USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 488 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 16 SER OG : rot -127:sc= 0.848! USER MOD Set 1.2: A 18 SER OG : rot 180:sc= 1.07 USER MOD Set 2.1: A 13 LYS NZ :NH3+ -115:sc= -2.28! (180deg=-4.36!) USER MOD Set 2.2: A 55 THR OG1 : rot 95:sc= -0.757! USER MOD Single : A 5 ASN : amide:sc= -7.15! C(o=-7.2!,f=-5.9!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= -0.0101 (180deg=-0.407) USER MOD Single : A 17 GLN : amide:sc= -2.74! C(o=-2.7!,f=-16!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.205 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.636! C(o=0.64!,f=-8.4!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.164) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -3.15! C(o=-3.2!,f=-1.8!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= -0.0874 (180deg=-0.628) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 172:sc= 1.17 USER MOD Single : A 54 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 2.370 6.773 -0.798 1.00 0.00 N ATOM 71 CA ASN A 5 2.826 6.151 -2.034 1.00 0.00 C ATOM 72 C ASN A 5 2.655 4.647 -1.961 1.00 0.00 C ATOM 73 O ASN A 5 2.484 3.984 -2.982 1.00 0.00 O ATOM 74 CB ASN A 5 4.290 6.477 -2.318 1.00 0.00 C ATOM 75 CG ASN A 5 4.702 5.812 -3.620 1.00 0.00 C ATOM 76 OD1 ASN A 5 4.293 6.252 -4.695 1.00 0.00 O ATOM 77 ND2 ASN A 5 5.469 4.768 -3.597 1.00 0.00 N ATOM 0 HA ASN A 5 2.218 6.552 -2.845 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.429 7.556 -2.386 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.919 6.126 -1.500 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.734 4.311 -4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.808 4.404 -2.707 1.00 0.00 H new ATOM 84 N LEU A 6 2.681 4.116 -0.744 1.00 0.00 N ATOM 85 CA LEU A 6 2.508 2.681 -0.522 1.00 0.00 C ATOM 86 C LEU A 6 1.347 2.156 -1.371 1.00 0.00 C ATOM 87 O LEU A 6 1.364 1.009 -1.826 1.00 0.00 O ATOM 88 CB LEU A 6 2.243 2.419 0.981 1.00 0.00 C ATOM 89 CG LEU A 6 2.187 0.905 1.311 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.822 0.312 0.932 1.00 0.00 C ATOM 91 CD2 LEU A 6 3.302 0.137 0.588 1.00 0.00 C ATOM 0 H LEU A 6 2.821 4.658 0.109 1.00 0.00 H new ATOM 0 HA LEU A 6 3.416 2.156 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.027 2.889 1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.302 2.887 1.269 1.00 0.00 H new ATOM 0 HG LEU A 6 2.333 0.801 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.807 -0.751 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.036 0.821 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.652 0.444 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.237 -0.922 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.190 0.262 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.272 0.525 0.900 1.00 0.00 H new ATOM 103 N LYS A 7 0.375 3.022 -1.645 1.00 0.00 N ATOM 104 CA LYS A 7 -0.754 2.640 -2.481 1.00 0.00 C ATOM 105 C LYS A 7 -0.275 2.173 -3.856 1.00 0.00 C ATOM 106 O LYS A 7 -0.799 1.209 -4.412 1.00 0.00 O ATOM 107 CB LYS A 7 -1.750 3.808 -2.628 1.00 0.00 C ATOM 108 CG LYS A 7 -1.172 4.895 -3.555 1.00 0.00 C ATOM 109 CD LYS A 7 -2.201 6.013 -3.764 1.00 0.00 C ATOM 110 CE LYS A 7 -2.298 6.875 -2.497 1.00 0.00 C ATOM 111 NZ LYS A 7 -1.969 8.284 -2.824 1.00 0.00 N ATOM 0 H LYS A 7 0.348 3.983 -1.303 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.268 1.811 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.693 3.441 -3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.967 4.234 -1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.260 5.306 -3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.899 4.457 -4.515 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.912 6.631 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.175 5.584 -3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.303 6.814 -2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.614 6.499 -1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.036 8.865 -1.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.002 8.336 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.639 8.641 -3.535 1.00 0.00 H new ATOM 125 N LEU A 8 0.727 2.848 -4.389 1.00 0.00 N ATOM 126 CA LEU A 8 1.266 2.497 -5.696 1.00 0.00 C ATOM 127 C LEU A 8 1.882 1.110 -5.680 1.00 0.00 C ATOM 128 O LEU A 8 1.798 0.368 -6.656 1.00 0.00 O ATOM 129 CB LEU A 8 2.257 3.548 -6.212 1.00 0.00 C ATOM 130 CG LEU A 8 1.509 4.870 -6.469 1.00 0.00 C ATOM 131 CD1 LEU A 8 2.484 5.949 -6.950 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.416 4.661 -7.524 1.00 0.00 C ATOM 0 H LEU A 8 1.185 3.641 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 8 0.431 2.482 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.053 3.703 -5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.729 3.199 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 8 1.051 5.194 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.941 6.877 -7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.247 6.115 -6.190 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.959 5.624 -7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.106 5.602 -7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.869 4.320 -8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.293 3.912 -7.170 1.00 0.00 H new ATOM 144 N ILE A 9 2.457 0.739 -4.557 1.00 0.00 N ATOM 145 CA ILE A 9 3.045 -0.581 -4.428 1.00 0.00 C ATOM 146 C ILE A 9 1.966 -1.641 -4.669 1.00 0.00 C ATOM 147 O ILE A 9 2.222 -2.674 -5.283 1.00 0.00 O ATOM 148 CB ILE A 9 3.704 -0.771 -3.046 1.00 0.00 C ATOM 149 CG1 ILE A 9 4.681 0.384 -2.762 1.00 0.00 C ATOM 150 CG2 ILE A 9 4.486 -2.090 -3.037 1.00 0.00 C ATOM 151 CD1 ILE A 9 5.793 0.406 -3.818 1.00 0.00 C ATOM 0 H ILE A 9 2.531 1.325 -3.725 1.00 0.00 H new ATOM 0 HA ILE A 9 3.831 -0.690 -5.176 1.00 0.00 H new ATOM 0 HB ILE A 9 2.927 -0.785 -2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.145 1.333 -2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.114 0.268 -1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.954 -2.229 -2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.805 -2.918 -3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.256 -2.062 -3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.478 1.227 -3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.338 -0.538 -3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.354 0.544 -4.806 1.00 0.00 H new ATOM 163 N ARG A 10 0.758 -1.367 -4.189 1.00 0.00 N ATOM 164 CA ARG A 10 -0.364 -2.294 -4.340 1.00 0.00 C ATOM 165 C ARG A 10 -0.652 -2.577 -5.817 1.00 0.00 C ATOM 166 O ARG A 10 -0.803 -3.740 -6.199 1.00 0.00 O ATOM 167 CB ARG A 10 -1.606 -1.725 -3.619 1.00 0.00 C ATOM 168 CG ARG A 10 -1.366 -1.832 -2.107 1.00 0.00 C ATOM 169 CD ARG A 10 -2.339 -0.950 -1.295 1.00 0.00 C ATOM 170 NE ARG A 10 -3.739 -1.356 -1.436 1.00 0.00 N ATOM 171 CZ ARG A 10 -4.707 -0.770 -0.697 1.00 0.00 C ATOM 172 NH1 ARG A 10 -4.397 0.181 0.144 1.00 0.00 N ATOM 173 NH2 ARG A 10 -5.944 -1.149 -0.818 1.00 0.00 N ATOM 0 H ARG A 10 0.528 -0.508 -3.690 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.101 -3.247 -3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.771 -0.687 -3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.500 -2.280 -3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.476 -2.871 -1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.340 -1.539 -1.883 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.061 -0.988 -0.242 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.234 0.086 -1.616 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.986 -2.090 -2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.426 0.479 0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.126 0.625 0.703 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.188 -1.892 -1.473 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.671 -0.704 -0.258 1.00 0.00 H new ATOM 187 N GLU A 11 -0.625 -1.546 -6.668 1.00 0.00 N ATOM 188 CA GLU A 11 -0.762 -1.797 -8.111 1.00 0.00 C ATOM 189 C GLU A 11 0.499 -2.472 -8.629 1.00 0.00 C ATOM 190 O GLU A 11 0.449 -3.365 -9.476 1.00 0.00 O ATOM 191 CB GLU A 11 -1.006 -0.508 -8.925 1.00 0.00 C ATOM 192 CG GLU A 11 -1.092 0.730 -8.030 1.00 0.00 C ATOM 193 CD GLU A 11 -1.353 1.950 -8.892 1.00 0.00 C ATOM 194 OE1 GLU A 11 -0.583 2.186 -9.799 1.00 0.00 O ATOM 195 OE2 GLU A 11 -2.323 2.626 -8.650 1.00 0.00 O ATOM 0 H GLU A 11 -0.514 -0.568 -6.401 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.634 -2.438 -8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.200 -0.378 -9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.930 -0.608 -9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.890 0.610 -7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.164 0.856 -7.472 1.00 0.00 H new ATOM 202 N LYS A 12 1.636 -1.997 -8.149 1.00 0.00 N ATOM 203 CA LYS A 12 2.926 -2.503 -8.586 1.00 0.00 C ATOM 204 C LYS A 12 3.078 -3.967 -8.229 1.00 0.00 C ATOM 205 O LYS A 12 3.533 -4.772 -9.038 1.00 0.00 O ATOM 206 CB LYS A 12 4.037 -1.679 -7.946 1.00 0.00 C ATOM 207 CG LYS A 12 3.993 -0.283 -8.557 1.00 0.00 C ATOM 208 CD LYS A 12 5.069 0.604 -7.946 1.00 0.00 C ATOM 209 CE LYS A 12 4.974 1.973 -8.612 1.00 0.00 C ATOM 210 NZ LYS A 12 6.028 2.882 -8.088 1.00 0.00 N ATOM 0 H LYS A 12 1.691 -1.255 -7.451 1.00 0.00 H new ATOM 0 HA LYS A 12 2.992 -2.415 -9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.901 -1.628 -6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.007 -2.143 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.137 -0.348 -9.636 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.011 0.161 -8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.926 0.692 -6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.057 0.170 -8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.081 1.867 -9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.990 2.405 -8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.949 3.809 -8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.908 2.997 -7.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.965 2.476 -8.284 1.00 0.00 H new ATOM 224 N LYS A 13 2.644 -4.322 -7.038 1.00 0.00 N ATOM 225 CA LYS A 13 2.693 -5.701 -6.595 1.00 0.00 C ATOM 226 C LYS A 13 1.609 -6.527 -7.279 1.00 0.00 C ATOM 227 O LYS A 13 1.467 -7.719 -7.009 1.00 0.00 O ATOM 228 CB LYS A 13 2.608 -5.796 -5.063 1.00 0.00 C ATOM 229 CG LYS A 13 3.217 -7.135 -4.598 1.00 0.00 C ATOM 230 CD LYS A 13 4.222 -6.899 -3.454 1.00 0.00 C ATOM 231 CE LYS A 13 5.651 -7.117 -3.979 1.00 0.00 C ATOM 232 NZ LYS A 13 6.621 -6.440 -3.089 1.00 0.00 N ATOM 0 H LYS A 13 2.252 -3.673 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 13 3.656 -6.120 -6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.142 -4.963 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.569 -5.725 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.425 -7.805 -4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.716 -7.625 -5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.116 -5.886 -3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.018 -7.581 -2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.871 -8.183 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.739 -6.726 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.093 -5.673 -3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.121 -6.044 -2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.332 -7.126 -2.764 1.00 0.00 H new ATOM 246 N LYS A 14 0.833 -5.867 -8.148 1.00 0.00 N ATOM 247 CA LYS A 14 -0.253 -6.499 -8.896 1.00 0.00 C ATOM 248 C LYS A 14 -1.137 -7.359 -8.007 1.00 0.00 C ATOM 249 O LYS A 14 -1.321 -8.568 -8.245 1.00 0.00 O ATOM 250 CB LYS A 14 0.256 -7.255 -10.148 1.00 0.00 C ATOM 251 CG LYS A 14 1.079 -8.502 -9.775 1.00 0.00 C ATOM 252 CD LYS A 14 2.563 -8.254 -10.085 1.00 0.00 C ATOM 253 CE LYS A 14 3.333 -9.582 -10.041 1.00 0.00 C ATOM 254 NZ LYS A 14 3.003 -10.314 -8.792 1.00 0.00 N ATOM 0 H LYS A 14 0.944 -4.874 -8.351 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.887 -5.694 -9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.594 -7.552 -10.762 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.867 -6.585 -10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.952 -8.731 -8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.720 -9.367 -10.333 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.667 -7.795 -11.068 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.983 -7.555 -9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.077 -10.190 -10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.405 -9.393 -10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.708 -11.061 -8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.010 -9.652 -7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.059 -10.742 -8.880 1.00 0.00 H new ATOM 268 N ILE A 15 -1.670 -6.739 -6.974 1.00 0.00 N ATOM 269 CA ILE A 15 -2.520 -7.424 -6.026 1.00 0.00 C ATOM 270 C ILE A 15 -3.862 -6.738 -5.862 1.00 0.00 C ATOM 271 O ILE A 15 -3.982 -5.520 -6.049 1.00 0.00 O ATOM 272 CB ILE A 15 -1.798 -7.570 -4.680 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.321 -6.198 -4.165 1.00 0.00 C ATOM 274 CG2 ILE A 15 -0.594 -8.508 -4.833 1.00 0.00 C ATOM 275 CD1 ILE A 15 -0.787 -6.366 -2.747 1.00 0.00 C ATOM 0 H ILE A 15 -1.526 -5.750 -6.770 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.727 -8.419 -6.421 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.499 -7.990 -3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.543 -5.799 -4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.144 -5.483 -4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.086 -8.607 -3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.936 -9.488 -5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.097 -8.096 -5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.446 -5.402 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.579 -6.748 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.046 -7.069 -2.753 1.00 0.00 H new ATOM 287 N SER A 16 -4.865 -7.524 -5.522 1.00 0.00 N ATOM 288 CA SER A 16 -6.200 -7.014 -5.298 1.00 0.00 C ATOM 289 C SER A 16 -6.309 -6.464 -3.895 1.00 0.00 C ATOM 290 O SER A 16 -5.644 -6.949 -2.978 1.00 0.00 O ATOM 291 CB SER A 16 -7.243 -8.116 -5.522 1.00 