USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 1 THR OG1 : rot 180:sc= -0.205 USER MOD Set 1.2: A 84 THR OG1 : rot 157:sc= -0.0085 USER MOD Set 2.1: A 53 GLN :FLIP amide:sc= -2.31! F(o=-3.1,f=-2.6!) USER MOD Set 2.2: A 58 ASN : amide:sc= -0.282 K(o=-2.6,f=-3.1) USER MOD Single : A 1 THR N :NH3+ 178:sc= 0.203 (180deg=0.199) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.272 K(o=-0.27,f=-2.5!) USER MOD Single : A 6 MET CE :methyl 170:sc= 0 (180deg=-0.128) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 29 TYR OH : rot 10:sc= 1.27 USER MOD Single : A 32 SER OG : rot 59:sc= 0.632 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 169:sc= 0 (180deg=-0.124) USER MOD Single : A 55 ASN : amide:sc= -3.97! C(o=-4!,f=-8.7!) USER MOD Single : A 61 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.1) USER MOD Single : A 62 MET CE :methyl -148:sc= -4.89! (180deg=-7.18!) USER MOD Single : A 63 SER OG : rot -51:sc= 0.199 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0.033) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 73:sc= 1.1 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 8.081 -5.142 -0.090 1.00 0.00 N ATOM 2 CA THR A 1 7.694 -4.365 -1.255 1.00 0.00 C ATOM 3 C THR A 1 7.341 -5.290 -2.421 1.00 0.00 C ATOM 4 O THR A 1 7.792 -6.434 -2.469 1.00 0.00 O ATOM 5 CB THR A 1 8.832 -3.392 -1.573 1.00 0.00 C ATOM 6 OG1 THR A 1 8.340 -2.629 -2.673 1.00 0.00 O ATOM 7 CG2 THR A 1 10.067 -4.100 -2.135 1.00 0.00 C ATOM 0 H1 THR A 1 8.350 -4.499 0.682 1.00 0.00 H new ATOM 0 H2 THR A 1 7.281 -5.733 0.214 1.00 0.00 H new ATOM 0 H3 THR A 1 8.889 -5.751 -0.331 1.00 0.00 H new ATOM 0 HA THR A 1 6.793 -3.783 -1.061 1.00 0.00 H new ATOM 0 HB THR A 1 9.105 -2.846 -0.670 1.00 0.00 H new ATOM 0 HG1 THR A 1 9.015 -1.972 -2.943 1.00 0.00 H new ATOM 0 HG21 THR A 1 10.844 -3.365 -2.344 1.00 0.00 H new ATOM 0 HG22 THR A 1 10.436 -4.821 -1.406 1.00 0.00 H new ATOM 0 HG23 THR A 1 9.801 -4.619 -3.056 1.00 0.00 H new ATOM 15 N VAL A 2 6.539 -4.761 -3.333 1.00 0.00 N ATOM 16 CA VAL A 2 6.121 -5.526 -4.495 1.00 0.00 C ATOM 17 C VAL A 2 5.984 -4.587 -5.696 1.00 0.00 C ATOM 18 O VAL A 2 5.284 -3.579 -5.623 1.00 0.00 O ATOM 19 CB VAL A 2 4.832 -6.289 -4.184 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.406 -7.155 -5.372 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.987 -7.133 -2.918 1.00 0.00 C ATOM 0 H VAL A 2 6.168 -3.812 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 2 6.872 -6.274 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 2 4.045 -5.557 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.487 -7.686 -5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.235 -6.521 -6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.192 -7.876 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.057 -7.665 -2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.794 -7.852 -3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.221 -6.484 -2.074 1.00 0.00 H new ATOM 31 N THR A 3 6.665 -4.951 -6.772 1.00 0.00 N ATOM 32 CA THR A 3 6.629 -4.154 -7.987 1.00 0.00 C ATOM 33 C THR A 3 5.655 -4.764 -8.996 1.00 0.00 C ATOM 34 O THR A 3 6.018 -5.665 -9.750 1.00 0.00 O ATOM 35 CB THR A 3 8.059 -4.037 -8.518 1.00 0.00 C ATOM 36 OG1 THR A 3 8.729 -3.248 -7.538 1.00 0.00 O ATOM 37 CG2 THR A 3 8.143 -3.196 -9.794 1.00 0.00 C ATOM 0 H THR A 3 7.246 -5.788 -6.828 1.00 0.00 H new ATOM 0 HA THR A 3 6.257 -3.149 -7.790 1.00 0.00 H new ATOM 0 HB THR A 3 8.457 -5.033 -8.713 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.665 -3.124 -7.802 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.179 -3.145 -10.129 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.533 -3.654 -10.572 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.777 -2.189 -9.591 1.00 0.00 H new ATOM 45 N LEU A 4 4.434 -4.247 -8.977 1.00 0.00 N ATOM 46 CA LEU A 4 3.404 -4.730 -9.882 1.00 0.00 C ATOM 47 C LEU A 4 3.857 -4.513 -11.327 1.00 0.00 C ATOM 48 O LEU A 4 4.928 -3.957 -11.568 1.00 0.00 O ATOM 49 CB LEU A 4 2.058 -4.080 -9.555 1.00 0.00 C ATOM 50 CG LEU A 4 1.058 -4.954 -8.794 1.00 0.00 C ATOM 51 CD1 LEU A 4 -0.308 -4.270 -8.702 1.00 0.00 C ATOM 52 CD2 LEU A 4 0.962 -6.347 -9.418 1.00 0.00 C ATOM 0 H LEU A 4 4.136 -3.500 -8.350 1.00 0.00 H new ATOM 0 HA LEU A 4 3.255 -5.802 -9.753 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.244 -3.181 -8.968 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.595 -3.761 -10.489 1.00 0.00 H new ATOM 0 HG LEU A 4 1.422 -5.083 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.000 -4.912 -8.157 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.205 -3.320 -8.178 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.693 -4.091 -9.706 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.245 -6.948 -8.858 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.633 -6.260 -10.453 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.940 -6.828 -9.387 1.00 0.00 H new ATOM 63 N ASN A 5 3.020 -4.962 -12.250 1.00 0.00 N ATOM 64 CA ASN A 5 3.321 -4.825 -13.664 1.00 0.00 C ATOM 65 C ASN A 5 2.595 -3.597 -14.218 1.00 0.00 C ATOM 66 O ASN A 5 1.622 -3.128 -13.630 1.00 0.00 O ATOM 67 CB ASN A 5 2.847 -6.049 -14.450 1.00 0.00 C ATOM 68 CG ASN A 5 4.024 -6.957 -14.811 1.00 0.00 C ATOM 69 OD1 ASN A 5 5.158 -6.731 -14.423 1.00 0.00 O ATOM 70 ND2 ASN A 5 3.692 -7.994 -15.575 1.00 0.00 N ATOM 0 H ASN A 5 2.133 -5.421 -12.046 1.00 0.00 H new ATOM 0 HA ASN A 5 4.401 -4.725 -13.771 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.121 -6.607 -13.859 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.339 -5.728 -15.359 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.407 -8.659 -15.871 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.723 -8.124 -15.865 1.00 0.00 H new ATOM 76 N MET A 6 3.096 -3.110 -15.345 1.00 0.00 N ATOM 77 CA MET A 6 2.508 -1.947 -15.985 1.00 0.00 C ATOM 78 C MET A 6 2.566 -0.727 -15.064 1.00 0.00 C ATOM 79 O MET A 6 2.904 -0.848 -13.887 1.00 0.00 O ATOM 80 CB MET A 6 1.052 -2.246 -16.348 1.00 0.00 C ATOM 81 CG MET A 6 0.726 -1.749 -17.758 1.00 0.00 C ATOM 82 SD MET A 6 -0.495 -2.812 -18.512 1.00 0.00 S ATOM 83 CE MET A 6 -1.888 -2.490 -17.442 1.00 0.00 C ATOM 0 H MET A 6 3.903 -3.501 -15.831 1.00 0.00 H new ATOM 0 HA MET A 6 3.078 -1.724 -16.887 1.00 0.00 H new ATOM 0 HB2 MET A 6 0.871 -3.319 -16.286 1.00 0.00 H new ATOM 0 HB3 MET A 6 0.388 -1.768 -15.627 1.00 0.00 H new ATOM 0 HG2 MET A 6 0.353 -0.726 -17.715 1.00 0.00 H new ATOM 0 HG3 MET A 6 1.631 -1.733 -18.365 1.00 0.00 H new ATOM 0 HE1 MET A 6 -2.786 -2.934 -17.871 1.00 0.00 H new ATOM 0 HE2 MET A 6 -1.701 -2.925 -16.460 1.00 0.00 H new ATOM 0 HE3 MET A 6 -2.028 -1.414 -17.341 1.00 0.00 H new ATOM 91 N GLU A 7 2.230 0.422 -15.633 1.00 0.00 N ATOM 92 CA GLU A 7 2.239 1.662 -14.878 1.00 0.00 C ATOM 93 C GLU A 7 1.012 2.507 -15.229 1.00 0.00 C ATOM 94 O GLU A 7 0.320 2.225 -16.206 1.00 0.00 O ATOM 95 CB GLU A 7 3.531 2.444 -15.124 1.00 0.00 C ATOM 96 CG GLU A 7 4.572 2.135 -14.046 1.00 0.00 C ATOM 97 CD GLU A 7 5.509 1.011 -14.495 1.00 0.00 C ATOM 98 OE1 GLU A 7 5.607 -0.022 -13.817 1.00 0.00 O ATOM 99 OE2 GLU A 7 6.148 1.241 -15.592 1.00 0.00 O ATOM 0 H GLU A 7 1.950 0.519 -16.609 1.00 0.00 H new ATOM 0 HA GLU A 7 2.196 1.418 -13.816 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.932 2.191 -16.105 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.317 3.513 -15.133 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.152 3.032 -13.828 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.070 1.848 -13.122 1.00 0.00 H new ATOM 105 N ARG A 8 0.781 3.525 -14.414 1.00 0.00 N ATOM 106 CA ARG A 8 -0.350 4.412 -14.625 1.00 0.00 C ATOM 107 C ARG A 8 -1.604 3.602 -14.965 1.00 0.00 C ATOM 108 O ARG A 8 -1.835 3.267 -16.126 1.00 0.00 O ATOM 109 CB ARG A 8 -0.070 5.402 -15.758 1.00 0.00 C ATOM 110 CG ARG A 8 1.149 6.270 -15.437 1.00 0.00 C ATOM 111 CD ARG A 8 0.721 7.655 -14.948 1.00 0.00 C ATOM 112 NE ARG A 8 0.000 8.371 -16.025 1.00 0.00 N ATOM 113 CZ ARG A 8 -0.182 9.708 -16.054 1.00 0.00 C ATOM 114 NH1 ARG A 8 0.302 10.488 -15.064 1.00 0.00 N ATOM 115 NH2 ARG A 8 -0.843 10.242 -17.064 1.00 0.00 N ATOM 0 H ARG A 8 1.358 3.756 -13.605 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.511 4.969 -13.702 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.100 4.858 -16.687 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.942 6.037 -15.915 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.757 5.783 -14.674 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.773 6.370 -16.325 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.080 7.558 -14.072 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.596 8.228 -14.641 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.383 7.819 -16.793 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.810 10.068 -14.286 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.160 11.498 -15.094 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.207 9.646 -17.807 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.989 11.251 -17.101 1.00 0.00 H new ATOM 125 N HIS A 9 -2.378 3.310 -13.931 1.00 0.00 N ATOM 126 CA HIS A 9 -3.602 2.546 -14.105 1.00 0.00 C ATOM 127 C HIS A 9 -4.325 2.422 -12.762 1.00 0.00 C ATOM 128 O HIS A 9 -3.905 1.657 -11.895 1.00 0.00 O ATOM 129 CB HIS A 9 -3.309 1.189 -14.747 1.00 0.00 C ATOM 130 CG HIS A 9 -4.170 0.878 -15.948 1.00 0.00 C ATOM 131 ND1 HIS A 9 -5.156 -0.093 -15.931 1.00 0.00 N ATOM 132 CD2 HIS A 9 -4.185 1.421 -17.199 1.00 0.00 C ATOM 133 CE1 HIS A 9 -5.730 -0.125 -17.125 1.00 0.00 C ATOM 134 NE2 HIS A 9 -5.126 0.814 -17.909 1.00 0.00 N ATOM 0 H HIS A 9 -2.182 3.588 -12.970 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.268 3.071 -14.790 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -2.261 1.159 -15.047 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -3.449 0.408 -14.000 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.539 2.212 -17.552 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.535 -0.780 -17.425 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -5.360 1.016 -18.881 1.00 0.00 H new ATOM 141 N HIS A 10 -5.400 3.186 -12.632 1.00 0.00 N ATOM 142 CA HIS A 10 -6.185 3.171 -11.409 1.00 0.00 C ATOM 143 C HIS A 10 -7.196 2.025 -11.462 1.00 0.00 C ATOM 144 O HIS A 10 -8.103 2.029 -12.294 1.00 0.00 O ATOM 145 CB HIS A 10 -6.844 4.531 -11.170 1.00 0.00 C ATOM 146 CG HIS A 10 -7.260 4.769 -9.739 1.00 0.00 C ATOM 147 ND1 HIS A 10 -8.395 4.203 -9.183 1.00 0.00 N ATOM 148 CD2 HIS A 10 -6.682 5.516 -8.755 1.00 0.00 C ATOM 149 CE1 HIS A 10 -8.485 4.599 -7.923 1.00 0.00 C ATOM 150 NE2 HIS A 10 -7.423 5.413 -7.658 1.00 0.00 N ATOM 0 H HIS A 10 -5.746 3.819 -13.353 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.531 2.993 -10.555 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.151 5.317 -11.472 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.721 4.616 -11.811 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.775 6.094 -8.852 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -9.264 4.325 -7.226 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.230 5.867 -6.765 1.00 0.00 H new ATOM 157 N PHE A 11 -7.006 1.069 -10.564 1.00 0.00 N ATOM 158 CA PHE A 11 -7.890 -0.082 -10.499 1.00 0.00 C ATOM 159 C PHE A 11 -7.841 -0.734 -9.115 1.00 0.00 C ATOM 160 O PHE A 11 -6.857 -0.587 -8.391 1.00 0.00 O ATOM 161 CB PHE A 11 -7.394 -1.088 -11.540 1.00 0.00 C ATOM 162 CG PHE A 11 -8.498 -1.966 -12.133 1.00 0.00 C ATOM 163 CD1 PHE A 11 -9.253 -1.504 -13.165 1.00 0.00 C ATOM 164 CD2 PHE A 11 -8.723 -3.208 -11.628 1.00 0.00 C ATOM 165 CE1 PHE A 11 -10.278 -2.319 -13.716 1.00 0.00 C ATOM 166 CE2 PHE A 11 -9.749 -4.023 -12.177 1.00 0.00 C ATOM 167 CZ PHE A 11 -10.504 -3.561 -13.210 1.00 0.00 C ATOM 0 H PHE A 11 -6.253 1.068 -9.876 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.917 0.228 -10.690 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.902 -0.546 -12.348 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.641 -1.729 -11.081 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.074 -0.517 -13.566 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.122 -3.575 -10.809 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.877 -1.952 -14.536 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.929 -5.009 -11.774 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.283 -4.181 -13.628 1.00 0.00 H new ATOM 176 N LEU A 12 -8.914 -1.438 -8.788 1.00 0.00 N ATOM 177 CA LEU A 12 -9.006 -2.112 -7.505 1.00 0.00 C ATOM 178 C LEU A 12 -9.240 -1.074 -6.405 1.00 0.00 C ATOM 179 O LEU A 12 -8.754 0.052 -6.496 1.00 0.00 O ATOM 180 CB LEU A 12 -7.774 -2.988 -7.271 1.00 0.00 C ATOM 181 CG LEU A 12 -7.922 -4.083 -6.213 1.00 0.00 C ATOM 182 CD1 LEU A 12 -7.812 -3.502 -4.802 1.00 0.00 C ATOM 183 CD2 LEU A 12 -9.222 -4.866 -6.411 1.00 0.00 C ATOM 0 H LEU A 12 -9.728 -1.556 -9.391 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.859 -2.791 -7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.502 -3.458 -8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.943 -2.343 -6.985 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.100 -4.788 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.921 -4.302 -4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.839 -3.027 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.598 -2.762 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.302 -5.638 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.071 -4.187 -6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.220 -5.331 -7.397 1.00 0.00 H new ATOM 194 N GLY A 13 -9.985 -1.490 -5.392 1.00 0.00 N ATOM 195 CA GLY A 13 -10.290 -0.611 -4.276 1.00 0.00 C ATOM 196 C GLY A 13 -9.366 -0.891 -3.089 1.00 0.00 C ATOM 197 O GLY A 13 -9.382 -1.986 -2.530 1.00 0.00 O ATOM 0 H GLY A 13 -10.387 -2.425 -5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.183 0.428 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.328 -0.748 -3.974 1.00 0.00 H new ATOM 201 N ILE A 14 -8.582 0.119 -2.740 1.00 0.00 N ATOM 202 CA ILE A 14 -7.653 -0.005 -1.630 1.00 0.00 C ATOM 203 C ILE A 14 -8.031 1.000 -0.539 1.00 0.00 C ATOM 204 O ILE A 14 -8.886 1.857 -0.751 1.00 0.00 O ATOM 205 CB ILE A 14 -6.210 0.134 -2.120 1.00 0.00 C ATOM 206 CG1 ILE A 14 -6.111 1.166 -3.245 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.640 -1.224 -2.535 1.00 0.00 C ATOM 208 CD1 ILE A 14 -6.397 2.575 -2.723 1.00 0.00 C ATOM 0 H ILE A 14 -8.571 1.026 -3.206 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.720 -0.999 -1.187 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.601 0.500 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.115 1.133 -3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.819 0.917 -4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.614 -1.098 -2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.656 -1.901 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.244 -1.641 -3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.320 3.289 -3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.403 2.611 -2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.672 2.831 -1.950 1.00 0.00 H new ATOM 219 N SER A 15 -7.374 0.861 0.603 1.00 0.00 N ATOM 220 CA SER A 15 -7.630 1.745 1.726 1.00 0.00 C ATOM 221 C SER A 15 -6.489 1.648 2.741 1.00 0.00 C ATOM 222 O SER A 15 -5.802 0.630 2.812 1.00 0.00 O ATOM 223 CB SER A 15 -8.965 1.412 2.397 1.00 0.00 C ATOM 224 OG SER A 15 -9.818 2.551 2.482 1.00 0.00 O ATOM 0 H SER A 15 -6.664 0.149 0.774 1.00 0.00 H new ATOM 0 HA SER A 15 -7.687 2.766 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.467 0.624 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.780 1.022 3.398 1.00 0.00 H new ATOM 0 HG SER A 15 -10.660 2.297 2.914 1.00 0.00 H new ATOM 229 N ILE A 16 -6.321 2.721 3.500 1.00 0.00 N ATOM 230 CA ILE A 16 -5.274 2.769 4.506 1.00 0.00 C ATOM 231 C ILE A 16 -5.912 2.831 5.895 1.00 0.00 C ATOM 232 O ILE A 16 -7.130 2.957 6.019 1.00 0.00 O ATOM 233 CB ILE A 16 -4.308 3.921 4.221 1.00 0.00 C ATOM 234 CG1 ILE A 16 -5.036 5.267 4.253 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.568 3.700 2.901 1.00 0.00 C ATOM 236 CD1 ILE A 16 -4.510 6.148 5.387 1.00 0.00 C ATOM 0 H ILE A 16 -6.892 3.564 3.438 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.670 1.862 4.471 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.557 3.943 5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.904 5.778 3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.106 5.103 4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.888 4.533 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.999 2.772 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.289 3.638 2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.044 7.098 5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.665 5.644 6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.445 6.330 5.242 1.00 0.00 H new ATOM 247 N VAL A 17 -5.061 2.739 6.907 1.00 0.00 N ATOM 248 CA VAL A 17 -5.525 2.784 8.284 1.00 0.00 C ATOM 249 C VAL A 17 -4.322 2.914 9.219 1.00 0.00 C ATOM 250 O VAL A 17 -3.177 2.870 8.773 1.00 0.00 O ATOM 251 CB VAL A 17 -6.387 1.556 8.584 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.535 0.285 8.625 1.00 0.00 C ATOM 253 CG2 VAL A 17 -7.163 1.737 9.889 1.00 0.00 C ATOM 0 H VAL A 17 -4.052 2.633 6.801 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.157 3.657 8.447 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.110 1.449 7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.172 -0.573 8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.047 0.143 7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.778 0.379 9.404 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.768 0.850 10.079 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.463 1.882 10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.813 2.608 9.808 1.00 0.00 H new ATOM 263 N GLY A 18 -4.624 3.073 10.500 1.00 0.00 N ATOM 264 CA GLY A 18 -3.582 3.210 11.502 1.00 0.00 C ATOM 265 C GLY A 18 -3.954 2.463 12.785 1.00 0.00 C ATOM 266 O GLY A 18 -4.832 1.603 12.775 1.00 0.00 O ATOM 0 H GLY A 18 -5.575 3.110 10.866 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.642 2.821 11.110 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.423 4.265 11.724 1.00 0.00 H new ATOM 270 N GLN A 19 -3.266 2.820 13.860 1.00 0.00 N ATOM 271 CA GLN A 19 -3.513 2.195 15.148 1.00 0.00 C ATOM 272 C GLN A 19 -2.698 2.892 16.241 1.00 0.00 C ATOM 273 O GLN A 19 -3.255 3.354 17.235 1.00 0.00 O ATOM 274 CB GLN A 19 -3.199 0.699 15.101 1.00 0.00 C ATOM 275 CG GLN A 19 -4.392 -0.127 15.587 1.00 0.00 C ATOM 276 CD GLN A 19 -4.139 -0.682 16.990 1.00 0.00 C ATOM 277 OE1 GLN A 19 -3.951 0.047 17.949 1.00 0.00 O ATOM 278 NE2 GLN A 19 -4.145 -2.010 17.055 1.00 0.00 N ATOM 0 H GLN A 19 -2.538 3.534 13.865 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.571 2.303 15.385 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.943 0.409 14.082 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.328 0.487 15.721 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.289 0.492 15.593 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.576 -0.949 14.895 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.309 -2.561 16.213 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.986 -2.478 17.947 1.00 0.00 H new ATOM 285 N SER A 20 -1.392 2.944 16.019 1.00 0.00 N ATOM 286 CA SER A 20 -0.496 3.576 16.972 1.00 0.00 C ATOM 287 C SER A 20 -0.853 3.139 18.394 1.00 0.00 C ATOM 288 O SER A 20 -1.660 3.785 19.061 1.00 0.00 O ATOM 289 CB SER A 20 -0.552 5.100 16.854 1.00 0.00 C ATOM 290 OG SER A 20 0.097 5.568 15.675 1.00 0.00 O ATOM 0 H SER A 20 -0.934 2.559 15.193 1.00 0.00 H new ATOM 0 HA SER A 20 0.522 3.259 16.747 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.592 5.425 16.849 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.082 5.549 17.729 1.00 0.00 H new ATOM 0 HG SER A 20 0.038 6.545 15.635 1.00 0.00 H new ATOM 295 N ASN A 21 -0.235 2.046 18.817 1.00 0.00 N ATOM 296 CA ASN A 21 -0.477 1.516 20.148 1.00 0.00 C ATOM 297 C ASN A 21 0.650 1.962 21.083 1.00 0.00 C ATOM 298 O ASN A 21 0.399 2.615 22.094 1.00 0.00 O ATOM 299 CB ASN A 21 -0.504 -0.013 20.135 1.00 0.00 C ATOM 300 CG ASN A 21 -1.484 -0.553 21.179 1.00 0.00 C ATOM 301 OD1 ASN A 21 -1.685 0.021 22.236 1.00 0.00 O ATOM 302 ND2 ASN A 21 -2.080 -1.689 20.824 1.00 0.00 N ATOM 0 H ASN A 21 0.433 1.513 18.261 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.442 1.891 20.490 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.791 -0.367 19.145 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.495 -0.400 20.335 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.751 -2.131 21.453 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.866 -2.117 19.923 1.00 0.00 H new ATOM 308 N ASP A 22 1.865 1.591 20.710 1.00 0.00 N ATOM 309 CA ASP A 22 3.031 1.945 21.502 1.00 0.00 C ATOM 310 C ASP A 22 3.331 3.434 21.324 1.00 0.00 C ATOM 311 O ASP A 22 2.820 4.068 20.401 1.00 0.00 O ATOM 312 CB ASP A 22 4.264 1.157 21.051 1.00 0.00 C ATOM 313 CG ASP A 22 5.035 0.464 22.176 1.00 0.00 C ATOM 314 OD1 ASP A 22 5.995 1.020 22.729 1.00 0.00 O ATOM 315 OD2 ASP A 22 4.608 -0.712 22.486 1.00 0.00 O ATOM 0 H ASP A 22 2.068 1.049 19.870 1.00 0.00 H new ATOM 0 HA ASP A 22 2.814 1.710 22.544 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.951 0.404 20.328 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.941 1.836 20.532 1.00 0.00 H new ATOM 320 N ARG A 23 4.159 3.951 22.221 1.00 0.00 N ATOM 321 CA ARG A 23 4.532 5.354 22.175 1.00 0.00 C ATOM 322 C ARG A 23 5.106 5.705 20.800 1.00 0.00 C ATOM 