USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 484 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 25 GLN : amide:sc= -0.487 K(o=-0.65,f=-1.3!) USER MOD Set 1.2: A 26 GLN : amide:sc= -0.163 X(o=-0.65,f=-0.17) USER MOD Single : A 2 ASN : amide:sc= 0.106 K(o=0.11,f=-3.3!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 16 THR OG1 : rot 86:sc= 0.935 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 45:sc= 0.361 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.729 K(o=-0.73,f=-6.5!) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0388 F(o=-0.78,f=-0.039) USER MOD Single : A 28 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.4) USER MOD Single : A 31 ASN : amide:sc= -0.0671 K(o=-0.067,f=-1.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -2.73! C(o=-3.5!,f=-2.7!) USER MOD Single : A 38 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.21) USER MOD Single : A 40 MET CE :methyl 150:sc= 0 (180deg=-0.986) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN :FLIP amide:sc=-0.00727 F(o=-1.2,f=-0.0073) USER MOD Single : A 48 THR OG1 : rot -67:sc= 0.846 USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0474) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.429 K(o=-0.43,f=-3.6!) USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -5.109 22.972 -1.173 1.00 0.00 N ATOM 2 CA PRO A 1 -4.945 21.780 -0.318 1.00 0.00 C ATOM 3 C PRO A 1 -3.567 21.174 -0.512 1.00 0.00 C ATOM 4 O PRO A 1 -3.127 20.983 -1.642 1.00 0.00 O ATOM 5 CB PRO A 1 -6.013 20.759 -0.680 1.00 0.00 C ATOM 6 CG PRO A 1 -6.638 21.329 -1.901 1.00 0.00 C ATOM 7 CD PRO A 1 -6.418 22.821 -1.833 1.00 0.00 C ATOM 0 H2 PRO A 1 -4.358 23.034 -1.861 1.00 0.00 H new ATOM 0 H3 PRO A 1 -5.076 23.827 -0.618 1.00 0.00 H new ATOM 0 HA PRO A 1 -5.050 22.071 0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -5.581 19.777 -0.871 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -6.740 20.636 0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -6.187 20.910 -2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -7.702 21.094 -1.939 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -6.415 23.267 -2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -7.208 23.313 -1.265 1.00 0.00 H new ATOM 17 N ASN A 2 -2.881 20.892 0.585 1.00 0.00 N ATOM 18 CA ASN A 2 -1.583 20.232 0.522 1.00 0.00 C ATOM 19 C ASN A 2 -1.752 18.732 0.735 1.00 0.00 C ATOM 20 O ASN A 2 -0.831 17.944 0.508 1.00 0.00 O ATOM 21 CB ASN A 2 -0.617 20.829 1.559 1.00 0.00 C ATOM 22 CG ASN A 2 -1.000 20.533 3.002 1.00 0.00 C ATOM 23 OD1 ASN A 2 -2.171 20.331 3.329 1.00 0.00 O ATOM 24 ND2 ASN A 2 -0.006 20.534 3.877 1.00 0.00 N ATOM 0 H ASN A 2 -3.200 21.109 1.529 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.153 20.397 -0.466 1.00 0.00 H new ATOM 0 HB2 ASN A 2 0.385 20.442 1.373 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -0.572 21.909 1.420 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.196 20.363 4.865 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.949 20.706 3.563 1.00 0.00 H new ATOM 31 N ARG A 3 -2.947 18.351 1.169 1.00 0.00 N ATOM 32 CA ARG A 3 -3.305 16.954 1.354 1.00 0.00 C ATOM 33 C ARG A 3 -4.711 16.695 0.829 1.00 0.00 C ATOM 34 O ARG A 3 -5.651 16.500 1.600 1.00 0.00 O ATOM 35 CB ARG A 3 -3.218 16.563 2.831 1.00 0.00 C ATOM 36 CG ARG A 3 -1.803 16.293 3.311 1.00 0.00 C ATOM 37 CD ARG A 3 -1.780 15.906 4.780 1.00 0.00 C ATOM 38 NE ARG A 3 -2.794 14.897 5.100 1.00 0.00 N ATOM 39 CZ ARG A 3 -2.525 13.657 5.506 1.00 0.00 C ATOM 40 NH1 ARG A 3 -1.273 13.218 5.561 1.00 0.00 N ATOM 41 NH2 ARG A 3 -3.526 12.852 5.841 1.00 0.00 N ATOM 0 H ARG A 3 -3.695 19.004 1.402 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.598 16.344 0.792 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.650 17.361 3.435 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.824 15.673 2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.362 15.494 2.716 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.190 17.181 3.157 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.793 15.522 5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.947 16.793 5.391 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.774 15.163 5.005 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.505 13.832 5.291 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -1.079 12.267 5.874 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.489 13.185 5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.333 11.900 6.153 1.00 0.00 H new ATOM 55 N SER A 4 -4.851 16.696 -0.486 1.00 0.00 N ATOM 56 CA SER A 4 -6.145 16.489 -1.118 1.00 0.00 C ATOM 57 C SER A 4 -6.349 15.003 -1.427 1.00 0.00 C ATOM 58 O SER A 4 -6.604 14.610 -2.568 1.00 0.00 O ATOM 59 CB SER A 4 -6.248 17.337 -2.391 1.00 0.00 C ATOM 60 OG SER A 4 -7.590 17.439 -2.838 1.00 0.00 O ATOM 0 H SER A 4 -4.081 16.838 -1.140 1.00 0.00 H new ATOM 0 HA SER A 4 -6.933 16.804 -0.434 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.850 18.334 -2.199 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.634 16.894 -3.176 1.00 0.00 H new ATOM 0 HG SER A 4 -7.624 17.987 -3.650 1.00 0.00 H new ATOM 66 N ILE A 5 -6.199 14.181 -0.402 1.00 0.00 N ATOM 67 CA ILE A 5 -6.410 12.746 -0.521 1.00 0.00 C ATOM 68 C ILE A 5 -7.734 12.370 0.128 1.00 0.00 C ATOM 69 O ILE A 5 -8.175 13.032 1.069 1.00 0.00 O ATOM 70 CB ILE A 5 -5.263 11.944 0.138 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.053 12.393 1.591 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.978 12.101 -0.665 1.00 0.00 C ATOM 73 CD1 ILE A 5 -3.946 11.647 2.310 1.00 0.00 C ATOM 0 H ILE A 5 -5.929 14.487 0.533 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.429 12.496 -1.582 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.539 10.889 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.826 13.459 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.985 12.259 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.180 11.531 -0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.134 11.730 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.699 13.154 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.859 12.020 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.179 10.582 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.003 11.801 1.785 1.00 0.00 H new ATOM 85 N SER A 6 -8.377 11.331 -0.381 1.00 0.00 N ATOM 86 CA SER A 6 -9.665 10.916 0.144 1.00 0.00 C ATOM 87 C SER A 6 -9.491 10.069 1.402 1.00 0.00 C ATOM 88 O SER A 6 -8.924 8.975 1.356 1.00 0.00 O ATOM 89 CB SER A 6 -10.445 10.126 -0.913 1.00 0.00 C ATOM 90 OG SER A 6 -11.734 9.768 -0.438 1.00 0.00 O ATOM 0 H SER A 6 -8.029 10.763 -1.153 1.00 0.00 H new ATOM 0 HA SER A 6 -10.228 11.813 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.542 10.723 -1.820 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.891 9.227 -1.181 1.00 0.00 H new ATOM 0 HG SER A 6 -12.211 9.267 -1.132 1.00 0.00 H new ATOM 96 N PRO A 7 -9.987 10.566 2.547 1.00 0.00 N ATOM 97 CA PRO A 7 -9.939 9.840 3.815 1.00 0.00 C ATOM 98 C PRO A 7 -10.863 8.628 3.798 1.00 0.00 C ATOM 99 O PRO A 7 -10.592 7.618 4.444 1.00 0.00 O ATOM 100 CB PRO A 7 -10.417 10.868 4.852 1.00 0.00 C ATOM 101 CG PRO A 7 -10.372 12.185 4.151 1.00 0.00 C ATOM 102 CD PRO A 7 -10.612 11.882 2.703 1.00 0.00 C ATOM 0 HA PRO A 7 -8.943 9.452 4.028 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.426 10.640 5.196 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -9.773 10.868 5.731 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.132 12.862 4.541 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.408 12.672 4.294 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.675 11.857 2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.156 12.628 2.051 1.00 0.00 H new ATOM 110 N SER A 8 -11.953 8.744 3.041 1.00 0.00 N ATOM 111 CA SER A 8 -12.909 7.658 2.888 1.00 0.00 C ATOM 112 C SER A 8 -12.224 6.436 2.280 1.00 0.00 C ATOM 113 O SER A 8 -12.487 5.299 2.681 1.00 0.00 O ATOM 114 CB SER A 8 -14.081 8.117 2.007 1.00 0.00 C ATOM 115 OG SER A 8 -15.136 7.169 1.997 1.00 0.00 O ATOM 0 H SER A 8 -12.194 9.588 2.522 1.00 0.00 H new ATOM 0 HA SER A 8 -13.297 7.381 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.456 9.074 2.370 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.728 8.279 0.988 1.00 0.00 H new ATOM 0 HG SER A 8 -15.864 7.496 1.428 1.00 0.00 H new ATOM 121 N ALA A 9 -11.329 6.679 1.327 1.00 0.00 N ATOM 122 CA ALA A 9 -10.577 5.608 0.691 1.00 0.00 C ATOM 123 C ALA A 9 -9.592 4.992 1.675 1.00 0.00 C ATOM 124 O ALA A 9 -9.475 3.773 1.767 1.00 0.00 O ATOM 125 CB ALA A 9 -9.848 6.127 -0.541 1.00 0.00 C ATOM 0 H ALA A 9 -11.108 7.612 0.979 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.277 4.835 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.291 5.313 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.573 6.522 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.158 6.919 -0.249 1.00 0.00 H new ATOM 131 N LEU A 10 -8.905 5.847 2.427 1.00 0.00 N ATOM 132 CA LEU A 10 -7.918 5.394 3.400 1.00 0.00 C ATOM 133 C LEU A 10 -8.565 4.532 4.480 1.00 0.00 C ATOM 134 O LEU A 10 -8.078 3.448 4.793 1.00 0.00 O ATOM 135 CB LEU A 10 -7.222 6.593 4.050 1.00 0.00 C ATOM 136 CG LEU A 10 -6.442 7.498 3.093 1.00 0.00 C ATOM 137 CD1 LEU A 10 -5.926 8.724 3.829 1.00 0.00 C ATOM 138 CD2 LEU A 10 -5.290 6.733 2.458 1.00 0.00 C ATOM 0 H LEU A 10 -9.015 6.860 2.380 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.181 4.791 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.974 7.195 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.537 6.224 4.813 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.114 7.827 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.373 9.358 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.767 9.282 4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.267 8.411 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.746 7.391 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.616 6.377 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.682 5.882 1.901 1.00 0.00 H new ATOM 150 N GLN A 11 -9.672 5.015 5.034 1.00 0.00 N ATOM 151 CA GLN A 11 -10.389 4.295 6.082 1.00 0.00 C ATOM 152 C GLN A 11 -10.916 2.958 5.570 1.00 0.00 C ATOM 153 O GLN A 11 -10.897 1.956 6.287 1.00 0.00 O ATOM 154 CB GLN A 11 -11.538 5.149 6.623 1.00 0.00 C ATOM 155 CG GLN A 11 -11.070 6.361 7.414 1.00 0.00 C ATOM 156 CD GLN A 11 -12.202 7.305 7.763 1.00 0.00 C ATOM 157 OE1 GLN A 11 -13.167 7.442 7.012 1.00 0.00 O ATOM 158 NE2 GLN A 11 -12.095 7.963 8.907 1.00 0.00 N ATOM 0 H GLN A 11 -10.094 5.906 4.774 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.689 4.093 6.892 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.155 5.485 5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.171 4.531 7.260 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.586 6.026 8.331 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.319 6.899 6.836 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.279 7.822 9.502 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.829 8.611 9.193 1.00 0.00 H new ATOM 167 N ASP A 12 -11.369 2.947 4.326 1.00 0.00 N ATOM 168 CA ASP A 12 -11.868 1.724 3.706 1.00 0.00 C ATOM 169 C ASP A 12 -10.711 0.759 3.463 1.00 0.00 C ATOM 170 O ASP A 12 -10.852 -0.455 3.609 1.00 0.00 O ATOM 171 CB ASP A 12 -12.585 2.048 2.393 1.00 0.00 C ATOM 172 CG ASP A 12 -13.334 0.859 1.822 1.00 0.00 C ATOM 173 OD1 ASP A 12 -14.449 0.565 2.302 1.00 0.00 O ATOM 174 OD2 ASP A 12 -12.828 0.229 0.872 1.00 0.00 O ATOM 0 H ASP A 12 -11.402 3.770 3.724 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.584 1.251 4.377 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.285 2.867 2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.855 2.396 1.662 1.00 0.00 H new ATOM 179 N LEU A 13 -9.556 1.318 3.123 1.00 0.00 N ATOM 180 CA LEU A 13 -8.344 0.534 2.912 1.00 0.00 C ATOM 181 C LEU A 13 -7.944 -0.204 4.187 1.00 0.00 C ATOM 182 O LEU A 13 -7.552 -1.369 4.138 1.00 0.00 O ATOM 183 CB LEU A 13 -7.201 1.446 2.450 1.00 0.00 C ATOM 184 CG LEU A 13 -5.878 0.742 2.137 1.00 0.00 C ATOM 185 CD1 LEU A 13 -6.051 -0.243 0.989 1.00 0.00 C ATOM 186 CD2 LEU A 13 -4.803 1.766 1.807 1.00 0.00 C ATOM 0 H LEU A 13 -9.433 2.321 2.986 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.545 -0.206 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.526 1.983 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.021 2.193 3.223 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.566 0.183 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.099 -0.732 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.793 -0.993 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.385 0.290 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.867 1.253 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.110 2.349 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.660 2.431 2.659 1.00 0.00 H new ATOM 198 N LEU A 14 -8.064 0.476 5.325 1.00 0.00 N ATOM 199 CA LEU A 14 -7.748 -0.117 6.628 1.00 0.00 C ATOM 200 C LEU A 14 -8.584 -1.366 6.846 1.00 0.00 C ATOM 201 O LEU A 14 -8.077 -2.409 7.254 1.00 0.00 O ATOM 202 CB LEU A 14 -8.039 0.878 7.753 1.00 0.00 C ATOM 203 CG LEU A 14 -7.579 2.307 7.486 1.00 0.00 C ATOM 204 CD1 LEU A 14 -8.017 3.236 8.610 1.00 0.00 C ATOM 205 CD2 LEU A 14 -6.070 2.362 7.295 1.00 0.00 C ATOM 0 H LEU A 14 -8.380 1.445 5.374 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.689 -0.374 6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.113 0.887 7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.559 0.522 8.665 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.050 2.648 6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.677 4.250 8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.104 3.226 8.687 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.583 2.898 9.551 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.764 3.391 7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.576 1.996 8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.788 1.738 6.447 1.00 0.00 H new ATOM 217 N ARG A 15 -9.869 -1.241 6.546 1.00 0.00 N ATOM 218 CA ARG A 15 -10.804 -2.361 6.648 1.00 0.00 C ATOM 219 C ARG A 15 -10.312 -3.551 5.850 1.00 0.00 C ATOM 220 O ARG A 15 -10.248 -4.678 6.341 1.00 0.00 O ATOM 221 CB ARG A 15 -12.163 -1.960 6.075 1.00 0.00 C ATOM 222 CG ARG A 15 -13.026 -1.130 7.008 1.00 0.00 C