 23 -8.753 -9.094 9.933 1.00 0.00 C ATOM 365 O THR A 23 -9.902 -9.183 9.478 1.00 0.00 O ATOM 366 CB THR A 23 -8.699 -9.719 12.408 1.00 0.00 C ATOM 367 OG1 THR A 23 -10.127 -9.522 12.461 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.997 -8.449 12.925 1.00 0.00 C ATOM 0 H THR A 23 -6.271 -9.905 11.679 1.00 0.00 H new ATOM 0 HA THR A 23 -8.675 -11.091 10.715 1.00 0.00 H new ATOM 0 HB THR A 23 -8.415 -10.549 13.054 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.389 -9.274 13.372 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.354 -8.219 13.929 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.920 -8.614 12.951 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.220 -7.614 12.261 1.00 0.00 H new ATOM 376 N LEU A 24 -7.902 -8.115 9.585 1.00 0.00 N ATOM 377 CA LEU A 24 -8.256 -7.051 8.630 1.00 0.00 C ATOM 378 C LEU A 24 -8.039 -7.507 7.172 1.00 0.00 C ATOM 379 O LEU A 24 -7.249 -8.411 6.905 1.00 0.00 O ATOM 380 CB LEU A 24 -7.500 -5.732 8.962 1.00 0.00 C ATOM 381 CG LEU A 24 -5.925 -5.749 9.037 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.245 -5.789 7.648 1.00 0.00 C ATOM 383 CD2 LEU A 24 -5.415 -4.540 9.842 1.00 0.00 C ATOM 0 H LEU A 24 -6.955 -8.038 9.955 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.321 -6.842 8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.785 -4.992 8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.871 -5.373 9.922 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.651 -6.674 9.544 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.162 -5.799 7.773 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.557 -6.688 7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.536 -4.909 7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.326 -4.565 9.885 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.738 -3.618 9.358 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.819 -4.580 10.853 1.00 0.00 H new ATOM 395 N THR A 25 -8.745 -6.839 6.247 1.00 0.00 N ATOM 396 CA THR A 25 -8.702 -7.091 4.793 1.00 0.00 C ATOM 397 C THR A 25 -8.667 -5.730 4.059 1.00 0.00 C ATOM 398 O THR A 25 -8.336 -4.719 4.681 1.00 0.00 O ATOM 399 CB THR A 25 -9.929 -7.945 4.331 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.151 -7.302 4.730 1.00 0.00 O ATOM 401 CG2 THR A 25 -9.885 -9.379 4.887 1.00 0.00 C ATOM 0 H THR A 25 -9.383 -6.083 6.496 1.00 0.00 H new ATOM 0 HA THR A 25 -7.807 -7.663 4.549 1.00 0.00 H new ATOM 0 HB THR A 25 -9.885 -8.016 3.244 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.915 -7.841 4.436 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.758 -9.931 4.538 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.979 -9.876 4.541 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.887 -9.347 5.977 1.00 0.00 H new ATOM 409 N ALA A 26 -8.980 -5.702 2.745 1.00 0.00 N ATOM 410 CA ALA A 26 -8.870 -4.486 1.895 1.00 0.00 C ATOM 411 C ALA A 26 -9.708 -3.283 2.408 1.00 0.00 C ATOM 412 O ALA A 26 -9.403 -2.133 2.088 1.00 0.00 O ATOM 413 CB ALA A 26 -9.258 -4.822 0.450 1.00 0.00 C ATOM 0 H ALA A 26 -9.317 -6.521 2.239 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.828 -4.171 1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.175 -3.927 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.590 -5.592 0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.285 -5.186 0.424 1.00 0.00 H new ATOM 419 N SER A 27 -10.755 -3.560 3.203 1.00 0.00 N ATOM 420 CA SER A 27 -11.641 -2.516 3.771 1.00 0.00 C ATOM 421 C SER A 27 -11.010 -1.787 4.980 1.00 0.00 C ATOM 422 O SER A 27 -11.523 -0.744 5.409 1.00 0.00 O ATOM 423 CB SER A 27 -12.995 -3.143 4.155 1.00 0.00 C ATOM 424 OG SER A 27 -13.639 -3.678 3.014 1.00 0.00 O ATOM 0 H SER A 27 -11.015 -4.509 3.473 1.00 0.00 H new ATOM 0 HA SER A 27 -11.791 -1.757 3.003 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.841 -3.929 4.894 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.632 -2.390 4.619 1.00 0.00 H new ATOM 0 HG SER A 27 -14.496 -4.073 3.277 1.00 0.00 H new ATOM 430 N SER A 28 -9.898 -2.335 5.508 1.00 0.00 N ATOM 431 CA SER A 28 -9.207 -1.802 6.700 1.00 0.00 C ATOM 432 C SER A 28 -8.690 -0.382 6.456 1.00 0.00 C ATOM 433 O SER A 28 -7.925 -0.156 5.524 1.00 0.00 O ATOM 434 CB SER A 28 -8.021 -2.708 7.087 1.00 0.00 C ATOM 435 OG SER A 28 -7.369 -2.255 8.265 1.00 0.00 O ATOM 0 H SER A 28 -9.451 -3.165 5.118 1.00 0.00 H new ATOM 0 HA SER A 28 -9.933 -1.778 7.513 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.377 -3.727 7.239 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.305 -2.739 6.265 1.00 0.00 H new ATOM 0 HG SER A 28 -6.484 -1.904 8.034 1.00 0.00 H new ATOM 441 N VAL A 29 -9.088 0.552 7.324 1.00 0.00 N ATOM 442 CA VAL A 29 -8.629 1.948 7.266 1.00 0.00 C ATOM 443 C VAL A 29 -7.165 2.006 7.766 1.00 0.00 C ATOM 444 O VAL A 29 -6.732 1.117 8.504 1.00 0.00 O ATOM 445 CB VAL A 29 -9.579 2.859 8.138 1.00 0.00 C ATOM 446 CG1 VAL A 29 -9.151 4.342 8.134 1.00 0.00 C ATOM 447 CG2 VAL A 29 -11.051 2.709 7.682 1.00 0.00 C ATOM 0 H VAL A 29 -9.737 0.365 8.088 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.665 2.322 6.243 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.492 2.511 9.167 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.840 4.921 8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.142 4.431 8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.169 4.723 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.689 3.345 8.296 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.140 3.006 6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.362 1.670 7.792 1.00 0.00 H new ATOM 457 N LEU A 30 -6.383 3.006 7.326 1.00 0.00 N ATOM 458 CA LEU A 30 -4.990 3.197 7.802 1.00 0.00 C ATOM 459 C LEU A 30 -4.857 4.585 8.441 1.00 0.00 C ATOM 460 O LEU A 30 -4.510 4.698 9.626 1.00 0.00 O ATOM 461 CB LEU A 30 -3.983 3.000 6.645 1.00 0.00 C ATOM 462 CG LEU A 30 -4.075 1.634 5.891 1.00 0.00 C ATOM 463 CD1 LEU A 30 -3.098 1.594 4.709 1.00 0.00 C ATOM 464 CD2 LEU A 30 -3.854 0.429 6.848 1.00 0.00 C ATOM 0 H LEU A 30 -6.686 3.698 6.641 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.758 2.446 8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.127 3.803 5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.974 3.107 7.044 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.087 1.546 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.181 0.633 4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.338 2.396 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.079 1.724 5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.926 -0.501 6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.866 0.502 7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.615 0.440 7.629 1.00 0.00 H new ATOM 476 N LEU A 31 -5.125 5.640 