0.00 C ATOM 292 OG SER A 16 -8.482 -7.735 -4.929 1.00 0.00 O ATOM 0 H SER A 16 -4.776 -8.532 -5.394 1.00 0.00 H new ATOM 0 HA SER A 16 -6.394 -6.212 -6.010 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.378 -8.290 -6.589 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.894 -9.053 -5.088 1.00 0.00 H new ATOM 0 HG SER A 16 -8.793 -8.449 -4.334 1.00 0.00 H new ATOM 298 N GLN A 17 -7.203 -5.519 -3.704 1.00 0.00 N ATOM 299 CA GLN A 17 -7.423 -4.975 -2.382 1.00 0.00 C ATOM 300 C GLN A 17 -7.984 -6.067 -1.489 1.00 0.00 C ATOM 301 O GLN A 17 -7.759 -6.084 -0.272 1.00 0.00 O ATOM 302 CB GLN A 17 -8.376 -3.775 -2.436 1.00 0.00 C ATOM 303 CG GLN A 17 -8.003 -2.856 -3.616 1.00 0.00 C ATOM 304 CD GLN A 17 -6.507 -2.531 -3.619 1.00 0.00 C ATOM 305 OE1 GLN A 17 -5.842 -2.638 -2.589 1.00 0.00 O ATOM 306 NE2 GLN A 17 -5.939 -2.139 -4.714 1.00 0.00 N ATOM 0 H GLN A 17 -7.784 -5.115 -4.439 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.476 -4.622 -1.974 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.404 -4.121 -2.545 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.325 -3.218 -1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.274 -3.339 -4.555 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.578 -1.932 -3.555 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.488 -2.049 -5.569 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.943 -1.920 -4.722 1.00 0.00 H new ATOM 315 N SER A 18 -8.684 -7.003 -2.106 1.00 0.00 N ATOM 316 CA SER A 18 -9.230 -8.141 -1.397 1.00 0.00 C ATOM 317 C SER A 18 -8.103 -8.961 -0.795 1.00 0.00 C ATOM 318 O SER A 18 -8.208 -9.462 0.324 1.00 0.00 O ATOM 319 CB SER A 18 -10.029 -9.006 -2.368 1.00 0.00 C ATOM 320 OG SER A 18 -9.190 -9.380 -3.460 1.00 0.00 O ATOM 0 H SER A 18 -8.887 -6.994 -3.105 1.00 0.00 H new ATOM 0 HA SER A 18 -9.883 -7.790 -0.598 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.403 -9.895 -1.860 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.898 -8.458 -2.732 1.00 0.00 H new ATOM 0 HG SER A 18 -9.698 -9.937 -4.087 1.00 0.00 H new ATOM 326 N GLU A 19 -7.023 -9.081 -1.544 1.00 0.00 N ATOM 327 CA GLU A 19 -5.879 -9.860 -1.122 1.00 0.00 C ATOM 328 C GLU A 19 -5.258 -9.239 0.120 1.00 0.00 C ATOM 329 O GLU A 19 -4.952 -9.937 1.087 1.00 0.00 O ATOM 330 CB GLU A 19 -4.861 -9.917 -2.262 1.00 0.00 C ATOM 331 CG GLU A 19 -5.456 -10.733 -3.426 1.00 0.00 C ATOM 332 CD GLU A 19 -4.555 -10.695 -4.649 1.00 0.00 C ATOM 333 OE1 GLU A 19 -3.473 -10.157 -4.559 1.00 0.00 O ATOM 334 OE2 GLU A 19 -4.962 -11.199 -5.666 1.00 0.00 O ATOM 0 H GLU A 19 -6.916 -8.642 -2.459 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.195 -10.874 -0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.614 -8.910 -2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.934 -10.375 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.601 -11.766 -3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.439 -10.338 -3.684 1.00 0.00 H new ATOM 341 N LEU A 20 -5.162 -7.914 0.134 1.00 0.00 N ATOM 342 CA LEU A 20 -4.657 -7.219 1.312 1.00 0.00 C ATOM 343 C LEU A 20 -5.589 -7.485 2.479 1.00 0.00 C ATOM 344 O LEU A 20 -5.157 -7.792 3.589 1.00 0.00 O ATOM 345 CB LEU A 20 -4.607 -5.707 1.064 1.00 0.00 C ATOM 346 CG LEU A 20 -3.363 -5.342 0.249 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.562 -5.777 -1.203 1.00 0.00 C ATOM 348 CD2 LEU A 20 -3.160 -3.828 0.297 1.00 0.00 C ATOM 0 H LEU A 20 -5.423 -7.308 -0.644 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.652 -7.581 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.504 -5.389 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.595 -5.176 2.016 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.491 -5.846 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.677 -5.518 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.719 -6.855 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.432 -5.269 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.276 -3.561 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.033 -3.330 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.026 -3.511 1.331 1.00 0.00 H new ATOM 360 N ALA A 21 -6.879 -7.400 2.203 1.00 0.00 N ATOM 361 CA ALA A 21 -7.892 -7.656 3.208 1.00 0.00 C ATOM 362 C ALA A 21 -7.859 -9.107 3.639 1.00 0.00 C ATOM 363 O ALA A 21 -8.125 -9.423 4.802 1.00 0.00 O ATOM 364 CB ALA A 21 -9.280 -7.296 2.687 1.00 0.00 C ATOM 0 H ALA A 21 -7.249 -7.154 1.285 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.674 -7.028 4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.022 -7.497 3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.307 -6.238 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.504 -7.895 1.804 1.00 0.00 H new ATOM 370 N ALA A 22 -7.579 -9.990 2.687 1.00 0.00 N ATOM 371 CA ALA A 22 -7.579 -11.424 2.942 1.00 0.00 C ATOM 372 C ALA A 22 -6.678 -11.758 4.114 1.00 0.00 C ATOM 373 O ALA A 22 -6.921 -12.723 4.844 1.00 0.00 O ATOM 374 CB ALA A 22 -7.135 -12.195 1.698 1.00 0.00 C ATOM 0 H ALA A 22 -7.348 -9.735 1.727 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.597 -11.723 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.142 -13.264 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.819 -11.984 0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.127 -11.887 1.420 1.00 0.00 H new ATOM 380 N LEU A 23 -5.671 -10.932 4.335 1.00 0.00 N ATOM 381 CA LEU A 23 -4.821 -11.095 5.502 1.00 0.00 C ATOM 382 C LEU A 23 -5.630 -10.881 6.759 1.00 0.00 C ATOM 383 O LEU A 23 -5.316 -11.445 7.811 1.00 0.00 O ATOM 384 CB LEU A 23 -3.665 -10.095 5.513 1.00 0.00 C ATOM 385 CG LEU A 23 -2.665 -10.392 4.399 1.00 0.00 C ATOM 386 CD1 LEU A 23 -1.581 -9.312 4.421 1.00 0.00 C ATOM 387 CD2 LEU A 23 -2.025 -11.769 4.628 1.00 0.00 C ATOM 0 H LEU A 23 -5.423 -10.150 3.729 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.415 -12.106 5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.055 -9.084 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.159 -10.131 6.478 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.172 -10.396 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.856 -9.508 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.037 -8.335 4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.076 -9.323 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.312 -11.976 3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.508 -11.775 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.801 -12.535 4.629 1.00 0.00 H new ATOM 399 N LEU A 24 -6.523 -9.899 6.698 1.00 0.00 N ATOM 400 CA LEU A 24 -7.231 -9.452 7.877 1.00 0.00 C ATOM 401 C LEU A 24 -8.610 -10.096 7.973 1.00 0.00 C ATOM 402 O LEU A 24 -9.143 -10.247 9.064 1.00 0.00 O ATOM 403 CB LEU A 24 -7.424 -7.932 7.811 1.00 0.00 C ATOM 404 CG LEU A 24 -6.158 -7.228 7.282 1.00 0.00 C ATOM 405 CD1 LEU A 24 -6.391 -5.719 7.267 1.00 0.00 C ATOM 406 CD2 LEU A 24 -4.940 -7.546 8.158 1.00 0.00 C ATOM 0 H LEU A 24 -6.769 -9.402 5.842 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.640 -9.736 8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.270 -7.699 7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.667 -7.551 8.803 