ATOM 223 CD ARG A 15 -14.357 -0.778 6.360 1.00 0.00 C ATOM 224 NE ARG A 15 -15.187 -1.964 6.120 1.00 0.00 N ATOM 225 CZ ARG A 15 -15.933 -2.148 5.028 1.00 0.00 C ATOM 226 NH1 ARG A 15 -15.900 -1.266 4.038 1.00 0.00 N ATOM 227 NH2 ARG A 15 -16.695 -3.232 4.915 1.00 0.00 N ATOM 0 H ARG A 15 -10.294 -0.370 6.227 1.00 0.00 H new ATOM 0 HA ARG A 15 -10.885 -2.624 7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.002 -1.398 5.155 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -12.709 -2.864 5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -13.203 -1.682 7.931 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -12.498 -0.216 7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -14.898 -0.081 7.000 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.175 -0.267 5.415 1.00 0.00 H new ATOM 0 HE ARG A 15 -15.195 -2.694 6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -15.303 -0.442 4.109 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -16.472 -1.412 3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.710 -3.925 5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -17.264 -3.371 4.080 1.00 0.00 H new ATOM 241 N THR A 16 -9.953 -3.266 4.621 1.00 0.00 N ATOM 242 CA THR A 16 -9.609 -4.279 3.654 1.00 0.00 C ATOM 243 C THR A 16 -8.273 -4.948 3.977 1.00 0.00 C ATOM 244 O THR A 16 -8.119 -6.156 3.813 1.00 0.00 O ATOM 245 CB THR A 16 -9.583 -3.654 2.255 1.00 0.00 C ATOM 246 OG1 THR A 16 -10.622 -2.673 2.157 1.00 0.00 O ATOM 247 CG2 THR A 16 -9.823 -4.705 1.201 1.00 0.00 C ATOM 0 H THR A 16 -9.891 -2.314 4.261 1.00 0.00 H new ATOM 0 HA THR A 16 -10.367 -5.061 3.690 1.00 0.00 H new ATOM 0 HB THR A 16 -8.605 -3.199 2.097 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.294 -1.814 2.498 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.801 -4.242 0.214 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.045 -5.466 1.262 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.797 -5.167 1.363 1.00 0.00 H new ATOM 255 N LEU A 17 -7.315 -4.158 4.445 1.00 0.00 N ATOM 256 CA LEU A 17 -5.985 -4.668 4.762 1.00 0.00 C ATOM 257 C LEU A 17 -6.006 -5.614 5.957 1.00 0.00 C ATOM 258 O LEU A 17 -5.228 -6.569 6.015 1.00 0.00 O ATOM 259 CB LEU A 17 -5.027 -3.515 5.056 1.00 0.00 C ATOM 260 CG LEU A 17 -4.550 -2.726 3.842 1.00 0.00 C ATOM 261 CD1 LEU A 17 -3.851 -1.451 4.285 1.00 0.00 C ATOM 262 CD2 LEU A 17 -3.608 -3.582 3.014 1.00 0.00 C ATOM 0 H LEU A 17 -7.434 -3.159 4.614 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.642 -5.224 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.517 -2.826 5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.154 -3.915 5.572 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.412 -2.454 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.515 -0.897 3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.544 -0.837 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.991 -1.704 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.269 -3.015 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.748 -3.867 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.130 -4.479 2.680 1.00 0.00 H new ATOM 274 N LYS A 18 -6.889 -5.352 6.910 1.00 0.00 N ATOM 275 CA LYS A 18 -6.899 -6.109 8.155 1.00 0.00 C ATOM 276 C LYS A 18 -7.543 -7.481 7.999 1.00 0.00 C ATOM 277 O LYS A 18 -7.212 -8.405 8.744 1.00 0.00 O ATOM 278 CB LYS A 18 -7.592 -5.325 9.268 1.00 0.00 C ATOM 279 CG LYS A 18 -6.821 -4.089 9.708 1.00 0.00 C ATOM 280 CD LYS A 18 -5.369 -4.421 10.030 1.00 0.00 C ATOM 281 CE LYS A 18 -5.243 -5.417 11.176 1.00 0.00 C ATOM 282 NZ LYS A 18 -5.612 -4.818 12.485 1.00 0.00 N ATOM 0 H LYS A 18 -7.603 -4.627 6.847 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.856 -6.268 8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.583 -5.024 8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.736 -5.979 10.128 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.857 -3.337 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.299 -3.654 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.887 -4.830 9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.838 -3.505 10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.883 -6.277 10.979 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.218 -5.786 11.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.511 -5.532 13.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.986 -4.013 12.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.598 -4.489 12.451 1.00 0.00 H new ATOM 296 N SER A 19 -8.465 -7.618 7.059 1.00 0.00 N ATOM 297 CA SER A 19 -9.095 -8.906 6.815 1.00 0.00 C ATOM 298 C SER A 19 -8.501 -9.575 5.573 1.00 0.00 C ATOM 299 O SER A 19 -8.875 -9.250 4.446 1.00 0.00 O ATOM 300 CB SER A 19 -10.603 -8.720 6.650 1.00 0.00 C ATOM 301 OG SER A 19 -10.895 -7.713 5.690 1.00 0.00 O ATOM 0 H SER A 19 -8.791 -6.861 6.458 1.00 0.00 H new ATOM 0 HA SER A 19 -8.907 -9.555 7.670 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.057 -9.662 6.342 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.046 -8.451 7.609 1.00 0.00 H new ATOM 0 HG SER A 19 -10.328 -7.839 4.901 1.00 0.00 H new ATOM 307 N PRO A 20 -7.563 -10.517 5.766 1.00 0.00 N ATOM 308 CA PRO A 20 -6.918 -11.233 4.680 1.00 0.00 C ATOM 309 C PRO A 20 -7.494 -12.630 4.454 1.00 0.00 C ATOM 310 O PRO A 20 -7.109 -13.320 3.509 1.00 0.00 O ATOM 311 CB PRO A 20 -5.481 -11.324 5.190 1.00 0.00 C ATOM 312 CG PRO A 20 -5.601 -11.397 6.688 1.00 0.00 C ATOM 313 CD PRO A 20 -6.993 -10.920 7.057 1.00 0.00 C ATOM 0 HA PRO A 20 -7.041 -10.737 3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.976 -12.204 4.792 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.898 -10.456 4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -5.440 -12.417 7.036 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.843 -10.775 7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.578 -11.711 7.526 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -6.960 -10.088 7.760 1.00 0.00 H new ATOM 321 N SER A 21 -8.414 -13.048 5.313 1.00 0.00 N ATOM 322 CA SER A 21 -9.008 -14.371 5.200 1.00 0.00 C ATOM 323 C SER A 21 -10.165 -14.320 4.207 1.00 0.00 C ATOM 324 O SER A 21 -11.314 -14.612 4.543 1.00 0.00 O ATOM 325 CB SER A 21 -9.482 -14.869 6.571 1.00 0.00 C ATOM 326 OG SER A 21 -9.666 -16.275 6.568 1.00 0.00 O ATOM 0 H SER A 21 -8.764 -12.491 6.093 1.00 0.00 H new ATOM 0 HA SER A 21 -8.259 -15.074 4.835 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.752 -14.596 7.333 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.418 -14.377 6.836 1.00 0.00 H new ATOM 0 HG SER A 21 -9.967 -16.567 7.454 1.00 0.00 H new ATOM 332 N SER A 22 -9.843 -13.910 2.990 1.00 0.00 N ATOM 333 CA SER A 22 -10.818 -13.779 1.925 1.00 0.00 C ATOM 334 C SER A 22 -10.099 -13.505 0.605 1.00 0.00 C ATOM 335 O SER A 22 -9.019 -12.907 0.590 1.00 0.00 O ATOM 336 CB SER A 22 -11.785 -12.634 2.244 1.00 0.00 C ATOM 337 OG SER A 22 -11.084 -11.415 2.438 1.00 0.00 O ATOM 0 H SER A 22 -8.894 -13.658 2.715 1.00 0.00 H new ATOM 0 HA SER A 22 -11.385 -14.706 1.838 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.501 -12.520 1.430 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.357 -12.875 3.140 1.00 0.00 H new ATOM 