7.636 1.00 0.00 N ATOM 477 CA LEU A 31 -5.260 7.021 8.135 1.00 0.00 C ATOM 478 C LEU A 31 -6.350 7.102 9.218 1.00 0.00 C ATOM 479 O LEU A 31 -7.539 6.945 8.933 1.00 0.00 O ATOM 480 CB LEU A 31 -5.597 8.004 6.978 1.00 0.00 C ATOM 481 CG LEU A 31 -4.413 8.430 6.061 1.00 0.00 C ATOM 482 CD1 LEU A 31 -4.895 9.337 4.914 1.00 0.00 C ATOM 483 CD2 LEU A 31 -3.301 9.119 6.879 1.00 0.00 C ATOM 0 H LEU A 31 -5.252 5.554 6.628 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.303 7.310 8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.364 7.546 6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.034 8.904 7.411 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.995 7.526 5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.046 9.618 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.627 8.801 4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.354 10.235 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.486 9.407 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.704 10.008 7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.926 8.430 7.636 1.00 0.00 H new ATOM 495 N GLY A 32 -5.910 7.343 10.449 1.00 0.00 N ATOM 496 CA GLY A 32 -6.794 7.493 11.596 1.00 0.00 C ATOM 497 C GLY A 32 -6.974 6.205 12.386 1.00 0.00 C ATOM 498 O GLY A 32 -7.150 6.249 13.607 1.00 0.00 O ATOM 0 H GLY A 32 -4.921 7.440 10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.395 8.264 12.256 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.768 7.840 11.253 1.00 0.00 H new ATOM 502 N ASN A 33 -6.935 5.050 11.687 1.00 0.00 N ATOM 503 CA ASN A 33 -7.106 3.732 12.324 1.00 0.00 C ATOM 504 C ASN A 33 -5.825 3.327 13.048 1.00 0.00 C ATOM 505 O ASN A 33 -5.830 3.125 14.261 1.00 0.00 O ATOM 506 CB ASN A 33 -7.480 2.652 11.285 1.00 0.00 C ATOM 507 CG ASN A 33 -7.677 1.257 11.903 1.00 0.00 C ATOM 508 OD1 ASN A 33 -8.147 1.124 13.034 1.00 0.00 O ATOM 509 ND2 ASN A 33 -7.312 0.205 11.180 1.00 0.00 N ATOM 0 H ASN A 33 -6.786 5.007 10.679 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.920 3.812 13.044 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.397 2.949 10.776 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.698 2.599 10.528 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.419 -0.736 11.559 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.925 0.338 10.246 1.00 0.00 H new ATOM 516 N ILE A 34 -4.726 3.214 12.292 1.00 0.00 N ATOM 517 CA ILE A 34 -3.433 2.815 12.842 1.00 0.00 C ATOM 518 C ILE A 34 -2.815 4.040 13.546 1.00 0.00 C ATOM 519 O ILE A 34 -2.527 5.043 12.876 1.00 0.00 O ATOM 520 CB ILE A 34 -2.442 2.283 11.742 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.128 1.234 10.797 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.169 1.694 12.399 1.00 0.00 C ATOM 523 CD1 ILE A 34 -3.612 -0.039 11.481 1.00 0.00 C ATOM 0 H ILE A 34 -4.712 3.396 11.289 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.597 1.994 13.539 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.150 3.130 11.121 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.978 1.710 10.309 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.423 0.960 10.013 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.494 1.331 11.624 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.669 2.468 12.982 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.447 0.869 13.055 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.070 -0.697 10.743 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.766 -0.547 11.945 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.346 0.215 12.245 1.00 0.00 H new ATOM 535 N PRO A 35 -2.590 3.985 14.897 1.00 0.00 N ATOM 536 CA PRO A 35 -2.056 5.140 15.660 1.00 0.00 C ATOM 537 C PRO A 35 -0.546 5.352 15.421 1.00 0.00 C ATOM 538 O PRO A 35 0.031 6.339 15.878 1.00 0.00 O ATOM 539 CB PRO A 35 -2.371 4.755 17.125 1.00 0.00 C ATOM 540 CG PRO A 35 -2.298 3.255 17.138 1.00 0.00 C ATOM 541 CD PRO A 35 -2.808 2.801 15.781 1.00 0.00 C ATOM 0 HA PRO A 35 -2.499 6.091 15.363 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.651 5.194 17.815 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.357 5.108 17.426 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.276 2.915 17.305 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.906 2.841 17.942 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.262 1.929 15.421 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.861 2.523 15.823 1.00 0.00 H new ATOM 549 N GLU A 36 0.075 4.409 14.693 1.00 0.00 N ATOM 550 CA GLU A 36 1.498 4.461 14.337 1.00 0.00 C ATOM 551 C GLU A 36 1.694 5.014 12.919 1.00 0.00 C ATOM 552 O GLU A 36 2.824 5.321 12.527 1.00 0.00 O ATOM 553 CB GLU A 36 2.115 3.046 14.471 1.00 0.00 C ATOM 554 CG GLU A 36 2.166 2.510 15.914 1.00 0.00 C ATOM 555 CD GLU A 36 3.049 3.365 16.847 1.00 0.00 C ATOM 556 OE1 GLU A 36 4.285 3.176 16.846 1.00 0.00 O ATOM 557 OE2 GLU A 36 2.512 4.233 17.576 1.00 0.00 O ATOM 0 H GLU A 36 -0.403 3.583 14.333 1.00 0.00 H new ATOM 0 HA GLU A 36 2.009 5.138 15.022 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.539 2.352 13.858 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.127 3.064 14.067 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.154 2.471 16.317 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.544 1.488 15.902 1.00 0.00 H new ATOM 564 N LEU A 37 0.583 5.152 12.166 1.00 0.00 N ATOM 565 CA LEU A 37 0.606 5.621 10.772 1.00 0.00 C ATOM 566 C LEU A 37 0.753 7.163 10.782 1.00 0.00 C ATOM 567 O LEU A 37 -0.233 7.908 10.780 1.00 0.00 O ATOM 568 CB LEU A 37 -0.677 5.108 10.025 1.00 0.00 C ATOM 569 CG LEU A 37 -0.721 5.159 8.449 1.00 0.00 C ATOM 570 CD1 LEU A 37 -0.987 6.578 7.905 1.00 0.00 C ATOM 571 CD2 LEU A 37 0.559 4.546 7.828 1.00 0.00 C ATOM 0 H LEU A 37 -0.353 4.940 12.511 1.00 0.00 H new ATOM 0 HA LEU A 37 1.456 5.218 10.221 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.839 4.073 10.325 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.525 5.684 10.396 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.570 4.547 8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.006 6.552 6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.947 6.936 8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.196 7.250 8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.496 4.597 6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.431 5.104 8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.651 3.505 8.138 1.00 0.00 H new ATOM 583 N ASP A 38 2.009 7.604 10.919 1.00 0.00 N ATOM 584 CA ASP A 38 2.426 9.018 10.891 1.00 0.00 C ATOM 585 C ASP A 38 3.038 9.354 9.514 1.00 0.00 C ATOM 586 O ASP A 38 3.182 8.473 8.665 1.00 0.00 O ATOM 587 CB ASP A 38 3.468 9.231 12.040 1.00 0.00 C ATOM 588 CG ASP A 38 4.052 10.662 12.147 1.00 0.00 C ATOM 589 