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.958 -7.590 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.499 -5.217 6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.236 -5.488 6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.605 -5.374 8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.063 -7.036 7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.126 -7.207 9.177 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.764 -8.622 8.160 1.00 0.00 H new ATOM 418 N GLU A 25 -9.211 -10.416 6.831 1.00 0.00 N ATOM 419 CA GLU A 25 -10.582 -10.945 6.818 1.00 0.00 C ATOM 420 C GLU A 25 -11.490 -10.164 7.783 1.00 0.00 C ATOM 421 O GLU A 25 -12.300 -10.750 8.515 1.00 0.00 O ATOM 422 CB GLU A 25 -10.603 -12.449 7.128 1.00 0.00 C ATOM 423 CG GLU A 25 -10.105 -13.230 5.900 1.00 0.00 C ATOM 424 CD GLU A 25 -11.110 -13.105 4.767 1.00 0.00 C ATOM 425 OE1 GLU A 25 -12.261 -13.411 4.989 1.00 0.00 O ATOM 426 OE2 GLU A 25 -10.722 -12.697 3.698 1.00 0.00 O ATOM 0 H GLU A 25 -8.782 -10.322 5.910 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.977 -10.811 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.971 -12.663 7.990 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.614 -12.764 7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.136 -12.846 5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.963 -14.279 6.158 1.00 0.00 H new ATOM 433 N VAL A 26 -11.341 -8.847 7.780 1.00 0.00 N ATOM 434 CA VAL A 26 -12.118 -7.966 8.649 1.00 0.00 C ATOM 435 C VAL A 26 -12.868 -6.917 7.831 1.00 0.00 C ATOM 436 O VAL A 26 -12.834 -6.936 6.594 1.00 0.00 O ATOM 437 CB VAL A 26 -11.209 -7.280 9.693 1.00 0.00 C ATOM 438 CG1 VAL A 26 -10.547 -8.334 10.590 1.00 0.00 C ATOM 439 CG2 VAL A 26 -10.123 -6.454 8.991 1.00 0.00 C ATOM 0 H VAL A 26 -10.680 -8.357 7.177 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.848 -8.579 9.177 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.823 -6.619 10.305 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.909 -7.840 11.322 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.317 -8.907 11.108 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.945 -9.006 9.978 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.490 -5.976 9.738 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.516 -7.108 8.365 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.591 -5.690 8.370 1.00 0.00 H new ATOM 449 N SER A 27 -13.501 -5.983 8.528 1.00 0.00 N ATOM 450 CA SER A 27 -14.234 -4.875 7.917 1.00 0.00 C ATOM 451 C SER A 27 -13.377 -4.147 6.871 1.00 0.00 C ATOM 452 O SER A 27 -13.867 -3.265 6.149 1.00 0.00 O ATOM 453 CB SER A 27 -14.652 -3.894 9.010 1.00 0.00 C ATOM 454 OG SER A 27 -14.460 -4.517 10.286 1.00 0.00 O ATOM 0 H SER A 27 -13.522 -5.971 9.548 1.00 0.00 H new ATOM 0 HA SER A 27 -15.112 -5.276 7.411 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.062 -2.980 8.943 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.696 -3.609 8.882 1.00 0.00 H new ATOM 0 HG SER A 27 -14.724 -3.896 10.996 1.00 0.00 H new ATOM 460 N ARG A 28 -12.079 -4.437 6.880 1.00 0.00 N ATOM 461 CA ARG A 28 -11.117 -3.715 6.066 1.00 0.00 C ATOM 462 C ARG A 28 -11.588 -3.617 4.621 1.00 0.00 C ATOM 463 O ARG A 28 -11.494 -2.556 4.006 1.00 0.00 O ATOM 464 CB ARG A 28 -9.738 -4.393 6.115 1.00 0.00 C ATOM 465 CG ARG A 28 -8.661 -3.305 6.106 1.00 0.00 C ATOM 466 CD ARG A 28 -8.519 -2.753 7.532 1.00 0.00 C ATOM 467 NE ARG A 28 -7.812 -1.483 7.531 1.00 0.00 N ATOM 468 CZ ARG A 28 -7.301 -0.971 8.650 1.00 0.00 C ATOM 469 NH1 ARG A 28 -7.410 -1.628 9.769 1.00 0.00 N ATOM 470 NH2 ARG A 28 -6.706 0.181 8.626 1.00 0.00 N ATOM 0 H ARG A 28 -11.670 -5.177 7.451 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.031 -2.709 6.476 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.649 -5.006 7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.612 -5.058 5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.711 -3.714 5.761 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.934 -2.507 5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.506 -2.623 7.976 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.983 -3.471 8.152 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.705 -0.973 6.654 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.885 -2.531 9.786 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.020 -1.240 10.628 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.629 0.697 7.749 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.315 0.571 9.484 1.00 0.00 H new ATOM 484 N GLN A 29 -12.144 -4.702 4.095 1.00 0.00 N ATOM 485 CA GLN A 29 -12.633 -4.681 2.718 1.00 0.00 C ATOM 486 C GLN A 29 -13.598 -3.521 2.557 1.00 0.00 C ATOM 487 O GLN A 29 -13.556 -2.789 1.565 1.00 0.00 O ATOM 488 CB GLN A 29 -13.394 -5.977 2.401 1.00 0.00 C ATOM 489 CG GLN A 29 -12.453 -7.179 2.404 1.00 0.00 C ATOM 490 CD GLN A 29 -13.274 -8.457 2.265 1.00 0.00 C ATOM 491 OE1 GLN A 29 -14.083 -8.768 3.143 1.00 0.00 O ATOM 492 NE2 GLN A 29 -13.130 -9.209 1.227 1.00 0.00 N ATOM 0 H GLN A 29 -12.267 -5.588 4.585 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.781 -4.581 2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.185 -6.128 3.136 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.876 -5.891 1.427 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.739 -7.100 1.584 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.875 -7.202 3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.461 -8.953 0.500 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.685 -10.060 1.133 1.00 0.00 H new ATOM 501 N THR A 30 -14.480 -3.379 3.524 1.00 0.00 N ATOM 502 CA THR A 30 -15.465 -2.320 3.514 1.00 0.00 C ATOM 503 C THR A 30 -14.818 -0.940 3.714 1.00 0.00 C ATOM 504 O THR A 30 -15.194 0.033 3.059 1.00 0.00 O ATOM 505 CB THR A 30 -16.514 -2.590 4.598 1.00 0.00 C ATOM 506 OG1 THR A 30 -16.918 -3.959 4.518 1.00 0.00 O ATOM 507 CG2 THR A 30 -17.741 -1.698 4.371 1.00 0.00 C ATOM 0 H THR A 30 -14.534 -3.993 4.337 1.00 0.00 H new ATOM 0 HA THR A 30 -15.948 -2.308 2.537 1.00 0.00 H new ATOM 0 HB THR A 30 -16.086 -2.375 5.577 1.00 0.00 H new ATOM 0 HG1 THR A 30 -17.588 -4.143 5.209 1.00 0.00 H new ATOM 0 HG21 THR A 30 -18.482 -1.895 5.145 1.00 0.00 H new ATOM 0 HG22 THR A 30 -17.442 -0.651 4.413 1.00 0.00 H new ATOM 0 HG23 THR A 30 -18.171 -1.913 3.393 1.00 0.00 H new ATOM 515 N ILE A 31 -13.931 -0.843 4.697 1.00 0.00 N ATOM 516 CA ILE A 31 -13.353 0.447 5.074 1.00 0.00 C ATOM 517 C ILE A 31 -12.159 0.852 4.213 1.00 0.00 C ATOM 518 O ILE A 31 -11.760 2.014 4.220 1.00 0.00 O ATOM 519 CB ILE A 31 -12.984 0.477 6.564 1.00 0.00 C ATOM 520 CG1 ILE A 31 -11.965 -0.617 6.870 1.00 0.00 C ATOM 521 CG2 ILE A 31 -14.242 0.236 7.404 1.00 0.00 C ATOM 522 CD1 ILE A 31 -11.436 -0.453 8.299 1.00 0.00 C ATOM 0 H ILE A 31 -13.596 -1.635 5.246 1.00 0.00 H new ATOM 0 HA ILE A 31 -14.131 1.188 4.889 1.00 0.00 H new ATOM 0 HB ILE A 31 -12.555 1.450 6.805 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -12.426 -1.598 6.754 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -11.140 -0.566 6.160 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -13.982 