0 HG SER A 22 -11.722 -10.699 2.639 1.00 0.00 H new ATOM 343 N PRO A 23 -10.678 -13.964 -0.516 1.00 0.00 N ATOM 344 CA PRO A 23 -10.161 -13.684 -1.861 1.00 0.00 C ATOM 345 C PRO A 23 -10.176 -12.191 -2.176 1.00 0.00 C ATOM 346 O PRO A 23 -9.467 -11.720 -3.063 1.00 0.00 O ATOM 347 CB PRO A 23 -11.129 -14.429 -2.789 1.00 0.00 C ATOM 348 CG PRO A 23 -11.796 -15.440 -1.924 1.00 0.00 C ATOM 349 CD PRO A 23 -11.878 -14.818 -0.563 1.00 0.00 C ATOM 0 HA PRO A 23 -9.123 -14.000 -1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.856 -13.747 -3.230 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.597 -14.905 -3.613 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.788 -15.686 -2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.226 -16.369 -1.896 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.792 -14.237 -0.439 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.869 -15.570 0.226 1.00 0.00 H new ATOM 357 N GLN A 24 -11.007 -11.459 -1.446 1.00 0.00 N ATOM 358 CA GLN A 24 -11.200 -10.036 -1.683 1.00 0.00 C ATOM 359 C GLN A 24 -9.970 -9.227 -1.301 1.00 0.00 C ATOM 360 O GLN A 24 -9.751 -8.149 -1.843 1.00 0.00 O ATOM 361 CB GLN A 24 -12.414 -9.510 -0.907 1.00 0.00 C ATOM 362 CG GLN A 24 -13.757 -9.851 -1.538 1.00 0.00 C ATOM 363 CD GLN A 24 -14.090 -11.329 -1.490 1.00 0.00 C ATOM 364 OE1 GLN A 24 -13.709 -12.042 -0.559 1.00 0.00 O ATOM 365 NE2 GLN A 24 -14.810 -11.796 -2.497 1.00 0.00 N ATOM 0 H GLN A 24 -11.563 -11.833 -0.677 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.374 -9.916 -2.752 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.388 -9.916 0.104 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -12.332 -8.427 -0.818 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -14.542 -9.293 -1.027 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -13.756 -9.521 -2.577 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.104 -11.170 -3.247 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -15.071 -12.782 -2.523 1.00 0.00 H new ATOM 374 N GLN A 25 -9.164 -9.755 -0.387 1.00 0.00 N ATOM 375 CA GLN A 25 -8.039 -9.006 0.165 1.00 0.00 C ATOM 376 C GLN A 25 -7.093 -8.520 -0.935 1.00 0.00 C ATOM 377 O GLN A 25 -6.852 -7.322 -1.060 1.00 0.00 O ATOM 378 CB GLN A 25 -7.289 -9.859 1.198 1.00 0.00 C ATOM 379 CG GLN A 25 -6.211 -9.103 1.961 1.00 0.00 C ATOM 380 CD GLN A 25 -4.863 -9.126 1.271 1.00 0.00 C ATOM 381 OE1 GLN A 25 -4.507 -10.099 0.606 1.00 0.00 O ATOM 382 NE2 GLN A 25 -4.113 -8.045 1.411 1.00 0.00 N ATOM 0 H GLN A 25 -9.268 -10.698 -0.012 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.435 -8.122 0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.008 -10.263 1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.832 -10.708 0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.527 -8.068 2.093 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.109 -9.535 2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.448 -7.261 1.972 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.200 -7.995 0.958 1.00 0.00 H new ATOM 391 N GLN A 26 -6.587 -9.438 -1.745 1.00 0.00 N ATOM 392 CA GLN A 26 -5.651 -9.074 -2.806 1.00 0.00 C ATOM 393 C GLN A 26 -6.290 -8.141 -3.836 1.00 0.00 C ATOM 394 O GLN A 26 -5.709 -7.117 -4.202 1.00 0.00 O ATOM 395 CB GLN A 26 -5.104 -10.326 -3.498 1.00 0.00 C ATOM 396 CG GLN A 26 -4.037 -11.050 -2.691 1.00 0.00 C ATOM 397 CD GLN A 26 -2.769 -10.231 -2.543 1.00 0.00 C ATOM 398 OE1 GLN A 26 -2.619 -9.450 -1.603 1.00 0.00 O ATOM 399 NE2 GLN A 26 -1.842 -10.412 -3.467 1.00 0.00 N ATOM 0 H GLN A 26 -6.804 -10.433 -1.692 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.827 -8.537 -2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.928 -11.012 -3.694 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.688 -10.044 -4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.431 -11.287 -1.703 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.800 -11.998 -3.175 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.004 -11.069 -4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.964 -9.895 -3.417 1.00 0.00 H new ATOM 408 N GLN A 27 -7.484 -8.492 -4.288 1.00 0.00 N ATOM 409 CA GLN A 27 -8.159 -7.738 -5.337 1.00 0.00 C ATOM 410 C GLN A 27 -8.567 -6.344 -4.865 1.00 0.00 C ATOM 411 O GLN A 27 -8.247 -5.342 -5.508 1.00 0.00 O ATOM 412 CB GLN A 27 -9.387 -8.512 -5.828 1.00 0.00 C ATOM 413 CG GLN A 27 -10.219 -7.763 -6.859 1.00 0.00 C ATOM 414 CD GLN A 27 -9.429 -7.363 -8.093 1.00 0.00 C ATOM 415 OE1 GLN A 27 -8.446 -8.166 -8.472 1.00 0.00 O flip ATOM 416 NE2 GLN A 27 -9.713 -6.338 -8.709 1.00 0.00 N flip ATOM 0 H GLN A 27 -8.008 -9.297 -3.944 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.456 -7.611 -6.160 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.059 -9.458 -6.259 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.018 -8.753 -4.972 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.059 -8.388 -7.161 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.637 -6.868 -6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.477 -5.744 -8.386 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.185 -6.081 -9.543 1.00 0.00 H new ATOM 425 N GLN A 28 -9.265 -6.282 -3.739 1.00 0.00 N ATOM 426 CA GLN A 28 -9.827 -5.024 -3.262 1.00 0.00 C ATOM 427 C GLN A 28 -8.742 -4.056 -2.816 1.00 0.00 C ATOM 428 O GLN A 28 -8.758 -2.893 -3.216 1.00 0.00 O ATOM 429 CB GLN A 28 -10.824 -5.259 -2.124 1.00 0.00 C ATOM 430 CG GLN A 28 -12.135 -5.872 -2.584 1.00 0.00 C ATOM 431 CD GLN A 28 -12.927 -4.940 -3.483 1.00 0.00 C ATOM 432 OE1 GLN A 28 -12.770 -4.949 -4.704 1.00 0.00 O ATOM 433 NE2 GLN A 28 -13.780 -4.120 -2.886 1.00 0.00 N ATOM 0 H GLN A 28 -9.456 -7.085 -3.140 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.357 -4.574 -4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.367 -5.913 -1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.030 -4.309 -1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.931 -6.800 -3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.737 -6.131 -1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.883 -4.141 -1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.334 -3.467 -3.441 1.00 0.00 H new ATOM 442 N VAL A 29 -7.782 -4.534 -2.027 1.00 0.00 N ATOM 443 CA VAL A 29 -6.748 -3.657 -1.485 1.00 0.00 C ATOM 444 C VAL A 29 -5.970 -2.967 -2.603 1.00 0.00 C ATOM 445 O VAL A 29 -5.743 -1.761 -2.546 1.00 0.00 O ATOM 446 CB VAL A 29 -5.755 -4.409 -0.569 1.00 0.00 C ATOM 447 CG1 VAL A 29 -4.600 -3.506 -0.181 1.00 0.00 C ATOM 448 CG2 VAL A 29 -6.450 -4.917 0.682 1.00 0.00 C ATOM 0 H VAL A 29 -7.699 -5.513 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.269 -2.911 -0.885 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.368 -5.263 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.912 -4.052 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.075 -3.180 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.982 -2.635 0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.731 -5.442 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.867 -4.075 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.252 -5.599 0.401 1.00 0.00 H new ATOM 458 N LEU A 30 -5.590 -3.725 -3.627 1.00 0.00 N ATOM 459 CA