323 O ARG A 23 5.997 5.019 20.301 1.00 0.00 O ATOM 324 CB ARG A 23 5.568 5.684 23.251 1.00 0.00 C ATOM 325 CG ARG A 23 5.071 6.806 24.165 1.00 0.00 C ATOM 326 CD ARG A 23 6.162 7.239 25.145 1.00 0.00 C ATOM 327 NE ARG A 23 5.925 6.625 26.470 1.00 0.00 N ATOM 328 CZ ARG A 23 6.440 7.096 27.626 1.00 0.00 C ATOM 329 NH1 ARG A 23 7.226 8.194 27.629 1.00 0.00 N ATOM 330 NH2 ARG A 23 6.162 6.469 28.754 1.00 0.00 N ATOM 0 H ARG A 23 4.582 3.422 22.984 1.00 0.00 H new ATOM 0 HA ARG A 23 3.633 5.943 22.359 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.778 4.794 23.844 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.505 5.982 22.780 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.759 7.659 23.563 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.194 6.468 24.718 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.140 6.942 24.767 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.171 8.325 25.235 1.00 0.00 H new ATOM 0 HE ARG A 23 5.336 5.794 26.513 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.435 8.674 26.754 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.611 8.543 28.507 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.566 5.641 28.744 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.543 6.812 29.636 1.00 0.00 H new ATOM 340 N GLY A 24 4.570 6.772 20.226 1.00 0.00 N ATOM 341 CA GLY A 24 5.018 7.223 18.919 1.00 0.00 C ATOM 342 C GLY A 24 5.352 6.036 18.015 1.00 0.00 C ATOM 343 O GLY A 24 4.802 4.947 18.184 1.00 0.00 O ATOM 0 H GLY A 24 3.830 7.337 20.642 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.242 7.831 18.455 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.897 7.858 19.031 1.00 0.00 H new ATOM 347 N ASP A 25 6.251 6.284 17.073 1.00 0.00 N ATOM 348 CA ASP A 25 6.664 5.248 16.142 1.00 0.00 C ATOM 349 C ASP A 25 5.428 4.511 15.623 1.00 0.00 C ATOM 350 O ASP A 25 4.996 3.523 16.215 1.00 0.00 O ATOM 351 CB ASP A 25 7.573 4.224 16.825 1.00 0.00 C ATOM 352 CG ASP A 25 8.206 3.194 15.887 1.00 0.00 C ATOM 353 OD1 ASP A 25 9.095 3.521 15.087 1.00 0.00 O ATOM 354 OD2 ASP A 25 7.744 1.995 16.002 1.00 0.00 O ATOM 0 H ASP A 25 6.704 7.187 16.935 1.00 0.00 H new ATOM 0 HA ASP A 25 7.207 5.725 15.326 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.369 4.757 17.345 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.995 3.696 17.583 1.00 0.00 H new ATOM 359 N GLY A 26 4.894 5.020 14.522 1.00 0.00 N ATOM 360 CA GLY A 26 3.715 4.422 13.917 1.00 0.00 C ATOM 361 C GLY A 26 4.004 3.973 12.484 1.00 0.00 C ATOM 362 O GLY A 26 5.028 4.340 11.908 1.00 0.00 O ATOM 0 H GLY A 26 5.256 5.839 14.033 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.390 3.568 14.511 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.896 5.141 13.919 1.00 0.00 H new ATOM 366 N GLY A 27 3.083 3.185 11.948 1.00 0.00 N ATOM 367 CA GLY A 27 3.225 2.682 10.591 1.00 0.00 C ATOM 368 C GLY A 27 1.861 2.347 9.985 1.00 0.00 C ATOM 369 O GLY A 27 1.316 1.273 10.232 1.00 0.00 O ATOM 0 H GLY A 27 2.236 2.882 12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.728 3.427 9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.854 1.792 10.593 1.00 0.00 H new ATOM 373 N ILE A 28 1.349 3.286 9.203 1.00 0.00 N ATOM 374 CA ILE A 28 0.060 3.105 8.559 1.00 0.00 C ATOM 375 C ILE A 28 0.098 1.840 7.701 1.00 0.00 C ATOM 376 O ILE A 28 1.088 1.578 7.019 1.00 0.00 O ATOM 377 CB ILE A 28 -0.335 4.363 7.785 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.307 5.596 8.690 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.692 4.184 7.101 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.286 5.441 9.856 1.00 0.00 C ATOM 0 H ILE A 28 1.805 4.176 9.001 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.722 2.961 9.305 1.00 0.00 H new ATOM 0 HB ILE A 28 0.402 4.525 6.999 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.702 5.747 9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.563 6.483 8.111 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.948 5.094 6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.641 3.347 6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.455 3.983 7.853 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.247 6.331 10.485 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.297 5.315 9.468 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.012 4.567 10.447 1.00 0.00 H new ATOM 391 N TYR A 29 -0.992 1.089 7.760 1.00 0.00 N ATOM 392 CA TYR A 29 -1.096 -0.143 6.995 1.00 0.00 C ATOM 393 C TYR A 29 -2.416 -0.199 6.224 1.00 0.00 C ATOM 394 O TYR A 29 -3.449 0.247 6.720 1.00 0.00 O ATOM 395 CB TYR A 29 -1.068 -1.279 8.021 1.00 0.00 C ATOM 396 CG TYR A 29 -2.140 -1.163 9.106 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.955 -0.306 10.171 1.00 0.00 C ATOM 398 CD2 TYR A 29 -3.294 -1.917 9.020 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.963 -0.197 11.193 1.00 0.00 C ATOM 400 CE2 TYR A 29 -4.303 -1.809 10.042 1.00 0.00 C ATOM 401 CZ TYR A 29 -4.088 -0.954 11.077 1.00 0.00 C ATOM 402 OH TYR A 29 -5.041 -0.851 12.042 1.00 0.00 O ATOM 0 H TYR A 29 -1.811 1.310 8.326 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.286 -0.215 6.269 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.194 -2.228 7.500 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.087 -1.303 8.495 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.053 0.284 10.238 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.440 -2.588 8.186 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.830 0.470 12.032 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.209 -2.394 9.987 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.831 -0.096 12.630 1.00 0.00 H new ATOM 411 N ILE A 30 -2.338 -0.753 5.022 1.00 0.00 N ATOM 412 CA ILE A 30 -3.514 -0.874 4.177 1.00 0.00 C ATOM 413 C ILE A 30 -4.678 -1.420 5.006 1.00 0.00 C ATOM 414 O ILE A 30 -4.538 -2.437 5.683 1.00 0.00 O ATOM 415 CB ILE A 30 -3.198 -1.708 2.936 1.00 0.00 C ATOM 416 CG1 ILE A 30 -4.159 -1.378 1.793 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.192 -3.203 3.265 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.814 -0.029 1.158 1.00 0.00 C ATOM 0 H ILE A 30 -1.479 -1.123 4.614 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.819 0.104 3.805 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.195 -1.448 2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.113 -2.162 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.182 -1.356 2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.964 -3.773 2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.436 -3.406 4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.172 -3.496 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.513 0.181 0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.884 0.756 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.799 -0.062 0.762 1.00 0.00 H new ATOM 429 N GLY A 31 -5.801 -0.722 4.925 1.00 0.00 N ATOM 430 CA GLY A 31 -6.989 -1.125 5.657 1.00 0.00 C ATOM 431 C GLY A 31 -7.476 -2.500 5.200 1.00 0.00 C ATOM 432 O GLY A 31 -7.813 -3.349 6.023 1.00 0.00 O ATOM 0 H GLY A 31 -5.913 0.121 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.771 -1.149 6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.779 -0.388 5.509 1.00 0.00 H new ATOM 436 N SER A 32 -7.497 -2.678 3.887 1.00 0.00 N ATOM 437 CA SER A 32 -7.936 -3.937 3.309 1.00 0.00 C ATOM 438 C SER A 32 -7.861 -3.866 1.783 1.00 0.00 C ATOM 439 O SER A 32 -7.796 -2.780 1.210 1.00 0.00 O ATOM 440 CB SER A 32 -9.360 -4.280 3.755 1.00 0.00 C ATOM 441 OG SER A 32 -9.373 -5.265 4.784 1.00 0.00 O ATOM 0 H SER A 32 -7.217 -1.971 3.207 1.00 0.00 H new ATOM 0 HA SER A 32 -7.273 -4.726 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.856 -3.377 4.111 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.931 -4.641 2.900 1.00 0.00 H new ATOM 0 HG SER A 32 -8.861 -4.940 5.554 1.00 0.00 H new ATOM 446 N ILE A 33 -7.871 -5.039 1.167 1.00 0.00 N ATOM 447 CA ILE A 33 -7.805 -5.125 -0.282 1.00 0.00 C ATOM 448 C ILE A 33 -8.930 -6.030 -0.788 1.00 0.00 C ATOM 449 O ILE A 33 -9.167 -7.102 -0.231 1.00 0.00 O ATOM 450 CB ILE A 33 -6.411 -5.569 -0.729 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.349 -4.555 -0.300 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.376 -5.832 -2.236 1.00 0.00 C ATOM 453 CD1 ILE A 33 -4.917 -4.794 1.149 1.00 0.00 C ATOM 0 H ILE A 33 -7.924 -5.938 1.645 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.961 -4.143 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.177 -6.511 -0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.483 -4.629 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.743 -3.544 -0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.374 -6.146 -2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.089 -6.618 -2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.640 -4.920 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.162 -4.060 1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.780 -4.695 1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.501 -5.797 1.244 1.00 0.00 H new ATOM 464 N MET A 34 -9.593 -5.566 -1.837 1.00 0.00 N ATOM 465 CA MET A 34 -10.688 -6.321 -2.424 1.00 0.00 C ATOM 466 C MET A 34 -10.224 -7.713 -2.857 1.00 0.00 C ATOM 467 O MET A 34 -9.904 -7.928 -4.025 1.00 0.00 O ATOM 468 CB MET A 34 -11.237 -5.564 -3.635 1.00 0.00 C ATOM 469 CG MET A 34 -12.203 -4.461 -3.201 1.00 0.00 C ATOM 470 SD MET A 34 -13.863 -5.111 -3.094 1.00 0.00 S ATOM 471 CE MET A 34 -14.763 -3.795 -3.895 1.00 0.00 C ATOM 0 H MET A 34 -9.393 -4.677 -2.296 1.00 0.00 H new ATOM 0 HA MET A 34 -11.469 -6.438 -1.673 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.413 -5.129 -4.200 1.00 0.00 H new ATOM 0 HB3 MET A 34 -11.749 -6.259 -4.301 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.898 -4.058 -2.235 1.00 0.00 H new ATOM 0 HG3 MET A 34 -12.171 -3.637 -3.914 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.825 -4.040 -3.915 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.615 -2.866 -3.345 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.400 -3.674 -4.916 1.00 0.00 H new ATOM 479 N LYS A 35 -10.203 -8.621 -1.893 1.00 0.00 N ATOM 480 CA LYS A 35 -9.783 -9.986 -2.160 1.00 0.00 C ATOM 481 C LYS A 35 -10.327 -10.426 -3.521 1.00 0.00 C ATOM 482 O LYS A 35 -11.431 -10.041 -3.906 1.00 0.00 O ATOM 483 CB LYS A 35 -10.191 -10.908 -1.008 1.00 0.00 C ATOM 484 CG LYS A 35 -11.714 -11.027 -0.915 1.00 0.00 C ATOM 485 CD LYS A 35 -12.163 -11.193 0.537 1.00 0.00 C ATOM 486 CE LYS A 35 -12.637 -12.624 0.804 1.00 0.00 C ATOM 487 NZ LYS A 35 -14.109 -12.664 0.948 1.00 0.00 N ATOM 0 H LYS A 35 -10.470 -8.438 -0.926 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.696 -10.045 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.754 -11.895 -1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.795 -10.521 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.179 -10.139 -1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.052 -11.880 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.339 -10.948 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.969 -10.492 0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.328 -13.274 -0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.167 -13.006 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.414 -13.642 1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.397 -12.059 1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.553 -12.319 0.073 1.00 0.00 H new ATOM 496 N GLY A 36 -9.528 -11.224 -4.213 1.00 0.00 N ATOM 497 CA GLY A 36 -9.916 -11.720 -5.523 1.00 0.00 C ATOM 498 C GLY A 36 -10.225 -10.564 -6.476 1.00 0.00 C ATOM 499 O GLY A 36 -11.368 -10.392 -6.898 1.00 0.00 O ATOM 0 H GLY A 36 -8.613 -11.540 -3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.115 -12.333 -5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.792 -12.362 -5.428 1.00 0.00 H new ATOM 503 N GLY A 37 -9.187 -9.801 -6.789 1.00 0.00 N ATOM 504 CA GLY A 37 -9.334 -8.667 -7.684 1.00 0.00 C ATOM 505 C GLY A 37 -8.055 -8.434 -8.490 1.00 0.00 C ATOM 506 O GLY A 37 -7.559 -9.347 -9.150 1.00 0.00 O ATOM 0 H GLY A 37 -8.241 -9.947 -6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.169 -8.841 -8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.573 -7.773 -7.108 1.00 0.00 H new ATOM 510 N ALA A 38 -7.556 -7.210 -8.408 1.00 0.00 N ATOM 511 CA ALA A 38 -6.344 -6.846 -9.123 1.00 0.00 C ATOM 512 C ALA A 38 -5.128 -7.204 -8.267 1.00 0.00 C ATOM 513 O ALA A 38 -4.434 -8.181 -8.545 1.00 0.00 O ATOM 514 CB ALA A 38 -6.388 -5.359 -9.481 1.00 0.00 C ATOM 0 H ALA A 38 -7.969 -6.457 -7.857 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.267 -7.403 -10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.479 -5.087 -10.017 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.254 -5.162 -10.113 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.462 -4.767 -8.569 1.00 0.00 H new ATOM 520 N VAL A 39 -4.905 -6.393 -7.243 1.00 0.00 N ATOM 521 CA VAL A 39 -3.784 -6.611 -6.345 1.00 0.00 C ATOM 522 C VAL A 39 -4.147 -7.708 -5.341 1.00 0.00 C ATOM 523 O VAL A 39 -3.265 -8.345 -4.767 1.00 0.00 O ATOM 524 CB VAL A 39 -3.386 -5.295 -5.675 1.00 0.00 C ATOM 525 CG1 VAL A 39 -2.480 -5.546 -4.467 1.00 0.00 C ATOM 526 CG2 VAL A 39 -2.716 -4.351 -6.675 1.00 0.00 C ATOM 0 H VAL A 39 -5.482 -5.583 -7.015 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.911 -6.954 -6.900 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.296 -4.813 -5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.212 -4.594 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.007 -6.163 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.575 -6.060 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.443 -3.423 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.820 -4.823 -7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.407 -4.133 -7.489 1.00 0.00 H new ATOM 536 N ALA A 40 -5.446 -7.892 -5.159 1.00 0.00 N ATOM 537 CA ALA A 40 -5.936 -8.900 -4.234 1.00 0.00 C ATOM 538 C ALA A 40 -5.656 -10.291 -4.806 1.00 0.00 C ATOM 539 O ALA A 40 -5.162 -11.169 -4.100 1.00 0.00 O ATOM 540 CB ALA A 40 -7.425 -8.669 -3.967 1.00 0.00 C ATOM 0 H ALA A 40 -6.174 -7.360 -5.636 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.418 -8.826 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.792 -9.425 -3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.568 -7.679 -3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.978 -8.738 -4.904 1.00 0.00 H new ATOM 546 N ALA A 41 -5.986 -10.449 -6.080 1.00 0.00 N ATOM 547 CA ALA A 41 -5.775 -11.718 -6.756 1.00 0.00 C ATOM 548 C ALA A 41 -4.283 -11.901 -7.037 1.00 0.00 C ATOM 549 O ALA A 41 -3.841 -12.997 -7.378 1.00 0.00 O ATOM 550 CB ALA A 41 -6.618 -11.763 -8.032 1.00 0.00 C ATOM 0 H ALA A 41 -6.398 -9.719 -6.662 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.095 -12.546 -6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.460 -12.715 -8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.672 -11.659 -7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.323 -10.947 -8.692 1.00 0.00 H new ATOM 556 N ASP A 42 -3.547 -10.810 -6.884 1.00 0.00 N ATOM 557 CA ASP A 42 -2.113 -10.836 -7.117 1.00 0.00 C ATOM 558 C ASP A 42 -1.458 -11.812 -6.137 1.00 0.00 C ATOM 559 O ASP A 42 -0.723 -12.709 -6.547 1.00 0.00 O ATOM 560 CB ASP A 42 -1.493 -9.454 -6.894 1.00 0.00 C ATOM 561 CG ASP A 42 -0.053 -9.304 -7.388 1.00 0.00 C ATOM 562 OD1 ASP A 42 0.764 -8.604 -6.771 1.00 0.00 O ATOM 563 OD2 ASP A 42 0.222 -9.950 -8.470 1.00 0.00 O ATOM 0 H ASP A 42 -3.917 -9.902 -6.602 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.945 -11.144 -8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.112 -8.710 -7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.521 -9.228 -5.828 1.00 0.00 H new ATOM 568 N GLY A 43 -1.749 -11.604 -4.862 1.00 0.00 N ATOM 569 CA GLY A 43 -1.198 -12.454 -3.820 1.00 0.00 C ATOM 570 C GLY A 43 -1.985 -12.304 -2.516 1.00 0.00 C ATOM 571 O GLY A 43 -1.398 -12.143 -1.447 1.00 0.00 O ATOM 0 H GLY A 43 -2.359 -10.859 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.220 -13.494 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.153 -12.196 -3.650 1.00 0.00 H new ATOM 575 N ARG A 44 -3.303 -12.362 -2.648 1.00 0.00 N ATOM 576 CA ARG A 44 -4.176 -12.234 -1.493 1.00 0.00 C ATOM 577 C ARG A 44 -3.585 -11.244 -0.488 1.00 0.00 C ATOM 578 O ARG A 44 -3.406 -11.574 0.684 1.00 0.00 O ATOM 579 CB ARG A 44 -4.381 -13.586 -0.806 1.00 0.00 C ATOM 580 CG ARG A 44 -5.844 -14.026 -0.890 1.00 0.00 C ATOM 581 CD ARG A 44 -6.116 -15.205 0.048 1.00 0.00 C ATOM 582 NE ARG A 44 -6.073 -14.751 1.456 1.00 0.00 N ATOM 583 CZ ARG A 44 -6.710 -15.372 2.471 1.00 0.00 C ATOM 584 NH1 ARG A 44 -7.447 -16.480 2.242 1.00 0.00 N ATOM 585 NH2 ARG A 44 -6.603 -14.880 3.692 1.00 0.00 N ATOM 0 H ARG A 44 -3.787 -12.496 -3.536 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.140 -11.867 -1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.744 -14.336 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.077 -13.517 0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.494 -13.191 -0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.084 -14.309 -1.915 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.091 -15.639 -0.173 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.375 -15.988 -0.113 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.528 -13.917 1.673 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.526 -16.854 1.296 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.925 -16.943 3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.045 -14.042 3.857 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.078 -15.338 4.470 1.00 0.00 H new ATOM 595 N ILE A 45 -3.299 -10.048 -0.982 1.00 0.00 N ATOM 596 CA ILE A 45 -2.732 -9.006 -0.142 1.00 0.00 C ATOM 597 C ILE A 45 -3.466 -8.986 1.202 1.00 0.00 C ATOM 598 O ILE A 45 -4.541 -9.569 1.335 1.00 0.00 O ATOM 599 CB ILE A 45 -2.747 -7.662 -0.871 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.775 -7.669 -2.053 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.466 -6.511 0.097 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.369 -8.074 -1.603 1.00 0.00 C ATOM 0 H ILE A 45 -3.449 -9.777 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.683 -9.215 0.069 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.746 -7.504 -1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.130 -8.361 -2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.744 -6.680 -2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.482 -5.566 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.229 -6.495 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.486 -6.650 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.303 -8.071 -2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.008 -7.366 -0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.400 -9.074 -1.169 1.00 0.00 H new ATOM 613 N GLU A 46 -2.855 -8.309 2.162 1.00 0.00 N ATOM 614 CA GLU A 46 -3.436 -8.204 3.490 1.00 0.00 C ATOM 615 C GLU A 46 -3.355 -6.762 3.993 1.00 0.00 C ATOM 616 O GLU A 46 -2.697 -5.922 3.379 1.00 0.00 O ATOM 617 CB GLU A 46 -2.752 -9.165 4.465 1.00 0.00 C ATOM 618 CG GLU A 46 -2.049 -10.298 3.715 1.00 0.00 C ATOM 619 CD GLU A 46 -1.496 -11.340 4.690 1.00 0.00 C ATOM 620 OE1 GLU A 46 -0.271 -11.479 4.820 1.00 0.00 O ATOM 621 OE2 GLU A 46 -2.391 -12.019 5.326 1.00 0.00 O ATOM 0 H GLU A 46 -1.963 -7.827 2.047 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.487 -8.487 3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.027 -8.620 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.491 -9.581 5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.749 -10.773 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.237 -9.891 3.112 1.00 0.00 H new ATOM 627 N PRO A 47 -4.049 -6.511 5.135 1.00 0.00 N ATOM 628 CA PRO A 47 -4.061 -5.185 5.728 1.00 0.00 C ATOM 629 C PRO A 47 -2.734 -4.885 6.429 1.00 0.00 C ATOM 630 O PRO A 47 -2.227 -3.767 6.354 1.00 0.00 O ATOM 631 CB PRO A 47 -5.247 -5.190 6.679 1.00 0.00 C ATOM 632 CG PRO A 47 -5.572 -6.653 6.932 1.00 0.00 C ATOM 633 CD PRO A 47 -4.838 -7.481 5.890 1.00 0.00 C ATOM 0 HA PRO A 47 -4.166 -4.394 4.986 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.004 -4.677 7.610 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.100 -4.670 6.242 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.265 -6.944 7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.647 -6.822 6.866 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.201 -8.232 6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.536 -8.013 5.243 1.00 0.00 H new ATOM 638 N GLY A 48 -2.209 -5.904 7.093 1.00 0.00 N ATOM 639 CA GLY A 48 -0.951 -5.763 7.806 1.00 0.00 C ATOM 640 C GLY A 48 0.238 -5.961 6.863 1.00 0.00 C ATOM 641 O GLY A 48 1.269 -6.498 7.264 1.00 0.00 O ATOM 0 H GLY A 48 -2.632 -6.830 7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.897 -4.775 8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.904 -6.492 8.615 1.00 0.00 H new ATOM 645 N ASP A 49 0.055 -5.516 5.629 1.00 0.00 N ATOM 646 CA ASP A 49 1.100 -5.637 4.626 1.00 0.00 C ATOM 647 C ASP A 49 2.105 -4.497 4.803 1.00 0.00 C ATOM 648 O ASP A 49 3.281 -4.645 4.476 1.00 0.00 O ATOM 649 CB ASP A 49 0.521 -5.542 3.213 1.00 0.00 C ATOM 650 CG ASP A 49 0.846 -6.727 2.301 1.00 0.00 C ATOM 651 OD1 ASP A 49 1.238 -6.549 1.138 1.00 0.00 O ATOM 652 OD2 ASP A 49 0.680 -7.889 2.836 1.00 0.00 O ATOM 0 H ASP A 49 -0.802 -5.071 5.300 1.00 0.00 H new ATOM 0 HA ASP A 49 1.580 -6.607 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.562 -5.445 