OD1 ASP A 38 3.334 11.577 12.591 1.00 0.00 O ATOM 590 OD2 ASP A 38 5.230 10.877 11.774 1.00 0.00 O ATOM 0 H ASP A 38 2.793 6.967 11.057 1.00 0.00 H new ATOM 0 HA ASP A 38 1.574 9.680 11.043 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.995 8.977 12.989 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.291 8.530 11.897 1.00 0.00 H new ATOM 595 N SER A 39 3.353 10.642 9.310 1.00 0.00 N ATOM 596 CA SER A 39 4.197 11.148 8.209 1.00 0.00 C ATOM 597 C SER A 39 5.463 10.272 7.970 1.00 0.00 C ATOM 598 O SER A 39 5.648 9.703 6.894 1.00 0.00 O ATOM 599 CB SER A 39 4.618 12.612 8.534 1.00 0.00 C ATOM 600 OG SER A 39 3.769 13.586 7.906 1.00 0.00 O ATOM 0 H SER A 39 3.019 11.385 9.923 1.00 0.00 H new ATOM 0 HA SER A 39 3.611 11.108 7.291 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.597 12.760 9.614 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.647 12.770 8.210 1.00 0.00 H new ATOM 0 HG SER A 39 4.074 14.487 8.142 1.00 0.00 H new ATOM 605 N MET A 40 6.322 10.159 8.990 1.00 0.00 N ATOM 606 CA MET A 40 7.579 9.386 8.873 1.00 0.00 C ATOM 607 C MET A 40 7.285 7.907 8.555 1.00 0.00 C ATOM 608 O MET A 40 8.045 7.243 7.837 1.00 0.00 O ATOM 609 CB MET A 40 8.412 9.497 10.160 1.00 0.00 C ATOM 610 CG MET A 40 8.816 10.931 10.536 1.00 0.00 C ATOM 611 SD MET A 40 9.918 11.698 9.327 1.00 0.00 S ATOM 612 CE MET A 40 10.271 13.279 10.096 1.00 0.00 C ATOM 0 H MET A 40 6.177 10.588 9.904 1.00 0.00 H new ATOM 0 HA MET A 40 8.156 9.809 8.051 1.00 0.00 H new ATOM 0 HB2 MET A 40 7.844 9.065 10.984 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.315 8.897 10.046 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.918 11.540 10.638 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.306 10.920 11.510 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.940 13.854 9.456 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.342 13.831 10.237 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.746 13.115 11.063 1.00 0.00 H new ATOM 622 N ALA A 41 6.148 7.430 9.084 1.00 0.00 N ATOM 623 CA ALA A 41 5.657 6.076 8.847 1.00 0.00 C ATOM 624 C ALA A 41 5.195 5.859 7.396 1.00 0.00 C ATOM 625 O ALA A 41 5.275 4.738 6.921 1.00 0.00 O ATOM 626 CB ALA A 41 4.536 5.740 9.820 1.00 0.00 C ATOM 0 H ALA A 41 5.543 7.982 9.692 1.00 0.00 H new ATOM 0 HA ALA A 41 6.495 5.399 9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.181 4.727 9.630 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.909 5.808 10.842 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.714 6.444 9.686 1.00 0.00 H new ATOM 632 N VAL A 42 4.705 6.924 6.693 1.00 0.00 N ATOM 633 CA VAL A 42 4.359 6.804 5.251 1.00 0.00 C ATOM 634 C VAL A 42 5.643 6.574 4.442 1.00 0.00 C ATOM 635 O VAL A 42 5.651 5.780 3.508 1.00 0.00 O ATOM 636 CB VAL A 42 3.540 8.022 4.623 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.381 8.459 5.538 1.00 0.00 C ATOM 638 CG2 VAL A 42 4.433 9.237 4.207 1.00 0.00 C ATOM 0 H VAL A 42 4.546 7.849 7.092 1.00 0.00 H new ATOM 0 HA VAL A 42 3.678 5.955 5.191 1.00 0.00 H new ATOM 0 HB VAL A 42 3.114 7.639 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.847 9.290 5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.696 7.623 5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.778 8.774 6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.805 10.024 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.959 9.619 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.158 8.916 3.459 1.00 0.00 H new ATOM 648 N VAL A 43 6.740 7.247 4.853 1.00 0.00 N ATOM 649 CA VAL A 43 8.035 7.135 4.142 1.00 0.00 C ATOM 650 C VAL A 43 8.589 5.705 4.314 1.00 0.00 C ATOM 651 O VAL A 43 9.035 5.062 3.352 1.00 0.00 O ATOM 652 CB VAL A 43 9.081 8.191 4.669 1.00 0.00 C ATOM 653 CG1 VAL A 43 10.279 8.353 3.704 1.00 0.00 C ATOM 654 CG2 VAL A 43 8.403 9.549 4.946 1.00 0.00 C ATOM 0 H VAL A 43 6.757 7.867 5.663 1.00 0.00 H new ATOM 0 HA VAL A 43 7.866 7.342 3.085 1.00 0.00 H new ATOM 0 HB VAL A 43 9.478 7.810 5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.974 9.090 4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.789 7.396 3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.920 8.687 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.146 10.259 5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.957 9.928 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.626 9.421 5.700 1.00 0.00 H new ATOM 664 N ASN A 44 8.501 5.232 5.564 1.00 0.00 N ATOM 665 CA ASN A 44 8.945 3.890 5.981 1.00 0.00 C ATOM 666 C ASN A 44 8.232 2.770 5.213 1.00 0.00 C ATOM 667 O ASN A 44 8.891 1.859 4.694 1.00 0.00 O ATOM 668 CB ASN A 44 8.716 3.717 7.505 1.00 0.00 C ATOM 669 CG ASN A 44 9.738 4.460 8.364 1.00 0.00 C ATOM 670 OD1 ASN A 44 10.902 4.596 7.988 1.00 0.00 O ATOM 671 ND2 ASN A 44 9.317 4.950 9.517 1.00 0.00 N ATOM 0 H ASN A 44 8.112 5.780 6.331 1.00 0.00 H new ATOM 0 HA ASN A 44 10.007 3.810 5.750 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.716 4.071 7.756 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.750 2.656 7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.963 5.457 10.122 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.346 4.821 9.802 1.00 0.00 H new ATOM 678 N VAL A 45 6.893 2.843 5.146 1.00 0.00 N ATOM 679 CA VAL A 45 6.085 1.786 4.523 1.00 0.00 C ATOM 680 C VAL A 45 6.280 1.776 3.007 1.00 0.00 C ATOM 681 O VAL A 45 6.375 0.708 2.437 1.00 0.00 O ATOM 682 CB VAL A 45 4.555 1.874 4.878 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.332 1.699 6.392 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.926 3.184 4.376 1.00 0.00 C ATOM 0 H VAL A 45 6.349 3.623 5.516 1.00 0.00 H new ATOM 0 HA VAL A 45 6.446 0.846 4.941 1.00 0.00 H new ATOM 0 HB VAL A 45 4.053 1.056 4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.267 1.764 6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.709 0.725 6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.862 2.484 6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.869 3.205 4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.433 4.031 4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.029 3.246 3.293 1.00 0.00 H new ATOM 694 N ILE A 46 6.380 2.973 2.371 1.00 0.00 N ATOM 695 CA ILE A 46 6.608 3.082 0.903 1.00 0.00 C ATOM 696 C ILE A 46 7.933 2.402 0.529 1.00 0.00 C ATOM 697 O ILE A 46 7.975 1.602 -0.406 1.00 0.00 O ATOM 698 CB ILE A 46 6.593 4.580 0.399 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.162 5.186 0.538 1.00 0.00 C ATOM 700 CG2 ILE A 46 7.103 4.713 -1.067 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.063 6.670 0.223 1.00 0.00 C ATOM 0 H ILE A 46 6.307 3.872 2.848 1.00 0.00 H new ATOM 0 HA ILE A 46 5.783 2.573 0.405 1.00 0.00 H new ATOM 0 HB ILE A 46 7.281 5.142 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.487 