USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 848 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: B 35 ASN : amide:sc= -0.0122 X(o=-0.45,f=-0.68) USER MOD Set 1.2: B 37 ASN : amide:sc= -0.436 K(o=-0.45,f=-2.1) USER MOD Set 2.1: A 33 TYR OH : rot 2:sc= 0.219 USER MOD Set 2.2: B 11 THR OG1 : rot -177:sc= 0.204 USER MOD Set 3.1: B 8 ASN : amide:sc= 0.841 K(o=0.84,f=0) USER MOD Set 3.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 THR OG1 : rot 180:sc= 0.00458 USER MOD Set 4.2: B 33 TYR OH : rot 165:sc= 0 USER MOD Set 5.1: A 8 ASN : amide:sc= 0.777 K(o=0.78,f=0) USER MOD Set 5.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.02 (180deg=0.813) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= 0.912 (180deg=0.778) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 108:sc= 1.26 USER MOD Single : A 25 THR OG1 : rot -150:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= 0.242 (180deg=-0.00261) USER MOD Single : A 32 GLN : amide:sc= 0.0236 X(o=0.024,f=0) USER MOD Single : A 35 ASN : amide:sc=-0.000837 K(o=-0.00084,f=-0.81) USER MOD Single : A 37 ASN : amide:sc= -0.345 K(o=-0.34,f=-7.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -167:sc= 1.24 USER MOD Single : A 49 THR OG1 : rot -20:sc= 0.0023 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 66:sc= 1.23 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 177:sc= 0 (180deg=-0.00602) USER MOD Single : B 1 MET N :NH3+ 136:sc= 0.589 (180deg=0.0721) USER MOD Single : B 2 GLN : amide:sc= 0.773 K(o=0.77,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 165:sc= 0.938 (180deg=0.784) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 161:sc= 1.11 (180deg=0.847) USER MOD Single : B 16 THR OG1 : rot -170:sc= -0.0416 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 57:sc= 1.22 USER MOD Single : B 25 THR OG1 : rot 80:sc= 1.2 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 173:sc= 1.82 (180deg=1.79) USER MOD Single : B 32 GLN : amide:sc= 0.324 X(o=0.32,f=-0.11) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot -152:sc= 1.25 USER MOD Single : B 49 THR OG1 : rot -39:sc= 0.147 USER MOD Single : B 50 LYS NZ :NH3+ 179:sc= 1.07 (180deg=1.06) USER MOD Single : B 51 THR OG1 : rot 58:sc= 0.919 USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.021 8.955 -17.337 1.00 0.00 N ATOM 2 CA MET A 1 -5.081 7.977 -16.976 1.00 0.00 C ATOM 3 C MET A 1 -4.916 7.514 -15.534 1.00 0.00 C ATOM 4 O MET A 1 -3.794 7.401 -15.041 1.00 0.00 O ATOM 5 CB MET A 1 -5.101 6.758 -17.919 1.00 0.00 C ATOM 6 CG MET A 1 -5.954 6.994 -19.170 1.00 0.00 C ATOM 7 SD MET A 1 -5.338 8.247 -20.332 1.00 0.00 S ATOM 8 CE MET A 1 -6.597 8.095 -21.629 1.00 0.00 C ATOM 0 H1 MET A 1 -3.977 9.053 -18.371 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.240 9.878 -16.910 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.103 8.619 -16.982 1.00 0.00 H new ATOM 0 HA MET A 1 -6.035 8.493 -17.084 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.081 6.519 -18.219 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.486 5.892 -17.380 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.049 6.048 -19.704 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.956 7.283 -18.853 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.378 8.797 -22.433 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.592 7.079 -22.023 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.579 8.317 -21.211 1.00 0.00 H new ATOM 20 N GLN A 2 -6.035 7.256 -14.853 1.00 0.00 N ATOM 21 CA GLN A 2 -6.059 6.661 -13.505 1.00 0.00 C ATOM 22 C GLN A 2 -5.976 5.124 -13.557 1.00 0.00 C ATOM 23 O GLN A 2 -6.693 4.477 -14.325 1.00 0.00 O ATOM 24 CB GLN A 2 -7.307 7.142 -12.749 1.00 0.00 C ATOM 25 CG GLN A 2 -7.296 6.736 -11.267 1.00 0.00 C ATOM 26 CD GLN A 2 -7.939 7.794 -10.402 1.00 0.00 C ATOM 27 OE1 GLN A 2 -9.133 7.775 -10.135 1.00 0.00 O ATOM 28 NE2 GLN A 2 -7.156 8.752 -9.949 1.00 0.00 N ATOM 0 H GLN A 2 -6.964 7.455 -15.223 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.175 6.996 -12.962 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.376 8.227 -12.824 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.197 6.732 -13.227 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.825 5.791 -11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.269 6.571 -10.941 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.163 8.752 -10.182 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.543 9.494 -9.366 1.00 0.00 H new ATOM 37 N TYR A 3 -5.087 4.553 -12.744 1.00 0.00 