3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.892 -4.630 2.745 1.00 0.00 H new ATOM 657 N MET A 50 1.604 -3.385 5.320 1.00 0.00 N ATOM 658 CA MET A 50 2.443 -2.220 5.544 1.00 0.00 C ATOM 659 C MET A 50 2.638 -1.428 4.250 1.00 0.00 C ATOM 660 O MET A 50 3.767 -1.108 3.878 1.00 0.00 O ATOM 661 CB MET A 50 3.805 -2.667 6.080 1.00 0.00 C ATOM 662 CG MET A 50 4.254 -1.781 7.244 1.00 0.00 C ATOM 663 SD MET A 50 3.304 -2.166 8.706 1.00 0.00 S ATOM 664 CE MET A 50 4.226 -1.246 9.926 1.00 0.00 C ATOM 0 H MET A 50 0.628 -3.266 5.590 1.00 0.00 H new ATOM 0 HA MET A 50 1.950 -1.575 6.272 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.748 -3.705 6.409 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.545 -2.627 5.281 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.315 -1.933 7.439 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.126 -0.731 6.983 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.664 -1.214 10.859 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.187 -1.731 10.098 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.391 -0.230 9.567 1.00 0.00 H new ATOM 672 N LEU A 51 1.522 -1.134 3.600 1.00 0.00 N ATOM 673 CA LEU A 51 1.557 -0.385 2.355 1.00 0.00 C ATOM 674 C LEU A 51 1.356 1.102 2.653 1.00 0.00 C ATOM 675 O LEU A 51 0.241 1.613 2.558 1.00 0.00 O ATOM 676 CB LEU A 51 0.544 -0.955 1.359 1.00 0.00 C ATOM 677 CG LEU A 51 0.444 -0.230 0.016 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.520 0.956 0.103 1.00 0.00 C ATOM 679 CD2 LEU A 51 1.827 0.191 -0.485 1.00 0.00 C ATOM 0 H LEU A 51 0.588 -1.401 3.912 1.00 0.00 H new ATOM 0 HA LEU A 51 2.532 -0.485 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.799 -1.998 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.440 -0.948 1.828 1.00 0.00 H new ATOM 0 HG LEU A 51 0.034 -0.925 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.573 1.454 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.511 0.599 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.163 1.660 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.727 0.704 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.288 0.862 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.453 -0.693 -0.611 1.00 0.00 H new ATOM 690 N LEU A 52 2.453 1.755 3.009 1.00 0.00 N ATOM 691 CA LEU A 52 2.412 3.173 3.321 1.00 0.00 C ATOM 692 C LEU A 52 3.452 3.909 2.475 1.00 0.00 C ATOM 693 O LEU A 52 3.641 5.114 2.627 1.00 0.00 O ATOM 694 CB LEU A 52 2.575 3.394 4.826 1.00 0.00 C ATOM 695 CG LEU A 52 4.013 3.552 5.327 1.00 0.00 C ATOM 696 CD1 LEU A 52 4.914 2.451 4.765 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.552 4.949 5.016 1.00 0.00 C ATOM 0 H LEU A 52 3.376 1.328 3.088 1.00 0.00 H new ATOM 0 HA LEU A 52 1.439 3.592 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.013 4.285 5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.119 2.553 5.349 1.00 0.00 H new ATOM 0 HG LEU A 52 4.010 3.443 6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.930 2.587 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.539 1.477 5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.916 2.503 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.575 5.034 5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.538 5.113 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.928 5.697 5.505 1.00 0.00 H new ATOM 708 N GLN A 53 4.098 3.151 1.599 1.00 0.00 N ATOM 709 CA GLN A 53 5.115 3.716 0.728 1.00 0.00 C ATOM 710 C GLN A 53 4.892 3.257 -0.714 1.00 0.00 C ATOM 711 O GLN A 53 4.392 2.158 -0.949 1.00 0.00 O ATOM 712 CB GLN A 53 6.518 3.346 1.211 1.00 0.00 C ATOM 713 CG GLN A 53 6.570 1.893 1.685 1.00 0.00 C ATOM 714 CD GLN A 53 7.635 1.705 2.766 1.00 0.00 C ATOM 715 OE1 GLN A 53 7.969 0.436 2.984 1.00 0.00 O flip ATOM 716 NE2 GLN A 53 8.124 2.651 3.363 1.00 0.00 N flip ATOM 0 H GLN A 53 3.937 2.152 1.474 1.00 0.00 H new ATOM 0 HA GLN A 53 5.031 4.802 0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.235 3.495 0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.813 4.008 2.025 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.595 1.599 2.075 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.785 1.239 0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.823 3.601 3.147 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.834 2.491 4.078 1.00 0.00 H new ATOM 723 N VAL A 54 5.274 4.122 -1.643 1.00 0.00 N ATOM 724 CA VAL A 54 5.121 3.818 -3.056 1.00 0.00 C ATOM 725 C VAL A 54 6.420 4.162 -3.789 1.00 0.00 C ATOM 726 O VAL A 54 7.175 5.028 -3.349 1.00 0.00 O ATOM 727 CB VAL A 54 3.904 4.551 -3.620 1.00 0.00 C ATOM 728 CG1 VAL A 54 3.938 4.575 -5.150 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.603 3.927 -3.111 1.00 0.00 C ATOM 0 H VAL A 54 5.689 5.033 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 54 4.937 2.753 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 54 3.942 5.582 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.061 5.102 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.840 5.086 -5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.937 3.553 -5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.753 4.467 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.555 2.883 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.573 3.986 -2.023 1.00 0.00 H new ATOM 739 N ASN A 55 6.639 3.467 -4.895 1.00 0.00 N ATOM 740 CA ASN A 55 7.833 3.689 -5.693 1.00 0.00 C ATOM 741 C ASN A 55 9.024 3.937 -4.765 1.00 0.00 C ATOM 742 O ASN A 55 9.144 3.300 -3.720 1.00 0.00 O ATOM 743 CB ASN A 55 7.673 4.914 -6.596 1.00 0.00 C ATOM 744 CG ASN A 55 8.534 4.786 -7.854 1.00 0.00 C ATOM 745 OD1 ASN A 55 9.729 5.031 -7.847 1.00 0.00 O ATOM 746 ND2 ASN A 55 7.862 4.386 -8.929 1.00 0.00 N ATOM 0 H ASN A 55 6.010 2.750 -5.257 1.00 0.00 H new ATOM 0 HA ASN A 55 7.994 2.805 -6.310 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.626 5.028 -6.878 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.955 5.813 -6.048 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.347 4.267 -9.818 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.862 4.198 -8.864 1.00 0.00 H new ATOM 752 N ASP A 56 9.873 4.865 -5.181 1.00 0.00 N ATOM 753 CA ASP A 56 11.050 5.206 -4.400 1.00 0.00 C ATOM 754 C ASP A 56 10.645 6.138 -3.256 1.00 0.00 C ATOM 755 O ASP A 56 11.501 6.641 -2.528 1.00 0.00 O ATOM 756 CB ASP A 56 12.089 5.932 -5.257 1.00 0.00 C ATOM 757 CG ASP A 56 13.454 5.245 -5.340 1.00 0.00 C ATOM 758 OD1 ASP A 56 13.903 4.601 -4.381 1.00 0.00 O ATOM 759 OD2 ASP A 56 14.071 5.394 -6.463 1.00 0.00 O ATOM 0 H ASP A 56 9.769 5.391 -6.049 1.00 0.00 H new ATOM 0 HA ASP A 56 11.481 4.281 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.692 6.042 -6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.229 6.937 -4.858 1.00 0.00 H new ATOM 764 N VAL A 57 9.342 6.340 -3.132 1.00 0.00 N ATOM 765 CA VAL A 57 8.813 7.202 -2.090 1.00 0.00 C ATOM 766 C VAL A 57 8.610 6.385 -0.812 1.00 0.00 C ATOM 767 O VAL A 57 8.395 5.176 -0.872 1.00 0.00 O ATOM 768 CB VAL A 57 7.532 7.884 -2.574 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.586 8.167 -1.404 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.851 9.167 -3.345 1.00 0.00 C ATOM 0 H VAL A 57 8.636 5.921 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 57 9.520 7.998 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 57 7.026 7.201 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.683 8.652 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.320 7.229 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.081 8.822 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.923 9.632 -3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.390 9.857 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.468 8.927 -4.211 1.00 0.00 H new ATOM 780 N ASN A 58 8.685 7.079 0.315 1.00 0.00 N ATOM 781 CA ASN A 58 8.512 6.433 1.604 1.00 0.00 C ATOM 782 C ASN A 58 7.862 7.416 2.579 1.00 0.00 C ATOM 783 O ASN A 58 8.556 8.153 3.278 1.00 0.00 O ATOM 784 CB ASN A 58 9.859 6.006 2.192 1.00 0.00 C ATOM 785 CG ASN A 58 10.522 4.937 1.322 1.00 0.00 C ATOM 786 OD1 ASN A 58 10.007 3.846 1.134 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.690 5.307 0.804 1.00 0.00 N ATOM 0 H ASN A 58 8.863 8.082 0.361 1.00 0.00 H new ATOM 0 HA ASN A 58 7.887 5.552 1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.515 6.872 2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.714 5.620 3.201 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.211 4.663 0.209 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.064 6.235 1.001 1.00 0.00 H new ATOM 793 N PHE A 59 6.537 7.396 2.595 1.00 0.00 N ATOM 794 CA PHE A 59 5.785 8.277 3.472 1.00 0.00 C ATOM 795 C PHE A 59 5.821 7.773 4.917 1.00 0.00 C ATOM 796 O PHE A 59 4.778 7.607 5.546 1.00 0.00 O ATOM 797 CB PHE A 59 4.337 8.270 2.978 1.00 0.00 C ATOM 798 CG PHE A 59 4.157 8.840 1.570 1.00 0.00 C ATOM 799 CD1 PHE A 59 4.899 9.906 1.168 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.256 8.279 0.719 1.00 0.00 C ATOM 801 CE1 PHE A 59 4.732 10.434 -0.139 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.089 8.807 -0.588 1.00 0.00 C ATOM 803 CZ PHE A 59 3.830 9.874 -0.989 1.00 0.00 C ATOM 0 H PHE A 59 5.965 6.783 2.014 1.00 0.00 H new ATOM 0 HA PHE A 59 6.216 9.278 3.453 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.963 7.246 2.995 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.724 8.845 3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.615 10.351 1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.667 7.431 1.038 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.321 11.281 -0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.374 8.361 -1.263 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.702 10.277 -1.983 1.00 0.00 H new ATOM 812 N GLU A 60 7.034 7.544 5.400 1.00 0.00 N ATOM 813 CA GLU A 60 7.220 7.063 6.758 1.00 0.00 C ATOM 814 C GLU A 60 6.750 8.115 7.763 1.00 0.00 C ATOM 815 O GLU A 60 5.682 7.978 8.358 1.00 0.00 O ATOM 816 CB GLU A 60 8.680 6.679 7.008 1.00 0.00 C ATOM 817 CG GLU A 60 9.077 5.459 6.174 1.00 0.00 C ATOM 818 CD GLU A 60 9.138 4.199 7.039 1.00 0.00 C ATOM 819 OE1 GLU A 60 9.967 4.117 7.958 1.00 0.00 O ATOM 820 OE2 GLU A 60 8.282 3.283 6.731 1.00 0.00 O ATOM 0 H GLU A 60 7.897 7.683 4.875 1.00 0.00 H new ATOM 0 HA GLU A 60 6.615 6.166 6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.328 7.520 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.827 6.464 8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.358 5.316 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.047 5.632 5.709 1.00 0.00 H new ATOM 826 N ASN A 61 7.570 9.144 7.921 1.00 0.00 N ATOM 827 CA ASN A 61 7.251 10.220 8.845 1.00 0.00 C ATOM 828 C ASN A 61 5.782 10.614 8.673 1.00 0.00 C ATOM 829 O ASN A 61 5.149 11.088 9.616 1.00 0.00 O