LEU A 30 -4.821 -3.167 -4.734 1.00 0.00 C ATOM 460 C LEU A 30 -5.633 -2.091 -5.459 1.00 0.00 C ATOM 461 O LEU A 30 -5.100 -1.041 -5.826 1.00 0.00 O ATOM 462 CB LEU A 30 -4.388 -4.283 -5.701 1.00 0.00 C ATOM 463 CG LEU A 30 -3.369 -3.882 -6.781 1.00 0.00 C ATOM 464 CD1 LEU A 30 -2.585 -5.098 -7.245 1.00 0.00 C ATOM 465 CD2 LEU A 30 -4.059 -3.235 -7.974 1.00 0.00 C ATOM 0 H LEU A 30 -5.800 -4.719 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.921 -2.698 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.965 -5.100 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.277 -4.673 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.685 -3.157 -6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.868 -4.799 -8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.053 -5.533 -6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.271 -5.836 -7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.314 -2.962 -8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.769 -3.938 -8.409 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.589 -2.341 -7.647 1.00 0.00 H new ATOM 477 N ASN A 31 -6.925 -2.345 -5.640 1.00 0.00 N ATOM 478 CA ASN A 31 -7.797 -1.391 -6.320 1.00 0.00 C ATOM 479 C ASN A 31 -7.972 -0.130 -5.473 1.00 0.00 C ATOM 480 O ASN A 31 -7.975 0.986 -5.995 1.00 0.00 O ATOM 481 CB ASN A 31 -9.163 -2.014 -6.631 1.00 0.00 C ATOM 482 CG ASN A 31 -9.920 -1.225 -7.684 1.00 0.00 C ATOM 483 OD1 ASN A 31 -9.323 -0.640 -8.586 1.00 0.00 O ATOM 484 ND2 ASN A 31 -11.237 -1.199 -7.577 1.00 0.00 N ATOM 0 H ASN A 31 -7.390 -3.197 -5.328 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.325 -1.119 -7.264 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.024 -3.039 -6.976 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.756 -2.062 -5.718 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.794 -0.681 -8.257 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.697 -1.697 -6.815 1.00 0.00 H new ATOM 491 N ILE A 32 -8.103 -0.310 -4.161 1.00 0.00 N ATOM 492 CA ILE A 32 -8.207 0.819 -3.244 1.00 0.00 C ATOM 493 C ILE A 32 -6.901 1.603 -3.227 1.00 0.00 C ATOM 494 O ILE A 32 -6.901 2.833 -3.199 1.00 0.00 O ATOM 495 CB ILE A 32 -8.538 0.365 -1.808 1.00 0.00 C ATOM 496 CG1 ILE A 32 -9.792 -0.510 -1.793 1.00 0.00 C ATOM 497 CG2 ILE A 32 -8.723 1.577 -0.905 1.00 0.00 C ATOM 498 CD1 ILE A 32 -10.092 -1.110 -0.442 1.00 0.00 C ATOM 0 H ILE A 32 -8.139 -1.225 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.021 1.450 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.705 -0.229 -1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.646 0.087 -2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.673 -1.313 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.956 1.245 0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.805 2.164 -0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.541 2.191 -1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.994 -1.718 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.256 -1.734 -0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.243 -0.312 0.285 1.00 0.00 H new ATOM 510 N LEU A 33 -5.788 0.877 -3.254 1.00 0.00 N ATOM 511 CA LEU A 33 -4.466 1.484 -3.328 1.00 0.00 C ATOM 512 C LEU A 33 -4.349 2.381 -4.554 1.00 0.00 C ATOM 513 O LEU A 33 -3.672 3.404 -4.517 1.00 0.00 O ATOM 514 CB LEU A 33 -3.375 0.409 -3.345 1.00 0.00 C ATOM 515 CG LEU A 33 -3.075 -0.239 -1.992 1.00 0.00 C ATOM 516 CD1 LEU A 33 -2.035 -1.336 -2.150 1.00 0.00 C ATOM 517 CD2 LEU A 33 -2.598 0.804 -0.992 1.00 0.00 C ATOM 0 H LEU A 33 -5.778 -0.143 -3.225 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.328 2.100 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.668 -0.372 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.456 0.853 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.995 -0.683 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.832 -1.788 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.411 -2.098 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.115 -0.910 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.390 0.323 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.690 1.277 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.372 1.560 -0.857 1.00 0.00 H new ATOM 529 N LYS A 34 -5.021 1.995 -5.631 1.00 0.00 N ATOM 530 CA LYS A 34 -5.032 2.788 -6.853 1.00 0.00 C ATOM 531 C LYS A 34 -5.835 4.077 -6.650 1.00 0.00 C ATOM 532 O LYS A 34 -5.575 5.093 -7.296 1.00 0.00 O ATOM 533 CB LYS A 34 -5.631 1.975 -8.005 1.00 0.00 C ATOM 534 CG LYS A 34 -5.427 2.605 -9.374 1.00 0.00 C ATOM 535 CD LYS A 34 -3.960 2.601 -9.773 1.00 0.00 C ATOM 536 CE LYS A 34 -3.746 3.210 -11.148 1.00 0.00 C ATOM 537 NZ LYS A 34 -2.338 3.064 -11.597 1.00 0.00 N ATOM 0 H LYS A 34 -5.567 1.135 -5.683 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.004 3.053 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.187 0.980 -8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.699 1.847 -7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.009 2.060 -10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.800 3.629 -9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.382 3.157 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.585 1.578 -9.767 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.410 2.729 -11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.013 4.266 -11.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.228 3.491 -12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.707 3.544 -10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.091 2.055 -11.643 1.00 0.00 H new ATOM 551 N SER A 35 -6.806 4.023 -5.743 1.00 0.00 N ATOM 552 CA SER A 35 -7.657 5.169 -5.448 1.00 0.00 C ATOM 553 C SER A 35 -6.901 6.176 -4.582 1.00 0.00 C ATOM 554 O SER A 35 -7.159 7.381 -4.637 1.00 0.00 O ATOM 555 CB SER A 35 -8.934 4.697 -4.743 1.00 0.00 C ATOM 556 OG SER A 35 -9.920 5.715 -4.702 1.00 0.00 O ATOM 0 H SER A 35 -7.023 3.190 -5.196 1.00 0.00 H new ATOM 0 HA SER A 35 -7.935 5.661 -6.380 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.334 3.825 -5.260 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.694 4.383 -3.727 1.00 0.00 H new ATOM 0 HG SER A 35 -10.720 5.378 -4.247 1.00 0.00 H new ATOM 562 N ASN A 36 -5.968 5.669 -3.784 1.00 0.00 N ATOM 563 CA ASN A 36 -5.061 6.515 -3.015 1.00 0.00 C ATOM 564 C ASN A 36 -3.610 6.185 -3.386 1.00 0.00 C ATOM 565 O ASN A 36 -2.865 5.588 -2.605 1.00 0.00 O ATOM 566 CB ASN A 36 -5.320 6.378 -1.496 1.00 0.00 C ATOM 567 CG ASN A 36 -5.485 4.942 -0.998 1.00 0.00 C ATOM 568 OD1 ASN A 36 -4.696 4.015 -1.512 1.00 0.00 O flip ATOM 569 ND2 ASN A 36 -6.299 4.680 -0.114 1.00 0.00 N flip ATOM 0 H ASN A 36 -5.819 4.669 -3.652 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.247 7.559 -3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.493 6.841 -0.958 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.219 6.940 -1.243 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.895 5.416 0.264 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.378 3.727 0.241 1.00 0.00 H new ATOM 576 N PRO A 37 -3.193 6.607 -4.597 1.00 0.00 N ATOM 577 CA PRO A 37 -1.951 6.145 -5.245 1.00 0.00 C ATOM 578 C PRO A 37 -0.700 6.366 -4.408 