N ATOM 38 CA TYR A 3 -4.831 3.113 -12.591 1.00 0.00 C ATOM 39 C TYR A 3 -4.966 2.652 -11.127 1.00 0.00 C ATOM 40 O TYR A 3 -4.803 3.458 -10.205 1.00 0.00 O ATOM 41 CB TYR A 3 -3.427 2.797 -13.124 1.00 0.00 C ATOM 42 CG TYR A 3 -3.222 3.091 -14.602 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.768 4.358 -15.017 1.00 0.00 C ATOM 44 CD2 TYR A 3 -3.481 2.097 -15.565 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.581 4.631 -16.384 1.00 0.00 C ATOM 46 CE2 TYR A 3 -3.314 2.379 -16.934 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.868 3.647 -17.343 1.00 0.00 C ATOM 48 OH TYR A 3 -2.717 3.925 -18.667 1.00 0.00 O ATOM 0 H TYR A 3 -4.489 5.113 -12.137 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.581 2.568 -13.164 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.699 3.370 -12.550 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.215 1.743 -12.945 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.563 5.123 -14.283 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.808 1.116 -15.253 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.216 5.598 -16.696 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.529 1.619 -17.671 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.957 3.136 -19.196 1.00 0.00 H new ATOM 58 N LYS A 4 -5.189 1.355 -10.897 1.00 0.00 N ATOM 59 CA LYS A 4 -5.425 0.762 -9.566 1.00 0.00 C ATOM 60 C LYS A 4 -4.551 -0.489 -9.303 1.00 0.00 C ATOM 61 O LYS A 4 -4.197 -1.202 -10.239 1.00 0.00 O ATOM 62 CB LYS A 4 -6.929 0.430 -9.484 1.00 0.00 C ATOM 63 CG LYS A 4 -7.376 -0.063 -8.100 1.00 0.00 C ATOM 64 CD LYS A 4 -8.873 -0.380 -8.047 1.00 0.00 C ATOM 65 CE LYS A 4 -9.186 -0.872 -6.632 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.582 -1.318 -6.476 1.00 0.00 N ATOM 0 H LYS A 4 -5.212 0.665 -11.648 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.138 1.472 -8.790 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.503 1.318 -9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.165 -0.333 -10.226 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.809 -0.955 -7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.142 0.696 -7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.462 0.506 -8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.131 -1.141 -8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.517 -1.695 -6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.984 -0.071 -5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.678 -1.853 -5.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.210 -0.490 -6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.844 -1.926 -7.278 1.00 0.00 H new ATOM 80 N LEU A 5 -4.258 -0.790 -8.032 1.00 0.00 N ATOM 81 CA LEU A 5 -3.456 -1.927 -7.548 1.00 0.00 C ATOM 82 C LEU A 5 -4.190 -2.666 -6.409 1.00 0.00 C ATOM 83 O LEU A 5 -4.624 -2.041 -5.440 1.00 0.00 O ATOM 84 CB LEU A 5 -2.109 -1.358 -7.059 1.00 0.00 C ATOM 85 CG LEU A 5 -0.923 -2.292 -6.758 1.00 0.00 C ATOM 86 CD1 LEU A 5 -1.123 -3.226 -5.566 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.513 -3.126 -7.966 1.00 0.00 C ATOM 0 H LEU A 5 -4.595 -0.211 -7.263 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.295 -2.653 -8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.772 -0.643 -7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.311 -0.793 -6.149 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.126 -1.596 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.234 -3.843 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.291 -2.636 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.986 -3.867 -5.746 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.327 -3.766 -7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.353 -3.744 -8.284 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.220 -2.465 -8.782 1.00 0.00 H new ATOM 99 N ILE A 6 -4.296 -3.992 -6.504 1.00 0.00 N ATOM 100 CA ILE A 6 -4.893 -4.880 -5.487 1.00 0.00 C ATOM 101 C ILE A 6 -3.794 -5.748 -4.857 1.00 0.00 C ATOM 102 O ILE A 6 -3.059 -6.426 -5.575 1.00 0.00 O ATOM 103 CB ILE A 6 -5.986 -5.775 -6.122 1.00 0.00 C ATOM 104 CG1 ILE A 6 -7.026 -4.921 -6.884 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.646 -6.661 -5.042 1.00 0.00 C ATOM 106 CD1 ILE A 6 -8.094 -5.733 -7.625 1.00 0.00 C ATOM 0 H ILE A 6 -3.958 -4.503 -7.319 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.359 -4.271 -4.712 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.519 -6.435 -6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.520 -4.255 -6.176 