0.257 8.462 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -14.974 1.016 7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.666 -0.736 7.154 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -10.709 -1.237 8.510 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -10.958 0.521 8.400 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -12.264 -0.526 9.004 1.00 0.00 H new ATOM 534 N ASN A 32 -11.547 -0.094 3.517 1.00 0.00 N ATOM 535 CA ASN A 32 -10.341 0.238 2.763 1.00 0.00 C ATOM 536 C ASN A 32 -10.609 1.349 1.768 1.00 0.00 C ATOM 537 O ASN A 32 -9.790 2.241 1.599 1.00 0.00 O ATOM 538 CB ASN A 32 -9.717 -0.969 2.064 1.00 0.00 C ATOM 539 CG ASN A 32 -8.221 -0.711 1.869 1.00 0.00 C ATOM 540 OD1 ASN A 32 -7.726 -0.698 0.731 1.00 0.00 O ATOM 541 ND2 ASN A 32 -7.466 -0.492 2.909 1.00 0.00 N ATOM 0 H ASN A 32 -11.849 -1.066 3.456 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.613 0.586 3.496 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.870 -1.869 2.659 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.199 -1.138 1.101 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.470 -0.310 2.787 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.872 -0.502 3.845 1.00 0.00 H new ATOM 548 N GLY A 33 -11.790 1.349 1.174 1.00 0.00 N ATOM 549 CA GLY A 33 -12.162 2.442 0.279 1.00 0.00 C ATOM 550 C GLY A 33 -12.085 3.754 1.041 1.00 0.00 C ATOM 551 O GLY A 33 -11.455 4.716 0.585 1.00 0.00 O ATOM 0 H GLY A 33 -12.498 0.623 1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.494 2.467 -0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.171 2.288 -0.104 1.00 0.00 H new ATOM 555 N ILE A 34 -12.570 3.727 2.278 1.00 0.00 N ATOM 556 CA ILE A 34 -12.419 4.851 3.174 1.00 0.00 C ATOM 557 C ILE A 34 -10.942 5.075 3.465 1.00 0.00 C ATOM 558 O ILE A 34 -10.456 6.202 3.397 1.00 0.00 O ATOM 559 CB ILE A 34 -13.225 4.635 4.476 1.00 0.00 C ATOM 560 CG1 ILE A 34 -14.731 4.643 4.163 1.00 0.00 C ATOM 561 CG2 ILE A 34 -12.913 5.739 5.490 1.00 0.00 C ATOM 562 CD1 ILE A 34 -15.148 6.009 3.595 1.00 0.00 C ATOM 0 H ILE A 34 -13.071 2.933 2.677 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.819 5.744 2.695 1.00 0.00 H new ATOM 0 HB ILE A 34 -12.942 3.672 4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -14.965 3.856 3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -15.299 4.429 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -13.489 5.571 6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.849 5.726 5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.178 6.708 5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -16.216 6.002 3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.932 6.788 4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.592 6.207 2.678 1.00 0.00 H new ATOM 574 N GLU A 35 -10.209 3.990 3.713 1.00 0.00 N ATOM 575 CA GLU A 35 -8.779 4.110 3.959 1.00 0.00 C ATOM 576 C GLU A 35 -8.103 4.720 2.754 1.00 0.00 C ATOM 577 O GLU A 35 -7.178 5.509 2.888 1.00 0.00 O ATOM 578 CB GLU A 35 -8.129 2.755 4.217 1.00 0.00 C ATOM 579 CG GLU A 35 -8.619 2.148 5.523 1.00 0.00 C ATOM 580 CD GLU A 35 -7.792 0.924 5.807 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.751 1.080 6.404 1.00 0.00 O ATOM 582 OE2 GLU A 35 -8.183 -0.150 5.414 1.00 0.00 O ATOM 0 H GLU A 35 -10.575 3.039 3.748 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.659 4.738 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.353 2.079 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.046 2.869 4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.526 2.868 6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.674 1.886 5.449 1.00 0.00 H new ATOM 589 N LYS A 36 -8.522 4.292 1.583 1.00 0.00 N ATOM 590 CA LYS A 36 -7.933 4.761 0.349 1.00 0.00 C ATOM 591 C LYS A 36 -8.319 6.194 0.101 1.00 0.00 C ATOM 592 O LYS A 36 -7.495 7.011 -0.313 1.00 0.00 O ATOM 593 CB LYS A 36 -8.469 3.921 -0.804 1.00 0.00 C ATOM 594 CG LYS A 36 -7.850 2.526 -0.772 1.00 0.00 C ATOM 595 CD LYS A 36 -8.564 1.606 -1.783 1.00 0.00 C ATOM 596 CE LYS A 36 -8.649 2.272 -3.171 1.00 0.00 C ATOM 597 NZ LYS A 36 -7.331 2.237 -3.843 1.00 0.00 N ATOM 0 H LYS A 36 -9.275 3.615 1.460 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.848 4.679 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.554 3.847 -0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.242 4.406 -1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.788 2.585 -1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.929 2.107 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.028 0.660 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.567 1.375 -1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.390 1.758 -3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.983 3.304 -3.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.405 2.689 -4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.633 2.748 -3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.027 1.249 -3.960 1.00 0.00 H new ATOM 611 N ASN A 37 -9.591 6.472 0.258 1.00 0.00 N ATOM 612 CA ASN A 37 -10.101 7.800 -0.046 1.00 0.00 C ATOM 613 C ASN A 37 -9.874 8.777 1.099 1.00 0.00 C ATOM 614 O ASN A 37 -9.291 9.843 0.904 1.00 0.00 O ATOM 615 CB ASN A 37 -11.589 7.744 -0.386 1.00 0.00 C ATOM 616 CG ASN A 37 -12.020 9.070 -0.996 1.00 0.00 C ATOM 617 OD1 ASN A 37 -11.658 9.376 -2.132 1.00 0.00 O ATOM 618 ND2 ASN A 37 -12.759 9.878 -0.313 1.00 0.00 N ATOM 0 H ASN A 37 -10.291 5.809 0.591 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.545 8.161 -0.911 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.783 6.930 -1.084 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.171 7.539 0.513 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -13.044 10.771 -0.714 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -13.058 9.623 0.628 1.00 0.00 H new ATOM 625 N LYS A 38 -10.328 8.409 2.289 1.00 0.00 N ATOM 626 CA LYS A 38 -10.176 9.256 3.474 1.00 0.00 C ATOM 627 C LYS A 38 -8.750 9.305 3.986 1.00 0.00 C ATOM 628 O LYS A 38 -8.330 10.315 4.545 1.00 0.00 O ATOM 629 CB LYS A 38 -11.130 8.832 4.603 1.00 0.00 C ATOM 630 CG LYS A 38 -12.589 9.145 4.223 1.00 0.00 C ATOM 631 CD LYS A 38 -12.763 10.665 4.099 1.00 0.00 C ATOM 632 CE LYS A 38 -14.242 11.046 4.211 1.00 0.00 C ATOM 633 NZ LYS A 38 -15.024 10.344 3.163 1.00 0.00 N ATOM 0 H LYS A 38 -10.807 7.526 2.464 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.441 10.263 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.020 7.765 4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.868 9.354 5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.844 8.660 3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.267 8.750 4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.192 11.167 4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.365 11.006 3.143 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.621 10.782 5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.358 12.124 4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.961 10.786 3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.523 10.409 2.