1.00 0.00 C ATOM 579 O PRO A 37 0.263 5.615 -4.528 1.00 0.00 O ATOM 580 CB PRO A 37 -1.877 6.972 -6.536 1.00 0.00 C ATOM 581 CG PRO A 37 -2.802 8.117 -6.318 1.00 0.00 C ATOM 582 CD PRO A 37 -3.892 7.595 -5.431 1.00 0.00 C ATOM 0 HA PRO A 37 -1.982 5.067 -5.405 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.861 7.317 -6.725 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.179 6.381 -7.401 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.285 8.955 -5.851 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.206 8.479 -7.263 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.338 8.388 -4.830 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.698 7.140 -6.007 1.00 0.00 H new ATOM 590 N GLN A 38 -0.718 7.381 -3.554 1.00 0.00 N ATOM 591 CA GLN A 38 0.449 7.711 -2.748 1.00 0.00 C ATOM 592 C GLN A 38 0.823 6.546 -1.834 1.00 0.00 C ATOM 593 O GLN A 38 2.003 6.273 -1.611 1.00 0.00 O ATOM 594 CB GLN A 38 0.193 8.971 -1.920 1.00 0.00 C ATOM 595 CG GLN A 38 1.446 9.528 -1.266 1.00 0.00 C ATOM 596 CD GLN A 38 2.526 9.843 -2.282 1.00 0.00 C ATOM 597 OE1 GLN A 38 2.579 10.946 -2.828 1.00 0.00 O ATOM 598 NE2 GLN A 38 3.391 8.878 -2.543 1.00 0.00 N ATOM 0 H GLN A 38 -1.524 7.987 -3.402 1.00 0.00 H new ATOM 0 HA GLN A 38 1.283 7.902 -3.423 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.244 9.736 -2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.542 8.746 -1.147 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.194 10.433 -0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.828 8.808 -0.543 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.311 7.979 -2.068 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.139 9.032 -3.219 1.00 0.00 H new ATOM 607 N LEU A 39 -0.189 5.859 -1.316 1.00 0.00 N ATOM 608 CA LEU A 39 0.035 4.702 -0.461 1.00 0.00 C ATOM 609 C LEU A 39 0.432 3.489 -1.288 1.00 0.00 C ATOM 610 O LEU A 39 1.242 2.670 -0.854 1.00 0.00 O ATOM 611 CB LEU A 39 -1.206 4.400 0.380 1.00 0.00 C ATOM 612 CG LEU A 39 -1.169 4.962 1.803 1.00 0.00 C ATOM 613 CD1 LEU A 39 -0.110 4.240 2.623 1.00 0.00 C ATOM 614 CD2 LEU A 39 -0.892 6.458 1.779 1.00 0.00 C ATOM 0 H LEU A 39 -1.171 6.084 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 39 0.856 4.936 0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.081 4.801 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.337 3.319 0.434 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.142 4.801 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.092 4.648 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.345 3.176 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.866 4.378 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.869 6.840 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.070 6.642 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.678 6.965 1.219 1.00 0.00 H new ATOM 626 N MET A 40 -0.137 3.381 -2.483 1.00 0.00 N ATOM 627 CA MET A 40 0.212 2.298 -3.392 1.00 0.00 C ATOM 628 C MET A 40 1.680 2.411 -3.775 1.00 0.00 C ATOM 629 O MET A 40 2.407 1.420 -3.803 1.00 0.00 O ATOM 630 CB MET A 40 -0.664 2.337 -4.647 1.00 0.00 C ATOM 631 CG MET A 40 -0.502 1.113 -5.531 1.00 0.00 C ATOM 632 SD MET A 40 -1.568 1.161 -6.985 1.00 0.00 S ATOM 633 CE MET A 40 -1.313 -0.489 -7.638 1.00 0.00 C ATOM 0 H MET A 40 -0.839 4.028 -2.843 1.00 0.00 H new ATOM 0 HA MET A 40 0.039 1.347 -2.888 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.709 2.426 -4.350 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.420 3.229 -5.225 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.537 1.035 -5.850 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.726 0.218 -4.950 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.213 -0.818 -8.157 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.475 -0.479 -8.335 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.095 -1.175 -6.819 1.00 0.00 H new ATOM 643 N ALA A 41 2.103 3.642 -4.037 1.00 0.00 N ATOM 644 CA ALA A 41 3.490 3.937 -4.366 1.00 0.00 C ATOM 645 C ALA A 41 4.423 3.469 -3.257 1.00 0.00 C ATOM 646 O ALA A 41 5.486 2.909 -3.527 1.00 0.00 O ATOM 647 CB ALA A 41 3.671 5.431 -4.614 1.00 0.00 C ATOM 0 H ALA A 41 1.495 4.461 -4.027 1.00 0.00 H new ATOM 0 HA ALA A 41 3.745 3.396 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.713 5.636 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.036 5.742 -5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.394 5.985 -3.717 1.00 0.00 H new ATOM 653 N ALA A 42 4.015 3.690 -2.009 1.00 0.00 N ATOM 654 CA ALA A 42 4.818 3.283 -0.864 1.00 0.00 C ATOM 655 C ALA A 42 4.927 1.764 -0.783 1.00 0.00 C ATOM 656 O ALA A 42 6.012 1.220 -0.582 1.00 0.00 O ATOM 657 CB ALA A 42 4.234 3.848 0.423 1.00 0.00 C ATOM 0 H ALA A 42 3.136 4.147 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 42 5.823 3.685 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.846 3.534 1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.220 4.937 0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.217 3.478 0.554 1.00 0.00 H new ATOM 663 N PHE A 43 3.799 1.086 -0.954 1.00 0.00 N ATOM 664 CA PHE A 43 3.771 -0.374 -0.919 1.00 0.00 C ATOM 665 C PHE A 43 4.611 -0.973 -2.049 1.00 0.00 C ATOM 666 O PHE A 43 5.389 -1.906 -1.827 1.00 0.00 O ATOM 667 CB PHE A 43 2.329 -0.888 -0.999 1.00 0.00 C ATOM 668 CG PHE A 43 2.225 -2.385 -1.123 1.00 0.00 C ATOM 669 CD1 PHE A 43 2.927 -3.221 -0.264 1.00 0.00 C ATOM 670 CD2 PHE A 43 1.435 -2.955 -2.110 1.00 0.00 C ATOM 671 CE1 PHE A 43 2.838 -4.593 -0.387 1.00 0.00 C ATOM 672 CE2 PHE A 43 1.343 -4.327 -2.235 1.00 0.00 C ATOM 673 CZ PHE A 43 2.045 -5.147 -1.372 1.00 0.00 C ATOM 0 H PHE A 43 2.891 1.522 -1.118 1.00 0.00 H new ATOM 0 HA PHE A 43 4.205 -0.692 0.029 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.789 -0.568 -0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.835 -0.426 -1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.549 -2.793 0.508 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.886 -2.319 -2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.388 -5.233 0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.723 -4.759 -3.007 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.973 -6.220 -1.468 1.00 0.00 H new ATOM 683 N ILE A 44 4.462 -0.432 -3.252 1.00 0.00 N ATOM 684 CA ILE A 44 5.196 -0.930 -4.411 1.00 0.00 C ATOM 685 C ILE A 44 6.693 -0.692 -4.240 1.00 0.00 C ATOM 686 O ILE A 44 7.509 -1.528 -4.619 1.00 0.00 O ATOM 687 CB ILE A 44 4.715 -0.272 -5.723 1.00 0.00 C ATOM 688 CG1 ILE A 44 3.237 -0.594 -5.963 1.00 0.00 C ATOM 689 CG2 ILE A 44 5.562 -0.738 -6.903 1.00 0.00 C ATOM 690 CD1 ILE A 44 2.668 0.047 -7.209 1.00 0.00 C ATOM 0 H ILE A 44 3.840 0.351 -3.451 1.00 0.00 H new ATOM 0 HA ILE A 44 5.002 -2.001 -4.477 1.00 0.00 H new ATOM 0 HB ILE A 44 4.828 0.808 -5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.117 -1.675 -6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.658 -0.265 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.206 -0.262 -7.817 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.604 -0.465 -6.734 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.483 -1.821 -7.003 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.618 -0.227 -7.312 