ATOM 830 CB ASN A 61 8.108 11.456 8.567 1.00 0.00 C ATOM 831 CG ASN A 61 7.985 11.892 7.105 1.00 0.00 C ATOM 832 OD1 ASN A 61 8.515 11.270 6.199 1.00 0.00 O ATOM 833 ND2 ASN A 61 7.256 12.991 6.928 1.00 0.00 N ATOM 0 H ASN A 61 8.454 9.256 7.425 1.00 0.00 H new ATOM 0 HA ASN A 61 7.447 9.866 9.857 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.799 12.272 9.221 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.151 11.239 8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.112 13.362 5.989 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.841 13.462 7.732 1.00 0.00 H new ATOM 839 N MET A 62 5.284 10.405 7.464 1.00 0.00 N ATOM 840 CA MET A 62 3.901 10.732 7.158 1.00 0.00 C ATOM 841 C MET A 62 2.943 10.007 8.105 1.00 0.00 C ATOM 842 O MET A 62 2.491 10.579 9.095 1.00 0.00 O ATOM 843 CB MET A 62 3.591 10.335 5.714 1.00 0.00 C ATOM 844 CG MET A 62 3.367 11.572 4.841 1.00 0.00 C ATOM 845 SD MET A 62 1.724 11.539 4.144 1.00 0.00 S ATOM 846 CE MET A 62 2.091 10.906 2.516 1.00 0.00 C ATOM 0 H MET A 62 5.813 10.013 6.684 1.00 0.00 H new ATOM 0 HA MET A 62 3.764 11.806 7.286 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.414 9.745 5.311 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.704 9.703 5.689 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.500 12.476 5.436 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.109 11.603 4.043 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.387 11.324 1.796 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.106 11.188 2.236 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.004 9.819 2.520 1.00 0.00 H new ATOM 854 N SER A 63 2.661 8.757 7.767 1.00 0.00 N ATOM 855 CA SER A 63 1.764 7.947 8.574 1.00 0.00 C ATOM 856 C SER A 63 0.676 8.828 9.189 1.00 0.00 C ATOM 857 O SER A 63 0.428 8.767 10.392 1.00 0.00 O ATOM 858 CB SER A 63 2.530 7.206 9.671 1.00 0.00 C ATOM 859 OG SER A 63 1.675 6.798 10.736 1.00 0.00 O ATOM 0 H SER A 63 3.038 8.285 6.945 1.00 0.00 H new ATOM 0 HA SER A 63 1.298 7.203 7.928 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.020 6.331 9.244 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.316 7.851 10.064 1.00 0.00 H new ATOM 0 HG SER A 63 1.141 7.562 11.038 1.00 0.00 H new ATOM 864 N ASN A 64 0.053 9.627 8.335 1.00 0.00 N ATOM 865 CA ASN A 64 -1.005 10.519 8.780 1.00 0.00 C ATOM 866 C ASN A 64 -2.354 9.811 8.645 1.00 0.00 C ATOM 867 O ASN A 64 -3.381 10.457 8.443 1.00 0.00 O ATOM 868 CB ASN A 64 -1.049 11.789 7.927 1.00 0.00 C ATOM 869 CG ASN A 64 -1.367 13.015 8.785 1.00 0.00 C ATOM 870 OD1 ASN A 64 -2.509 13.310 9.093 1.00 0.00 O ATOM 871 ND2 ASN A 64 -0.294 13.711 9.152 1.00 0.00 N ATOM 0 H ASN A 64 0.260 9.675 7.337 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.806 10.788 9.817 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.090 11.929 7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.802 11.681 7.147 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -0.400 14.547 9.726 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.635 13.408 8.859 1.00 0.00 H new ATOM 877 N ASP A 65 -2.308 8.492 8.764 1.00 0.00 N ATOM 878 CA ASP A 65 -3.515 7.688 8.658 1.00 0.00 C ATOM 879 C ASP A 65 -4.411 8.266 7.560 1.00 0.00 C ATOM 880 O ASP A 65 -5.635 8.166 7.637 1.00 0.00 O ATOM 881 CB ASP A 65 -4.303 7.704 9.968 1.00 0.00 C ATOM 882 CG ASP A 65 -5.302 6.558 10.135 1.00 0.00 C ATOM 883 OD1 ASP A 65 -5.468 6.009 11.235 1.00 0.00 O ATOM 884 OD2 ASP A 65 -5.936 6.227 9.061 1.00 0.00 O ATOM 0 H ASP A 65 -1.454 7.960 8.933 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.220 6.664 8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.598 7.676 10.799 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.842 8.649 10.039 1.00 0.00 H new ATOM 889 N ASP A 66 -3.768 8.855 6.563 1.00 0.00 N ATOM 890 CA ASP A 66 -4.492 9.448 5.451 1.00 0.00 C ATOM 891 C ASP A 66 -3.514 9.747 4.314 1.00 0.00 C ATOM 892 O ASP A 66 -3.705 10.701 3.560 1.00 0.00 O ATOM 893 CB ASP A 66 -5.154 10.763 5.864 1.00 0.00 C ATOM 894 CG ASP A 66 -6.169 10.647 7.002 1.00 0.00 C ATOM 895 OD1 ASP A 66 -5.925 11.110 8.127 1.00 0.00 O ATOM 896 OD2 ASP A 66 -7.267 10.042 6.695 1.00 0.00 O ATOM 0 H ASP A 66 -2.753 8.935 6.502 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.260 8.743 5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.376 11.466 6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.653 11.190 4.994 1.00 0.00 H new ATOM 901 N ALA A 67 -2.485 8.916 4.225 1.00 0.00 N ATOM 902 CA ALA A 67 -1.477 9.080 3.192 1.00 0.00 C ATOM 903 C ALA A 67 -2.137 8.959 1.817 1.00 0.00 C ATOM 904 O ALA A 67 -1.543 9.329 0.804 1.00 0.00 O ATOM 905 CB ALA A 67 -0.363 8.052 3.397 1.00 0.00 C ATOM 0 H ALA A 67 -2.328 8.127 4.852 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.023 10.069 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.393 8.175 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.093 8.200 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.781 7.047 3.340 1.00 0.00 H new ATOM 911 N VAL A 68 -3.356 8.440 1.824 1.00 0.00 N ATOM 912 CA VAL A 68 -4.103 8.265 0.591 1.00 0.00 C ATOM 913 C VAL A 68 -4.272 9.621 -0.094 1.00 0.00 C ATOM 914 O VAL A 68 -4.135 9.728 -1.313 1.00 0.00 O ATOM 915 CB VAL A 68 -5.436 7.571 0.880 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.488 7.950 -0.163 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.258 6.053 0.955 1.00 0.00 C ATOM 0 H VAL A 68 -3.845 8.135 2.665 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.558 7.619 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.790 7.915 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.426 7.443 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.645 9.029 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.144 7.648 -1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.220 5.584 1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.871 5.685 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.556 5.808 1.752 1.00 0.00 H new ATOM 927 N ARG A 69 -4.567 10.626 0.717 1.00 0.00 N ATOM 928 CA ARG A 69 -4.757 11.972 0.204 1.00 0.00 C ATOM 929 C ARG A 69 -3.680 12.302 -0.831 1.00 0.00 C ATOM 930 O ARG A 69 -3.885 13.151 -1.697 1.00 0.00 O ATOM 931 CB ARG A 69 -4.703 13.004 1.332 1.00 0.00 C ATOM 932 CG ARG A 69 -4.766 14.429 0.776 1.00 0.00 C ATOM 933 CD ARG A 69 -5.810 15.262 1.521 1.00 0.00 C ATOM 934 NE ARG A 69 -7.011 15.440 0.674 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.235 15.753 1.152 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.429 15.927 2.477 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.238 15.888 0.305 1.00 0.00 N ATOM 0 H ARG A 69 -4.679 10.535 1.727 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.741 12.013 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.533 12.841 2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.785 12.874 1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.788 14.901 0.865 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.010 14.398 -0.286 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.082 14.769 2.454 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.392 16.234 1.784 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.908 15.319 -0.333 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.648 15.822 3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.356 16.163 2.830 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.083 15.756 -0.694 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.168 16.124 0.650 1.00 0.00 H new ATOM 947 N VAL A 70 -2.554 11.615 -0.706 1.00 0.00 N ATOM 948 CA VAL A 70 -1.444 11.823 -1.621 1.00 0.00 C ATOM 949 C VAL A 70 -1.303 10.603 -2.532 1.00 0.00 C ATOM 950 O VAL A 70 -1.150 10.743 -3.745 1.00 0.00 O ATOM 951 CB VAL A 70 -0.169 12.133 -0.833 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.936 11.127 -1.163 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.300 13.566 -1.091 1.00 0.00 C ATOM 0 H VAL A 70 -2.386 10.914 0.015 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.633 12.685 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.400 12.042 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.831 11.369 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.602 10.122 -0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.163 11.173 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.207 13.760 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.506 13.696 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.479 14.264 -0.784 1.00 0.00 H new ATOM 963 N LEU A 71 -1.358 9.433 -1.914 1.00 0.00 N ATOM 964 CA LEU A 71 -1.238 8.188 -2.654 1.00 0.00 C ATOM 965 C LEU A 71 -2.216 8.203 -3.830 1.00 0.00 C ATOM 966 O LEU A 71 -1.879 7.763 -4.928 1.00 0.00 O ATOM 967 CB LEU A 71 -1.418 6.990 -1.720 1.00 0.00 C ATOM 968 CG LEU A 71 -0.325 5.921 -1.783 1.00 0.00 C ATOM 969 CD1 LEU A 71 0.638 6.051 -0.601 1.00 0.00 C ATOM 970 CD2 LEU A 71 -0.933 4.519 -1.876 1.00 0.00 C ATOM 0 H LEU A 71 -1.484 9.320 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.237 8.089 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.480 7.359 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.374 6.518 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 71 0.256 6.080 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.405 5.279 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.109 7.034 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.087 5.932 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.135 3.778 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.554 4.333 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.544 4.447 -2.775 1.00 0.00 H new ATOM 981 N ARG A 72 -3.409 8.715 -3.561 1.00 0.00 N ATOM 982 CA ARG A 72 -4.438 8.793 -4.583 1.00 0.00 C ATOM 983 C ARG A 72 -4.017 9.766 -5.686 1.00 0.00 C ATOM 984 O ARG A 72 -4.560 9.731 -6.790 1.00 0.00 O ATOM 985 CB ARG A 72 -5.771 9.252 -3.988 1.00 0.00 C ATOM 986 CG ARG A 72 -6.850 9.350 -5.070 1.00 0.00 C ATOM 987 CD ARG A 72 -8.217 9.653 -4.455 1.00 0.00 C ATOM 988 NE ARG A 72 -9.287 9.042 -5.275 1.00 0.00 N ATOM 989 CZ ARG A 72 -9.713 7.769 -5.137 1.00 0.00 C ATOM 990 NH1 ARG A 72 -9.163 6.959 -4.207 1.00 0.00 N ATOM 991 NH2 ARG A 72 -10.676 7.327 -5.923 1.00 0.00 N ATOM 0 H ARG A 72 -3.685 9.080 -2.649 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.565 7.795 -5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.089 8.552 -3.215 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.644 10.222 -3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.586 10.132 -5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.897 8.414 -5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.261 9.265 -3.437 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.366 10.731 -4.392 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.730 