4.643 -0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.811 5.021 1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.074 5.760 -1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.127 4.345 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.465 4.127 -1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.032 7.000 0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.707 7.230 0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.379 6.846 -0.805 1.00 0.00 H new ATOM 713 N THR A 47 8.985 2.701 1.313 1.00 0.00 N ATOM 714 CA THR A 47 10.305 2.062 1.178 1.00 0.00 C ATOM 715 C THR A 47 10.183 0.529 1.313 1.00 0.00 C ATOM 716 O THR A 47 10.764 -0.221 0.531 1.00 0.00 O ATOM 717 CB THR A 47 11.297 2.616 2.247 1.00 0.00 C ATOM 718 OG1 THR A 47 11.405 4.038 2.095 1.00 0.00 O ATOM 719 CG2 THR A 47 12.700 1.983 2.145 1.00 0.00 C ATOM 0 H THR A 47 8.942 3.395 2.060 1.00 0.00 H new ATOM 0 HA THR A 47 10.694 2.296 0.187 1.00 0.00 H new ATOM 0 HB THR A 47 10.898 2.357 3.228 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.633 4.471 2.515 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.347 2.407 2.913 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.624 0.905 2.288 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.122 2.189 1.161 1.00 0.00 H new ATOM 727 N ALA A 48 9.382 0.089 2.299 1.00 0.00 N ATOM 728 CA ALA A 48 9.137 -1.338 2.564 1.00 0.00 C ATOM 729 C ALA A 48 8.291 -2.004 1.446 1.00 0.00 C ATOM 730 O ALA A 48 8.444 -3.199 1.191 1.00 0.00 O ATOM 731 CB ALA A 48 8.495 -1.505 3.940 1.00 0.00 C ATOM 0 H ALA A 48 8.886 0.714 2.935 1.00 0.00 H new ATOM 0 HA ALA A 48 10.096 -1.856 2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.315 -2.563 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.162 -1.106 4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.548 -0.966 3.968 1.00 0.00 H new ATOM 737 N LEU A 49 7.429 -1.218 0.757 1.00 0.00 N ATOM 738 CA LEU A 49 6.688 -1.691 -0.439 1.00 0.00 C ATOM 739 C LEU A 49 7.716 -2.065 -1.530 1.00 0.00 C ATOM 740 O LEU A 49 7.663 -3.164 -2.102 1.00 0.00 O ATOM 741 CB LEU A 49 5.657 -0.613 -0.966 1.00 0.00 C ATOM 742 CG LEU A 49 4.164 -0.721 -0.468 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.552 -2.077 -0.844 1.00 0.00 C ATOM 744 CD2 LEU A 49 4.010 -0.461 1.041 1.00 0.00 C ATOM 0 H LEU A 49 7.229 -0.250 1.010 1.00 0.00 H new ATOM 0 HA LEU A 49 6.096 -2.566 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.032 0.373 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.651 -0.659 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 49 3.617 0.069 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.523 -2.123 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.567 -2.195 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.131 -2.878 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.960 -0.550 1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.597 -1.191 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.364 0.543 1.275 1.00 0.00 H new ATOM 756 N GLU A 50 8.675 -1.139 -1.747 1.00 0.00 N ATOM 757 CA GLU A 50 9.794 -1.303 -2.705 1.00 0.00 C ATOM 758 C GLU A 50 10.609 -2.579 -2.392 1.00 0.00 C ATOM 759 O GLU A 50 10.982 -3.319 -3.301 1.00 0.00 O ATOM 760 CB GLU A 50 10.741 -0.065 -2.647 1.00 0.00 C ATOM 761 CG GLU A 50 10.044 1.310 -2.697 1.00 0.00 C ATOM 762 CD GLU A 50 9.563 1.730 -4.085 1.00 0.00 C ATOM 763 OE1 GLU A 50 8.569 1.165 -4.582 1.00 0.00 O ATOM 764 OE2 GLU A 50 10.182 2.646 -4.685 1.00 0.00 O ATOM 0 H GLU A 50 8.696 -0.245 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 50 9.366 -1.392 -3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.328 -0.122 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.442 -0.127 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.190 1.294 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.734 2.066 -2.322 1.00 0.00 H new ATOM 771 N GLU A 51 10.869 -2.801 -1.081 1.00 0.00 N ATOM 772 CA GLU A 51 11.646 -3.956 -0.578 1.00 0.00 C ATOM 773 C GLU A 51 10.981 -5.297 -0.959 1.00 0.00 C ATOM 774 O GLU A 51 11.544 -6.076 -1.734 1.00 0.00 O ATOM 775 CB GLU A 51 11.797 -3.878 0.973 1.00 0.00 C ATOM 776 CG GLU A 51 12.558 -2.650 1.510 1.00 0.00 C ATOM 777 CD GLU A 51 14.013 -2.570 1.032 1.00 0.00 C ATOM 778 OE1 GLU A 51 14.837 -3.399 1.473 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.346 -1.680 0.223 1.00 0.00 O ATOM 0 H GLU A 51 10.543 -2.180 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 51 12.630 -3.913 -1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.802 -3.888 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.308 -4.778 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.033 -1.745 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.543 -2.672 2.600 1.00 0.00 H new ATOM 786 N TYR A 52 9.767 -5.525 -0.414 1.00 0.00 N ATOM 787 CA TYR A 52 9.066 -6.824 -0.506 1.00 0.00 C ATOM 788 C TYR A 52 8.652 -7.163 -1.946 1.00 0.00 C ATOM 789 O TYR A 52 8.841 -8.298 -2.392 1.00 0.00 O ATOM 790 CB TYR A 52 7.823 -6.851 0.426 1.00 0.00 C ATOM 791 CG TYR A 52 8.147 -6.959 1.932 1.00 0.00 C ATOM 792 CD1 TYR A 52 8.613 -5.861 2.656 1.00 0.00 C ATOM 793 CD2 TYR A 52 7.974 -8.160 2.628 1.00 0.00 C ATOM 794 CE1 TYR A 52 8.896 -5.948 4.001 1.00 0.00 C ATOM 795 CE2 TYR A 52 8.253 -8.250 3.976 1.00 0.00 C ATOM 796 CZ TYR A 52 8.710 -7.145 4.655 1.00 0.00 C ATOM 797 OH TYR A 52 8.984 -7.233 6.000 1.00 0.00 O ATOM 0 H TYR A 52 9.246 -4.815 0.101 1.00 0.00 H new ATOM 0 HA TYR A 52 9.774 -7.585 -0.179 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.240 -5.945 0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.192 -7.693 0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.755 -4.918 2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.616 -9.032 2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.261 -5.085 4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.113 -9.186 4.497 1.00 0.00 H new ATOM 0 HH TYR A 52 8.905 -6.346 6.409 1.00 0.00 H new ATOM 807 N PHE A 53 8.073 -6.178 -2.653 1.00 0.00 N ATOM 808 CA PHE A 53 7.550 -6.375 -4.025 1.00 0.00 C ATOM 809 C PHE A 53 8.652 -6.237 -5.101 1.00 0.00 C ATOM 810 O PHE A 53 8.475 -6.734 -6.223 1.00 0.00 O ATOM 811 CB PHE A 53 6.410 -5.381 -4.318 1.00 0.00 C ATOM 812 CG PHE A 53 5.111 -5.621 -3.555 1.00 0.00 C ATOM 813 CD1 PHE A 53 4.959 -5.208 -2.235 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.034 -6.248 -4.169 1.00 0.00 C ATOM 815 CE1 PHE A 53 3.767 -5.418 -1.566 1.00 0.00 C ATOM 816 CE2 PHE A 53 2.854 -6.449 -3.501 1.00 0.00 C ATOM 817 CZ PHE A 53 2.716 -6.032 -2.201 1.00 0.00 C ATOM 0 H PHE A 53 7.953 -5.229 -2.298 1.00 0.00 H new ATOM 0 HA PHE A 53 7.167 -7.394 -4.072 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.763 -4.375 -4.091 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.193 -5.410 -5.386 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.778 -4.720 -1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.128 -6.583 -5.191 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.662 -5.098 -0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.030 -6.937 -4.000 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.783 -6.186 -1.679 1.00 0.00 H new ATOM 827 N ASP A 54 9.760 -5.542 -4.751 1.00 0.00 N ATOM 828 CA ASP A 54 10.945 -5.355 -5.625 1.00 0.00 C ATOM 829 C ASP A 54 10.594 -4.495 -6.857 1.00 0.00 C ATOM 830 O ASP A 54 10.740 -4.928 -8.012 1.00 0.00 O ATOM 831 CB ASP A 54 11.583 -6.715 -6.033 1.00 0.00 C ATOM 832 CG ASP A 54 11.984 -7.591 -4.833 1.00 0.00 C ATOM 833 OD1 ASP A 54 13.063 -7.360 -4.241 1.00 0.00 O ATOM 834 OD2 ASP A 54 11.229 -8.525 -4.485 1.00 0.00 O ATOM 0 H ASP A 54 9.858 -5.089 -3.842 1.00 0.00 H new ATOM 0 HA ASP A 54 11.697 -4.815 -5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.877 -7.266 -6.655 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.465 -6.524 -6.644 1.00 0.00 H new ATOM 839 N PHE A 55 10.107 -3.275 -6.591 1.00 0.00 N ATOM 840 CA PHE A 55 9.750 -2.299 -7.642 1.00 0.00 C ATOM 841 C PHE A 55 10.166 -0.885 -7.214 1.00 0.00 C ATOM 842 O PHE A 55 10.728 -0.695 -6.129 1.00 0.00 O ATOM 843 CB PHE A 55 8.221 -2.359 -7.952 1.00 0.00 C ATOM 844 CG PHE A 55 7.306 -1.744 -6.879 1.00 0.00 C ATOM 845 CD1 PHE A 55 7.139 -2.350 -5.645 1.00 0.00 C ATOM 846 CD2 PHE A 55 6.607 -0.565 -7.120 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.301 -1.806 -4.688 1.00 0.00 C ATOM 848 CE2 PHE A 55 5.775 -0.022 -6.161 1.00 0.00 C ATOM 849 CZ PHE A 55 5.620 -0.643 -4.944 1.00 0.00 C ATOM 0 H PHE A 55 9.948 -2.933 -5.643 1.00 0.00 H new ATOM 0 HA PHE A 55 10.288 -2.556 -8.554 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.039 -1.848 -8.897 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.937 -3.402 -8.094 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.672 -3.263 -5.426 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.717 -0.067 -8.072 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.182 -2.299 -3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.243 0.895 -6.368 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.967 -0.218 -4.196 1.00 0.00 H new ATOM 859 N SER A 56 9.903 0.094 -8.095 1.00 0.00 N ATOM 860 CA SER A 56 10.052 1.516 -7.789 1.00 0.00 C ATOM 861 C SER A 56 8.744 2.233 -8.109 1.00 0.00 C ATOM 862 O SER A 56 8.306 2.276 -9.262 1.00 0.00 O ATOM 863 CB SER A 56 11.231 2.136 -8.562 1.00 0.00 C ATOM 864 OG SER A 56 11.473 3.467 -8.141 1.00 0.00 O ATOM 0 H SER A 56 9.579 -0.086 -9.045 1.00 0.00 H new ATOM 0 HA SER A 56 10.275 1.631 -6.728 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.127 1.534 -8.409 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.017 2.123 -9.631 1.00 0.00 H new ATOM 0 HG SER A 56 12.227 3.838 -8.645 1.00 0.00 H new ATOM 870 N VAL A 57 8.121 2.752 -7.056 1.00 0.00 N ATOM 871 CA VAL A 57 6.843 3.437 -7.101 1.00 0.00 C ATOM 872 C VAL A 57 6.986 4.825 -7.751 1.00 0.00 C ATOM 873 O VAL A 57 8.043 5.467 -7.647 1.00 0.00 O ATOM 874 CB VAL A 57 6.246 3.545 -5.647 1.00 0.00 C ATOM 875 CG1 VAL A 57 6.934 4.634 -4.795 1.00 0.00 C ATOM 876 CG2 VAL A 57 4.723 3.705 -5.692 1.00 0.00 C ATOM 0 H VAL A 57 8.511 2.703 -6.115 1.00 0.00 H new ATOM 0 HA VAL A 57 6.154 2.860 -7.717 1.00 0.00 H new ATOM 0 HB VAL A 57 6.461 2.605 -5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.480 4.661 -3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.996 4.406 -4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.812 5.604 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.335 3.777 -4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.468 4.610 -6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.281 2.841 -6.189 1.00 0.00 H new ATOM 886 N ASP A 58 5.955 5.253 -8.478 1.00 0.00 N ATOM 887 CA ASP A 58 5.905 6.605 -9.055 1.00 0.00 C ATOM 888 C ASP A 58 5.308 7.573 -8.013 1.00 0.00 C ATOM 889 O ASP A 58 4.421 7.192 -7.251 1.00 0.00 O ATOM 890 CB ASP A 58 5.083 6.582 -10.358 1.00 0.00 C ATOM 891 CG ASP A 58 4.972 7.955 -11.029 1.00 0.00 C ATOM 892 OD1 ASP A 58 5.939 8.375 -11.697 1.00 0.00 O ATOM 893 OD2 ASP A 58 3.937 8.630 -10.868 1.00 0.00 O ATOM 0 H ASP A 58 5.135 4.682 -8.685 1.00 0.00 H new ATOM 0 HA ASP A 58 6.907 6.952 -9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.540 5.880 -11.056 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.082 6.209 -10.141 1.00 0.00 H new ATOM 898 N ASP A 59 5.832 8.804 -7.951 1.00 0.00 N ATOM 899 CA ASP A 59 5.406 9.808 -6.953 1.00 0.00 C ATOM 900 C ASP A 59 3.972 10.344 -7.221 1.00 0.00 C ATOM 901 O ASP A 59 3.200 10.553 -6.273 1.00 0.00 O ATOM 902 CB ASP A 59 6.440 10.964 -6.924 1.00 0.00 C ATOM 903 CG ASP A 59 6.153 12.020 -5.842 1.00 0.00 C ATOM 904 OD1 ASP A 59 6.486 11.789 -4.664 1.00 0.00 O ATOM 905 OD2 ASP A 59 5.582 13.085 -6.158 1.00 0.00 O ATOM 0 H ASP A 59 6.559 9.136 -8.585 1.00 0.00 H new ATOM 0 HA ASP A 59 5.368 9.324 -5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.434 10.547 -6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.456 11.450 -7.899 1.00 0.00 H new ATOM 910 N ASP A 60 3.610 10.510 -8.511 1.00 0.00 N ATOM 911 CA ASP A 60 2.347 11.195 -8.926 1.00 0.00 C ATOM 912 C ASP A 60 1.077 10.381 -8.604 1.00 0.00 C ATOM 913 O ASP A 60 -0.032 10.929 -8.633 1.00 0.00 O ATOM 914 CB ASP A 60 2.357 11.532 -10.444 1.00 0.00 C ATOM 915 CG ASP A 60 3.484 12.494 -10.855 1.00 0.00 C ATOM 916 OD1 ASP A 60 3.518 13.634 -10.349 1.00 0.00 O ATOM 917 OD2 ASP A 60 4.318 12.134 -11.708 1.00 0.00 O ATOM 0 H ASP A 60 4.173 10.180 -9.295 1.00 0.00 H new ATOM 0 HA ASP A 60 2.314 12.114 -8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.455 10.607 -11.012 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.398 11.973 -10.716 1.00 0.00 H new ATOM 922 N GLU A 61 1.238 9.082 -8.321 1.00 0.00 N ATOM 923 CA GLU A 61 0.101 8.187 -7.997 1.00 0.00 C ATOM 924 C GLU A 61 -0.215 8.246 -6.487 1.00 0.00 C ATOM 925 O GLU A 61 -1.382 8.142 -6.079 1.00 0.00 O ATOM 926 CB GLU A 61 0.402 6.730 -8.435 1.00 0.00 C ATOM 927 CG GLU A 61 1.548 6.057 -7.660 1.00 0.00 C ATOM 928 CD GLU A 61 1.917 4.669 -8.179 1.00 0.00 C ATOM 929 OE1 GLU A 61 2.751 4.581 -9.107 1.00 0.00 O ATOM 930 OE2 GLU A 61 1.369 3.662 -7.681 1.00 0.00 O ATOM 0 H GLU A 61 2.146 8.618 -8.308 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.774 8.531 -8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.502 6.133 -8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.647 6.726 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.429 6.697 -7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.266 