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.755 1.131 -7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.221 -0.301 -8.082 1.00 0.00 H new ATOM 702 N LYS A 45 7.039 0.437 -3.636 1.00 0.00 N ATOM 703 CA LYS A 45 8.435 0.797 -3.403 1.00 0.00 C ATOM 704 C LYS A 45 9.108 -0.209 -2.467 1.00 0.00 C ATOM 705 O LYS A 45 10.314 -0.443 -2.551 1.00 0.00 O ATOM 706 CB LYS A 45 8.506 2.209 -2.815 1.00 0.00 C ATOM 707 CG LYS A 45 9.909 2.788 -2.736 1.00 0.00 C ATOM 708 CD LYS A 45 9.883 4.232 -2.260 1.00 0.00 C ATOM 709 CE LYS A 45 9.097 5.118 -3.217 1.00 0.00 C ATOM 710 NZ LYS A 45 8.988 6.518 -2.728 1.00 0.00 N ATOM 0 H LYS A 45 6.368 1.125 -3.295 1.00 0.00 H new ATOM 0 HA LYS A 45 8.969 0.776 -4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.886 2.872 -3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.076 2.194 -1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.514 2.189 -2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.383 2.734 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.437 4.281 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.903 4.606 -2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.581 5.113 -4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.098 4.704 -3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.445 7.083 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.503 6.528 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.940 6.924 -2.622 1.00 0.00 H new ATOM 724 N GLN A 46 8.315 -0.805 -1.581 1.00 0.00 N ATOM 725 CA GLN A 46 8.819 -1.798 -0.632 1.00 0.00 C ATOM 726 C GLN A 46 8.897 -3.184 -1.268 1.00 0.00 C ATOM 727 O GLN A 46 9.533 -4.091 -0.732 1.00 0.00 O ATOM 728 CB GLN A 46 7.929 -1.847 0.611 1.00 0.00 C ATOM 729 CG GLN A 46 7.890 -0.536 1.378 1.00 0.00 C ATOM 730 CD GLN A 46 6.925 -0.565 2.549 1.00 0.00 C ATOM 731 OE1 GLN A 46 5.850 -1.332 2.423 1.00 0.00 O flip ATOM 732 NE2 GLN A 46 7.141 0.104 3.559 1.00 0.00 N flip ATOM 0 H GLN A 46 7.316 -0.618 -1.499 1.00 0.00 H new ATOM 0 HA GLN A 46 9.826 -1.498 -0.342 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.915 -2.115 0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.286 -2.636 1.273 1.00 0.00 H new ATOM 0 HG2 GLN A 46 8.890 -0.305 1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.605 0.268 0.699 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.979 0.682 3.618 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.482 0.081 4.337 1.00 0.00 H new ATOM 741 N ARG A 47 8.221 -3.331 -2.408 1.00 0.00 N ATOM 742 CA ARG A 47 8.209 -4.575 -3.183 1.00 0.00 C ATOM 743 C ARG A 47 7.642 -5.749 -2.378 1.00 0.00 C ATOM 744 O ARG A 47 7.996 -6.902 -2.623 1.00 0.00 O ATOM 745 CB ARG A 47 9.613 -4.922 -3.699 1.00 0.00 C ATOM 746 CG ARG A 47 10.203 -3.887 -4.650 1.00 0.00 C ATOM 747 CD ARG A 47 9.301 -3.635 -5.853 1.00 0.00 C ATOM 748 NE ARG A 47 8.975 -4.864 -6.582 1.00 0.00 N ATOM 749 CZ ARG A 47 8.432 -4.887 -7.799 1.00 0.00 C ATOM 750 NH1 ARG A 47 8.206 -3.757 -8.451 1.00 0.00 N ATOM 751 NH2 ARG A 47 8.135 -6.047 -8.369 1.00 0.00 N ATOM 0 H ARG A 47 7.662 -2.586 -2.824 1.00 0.00 H new ATOM 0 HA ARG A 47 7.553 -4.405 -4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.282 -5.039 -2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.573 -5.885 -4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.362 -2.951 -4.114 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.180 -4.227 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.379 -3.161 -5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.791 -2.935 -6.530 1.00 0.00 H new ATOM 0 HE ARG A 47 9.176 -5.756 -6.130 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.448 -2.864 -8.022 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.790 -3.780 -9.382 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.322 -6.920 -7.876 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.719 -6.066 -9.300 1.00 0.00 H new ATOM 765 N THR A 48 6.750 -5.444 -1.434 1.00 0.00 N ATOM 766 CA THR A 48 6.102 -6.455 -0.598 1.00 0.00 C ATOM 767 C THR A 48 7.097 -7.157 0.338 1.00 0.00 C ATOM 768 O THR A 48 7.227 -6.784 1.505 1.00 0.00 O ATOM 769 CB THR A 48 5.361 -7.510 -1.449 1.00 0.00 C ATOM 770 OG1 THR A 48 4.577 -6.862 -2.455 1.00 0.00 O ATOM 771 CG2 THR A 48 4.456 -8.369 -0.583 1.00 0.00 C ATOM 0 H THR A 48 6.457 -4.489 -1.228 1.00 0.00 H new ATOM 0 HA THR A 48 5.374 -5.920 0.013 1.00 0.00 H new ATOM 0 HB THR A 48 6.107 -8.151 -1.919 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.850 -6.361 -2.031 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.946 -9.103 -1.206 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.054 -8.884 0.169 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.718 -7.737 -0.089 1.00 0.00 H new ATOM 779 N ALA A 49 7.803 -8.161 -0.176 1.00 0.00 N ATOM 780 CA ALA A 49 8.710 -8.952 0.649 1.00 0.00 C ATOM 781 C ALA A 49 10.085 -9.084 0.007 1.00 0.00 C ATOM 782 O ALA A 49 10.897 -9.918 0.409 1.00 0.00 O ATOM 783 CB ALA A 49 8.115 -10.323 0.916 1.00 0.00 C ATOM 0 H ALA A 49 7.765 -8.445 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 49 8.839 -8.429 1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.801 -10.904 1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.164 -10.212 1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.952 -10.839 -0.030 1.00 0.00 H new ATOM 789 N LYS A 50 10.345 -8.261 -0.992 1.00 0.00 N ATOM 790 CA LYS A 50 11.656 -8.228 -1.616 1.00 0.00 C ATOM 791 C LYS A 50 12.490 -7.148 -0.948 1.00 0.00 C ATOM 792 O LYS A 50 11.977 -6.074 -0.635 1.00 0.00 O ATOM 793 CB LYS A 50 11.543 -7.958 -3.119 1.00 0.00 C ATOM 794 CG LYS A 50 10.671 -8.958 -3.862 1.00 0.00 C ATOM 795 CD LYS A 50 11.225 -10.372 -3.779 1.00 0.00 C ATOM 796 CE LYS A 50 10.403 -11.341 -4.615 1.00 0.00 C ATOM 797 NZ LYS A 50 9.018 -11.494 -4.098 1.00 0.00 N ATOM 0 H LYS A 50 9.669 -7.608 -1.388 1.00 0.00 H new ATOM 0 HA LYS A 50 12.136 -9.198 -1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.139 -6.957 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.542 -7.967 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.663 -8.939 -3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.590 -8.661 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.259 -10.380 -4.123 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.232 -10.701 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.367 -10.989 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.894 -12.314 -4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.533 -12.249 -4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.050 -11.741 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.501 -10.600 -4.220 1.00 0.00 H new ATOM 811 N TYR A 51 13.764 -7.429 -0.719 1.00 0.00 N ATOM 812 CA TYR A 51 14.625 -6.513 0.014 1.00 0.00 C ATOM 813 C TYR A 51 15.449 -5.670 -0.946 1.00 0.00 C ATOM 814 O TYR A 51 16.572 -6.022 -1.308 1.00 0.00 O ATOM 815 CB TYR A 51 15.524 -7.288 0.978 1.00 0.00 C ATOM 816 CG TYR A 51 14.737 -8.154 1.934 1.00 0.00 C ATOM 817 CD1 TYR A 51 14.072 -7.601 3.021 1.00 0.00 C ATOM 818 CD2 TYR A 51 14.643 -9.522 1.732 1.00 0.00 C ATOM 819 CE1 TYR A 51 13.336 -8.393 3.881 1.00 0.00 C ATOM 820 CE2 TYR A 51 13.906 -10.317 2.583 1.00 0.00 C ATOM 821 