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.137 9.344 3.425 1.00 0.00 H new ATOM 647 N TYR A 39 -8.081 8.166 3.975 1.00 0.00 N ATOM 648 CA TYR A 39 -6.781 8.048 4.630 1.00 0.00 C ATOM 649 C TYR A 39 -5.642 7.849 3.647 1.00 0.00 C ATOM 650 O TYR A 39 -5.849 7.545 2.463 1.00 0.00 O ATOM 651 CB TYR A 39 -6.781 6.891 5.642 1.00 0.00 C ATOM 652 CG TYR A 39 -7.758 7.168 6.763 1.00 0.00 C ATOM 653 CD1 TYR A 39 -9.095 6.774 6.645 1.00 0.00 C ATOM 654 CD2 TYR A 39 -7.320 7.805 7.931 1.00 0.00 C ATOM 655 CE1 TYR A 39 -9.990 7.018 7.687 1.00 0.00 C ATOM 656 CE2 TYR A 39 -8.221 8.052 8.972 1.00 0.00 C ATOM 657 CZ TYR A 39 -9.557 7.654 8.849 1.00 0.00 C ATOM 658 OH TYR A 39 -10.446 7.885 9.875 1.00 0.00 O ATOM 0 H TYR A 39 -8.410 7.312 3.524 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.617 8.994 5.146 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.048 5.961 5.140 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.779 6.757 6.050 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -9.435 6.280 5.746 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.287 8.105 8.028 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -11.022 6.713 7.593 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.886 8.550 9.870 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.984 8.336 10.613 1.00 0.00 H new ATOM 668 N ASN A 40 -4.443 7.896 4.187 1.00 0.00 N ATOM 669 CA ASN A 40 -3.227 7.546 3.476 1.00 0.00 C ATOM 670 C ASN A 40 -2.766 6.199 4.025 1.00 0.00 C ATOM 671 O ASN A 40 -3.103 5.865 5.161 1.00 0.00 O ATOM 672 CB ASN A 40 -2.151 8.639 3.711 1.00 0.00 C ATOM 673 CG ASN A 40 -0.841 8.047 4.247 1.00 0.00 C ATOM 674 OD1 ASN A 40 0.212 8.203 3.626 1.00 0.00 O ATOM 675 ND2 ASN A 40 -0.840 7.388 5.364 1.00 0.00 N ATOM 0 H ASN A 40 -4.281 8.184 5.152 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.396 7.479 2.401 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.956 9.164 2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.531 9.377 4.417 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.031 7.000 5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.710 7.257 5.880 1.00 0.00 H new ATOM 682 N PRO A 41 -2.068 5.397 3.262 1.00 0.00 N ATOM 683 CA PRO A 41 -1.631 4.082 3.790 1.00 0.00 C ATOM 684 C PRO A 41 -0.823 4.242 5.079 1.00 0.00 C ATOM 685 O PRO A 41 0.148 5.003 5.128 1.00 0.00 O ATOM 686 CB PRO A 41 -0.764 3.551 2.661 1.00 0.00 C ATOM 687 CG PRO A 41 -1.426 4.060 1.412 1.00 0.00 C ATOM 688 CD PRO A 41 -2.161 5.360 1.791 1.00 0.00 C ATOM 0 HA PRO A 41 -2.458 3.422 4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.261 3.912 2.743 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.720 2.462 2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.687 4.248 0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.125 3.322 1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.691 6.233 1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.198 5.346 1.455 1.00 0.00 H new ATOM 696 N SER A 42 -1.215 3.506 6.102 1.00 0.00 N ATOM 697 CA SER A 42 -0.545 3.565 7.383 1.00 0.00 C ATOM 698 C SER A 42 0.409 2.391 7.526 1.00 0.00 C ATOM 699 O SER A 42 0.049 1.249 7.213 1.00 0.00 O ATOM 700 CB SER A 42 -1.586 3.538 8.500 1.00 0.00 C ATOM 701 OG SER A 42 -2.766 4.213 8.051 1.00 0.00 O ATOM 0 H SER A 42 -2.000 2.856 6.067 1.00 0.00 H new ATOM 0 HA SER A 42 0.030 4.489 7.450 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.821 2.509 8.772 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.192 4.022 9.394 1.00 0.00 H new ATOM 0 HG SER A 42 -3.441 4.199 8.761 1.00 0.00 H new ATOM 707 N LEU A 43 1.601 2.653 8.039 1.00 0.00 N ATOM 708 CA LEU A 43 2.598 1.610 8.201 1.00 0.00 C ATOM 709 C LEU A 43 2.103 0.535 9.141 1.00 0.00 C ATOM 710 O LEU A 43 2.288 -0.648 8.882 1.00 0.00 O ATOM 711 CB LEU A 43 3.921 2.186 8.718 1.00 0.00 C ATOM 712 CG LEU A 43 4.578 3.053 7.634 1.00 0.00 C ATOM 713 CD1 LEU A 43 5.804 3.750 8.214 1.00 0.00 C ATOM 714 CD2 LEU A 43 5.009 2.177 6.449 1.00 0.00 C ATOM 0 H LEU A 43 1.900 3.578 8.349 1.00 0.00 H new ATOM 0 HA LEU A 43 2.773 1.167 7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.742 2.782 9.613 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.592 1.376 9.004 1.00 0.00 H new ATOM 0 HG LEU A 43 3.858 3.796 7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.271 4.365 7.445 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.502 4.381 9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.517 3.002 8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.474 2.801 5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.724 1.429 6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.136 1.679 6.028 1.00 0.00 H new ATOM 726 N GLN A 44 1.445 0.944 10.217 1.00 0.00 N ATOM 727 CA GLN A 44 0.924 -0.016 11.184 1.00 0.00 C ATOM 728 C GLN A 44 0.283 -1.183 10.451 1.00 0.00 C ATOM 729 O GLN A 44 0.770 -2.320 10.509 1.00 0.00 O ATOM 730 CB GLN A 44 -0.123 0.644 12.086 1.00 0.00 C ATOM 731 CG GLN A 44 0.524 1.726 12.952 1.00 0.00 C ATOM 732 CD GLN A 44 -0.545 2.388 13.802 1.00 0.00 C ATOM 733 OE1 GLN A 44 -1.433 3.056 13.268 1.00 0.00 O ATOM 734 NE2 GLN A 44 -0.532 2.229 15.085 1.00 0.00 N ATOM 0 H GLN A 44 1.260 1.922 10.442 1.00 0.00 H new ATOM 0 HA GLN A 44 1.751 -0.371 11.799 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.913 1.082 11.476 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.590 -0.108 12.722 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.293 1.288 13.589 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.016 2.467 12.322 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.204 1.676 15.523 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.258 2.657 15.659 1.00 0.00 H new ATOM 743 N LEU A 45 -0.772 -0.886 9.711 1.00 0.00 N ATOM 744 CA LEU A 45 -1.417 -1.886 8.886 1.00 0.00 C ATOM 745 C LEU A 45 -0.476 -2.354 7.774 1.00 0.00 C ATOM 746 O LEU A 45 -0.411 -3.544 7.458 1.00 0.00 O ATOM 747 CB LEU A 45 -2.741 -1.359 8.303 1.00 0.00 C ATOM 748 CG LEU A 45 -3.399 -2.443 7.427 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.633 -3.713 8.250 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.745 -1.937 6.891 1.00 0.00 C ATOM 0 H LEU A 45 -1.198 0.040 9.667 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.653 -2.743 9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.415 -1.073 9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.556 -0.463 7.710 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.734 -2.668 6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.098 -4.473 7.622 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.679 -4.085 8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.288 -3.486 9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.204 -2.709 6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.404 -1.702 7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.584 -1.040 6.292 1.00 0.00 H new ATOM 762 N ALA A 46 0.222 -1.403 7.146 1.00 0.00 N ATOM 763 CA ALA A 46 1.082 -1.728 6.011 1.00 0.00 C ATOM 764 C ALA A 46 2.094 -2.792 6.372 1.00 0.00 C ATOM 765 O ALA A 46 2.327 -3.701 5.596 1.00 0.00 O ATOM 766 CB ALA A 46 1.809 -0.489 5.470 1.00 0.00 C ATOM 0 H ALA A 46 0.208 -0.416 7.402 1.00 0.00 H