9.619 -5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.420 7.308 -3.602 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.491 5.998 -4.109 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.087 7.945 -6.622 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.009 6.367 -5.831 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.053 10.610 -5.351 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.554 11.591 -6.299 1.00 0.00 C ATOM 1003 C GLU A 73 -1.565 10.937 -7.267 1.00 0.00 C ATOM 1004 O GLU A 73 -1.305 11.467 -8.345 1.00 0.00 O ATOM 1005 CB GLU A 73 -1.911 12.775 -5.576 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.385 12.711 -5.667 1.00 0.00 C ATOM 1007 CD GLU A 73 0.254 13.952 -5.041 1.00 0.00 C ATOM 1008 OE1 GLU A 73 -0.199 15.078 -5.293 1.00 0.00 O ATOM 1009 OE2 GLU A 73 1.258 13.716 -4.264 1.00 0.00 O ATOM 0 H GLU A 73 -2.604 10.635 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.397 11.974 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.266 13.708 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.217 12.776 -4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.024 11.816 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.082 12.629 -6.711 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.042 9.795 -6.846 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.087 9.064 -7.662 1.00 0.00 C ATOM 1017 C ILE A 74 -0.789 8.546 -8.918 1.00 0.00 C ATOM 1018 O ILE A 74 -0.867 9.248 -9.925 1.00 0.00 O ATOM 1019 CB ILE A 74 0.590 7.966 -6.839 1.00 0.00 C ATOM 1020 CG1 ILE A 74 1.165 8.532 -5.539 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.653 7.238 -7.666 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.629 8.940 -5.719 1.00 0.00 C ATOM 0 H ILE A 74 -1.261 9.358 -5.951 1.00 0.00 H new ATOM 0 HA ILE A 74 0.715 9.723 -7.993 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.165 7.230 -6.564 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.579 9.395 -5.224 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.086 7.787 -4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.119 6.463 -7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.186 6.783 -8.539 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.412 7.950 -7.991 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.014 9.339 -4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.216 8.069 -6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.701 9.703 -6.494 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.283 7.320 -8.819 1.00 0.00 N ATOM 1034 CA VAL A 75 -1.976 6.700 -9.935 1.00 0.00 C ATOM 1035 C VAL A 75 -2.830 7.750 -10.647 1.00 0.00 C ATOM 1036 O VAL A 75 -2.925 7.750 -11.874 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.789 5.500 -9.444 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -2.003 4.198 -9.613 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.228 5.692 -7.991 1.00 0.00 C ATOM 0 H VAL A 75 -1.217 6.740 -7.983 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.261 6.316 -10.663 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.687 5.430 -10.058 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.604 3.361 -9.256 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.765 4.051 -10.666 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.079 4.253 -9.037 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.804 4.825 -7.667 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.348 5.801 -7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.845 6.587 -7.913 1.00 0.00 H new ATOM 1049 N SER A 76 -3.430 8.619 -9.847 1.00 0.00 N ATOM 1050 CA SER A 76 -4.273 9.673 -10.386 1.00 0.00 C ATOM 1051 C SER A 76 -3.520 10.443 -11.473 1.00 0.00 C ATOM 1052 O SER A 76 -3.952 10.482 -12.623 1.00 0.00 O ATOM 1053 CB SER A 76 -4.734 10.627 -9.283 1.00 0.00 C ATOM 1054 OG SER A 76 -5.196 11.869 -9.809 1.00 0.00 O ATOM 0 H SER A 76 -3.349 8.615 -8.830 1.00 0.00 H new ATOM 0 HA SER A 76 -5.158 9.212 -10.824 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.532 10.158 -8.708 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.910 10.810 -8.594 1.00 0.00 H new ATOM 0 HG SER A 76 -5.483 12.449 -9.073 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.406 11.035 -11.069 1.00 0.00 N ATOM 1060 CA GLN A 77 -1.588 11.801 -11.994 1.00 0.00 C ATOM 1061 C GLN A 77 -0.114 11.420 -11.841 1.00 0.00 C ATOM 1062 O GLN A 77 0.260 10.270 -12.067 1.00 0.00 O ATOM 1063 CB GLN A 77 -1.789 13.304 -11.789 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.248 13.699 -12.029 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.344 14.880 -12.998 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -2.424 15.667 -13.150 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -4.505 14.958 -13.642 1.00 0.00 N ATOM 0 H GLN A 77 -2.050 11.000 -10.114 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.902 11.561 -13.010 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.496 13.579 -10.776 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.142 13.857 -12.469 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.797 12.848 -12.432 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.718 13.962 -11.081 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.233 14.265 -13.467 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.668 15.711 -14.311 1.00 0.00 H new ATOM 1074 N THR A 78 0.683 12.406 -11.456 1.00 0.00 N ATOM 1075 CA THR A 78 2.107 12.188 -11.270 1.00 0.00 C ATOM 1076 C THR A 78 2.348 10.995 -10.345 1.00 0.00 C ATOM 1077 O THR A 78 1.407 10.294 -9.972 1.00 0.00 O ATOM 1078 CB THR A 78 2.721 13.492 -10.754 1.00 0.00 C ATOM 1079 OG1 THR A 78 1.987 13.773 -9.565 1.00 0.00 O ATOM 1080 CG2 THR A 78 2.422 14.682 -11.667 1.00 0.00 C ATOM 0 H THR A 78 0.369 13.358 -11.268 1.00 0.00 H new ATOM 0 HA THR A 78 2.594 11.932 -12.211 1.00 0.00 H new ATOM 0 HB THR A 78 3.800 13.372 -10.657 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.321 14.602 -9.163 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.880 15.581 -11.255 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.829 14.490 -12.660 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.344 14.824 -11.738 1.00 0.00 H new ATOM 1088 N GLY A 79 3.612 10.799 -10.000 1.00 0.00 N ATOM 1089 CA GLY A 79 3.988 9.701 -9.125 1.00 0.00 C ATOM 1090 C GLY A 79 3.913 8.362 -9.861 1.00 0.00 C ATOM 1091 O GLY A 79 2.834 7.932 -10.266 1.00 0.00 O ATOM 0 H GLY A 79 4.389 11.382 -10.311 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.000 9.859 -8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.328 9.680 -8.258 1.00 0.00 H new ATOM 1095 N PRO A 80 5.103 7.724 -10.017 1.00 0.00 N ATOM 1096 CA PRO A 80 5.182 6.443 -10.697 1.00 0.00 C ATOM 1097 C PRO A 80 4.655 5.316 -9.807 1.00 0.00 C ATOM 1098 O PRO A 80 4.819 5.355 -8.589 1.00 0.00 O ATOM 1099 CB PRO A 80 6.650 6.279 -11.058 1.00 0.00 C ATOM 1100 CG PRO A 80 7.409 7.246 -10.164 1.00 0.00 C ATOM 1101 CD PRO A 80 6.401 8.204 -9.552 1.00 0.00 C ATOM 0 HA PRO A 80 4.559 6.402 -11.591 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.981 5.253 -10.893 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.821 6.504 -12.111 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.944 6.705 -9.384 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.155 7.794 -10.740 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.459 8.197 -8.464 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.583 9.229 -9.875 1.00 0.00 H new ATOM 1106 N ILE A 81 4.034 4.338 -10.450 1.00 0.00 N ATOM 1107 CA ILE A 81 3.482 3.203 -9.731 1.00 0.00 C ATOM 1108 C ILE A 81 4.624 2.301 -9.257 1.00 0.00 C ATOM 1109 O ILE A 81 5.655 2.199 -9.920 1.00 0.00 O ATOM 1110 CB ILE A 81 2.444 2.478 -10.590 1.00 0.00 C ATOM 1111 CG1 ILE A 81 1.032 2.986 -10.288 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.555 0.962 -10.423 1.00 0.00 C ATOM 1113 CD1 ILE A 81 0.078 2.674 -11.442 1.00 0.00 C ATOM 0 H ILE A 81 3.901 4.308 -11.461 1.00 0.00 H new ATOM 0 HA ILE A 81 2.949 3.539 -8.842 1.00 0.00 H new ATOM 0 HB ILE A 81 2.651 2.702 -11.637 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.664 2.524 -9.372 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.058 4.062 -10.114 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.806 0.472 -11.045 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.549 0.634 -10.727 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.389 0.698 -9.379 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.918 3.046 -11.201 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.436 3.158 -12.351 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.035 1.596 -11.597 1.00 0.00 H new ATOM 1124 N SER A 82 4.402 1.672 -8.113 1.00 0.00 N ATOM 1125 CA SER A 82 5.399 0.782 -7.542 1.00 0.00 C ATOM 1126 C SER A 82 5.242 0.726 -6.021 1.00 0.00 C ATOM 1127 O SER A 82 6.207 0.925 -5.286 1.00 0.00 O ATOM 1128 CB SER A 82 6.815 1.232 -7.913 1.00 0.00 C ATOM 1129 OG SER A 82 7.283 0.595 -9.099 1.00 0.00 O ATOM 0 H SER A 82 3.546 1.761 -7.565 1.00 0.00 H new ATOM 0 HA SER A 82 5.243 -0.215 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.827 2.313 -8.053 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.494 1.009 -7.090 1.00 0.00 H new ATOM 0 HG SER A 82 6.825 0.976 -9.877 1.00 0.00 H new ATOM 1134 N LEU A 83 4.017 0.455 -5.595 1.00 0.00 N ATOM 1135 CA LEU A 83 3.720 0.371 -4.175 1.00 0.00 C ATOM 1136 C LEU A 83 4.919 -0.235 -3.443 1.00 0.00 C ATOM 1137 O LEU A 83 5.680 -1.007 -4.024 1.00 0.00 O ATOM 1138 CB LEU A 83 2.412 -0.388 -3.945 1.00 0.00 C ATOM 1139 CG LEU A 83 1.203 0.100 -4.747 1.00 0.00 C ATOM 1140 CD1 LEU A 83 -0.106 -0.321 -4.077 1.00 0.00 C ATOM 1141 CD2 LEU A 83 1.270 1.611 -4.974 1.00 0.00 C ATOM 0 H LEU A 83 3.219 0.291 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 83 3.561 1.366 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.579 -1.439 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.165 -0.334 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 83 1.230 -0.375 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.949 0.038 -4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.147 -1.408 -4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.156 0.106 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.399 1.932 -5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.281 2.123 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.177 1.856 -5.526 1.00 0.00 H new ATOM 1152 N THR A 84 5.050 0.137 -2.178 1.00 0.00 N ATOM 1153 CA THR A 84 6.143 -0.360 -1.361 1.00 0.00 C ATOM 1154 C THR A 84 5.667 -0.611 0.072 1.00 0.00 C ATOM 1155 O THR A 84 4.887 0.170 0.616 1.00 0.00 O ATOM 1156 CB THR A 84 7.295 0.642 -1.452 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.700 0.584 -2.816 