CZ TYR A 51 13.259 -9.751 3.658 1.00 0.00 C ATOM 822 OH TYR A 51 12.515 -10.543 4.503 1.00 0.00 O ATOM 0 H TYR A 51 14.225 -8.284 -1.030 1.00 0.00 H new ATOM 0 HA TYR A 51 14.001 -5.838 0.599 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.210 -7.914 0.407 1.00 0.00 H new ATOM 0 HB3 TYR A 51 16.133 -6.585 1.547 1.00 0.00 H new ATOM 0 HD1 TYR A 51 14.131 -6.537 3.196 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.155 -9.972 0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 51 12.824 -7.951 4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.836 -11.380 2.407 1.00 0.00 H new ATOM 0 HH TYR A 51 12.564 -11.475 4.205 1.00 0.00 H new ATOM 832 N VAL A 52 14.868 -4.554 -1.355 1.00 0.00 N ATOM 833 CA VAL A 52 15.501 -3.645 -2.299 1.00 0.00 C ATOM 834 C VAL A 52 16.076 -2.436 -1.576 1.00 0.00 C ATOM 835 O VAL A 52 16.492 -1.460 -2.200 1.00 0.00 O ATOM 836 CB VAL A 52 14.507 -3.171 -3.379 1.00 0.00 C ATOM 837 CG1 VAL A 52 14.064 -4.342 -4.239 1.00 0.00 C ATOM 838 CG2 VAL A 52 13.303 -2.486 -2.749 1.00 0.00 C ATOM 0 H VAL A 52 13.945 -4.252 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 52 16.307 -4.194 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 52 15.014 -2.444 -4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.363 -3.992 -4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.933 -4.785 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.578 -5.090 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.618 -2.162 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.792 -3.185 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.635 -1.620 -2.176 1.00 0.00 H new ATOM 848 N ALA A 53 16.092 -2.507 -0.252 1.00 0.00 N ATOM 849 CA ALA A 53 16.648 -1.440 0.571 1.00 0.00 C ATOM 850 C ALA A 53 18.168 -1.557 0.643 1.00 0.00 C ATOM 851 O ALA A 53 18.755 -1.663 1.723 1.00 0.00 O ATOM 852 CB ALA A 53 16.035 -1.468 1.963 1.00 0.00 C ATOM 0 H ALA A 53 15.724 -3.297 0.278 1.00 0.00 H new ATOM 0 HA ALA A 53 16.403 -0.483 0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.461 -0.665 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.956 -1.332 1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 53 16.248 -2.427 2.435 1.00 0.00 H new ATOM 858 N ASN A 54 18.796 -1.546 -0.519 1.00 0.00 N ATOM 859 CA ASN A 54 20.240 -1.668 -0.617 1.00 0.00 C ATOM 860 C ASN A 54 20.814 -0.434 -1.297 1.00 0.00 C ATOM 861 O ASN A 54 20.758 -0.300 -2.519 1.00 0.00 O ATOM 862 CB ASN A 54 20.614 -2.934 -1.402 1.00 0.00 C ATOM 863 CG ASN A 54 22.105 -3.239 -1.377 1.00 0.00 C ATOM 864 OD1 ASN A 54 22.942 -2.344 -1.265 1.00 0.00 O ATOM 865 ND2 ASN A 54 22.448 -4.512 -1.500 1.00 0.00 N ATOM 0 H ASN A 54 18.322 -1.453 -1.418 1.00 0.00 H new ATOM 0 HA ASN A 54 20.660 -1.748 0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 54 20.069 -3.783 -0.989 1.00 0.00 H new ATOM 0 HB3 ASN A 54 20.291 -2.820 -2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 54 23.433 -4.777 -1.504 1.00 0.00 H new ATOM 0 HD22 ASN A 54 21.727 -5.228 -1.591 1.00 0.00 H new ATOM 872 N GLN A 55 21.346 0.471 -0.497 1.00 0.00 N ATOM 873 CA GLN A 55 21.977 1.671 -1.015 1.00 0.00 C ATOM 874 C GLN A 55 23.483 1.584 -0.776 1.00 0.00 C ATOM 875 O GLN A 55 23.910 1.166 0.301 1.00 0.00 O ATOM 876 CB GLN A 55 21.390 2.913 -0.331 1.00 0.00 C ATOM 877 CG GLN A 55 21.864 4.232 -0.925 1.00 0.00 C ATOM 878 CD GLN A 55 21.125 5.432 -0.360 1.00 0.00 C ATOM 879 OE1 GLN A 55 20.721 5.350 0.897 1.00 0.00 O flip ATOM 880 NE2 GLN A 55 20.929 6.435 -1.051 1.00 0.00 N flip ATOM 0 H GLN A 55 21.354 0.397 0.520 1.00 0.00 H new ATOM 0 HA GLN A 55 21.789 1.754 -2.085 1.00 0.00 H new ATOM 0 HB2 GLN A 55 20.303 2.869 -0.393 1.00 0.00 H new ATOM 0 HB3 GLN A 55 21.650 2.889 0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 55 22.931 4.347 -0.737 1.00 0.00 H new ATOM 0 HG3 GLN A 55 21.732 4.206 -2.007 1.00 0.00 H new ATOM 0 HE21 GLN A 55 21.256 6.461 -2.017 1.00 0.00 H new ATOM 0 HE22 GLN A 55 20.440 7.239 -0.656 1.00 0.00 H new ATOM 889 N PRO A 56 24.305 1.954 -1.778 1.00 0.00 N ATOM 890 CA PRO A 56 25.775 1.893 -1.678 1.00 0.00 C ATOM 891 C PRO A 56 26.356 2.939 -0.719 1.00 0.00 C ATOM 892 O PRO A 56 27.289 3.668 -1.058 1.00 0.00 O ATOM 893 CB PRO A 56 26.242 2.158 -3.111 1.00 0.00 C ATOM 894 CG PRO A 56 25.134 2.928 -3.741 1.00 0.00 C ATOM 895 CD PRO A 56 23.865 2.441 -3.099 1.00 0.00 C ATOM 0 HA PRO A 56 26.108 0.937 -1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 56 27.173 2.724 -3.124 1.00 0.00 H new ATOM 0 HB3 PRO A 56 26.428 1.226 -3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 56 25.265 3.998 -3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 56 25.112 2.766 -4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 56 23.131 3.241 -3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 56 23.400 1.647 -3.684 1.00 0.00 H new ATOM 903 N GLY A 57 25.773 3.019 0.466 1.00 0.00 N ATOM 904 CA GLY A 57 26.300 3.861 1.518 1.00 0.00 C ATOM 905 C GLY A 57 26.430 3.098 2.822 1.00 0.00 C ATOM 906 O GLY A 57 26.821 3.659 3.846 1.00 0.00 O ATOM 0 H GLY A 57 24.929 2.506 0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 57 27.275 4.249 1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 57 25.645 4.721 1.661 1.00 0.00 H new ATOM 910 N MET A 58 26.098 1.813 2.779 1.00 0.00 N ATOM 911 CA MET A 58 26.162 0.960 3.958 1.00 0.00 C ATOM 912 C MET A 58 27.553 0.356 4.091 1.00 0.00 C ATOM 913 O MET A 58 28.162 -0.043 3.097 1.00 0.00 O ATOM 914 CB MET A 58 25.122 -0.160 3.871 1.00 0.00 C ATOM 915 CG MET A 58 23.686 0.330 3.765 1.00 0.00 C ATOM 916 SD MET A 58 23.143 1.242 5.222 1.00 0.00 S ATOM 917 CE MET A 58 21.448 1.611 4.771 1.00 0.00 C ATOM 0 H MET A 58 25.780 1.337 1.935 1.00 0.00 H new ATOM 0 HA MET A 58 25.948 1.571 4.835 1.00 0.00 H new ATOM 0 HB2 MET A 58 25.347 -0.783 3.005 1.00 0.00 H new ATOM 0 HB3 MET A 58 25.213 -0.795 4.752 1.00 0.00 H new ATOM 0 HG2 MET A 58 23.590 0.969 2.887 1.00 0.00 H new ATOM 0 HG3 MET A 58 23.027 -0.524 3.612 1.00 0.00 H new ATOM 0 HE1 MET A 58 20.973 2.175 5.573 1.00 0.00 H new ATOM 0 HE2 MET A 58 21.436 2.202 3.855 1.00 0.00 H new ATOM 0 HE3 MET A 58 20.904 0.681 4.610 1.00 0.00 H new ATOM 927 N GLN A 59 28.054 0.297 5.311 1.00 0.00 N ATOM 928 CA GLN A 59 29.358 -0.284 5.572 1.00 0.00 C ATOM 929 C GLN A 59 29.219 -1.487 6.494 1.00 0.00 C ATOM 930 O GLN A 59 29.032 -1.286 7.714 1.00 0.00 O ATOM 931 CB GLN A 59 30.287 0.759 6.194 1.00 0.00 C ATOM 932 CG GLN A 59 31.742 0.330 6.251 1.00 0.00 C ATOM 933 CD GLN A 59 32.619 1.379 6.900 1.00 0.00 C ATOM 934 OE1 GLN A 59 33.135 2.276 6.230 1.00 0.00 O ATOM 935 NE2 GLN A 59 32.803 1.266 8.204 1.00 0.00 N ATOM 936 OXT GLN A 59 29.276 -2.627 5.998 1.00 0.00 O ATOM 0 H GLN A 59 27.575 0.646 6.141 1.00 0.00 H new ATOM 0 HA GLN A 59 29.791 -0.615 4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 59 30.213 1.684 5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 59 29.944 0.981 7.205 1.00 0.00 H new ATOM 0 HG2 GLN A 59 31.823 -0.604 6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 59 32.101 0.132 5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 59 32.356 0.507 8.718 1.00 0.00 H new ATOM 0 HE22 GLN A 59 33.392 1.938 8.696 1.00 0.00 H new TER 945 GLN A 59