new ATOM 0 HA ALA A 46 0.428 -2.113 5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.438 -0.775 4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.076 0.249 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.430 -0.059 6.256 1.00 0.00 H new ATOM 772 N LEU A 47 2.685 -2.692 7.552 1.00 0.00 N ATOM 773 CA LEU A 47 3.664 -3.689 7.972 1.00 0.00 C ATOM 774 C LEU A 47 3.020 -5.063 8.069 1.00 0.00 C ATOM 775 O LEU A 47 3.577 -6.051 7.583 1.00 0.00 O ATOM 776 CB LEU A 47 4.322 -3.301 9.309 1.00 0.00 C ATOM 777 CG LEU A 47 5.520 -2.340 9.082 1.00 0.00 C ATOM 778 CD1 LEU A 47 6.762 -3.136 8.670 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.199 -1.301 7.998 1.00 0.00 C ATOM 0 H LEU A 47 2.511 -1.947 8.226 1.00 0.00 H new ATOM 0 HA LEU A 47 4.448 -3.726 7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.586 -2.823 9.956 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.664 -4.199 9.824 1.00 0.00 H new ATOM 0 HG LEU A 47 5.712 -1.818 10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.597 -2.453 8.513 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.017 -3.846 9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.558 -3.677 7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.056 -0.642 7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.979 -1.810 7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.334 -0.712 8.303 1.00 0.00 H new ATOM 791 N LYS A 48 1.819 -5.123 8.630 1.00 0.00 N ATOM 792 CA LYS A 48 1.089 -6.383 8.673 1.00 0.00 C ATOM 793 C LYS A 48 0.722 -6.821 7.265 1.00 0.00 C ATOM 794 O LYS A 48 0.924 -7.971 6.884 1.00 0.00 O ATOM 795 CB LYS A 48 -0.174 -6.251 9.528 1.00 0.00 C ATOM 796 CG LYS A 48 0.219 -6.075 10.999 1.00 0.00 C ATOM 797 CD LYS A 48 -1.046 -5.950 11.860 1.00 0.00 C ATOM 798 CE LYS A 48 -0.652 -5.736 13.326 1.00 0.00 C ATOM 799 NZ LYS A 48 0.210 -6.862 13.784 1.00 0.00 N ATOM 0 H LYS A 48 1.337 -4.330 9.054 1.00 0.00 H new ATOM 0 HA LYS A 48 1.733 -7.137 9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.764 -5.398 9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.799 -7.136 9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.814 -6.926 11.331 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.840 -5.187 11.116 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.654 -5.116 11.511 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.654 -6.850 11.764 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.121 -4.791 13.435 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.545 -5.673 13.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.199 -6.907 14.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.151 -7.756 13.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.185 -6.709 13.455 1.00 0.00 H new ATOM 813 N ILE A 49 0.256 -5.873 6.474 1.00 0.00 N ATOM 814 CA ILE A 49 -0.086 -6.137 5.086 1.00 0.00 C ATOM 815 C ILE A 49 1.161 -6.520 4.295 1.00 0.00 C ATOM 816 O ILE A 49 1.126 -7.425 3.450 1.00 0.00 O ATOM 817 CB ILE A 49 -0.812 -4.938 4.456 1.00 0.00 C ATOM 818 CG1 ILE A 49 -2.177 -4.749 5.145 1.00 0.00 C ATOM 819 CG2 ILE A 49 -1.044 -5.201 2.967 1.00 0.00 C ATOM 820 CD1 ILE A 49 -3.058 -5.993 4.955 1.00 0.00 C ATOM 0 H ILE A 49 0.105 -4.908 6.769 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.775 -6.981 5.055 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.202 -4.043 4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.030 -4.560 6.208 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.680 -3.874 4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.559 -4.349 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.085 -5.345 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.654 -6.097 2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.017 -5.839 5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.221 -6.164 3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.561 -6.860 5.390 1.00 0.00 H new ATOM 832 N ALA A 50 2.251 -5.804 4.548 1.00 0.00 N ATOM 833 CA ALA A 50 3.523 -6.043 3.878 1.00 0.00 C ATOM 834 C ALA A 50 3.863 -7.516 3.904 1.00 0.00 C ATOM 835 O ALA A 50 4.602 -8.004 3.051 1.00 0.00 O ATOM 836 CB ALA A 50 4.640 -5.241 4.548 1.00 0.00 C ATOM 0 H ALA A 50 2.277 -5.041 5.224 1.00 0.00 H new ATOM 0 HA ALA A 50 3.430 -5.719 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.583 -5.431 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.406 -4.178 4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.728 -5.542 5.592 1.00 0.00 H new ATOM 842 N TYR A 51 3.263 -8.243 4.838 1.00 0.00 N ATOM 843 CA TYR A 51 3.417 -9.679 4.851 1.00 0.00 C ATOM 844 C TYR A 51 2.869 -10.271 3.562 1.00 0.00 C ATOM 845 O TYR A 51 3.599 -10.942 2.830 1.00 0.00 O ATOM 846 CB TYR A 51 2.721 -10.289 6.076 1.00 0.00 C ATOM 847 CG TYR A 51 2.666 -11.792 5.942 1.00 0.00 C ATOM 848 CD1 TYR A 51 3.842 -12.551 5.894 1.00 0.00 C ATOM 849 CD2 TYR A 51 1.426 -12.424 5.843 1.00 0.00 C ATOM 850 CE1 TYR A 51 3.766 -13.942 5.752 1.00 0.00 C ATOM 851 CE2 TYR A 51 1.349 -13.804 5.702 1.00 0.00 C ATOM 852 CZ TYR A 51 2.517 -14.567 5.656 1.00 0.00 C ATOM 853 OH TYR A 51 2.435 -15.936 5.522 1.00 0.00 O ATOM 0 H TYR A 51 2.676 -7.864 5.581 1.00 0.00 H new ATOM 0 HA TYR A 51 4.478 -9.918 4.919 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.259 -10.016 6.984 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.712 -9.887 6.170 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.804 -12.065 5.966 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.520 -11.837 5.876 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.670 -14.532 5.717 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.386 -14.286 5.628 1.00 0.00 H new ATOM 0 HH TYR A 51 1.494 -16.204 5.470 1.00 0.00 H new ATOM 863 N TYR A 52 1.640 -9.899 3.202 1.00 0.00 N ATOM 864 CA TYR A 52 1.114 -10.281 1.899 1.00 0.00 C ATOM 865 C TYR A 52 1.853 -9.525 0.819 1.00 0.00 C ATOM 866 O TYR A 52 2.341 -10.104 -0.149 1.00 0.00 O ATOM 867 CB TYR A 52 -0.391 -10.029 1.772 1.00 0.00 C ATOM 868 CG TYR A 52 -0.831 -10.469 0.398 1.00 0.00 C ATOM 869 CD1 TYR A 52 -1.050 -11.826 0.148 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.998 -9.533 -0.626 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.432 -12.249 -1.122 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.386 -9.959 -1.898 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.600 -11.318 -2.146 1.00 0.00 C ATOM 874 OH TYR A 52 -1.967 -11.743 -3.409 1.00 0.00 O ATOM 0 H TYR A 52 1.007 -9.347 3.781 1.00 0.00 H new ATOM 0 HA TYR A 52 1.268 -11.354 1.786 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.934 -10.580 2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.613 -8.972 1.921 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.923 -12.548 0.941 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.828 -8.484 -0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.598 -13.299 -1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.521 -9.238 -2.691 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.173 -10.965 -3.969 1.00 0.00 H new ATOM 884 N LEU A 53 1.995 -8.224 1.031 1.00 0.00 N ATOM 885 CA LEU A 53 2.741 -7.383 0.114 1.00 0.00 C