5.978 -6.610 1.00 0.00 H new ATOM 937 N ILE A 62 0.844 8.432 -5.672 1.00 0.00 N ATOM 938 CA ILE A 62 0.739 8.411 -4.211 1.00 0.00 C ATOM 939 C ILE A 62 0.184 9.750 -3.705 1.00 0.00 C ATOM 940 O ILE A 62 0.691 10.811 -4.068 1.00 0.00 O ATOM 941 CB ILE A 62 2.129 8.145 -3.506 1.00 0.00 C ATOM 942 CG1 ILE A 62 2.852 6.887 -4.094 1.00 0.00 C ATOM 943 CG2 ILE A 62 1.940 7.987 -1.975 1.00 0.00 C ATOM 944 CD1 ILE A 62 4.227 6.619 -3.496 1.00 0.00 C ATOM 0 H ILE A 62 1.790 8.600 -6.014 1.00 0.00 H new ATOM 0 HA ILE A 62 0.067 7.591 -3.958 1.00 0.00 H new ATOM 0 HB ILE A 62 2.762 9.011 -3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.222 6.012 -3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.955 7.012 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.907 7.804 -1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.505 8.899 -1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.275 7.146 -1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.658 5.731 -3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.877 7.475 -3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.132 6.459 -2.422 1.00 0.00 H new ATOM 956 N SER A 63 -0.849 9.672 -2.872 1.00 0.00 N ATOM 957 CA SER A 63 -1.434 10.809 -2.147 1.00 0.00 C ATOM 958 C SER A 63 -1.826 10.323 -0.737 1.00 0.00 C ATOM 959 O SER A 63 -1.573 9.163 -0.387 1.00 0.00 O ATOM 960 CB SER A 63 -2.663 11.350 -2.937 1.00 0.00 C ATOM 961 OG SER A 63 -3.288 12.450 -2.295 1.00 0.00 O ATOM 0 H SER A 63 -1.321 8.790 -2.672 1.00 0.00 H new ATOM 0 HA SER A 63 -0.721 11.628 -2.052 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.344 11.651 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.390 10.548 -3.063 1.00 0.00 H new ATOM 0 HG SER A 63 -4.051 12.752 -2.832 1.00 0.00 H new ATOM 967 N ALA A 64 -2.426 11.200 0.079 1.00 0.00 N ATOM 968 CA ALA A 64 -3.054 10.786 1.350 1.00 0.00 C ATOM 969 C ALA A 64 -4.280 9.897 1.043 1.00 0.00 C ATOM 970 O ALA A 64 -4.622 8.994 1.806 1.00 0.00 O ATOM 971 CB ALA A 64 -3.446 12.004 2.197 1.00 0.00 C ATOM 0 H ALA A 64 -2.492 12.199 -0.114 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.335 10.211 1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.906 11.668 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.556 12.591 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.155 12.619 1.643 1.00 0.00 H new ATOM 977 N GLN A 65 -4.872 10.133 -0.151 1.00 0.00 N ATOM 978 CA GLN A 65 -5.979 9.326 -0.708 1.00 0.00 C ATOM 979 C GLN A 65 -5.532 7.873 -1.010 1.00 0.00 C ATOM 980 O GLN A 65 -6.361 7.009 -1.278 1.00 0.00 O ATOM 981 CB GLN A 65 -6.527 9.989 -2.002 1.00 0.00 C ATOM 982 CG GLN A 65 -6.915 11.476 -1.868 1.00 0.00 C ATOM 983 CD GLN A 65 -7.894 11.751 -0.725 1.00 0.00 C ATOM 984 OE1 GLN A 65 -9.111 11.676 -0.893 1.00 0.00 O ATOM 985 NE2 GLN A 65 -7.367 12.096 0.440 1.00 0.00 N ATOM 0 H GLN A 65 -4.589 10.900 -0.761 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.768 9.286 0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.774 9.896 -2.785 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.402 9.431 -2.334 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.012 12.066 -1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.359 11.813 -2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.354 12.149 0.546 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.974 12.309 1.231 1.00 0.00 H new ATOM 994 N THR A 66 -4.212 7.626 -1.004 1.00 0.00 N ATOM 995 CA THR A 66 -3.657 6.272 -1.062 1.00 0.00 C ATOM 996 C THR A 66 -3.806 5.598 0.313 1.00 0.00 C ATOM 997 O THR A 66 -4.372 4.512 0.425 1.00 0.00 O ATOM 998 CB THR A 66 -2.152 6.307 -1.505 1.00 0.00 C ATOM 999 OG1 THR A 66 -2.041 6.950 -2.784 1.00 0.00 O ATOM 1000 CG2 THR A 66 -1.518 4.909 -1.592 1.00 0.00 C ATOM 0 H THR A 66 -3.505 8.360 -0.959 1.00 0.00 H new ATOM 0 HA THR A 66 -4.207 5.693 -1.803 1.00 0.00 H new ATOM 0 HB THR A 66 -1.612 6.864 -0.739 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.487 6.404 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.477 5.000 -1.903 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.564 4.427 -0.615 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.063 4.307 -2.319 1.00 0.00 H new ATOM 1008 N PHE A 67 -3.373 6.298 1.370 1.00 0.00 N ATOM 1009 CA PHE A 67 -3.260 5.717 2.733 1.00 0.00 C ATOM 1010 C PHE A 67 -4.579 5.752 3.514 1.00 0.00 C ATOM 1011 O PHE A 67 -4.587 5.449 4.707 1.00 0.00 O ATOM 1012 CB PHE A 67 -2.131 6.426 3.514 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.760 6.208 2.891 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.034 5.121 3.264 1.00 0.00 C ATOM 1015 CD2 PHE A 67 -0.274 7.075 1.913 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.266 4.917 2.680 1.00 0.00 C ATOM 1017 CE2 PHE A 67 0.958 6.868 1.335 1.00 0.00 C ATOM 1018 CZ PHE A 67 1.726 5.791 1.719 1.00 0.00 C ATOM 0 H PHE A 67 -3.091 7.277 1.315 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.012 4.662 2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.340 7.495 3.557 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.121 6.062 4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.321 4.433 4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.872 7.920 1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.871 4.072 2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.322 7.550 0.581 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.693 5.631 1.265 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.687 6.115 2.846 1.00 0.00 N ATOM 1029 CA GLU A 68 -7.033 6.060 3.453 1.00 0.00 C ATOM 1030 C GLU A 68 -7.387 4.613 3.884 1.00 0.00 C ATOM 1031 O GLU A 68 -7.915 4.401 4.985 1.00 0.00 O ATOM 1032 CB GLU A 68 -8.105 6.631 2.488 1.00 0.00 C ATOM 1033 CG GLU A 68 -8.182 5.931 1.118 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.351 6.403 0.237 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -9.397 7.600 -0.122 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -10.235 5.581 -0.094 1.00 0.00 O ATOM 0 H GLU A 68 -5.679 6.451 1.883 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.023 6.684 4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.080 6.563 2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.902 7.690 2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.247 6.099 0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.271 4.856 1.276 1.00 0.00 H new ATOM 1043 N THR A 69 -7.070 3.625 3.017 1.00 0.00 N ATOM 1044 CA THR A 69 -7.384 2.209 3.273 1.00 0.00 C ATOM 1045 C THR A 69 -6.367 1.257 2.595 1.00 0.00 C ATOM 1046 O THR A 69 -5.625 1.649 1.669 1.00 0.00 O ATOM 1047 CB THR A 69 -8.848 1.883 2.797 1.00 0.00 C ATOM 1048 OG1 THR A 69 -9.210 0.531 3.121 1.00 0.00 O ATOM 1049 CG2 THR A 69 -9.031 2.109 1.290 1.00 0.00 C ATOM 0 H THR A 69 -6.594 3.788 2.130 1.00 0.00 H new ATOM 0 HA THR A 69 -7.313 2.045 4.348 1.00 0.00 H new ATOM 0 HB THR A 69 -9.504 2.571 3.330 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.851 0.299 4.003 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.057 1.871 1.008 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.821 3.151 1.050 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.345 1.465 0.740 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.370 -0.003 3.080 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.505 -1.091 2.590 1.00 0.00 C ATOM 1059 C LEU A 70 -5.775 -1.374 1.103 1.00 0.00 C ATOM 1060 O LEU A 70 -4.850 -1.654 0.337 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.756 -2.390 3.416 1.00 0.00 C ATOM 1062 CG LEU A 70 -4.833 -3.608 3.064 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.378 -3.321 3.436 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.318 -4.919 3.717 1.00 0.00 C ATOM 0 H LEU A 70 -6.987 -0.295 3.838 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.468 -0.778 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.631 -2.156 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.794 -2.692 3.277 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.892 -3.747 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.761 -4.182 3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.027 -2.448 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.307 -3.128 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.646 -5.732 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.326 -4.804 4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.325 -5.148 3.369 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.065 -1.286 0.729 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.527 -1.577 -0.625 1.00 0.00 C ATOM 1078 C GLY A 71 -6.944 -0.635 -1.662 1.00 0.00 C ATOM 1079 O GLY A 71 -6.707 -1.041 -2.805 1.00 0.00 O ATOM 0 H GLY A 71 -7.812 -1.009 1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.261 -2.602 -0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.615 -1.513 -0.654 1.00 0.00 H new ATOM 1083 N SER A 72 -6.702 0.624 -1.250 1.00 0.00 N ATOM 1084 CA SER A 72 -6.087 1.638 -2.111 1.00 0.00 C ATOM 1085 C SER A 72 -4.599 1.301 -2.356 1.00 0.00 C ATOM 1086 O SER A 72 -4.189 1.223 -3.513 1.00 0.00 O ATOM 1087 CB SER A 72 -6.266 3.044 -1.502 1.00 0.00 C ATOM 1088 OG SER A 72 -7.642 3.373 -1.357 1.00 0.00 O ATOM 0 H SER A 72 -6.928 0.960 -0.314 1.00 0.00 H new ATOM 0 HA SER A 72 -6.589 1.636 -3.079 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.775 3.087 -0.530 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.778 3.783 -2.138 1.00 0.00 H new ATOM 0 HG SER A 72 -7.725 4.268 -0.967 1.00 0.00 H new ATOM 1094 N LEU A 73 -3.809 1.058 -1.265 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.385 0.609 -1.373 1.00 0.00 C ATOM 1096 C LEU A 73 -2.258 -0.612 -2.300 1.00 0.00 C ATOM 1097 O LEU A 73 -1.388 -0.664 -3.175 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.799 0.232 0.027 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.253 1.383 0.922 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.102 2.132 0.227 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.367 2.343 1.349 1.00 0.00 C ATOM 0 H LEU A 73 -4.134 1.165 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.823 1.445 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.577 -0.286 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.990 -0.482 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.852 0.929 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.258 2.930 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.712 1.437 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.460 2.560 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.948 3.133 1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.826 2.784 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.121 1.796 1.915 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.157 -1.572 -2.066 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.210 -2.838 -2.788 1.00 0.00 C ATOM 1115 C ALA A 74 -3.516 -2.617 -4.271 1.00 0.00 C ATOM 1116 O ALA A 74 -2.927 -3.276 -5.110 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.239 -3.759 -2.140 1.00 0.00 C ATOM 0 H ALA A 74 -3.882 -1.485 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.232 -3.315 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.275 -4.703 -2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.958 -3.947 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.221 -3.286 -2.170 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.420 -1.658 -4.567 1.00 0.00 N ATOM 1124 CA LEU A 75 -4.819 -1.297 -5.942 1.00 0.00 C ATOM 1125 C LEU A 75 -3.594 -0.739 -6.710 1.00 0.00 C ATOM 1126 O LEU A 75 -3.308 -1.163 -7.840 1.00 0.00 O ATOM 1127 CB LEU A 75 -5.994 -0.254 -5.916 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.114 -0.417 -7.001 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -6.559 -0.325 -8.437 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -7.897 -1.729 -6.784 1.00 0.00 C ATOM 0 H LEU A 75 -4.896 -1.109 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.177 -2.188 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.465 -0.298 -4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.565 0.743 -6.019 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.804 0.418 -6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.374 -0.444 -9.151 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.088 0.647 -8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.822 -1.113 -8.593 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.669 -1.822 -7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.214 -2.576 -6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.361 -1.717 -5.798 1.00 0.00 H new ATOM 1142 N PHE A 76 -2.864 0.189 -6.059 1.00 0.00 N ATOM 1143 CA PHE A 76 -1.675 0.833 -6.645 1.00 0.00 C ATOM 1144 C PHE A 76 -0.577 -0.200 -6.952 1.00 0.00 C ATOM 1145 O PHE A 76 0.011 -0.164 -8.030 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.140 1.980 -5.739 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.018 3.238 -5.777 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -2.011 4.076 -6.891 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -2.853 3.574 -4.719 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -2.807 5.205 -6.940 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -3.650 4.702 -4.765 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.626 5.517 -5.876 1.00 0.00 C ATOM 0 H PHE A 76 -3.082 0.511 -5.116 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.979 1.283 -7.590 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.073 1.622 -4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.129 2.240 -6.052 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.373 3.839 -7.730 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.880 2.942 -3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.787 5.842 -7.812 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.291 4.945 -3.931 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.248 6.399 -5.913 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.327 -1.144 -6.022 1.00 0.00 N ATOM 1163 CA VAL A 77 0.669 -2.217 -6.248 1.00 0.00 C ATOM 1164 C VAL A 77 0.170 -3.275 -7.261 1.00 0.00 C ATOM 1165 O VAL A 77 0.997 -3.967 -7.859 1.00 0.00 O ATOM 1166 CB VAL A 77 1.198 -2.877 -4.927 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.855 -1.818 -4.018 1.00 0.00 C ATOM 1168 CG2 VAL A 77 0.096 -3.638 -4.181 1.00 0.00 C ATOM 0 H VAL A 77 -0.794 -1.188 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 77 1.530 -1.719 -6.693 1.00 0.00 H new ATOM 0 HB VAL A 77 1.954 -3.610 -5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.216 -2.294 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.692 -1.357 -4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.122 -1.053 -3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.508 -4.078 -3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.707 -2.950 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.298 -4.428 -4.821 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.176 -3.428 -7.448 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.711 -4.216 -8.594 1.00 0.00 C ATOM 1180 C GLU A 78 -1.140 -3.614 -9.892 1.00 0.00 C ATOM 1181 O GLU A 78 -0.543 -4.321 -10.696 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.269 -4.222 -8.713 1.00 0.00 C ATOM 1183 CG GLU A 78 -4.059 -4.774 -7.518 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.624 -6.170 -7.060 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -3.589 -7.101 -7.893 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.364 -6.364 -5.857 1.00 0.00 O ATOM 0 H GLU A 78 -1.889 -3.028 -6.838 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.409 -5.250 -8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.599 -3.199 -8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.539 -4.803 -9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.958 -4.083 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.117 -4.804 -7.780 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.294 -2.271 -10.021 1.00 0.00 N ATOM 1194 CA HIS A 79 -0.787 -1.493 -11.176 1.00 0.00 C ATOM 1195 C HIS A 79 0.720 -1.723 -11.405 1.00 0.00 C ATOM 1196 O HIS A 79 1.138 -2.021 -12.517 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.037 0.035 -10.986 1.00 0.00 C ATOM 1198 CG HIS A 79 -2.471 0.494 -11.106 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -3.086 0.721 -12.318 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -3.392 0.818 -10.164 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -4.312 1.161 -12.113 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -4.524 1.227 -10.817 1.00 0.00 N ATOM 0 H HIS A 79 -1.774 -1.699 -9.326 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.337 -1.847 -12.048 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.666 0.324 -10.003 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.441 0.574 -11.723 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -2.659 0.572 -13.232 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -3.257 0.763 -9.094 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.024 1.424 -12.882 1.00 0.00 H new ATOM 1211 N LYS A 80 1.515 -1.599 -10.329 1.00 0.00 N ATOM 1212 CA LYS A 80 2.993 -1.599 -10.425 1.00 0.00 C ATOM 1213 C LYS A 80 3.552 -2.966 -10.842 1.00 0.00 C ATOM 1214 O LYS A 80 4.445 -3.050 -11.684 1.00 0.00 O ATOM 1215 CB LYS A 80 3.642 -1.156 -9.085 1.00 0.00 C ATOM 1216 CG LYS A 80 3.097 0.162 -8.491 1.00 0.00 C ATOM 1217 CD LYS A 80 2.998 1.313 -9.510 1.00 0.00 C ATOM 1218 CE LYS A 80 4.354 1.777 -10.066 1.00 0.00 C ATOM 1219 NZ LYS A 80 4.174 2.879 -11.049 1.00 0.00 N ATOM 0 H LYS A 80 1.162 -1.497 -9.378 1.00 0.00 H new ATOM 0 HA LYS A 80 3.249 -0.880 -11.203 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.502 -1.951 -8.352 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.716 -1.049 -9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.109 -0.022 -8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.742 0.472 -7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.366 0.996 -10.340 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.502 2.161 -9.037 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.991 2.114 -9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.863 0.939 -10.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.105 3.211 -11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.627 2.532 -11.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.664 3.666 -10.599 1.00 0.00 H new ATOM 1233 N LEU A 81 3.009 -4.030 -10.238 1.00 0.00 N ATOM 1234 CA LEU A 81 3.494 -5.408 -10.447 1.00 0.00 C ATOM 1235 C LEU A 81 2.891 -6.039 -11.724 1.00 0.00 C ATOM 1236 O LEU A 81 3.393 -7.059 -12.202 1.00 0.00 O ATOM 1237 CB LEU A 81 3.213 -6.285 -9.183 1.00 0.00 C ATOM 1238 CG LEU A 81 4.152 -6.059 -7.938 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.625 -6.379 -8.264 1.00 0.00 C ATOM 1240 CD2 LEU A 81 4.019 -4.636 -7.344 1.00 0.00 C ATOM 0 H LEU A 81 2.223 -3.965 -9.591 1.00 0.00 H new ATOM 0 HA LEU A 81 4.573 -5.366 -10.596 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.184 -6.108 -8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.282 -7.333 -9.475 1.00 0.00 H new ATOM 0 HG LEU A 81 3.815 -6.761 -7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.238 -6.210 -7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.711 -7.421 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.968 -5.732 -9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.688 -4.535 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.285 -3.899 -8.102 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.991 -4.471 -7.022 1.00 0.00 H new ATOM 1252 N SER A 82 1.821 -5.423 -12.276 1.00 0.00 N ATOM 1253 CA SER A 82 1.140 -5.918 -13.501 1.00 0.00 C ATOM 1254 C SER A 82 1.414 -5.024 -14.735 1.00 0.00 C ATOM 1255 O SER A 82 1.086 -5.408 -15.867 1.00 0.00 O ATOM 1256 CB SER A 82 -0.375 -6.032 -13.240 1.00 0.00 C ATOM 1257 OG SER A 82 -0.642 -6.888 -12.135 1.00 0.00 O ATOM 0 H SER A 82 1.405 -4.575 -11.891 1.00 0.00 H new ATOM 0 HA SER A 82 1.549 -6.902 -13.732 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.789 -5.043 -13.046 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.873 -6.417 -14.130 1.00 0.00 H new ATOM 0 HG SER A 82 -0.713 -6.353 -11.317 1.00 0.00 H new