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.532 0.185 -0.676 1.00 0.00 C ATOM 0 H THR A 84 4.417 0.777 -1.699 1.00 0.00 H new ATOM 0 HA THR A 84 6.502 -1.323 -1.724 1.00 0.00 H new ATOM 0 HB THR A 84 6.965 1.609 -1.072 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.150 1.420 -3.059 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.319 0.932 -0.774 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.277 0.063 0.377 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.882 -0.766 -1.077 1.00 0.00 H new ATOM 1166 N VAL A 85 6.156 -1.703 0.641 1.00 0.00 N ATOM 1167 CA VAL A 85 5.790 -2.066 2.000 1.00 0.00 C ATOM 1168 C VAL A 85 7.037 -2.535 2.751 1.00 0.00 C ATOM 1169 O VAL A 85 7.989 -3.020 2.139 1.00 0.00 O ATOM 1170 CB VAL A 85 4.675 -3.112 1.980 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.510 -2.654 1.100 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.207 -4.472 1.522 1.00 0.00 C ATOM 0 H VAL A 85 6.802 -2.348 0.186 1.00 0.00 H new ATOM 0 HA VAL A 85 5.396 -1.201 2.533 1.00 0.00 H new ATOM 0 HB VAL A 85 4.302 -3.224 2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.730 -3.416 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.106 -1.720 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.863 -2.500 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.394 -5.198 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.619 -4.382 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.987 -4.806 2.206 1.00 0.00 H new ATOM 1182 N ALA A 86 6.993 -2.377 4.065 1.00 0.00 N ATOM 1183 CA ALA A 86 8.108 -2.779 4.906 1.00 0.00 C ATOM 1184 C ALA A 86 7.722 -4.034 5.691 1.00 0.00 C ATOM 1185 O ALA A 86 8.082 -4.176 6.859 1.00 0.00 O ATOM 1186 CB ALA A 86 8.503 -1.618 5.821 1.00 0.00 C ATOM 0 H ALA A 86 6.202 -1.976 4.569 1.00 0.00 H new ATOM 0 HA ALA A 86 8.978 -3.025 4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.339 -1.920 6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.796 -0.761 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.655 -1.345 6.449 1.00 0.00 H new ATOM 1192 N LYS A 87 6.994 -4.914 5.019 1.00 0.00 N ATOM 1193 CA LYS A 87 6.555 -6.152 5.639 1.00 0.00 C ATOM 1194 C LYS A 87 5.834 -5.834 6.951 1.00 0.00 C ATOM 1195 O LYS A 87 5.803 -4.682 7.382 1.00 0.00 O ATOM 1196 CB LYS A 87 7.733 -7.115 5.804 1.00 0.00 C ATOM 1197 CG LYS A 87 7.299 -8.560 5.549 1.00 0.00 C ATOM 1198 CD LYS A 87 7.642 -8.993 4.122 1.00 0.00 C ATOM 1199 CE LYS A 87 6.499 -8.663 3.160 1.00 0.00 C ATOM 1200 NZ LYS A 87 6.141 -9.851 2.353 1.00 0.00 N ATOM 0 H LYS A 87 6.697 -4.794 4.051 1.00 0.00 H new ATOM 0 HA LYS A 87 5.839 -6.666 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.530 -6.843 5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.142 -7.026 6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.791 -9.222 6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.226 -8.655 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.553 -8.492 3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.842 -10.064 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.629 -8.323 3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.794 -7.845 2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.364 -9.609 1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.968 -10.158 1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.840 -10.621 2.984 1.00 0.00 H new ATOM 1209 N ALA A 88 5.271 -6.874 7.547 1.00 0.00 N ATOM 1210 CA ALA A 88 4.551 -6.719 8.800 1.00 0.00 C ATOM 1211 C ALA A 88 4.012 -8.080 9.245 1.00 0.00 C ATOM 1212 O ALA A 88 3.062 -8.597 8.661 1.00 0.00 O ATOM 1213 CB ALA A 88 3.441 -5.681 8.626 1.00 0.00 C ATOM 0 H ALA A 88 5.299 -7.828 7.186 1.00 0.00 H new ATOM 0 HA ALA A 88 5.217 -6.356 9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.901 -5.565 9.566 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.879 -4.725 8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.751 -6.013 7.850 1.00 0.00 H new ATOM 1219 N TRP A 89 4.644 -8.621 10.277 1.00 0.00 N ATOM 1220 CA TRP A 89 4.240 -9.912 10.807 1.00 0.00 C ATOM 1221 C TRP A 89 2.780 -9.804 11.253 1.00 0.00 C ATOM 1222 O TRP A 89 2.498 -9.365 12.366 1.00 0.00 O ATOM 1223 CB TRP A 89 5.177 -10.361 11.931 1.00 0.00 C ATOM 1224 CG TRP A 89 6.625 -10.569 11.487 1.00 0.00 C ATOM 1225 CD1 TRP A 89 7.659 -9.726 11.619 1.00 0.00 C ATOM 1226 CD2 TRP A 89 7.164 -11.737 10.830 1.00 0.00 C ATOM 1227 NE1 TRP A 89 8.819 -10.262 11.097 1.00 0.00 N ATOM 1228 CE2 TRP A 89 8.508 -11.522 10.601 1.00 0.00 C ATOM 1229 CE3 TRP A 89 6.536 -12.932 10.440 1.00 0.00 C ATOM 1230 CZ2 TRP A 89 9.339 -12.461 9.977 1.00 0.00 C ATOM 1231 CZ3 TRP A 89 7.380 -13.860 9.817 1.00 0.00 C ATOM 1232 CH2 TRP A 89 8.735 -13.660 9.581 1.00 0.00 C ATOM 0 H TRP A 89 5.432 -8.189 10.759 1.00 0.00 H new ATOM 0 HA TRP A 89 4.314 -10.684 10.041 1.00 0.00 H new ATOM 0 HB2 TRP A 89 5.155 -9.617 12.727 1.00 0.00 H new ATOM 0 HB3 TRP A 89 4.800 -11.292 12.354 1.00 0.00 H new ATOM 0 HD1 TRP A 89 7.593 -8.750 12.076 1.00 0.00 H new ATOM 0 HE1 TRP A 89 9.736 -9.815 11.079 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.486 -13.120 10.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 10.389 -12.270 9.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 6.948 -14.797 9.498 1.00 0.00 H new ATOM 0 HH2 TRP A 89 9.319 -14.427 9.094 1.00 0.00 H new ATOM 1242 N ASP A 90 1.890 -10.214 10.361 1.00 0.00 N ATOM 1243 CA ASP A 90 0.466 -10.169 10.648 1.00 0.00 C ATOM 1244 C ASP A 90 -0.066 -11.596 10.791 1.00 0.00 C ATOM 1245 O ASP A 90 0.240 -12.461 9.971 1.00 0.00 O ATOM 1246 CB ASP A 90 -0.303 -9.488 9.515 1.00 0.00 C ATOM 1247 CG ASP A 90 0.087 -9.940 8.107 1.00 0.00 C ATOM 1248 OD1 ASP A 90 1.108 -9.501 7.554 1.00 0.00 O ATOM 1249 OD2 ASP A 90 -0.718 -10.789 7.564 1.00 0.00 O ATOM 0 H ASP A 90 2.128 -10.579 9.439 1.00 0.00 H new ATOM 0 HA ASP A 90 0.325 -9.604 11.569 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.368 -9.671 9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.152 -8.411 9.590 1.00 0.00 H new ATOM 1254 N PRO A 91 -0.873 -11.804 11.865 1.00 0.00 N ATOM 1255 CA PRO A 91 -1.452 -13.111 12.125 1.00 0.00 C ATOM 1256 C PRO A 91 -2.602 -13.404 11.160 1.00 0.00 C ATOM 1257 O PRO A 91 -3.719 -13.688 11.588 1.00 0.00 O ATOM 1258 CB PRO A 91 -1.894 -13.063 13.579 1.00 0.00 C ATOM 1259 CG PRO A 91 -1.973 -11.590 13.942 1.00 0.00 C ATOM 1260 CD PRO A 91 -1.257 -10.802 12.856 1.00 0.00 C ATOM 0 HA PRO A 91 -0.744 -13.924 11.964 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.860 -13.550 13.710 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.184 -13.586 14.220 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.013 -11.272 14.022 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -1.509 -11.411 14.912 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -1.909 -10.044 12.421 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -0.385 -10.283 13.253 1.00 0.00 H new ATOM 1265 N THR A 92 -2.288 -13.325 9.875 1.00 0.00 N ATOM 1266 CA THR A 92 -3.282 -13.579 8.845 1.00 0.00 C ATOM 1267 C THR A 92 -4.668 -13.143 9.323 1.00 0.00 C ATOM 1268 O THR A 92 -5.499 -13.979 9.673 1.00 0.00 O ATOM 1269 CB THR A 92 -3.206 -15.060 8.470 1.00 0.00 C ATOM 1270 OG1 THR A 92 -4.187 -15.209 7.447 1.00 0.00 O ATOM 1271 CG2 THR A 92 -3.697 -15.974 9.594 1.00 0.00 C ATOM 0 H THR A 92 -1.360 -13.089 9.524 1.00 0.00 H new ATOM 0 HA THR A 92 -3.082 -12.992 7.949 1.00 0.00 H new ATOM 0 HB THR A 92 -2.178 -15.318 8.216 1.00 0.00 H new ATOM 0 HG1 THR A 92 -4.204 -16.141 7.144 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.622 -17.014 9.276 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.083 -15.821 10.482 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.736 -15.740 9.826 1.00 0.00 H new ATOM 1279 N PRO A 93 -4.879 -11.799 9.322 1.00 0.00 N ATOM 1280 CA PRO A 93 -6.151 -11.242 9.751 1.00 0.00 C ATOM 1281 C PRO A 93 -7.228 -11.447 8.683 1.00 0.00 C ATOM 1282 O PRO A 93 -6.950 -11.983 7.611 1.00 0.00 O ATOM 1283 CB PRO A 93 -5.864 -9.776 10.031 1.00 0.00 C ATOM 1284 CG PRO A 93 -4.564 -9.461 9.307 1.00 0.00 C ATOM 1285 CD PRO A 93 -3.918 -10.779 8.914 1.00 0.00 C ATOM 0 HA PRO A 93 -6.547 -11.734 10.640 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.675 -9.143 9.671 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.769 -9.594 11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.757 -8.852 8.424 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.898 -8.887 9.951 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.726 -10.822 7.842 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.959 -10.915 9.415 1.00 0.00 H new ATOM 1290 N ARG A 94 -8.435 -11.011 9.014 1.00 0.00 N ATOM 1291 CA ARG A 94 -9.554 -11.140 8.097 1.00 0.00 C ATOM 1292 C ARG A 94 -9.435 -10.116 6.966 1.00 0.00 C ATOM 1293 O ARG A 94 -8.629 -9.190 7.044 1.00 0.00 O ATOM 1294 CB ARG A 94 -10.886 -10.936 8.822 1.00 0.00 C ATOM 1295 CG ARG A 94 -11.002 -9.511 9.367 1.00 0.00 C ATOM 1296 CD ARG A 94 -12.425 -9.221 9.847 1.00 0.00 C ATOM 1297 NE ARG A 94 -12.386 -8.410 11.084 1.00 0.00 N ATOM 1298 CZ ARG A 94 -13.395 -8.347 11.979 1.00 0.00 C ATOM 1299 NH1 ARG A 94 -14.530 -9.050 11.783 1.00 0.00 N ATOM 1300 NH2 ARG A 94 -13.253 -7.589 13.050 1.00 0.00 N ATOM 0 H ARG A 94 -8.662 -10.568 9.904 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.529 -12.148 7.683 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.711 -11.136 8.138 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.971 -11.650 9.641 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.302 -9.375 10.191 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.724 -8.798 8.591 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.978 -8.691 9.072 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.953 -10.156 10.032 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.545 -7.865 11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -14.631 -9.635 10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -15.287 -8.996 12.464 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.391 -7.062 13.191 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.005 -7.530 13.736 1.00 0.00 H new ATOM 1310 N SER A 95 -10.250 -10.317 5.940 1.00 0.00 N ATOM 1311 CA SER A 95 -10.246 -9.423 4.795 1.00 0.00 C ATOM 1312 C SER A 95 -11.682 -9.089 4.388 1.00 0.00 C ATOM 1313 O SER A 95 -11.917 -8.118 3.669 1.00 0.00 O ATOM 1314 CB SER A 95 -9.490 -10.041 3.617 1.00 0.00 C ATOM 1315 OG SER A 95 -8.198 -10.506 3.996 1.00 0.00 O ATOM 0 H SER A 95 -10.917 -11.086 5.878 1.00 0.00 H new ATOM 0 HA SER A 95 -9.733 -8.504 5.079 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.069 -10.870 3.210 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.390 -9.302 2.822 1.00 0.00 H new ATOM 0 HG SER A 95 -7.749 -10.895 3.217 1.00 0.00 H new TER 1320 SER A 95