ATOM 886 C LEU A 53 4.217 -7.680 0.254 1.00 0.00 C ATOM 887 O LEU A 53 4.970 -6.856 0.772 1.00 0.00 O ATOM 888 CB LEU A 53 2.478 -5.888 0.410 1.00 0.00 C ATOM 889 CG LEU A 53 1.377 -5.336 -0.507 1.00 0.00 C ATOM 890 CD1 LEU A 53 0.799 -4.054 0.103 1.00 0.00 C ATOM 891 CD2 LEU A 53 1.980 -5.002 -1.878 1.00 0.00 C ATOM 0 H LEU A 53 1.602 -7.730 1.832 1.00 0.00 H new ATOM 0 HA LEU A 53 2.416 -7.595 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.185 -5.765 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.396 -5.318 0.268 1.00 0.00 H new ATOM 0 HG LEU A 53 0.590 -6.082 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.017 -3.662 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.378 -4.275 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.590 -3.312 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.201 -4.610 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.764 -4.254 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.404 -5.904 -2.319 1.00 0.00 H new ATOM 903 N ASN A 54 4.624 -8.871 -0.193 1.00 0.00 N ATOM 904 CA ASN A 54 6.018 -9.311 -0.088 1.00 0.00 C ATOM 905 C ASN A 54 6.964 -8.224 -0.561 1.00 0.00 C ATOM 906 O ASN A 54 7.354 -8.189 -1.728 1.00 0.00 O ATOM 907 CB ASN A 54 6.250 -10.602 -0.890 1.00 0.00 C ATOM 908 CG ASN A 54 6.039 -11.822 0.001 1.00 0.00 C ATOM 909 OD1 ASN A 54 5.206 -12.680 -0.302 1.00 0.00 O ATOM 910 ND2 ASN A 54 6.738 -11.960 1.087 1.00 0.00 N ATOM 0 H ASN A 54 4.004 -9.551 -0.633 1.00 0.00 H new ATOM 0 HA ASN A 54 6.223 -9.517 0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.566 -10.640 -1.738 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.262 -10.610 -1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.597 -12.775 1.684 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.428 -11.254 1.342 1.00 0.00 H new ATOM 917 N THR A 55 7.233 -7.290 0.318 1.00 0.00 N ATOM 918 CA THR A 55 8.028 -6.118 0.021 1.00 0.00 C ATOM 919 C THR A 55 8.724 -5.668 1.303 1.00 0.00 C ATOM 920 O THR A 55 8.089 -5.603 2.361 1.00 0.00 O ATOM 921 CB THR A 55 7.092 -4.997 -0.481 1.00 0.00 C ATOM 922 OG1 THR A 55 5.921 -5.576 -1.048 1.00 0.00 O ATOM 923 CG2 THR A 55 7.788 -4.129 -1.530 1.00 0.00 C ATOM 0 H THR A 55 6.899 -7.322 1.281 1.00 0.00 H new ATOM 0 HA THR A 55 8.771 -6.342 -0.744 1.00 0.00 H new ATOM 0 HB THR A 55 6.825 -4.366 0.367 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.212 -5.609 -0.372 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.106 -3.348 -1.866 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.676 -3.672 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.078 -4.747 -2.379 1.00 0.00 H new ATOM 931 N PRO A 56 9.988 -5.345 1.240 1.00 0.00 N ATOM 932 CA PRO A 56 10.729 -4.882 2.448 1.00 0.00 C ATOM 933 C PRO A 56 10.257 -3.490 2.863 1.00 0.00 C ATOM 934 O PRO A 56 10.638 -2.971 3.913 1.00 0.00 O ATOM 935 CB PRO A 56 12.186 -4.870 1.996 1.00 0.00 C ATOM 936 CG PRO A 56 12.123 -4.598 0.529 1.00 0.00 C ATOM 937 CD PRO A 56 10.844 -5.277 0.027 1.00 0.00 C ATOM 0 HA PRO A 56 10.573 -5.518 3.320 1.00 0.00 H new ATOM 0 HB2 PRO A 56 12.757 -4.101 2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 56 12.673 -5.823 2.202 1.00 0.00 H new ATOM 0 HG2 PRO A 56 12.099 -3.526 0.332 1.00 0.00 H new ATOM 0 HG3 PRO A 56 13.001 -4.996 0.020 1.00 0.00 H new ATOM 0 HD2 PRO A 56 10.369 -4.701 -0.767 1.00 0.00 H new ATOM 0 HD3 PRO A 56 11.048 -6.269 -0.376 1.00 0.00 H new ATOM 945 N LEU A 57 9.493 -2.861 1.972 1.00 0.00 N ATOM 946 CA LEU A 57 8.986 -1.504 2.171 1.00 0.00 C ATOM 947 C LEU A 57 10.116 -0.497 2.162 1.00 0.00 C ATOM 948 O LEU A 57 9.968 0.617 2.649 1.00 0.00 O ATOM 949 CB LEU A 57 8.183 -1.385 3.478 1.00 0.00 C ATOM 950 CG LEU A 57 6.892 -2.214 3.393 1.00 0.00 C ATOM 951 CD1 LEU A 57 6.188 -2.202 4.754 1.00 0.00 C ATOM 952 CD2 LEU A 57 5.953 -1.616 2.337 1.00 0.00 C ATOM 0 H LEU A 57 9.207 -3.280 1.087 1.00 0.00 H new ATOM 0 HA LEU A 57 8.315 -1.286 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.789 -1.729 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.939 -0.340 3.668 1.00 0.00 H new ATOM 0 HG LEU A 57 7.144 -3.237 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.272 -2.790 4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.847 -2.632 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.944 -1.176 5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.041 -2.210 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.703 -0.591 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.447 -1.622 1.366 1.00 0.00 H new ATOM 964 N GLU A 58 11.217 -0.868 1.547 1.00 0.00 N ATOM 965 CA GLU A 58 12.367 0.009 1.439 1.00 0.00 C ATOM 966 C GLU A 58 12.023 1.239 0.623 1.00 0.00 C ATOM 967 O GLU A 58 12.522 2.337 0.894 1.00 0.00 O ATOM 968 CB GLU A 58 13.534 -0.738 0.793 1.00 0.00 C ATOM 969 CG GLU A 58 14.031 -1.812 1.760 1.00 0.00 C ATOM 970 CD GLU A 58 15.106 -2.656 1.114 1.00 0.00 C ATOM 971 OE1 GLU A 58 14.952 -3.012 -0.031 1.00 0.00 O ATOM 972 OE2 GLU A 58 16.075 -2.937 1.772 1.00 0.00 O ATOM 0 H GLU A 58 11.343 -1.781 1.109 1.00 0.00 H new ATOM 0 HA GLU A 58 12.657 0.327 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.217 -1.193 -0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.340 -0.044 0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.423 -1.343 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.199 -2.446 2.066 1.00 0.00 H new ATOM 979 N ASP A 59 11.204 1.051 -0.409 1.00 0.00 N ATOM 980 CA ASP A 59 10.829 2.160 -1.276 1.00 0.00 C ATOM 981 C ASP A 59 10.122 3.225 -0.468 1.00 0.00 C ATOM 982 O ASP A 59 10.587 4.363 -0.379 1.00 0.00 O ATOM 983 CB ASP A 59 9.892 1.670 -2.387 1.00 0.00 C ATOM 984 CG ASP A 59 9.525 2.819 -3.302 1.00 0.00 C ATOM 985 OD1 ASP A 59 10.399 3.305 -3.987 1.00 0.00 O ATOM 986 OD2 ASP A 59 8.372 3.195 -3.320 1.00 0.00 O ATOM 0 H ASP A 59 10.793 0.152 -0.662 1.00 0.00 H new ATOM 0 HA ASP A 59 11.733 2.575 -1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.377 0.879 -2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.990 1.241 -1.950 1.00 0.00 H new ATOM 991 N ILE A 60 9.073 2.819 0.225 1.00 0.00 N ATOM 992 CA ILE A 60 8.365 3.704 1.131 1.00 0.00 C ATOM 993 C ILE A 60 9.241 4.028 2.334 1.00 0.00 C ATOM 994 O ILE A 60 9.316 5.171 2.773 1.00 0.00 O ATOM 995 CB ILE A 60 7.039 3.067 1.583 1.00 0.00 C ATOM 996 CG1 ILE A 60 6.203 2.686 0.351 1.00 0.00 C ATOM 997 CG2 ILE A 60 6.244 4.065 2.436 1.00 0.00 C ATOM 998 CD1 ILE A 60 5.914 3.933 -0.489 1.00 0.00 C ATOM 0 H ILE A 60 8.691 1.875 0.176 1.00 0.00 H new ATOM 0 HA ILE A 60 8.135 4.631 0.606 1.00 0.00 H new ATOM 0 HB ILE A 60 7.258 2.176 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.738 1.949 -0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.267 2.223 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.307 3.607 2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.828 4.340 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.032 4.958 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.321 3.655 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.361 4.656 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.854 4.377 -0.816 1.00 0.00 H new