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.503 -4.290 -7.603 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.412 -7.285 -5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.890 -7.296 -4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.102 -6.028 -4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.781 -5.055 -8.131 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.615 -6.379 -8.360 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.647 -6.344 -6.911 1.00 0.00 H new ATOM 118 N LEU A 7 -3.689 -5.754 -3.530 1.00 0.00 N ATOM 119 CA LEU A 7 -2.645 -6.445 -2.771 1.00 0.00 C ATOM 120 C LEU A 7 -3.222 -7.602 -1.932 1.00 0.00 C ATOM 121 O LEU A 7 -4.044 -7.404 -1.034 1.00 0.00 O ATOM 122 CB LEU A 7 -1.881 -5.414 -1.922 1.00 0.00 C ATOM 123 CG LEU A 7 -0.712 -6.017 -1.120 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.376 -6.629 -2.003 1.00 0.00 C ATOM 125 CD2 LEU A 7 -0.071 -4.927 -0.274 1.00 0.00 C ATOM 0 H LEU A 7 -4.351 -5.261 -2.931 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.941 -6.912 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.496 -4.632 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.577 -4.938 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.134 -6.815 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.169 -7.035 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.053 -7.428 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.789 -5.861 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.757 -5.348 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.301 -4.134 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.812 -4.516 0.412 1.00 0.00 H new ATOM 137 N ASN A 8 -2.737 -8.805 -2.233 1.00 0.00 N ATOM 138 CA ASN A 8 -3.065 -10.053 -1.548 1.00 0.00 C ATOM 139 C ASN A 8 -1.796 -10.686 -0.944 1.00 0.00 C ATOM 140 O ASN A 8 -0.808 -10.933 -1.638 1.00 0.00 O ATOM 141 CB ASN A 8 -3.778 -11.036 -2.493 1.00 0.00 C ATOM 142 CG ASN A 8 -4.811 -10.420 -3.417 1.00 0.00 C ATOM 143 OD1 ASN A 8 -6.001 -10.364 -3.129 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.359 -9.989 -4.571 1.00 0.00 N ATOM 0 H ASN A 8 -2.074 -8.942 -2.996 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.753 -9.823 -0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.026 -11.539 -3.101 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.266 -11.803 -1.891 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.004 -9.595 -5.256 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.363 -10.048 -4.783 1.00 0.00 H new ATOM 151 N GLY A 9 -1.845 -10.967 0.352 1.00 0.00 N ATOM 152 CA GLY A 9 -0.762 -11.590 1.123 1.00 0.00 C ATOM 153 C GLY A 9 -1.178 -12.061 2.521 1.00 0.00 C ATOM 154 O GLY A 9 -2.314 -11.850 2.953 1.00 0.00 O ATOM 0 H GLY A 9 -2.667 -10.762 0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.377 -12.443 0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.057 -10.877 1.220 1.00 0.00 H new ATOM 158 N LYS A 10 -0.263 -12.733 3.217 1.00 0.00 N ATOM 159 CA LYS A 10 -0.512 -13.376 4.516 1.00 0.00 C ATOM 160 C LYS A 10 -0.118 -12.486 5.712 1.00 0.00 C ATOM 161 O LYS A 10 -0.774 -12.523 6.757 1.00 0.00 O ATOM 162 CB LYS A 10 0.241 -14.716 4.571 1.00 0.00 C ATOM 163 CG LYS A 10 -0.262 -15.706 3.503 1.00 0.00 C ATOM 164 CD LYS A 10 0.352 -17.106 3.648 1.00 0.00 C ATOM 165 CE LYS A 10 1.860 -17.107 3.372 1.00 0.00 C ATOM 166 NZ LYS A 10 2.440 -18.460 3.492 1.00 0.00 N ATOM 0 H LYS A 10 0.696 -12.851 2.890 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.586 -13.544 4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.307 -14.539 4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.122 -15.158 5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.347 -15.782 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.029 -15.314 2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.168 -17.479 4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.142 -17.791 2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.046 -16.720 2.370 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.358 -16.435 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.461 -18.419 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.285 -18.820 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.983 -19.096 2.807 1.00 0.00 H new ATOM 180 N THR A 11 0.912 -11.651 5.560 1.00 0.00 N ATOM 181 CA THR A 11 1.276 -10.601 6.531 1.00 0.00 C ATOM 182 C THR A 11 0.358 -9.373 6.418 1.00 0.00 C ATOM 183 O THR A 11 -0.174 -8.890 7.423 1.00 0.00 O ATOM 184 CB THR A 11 2.731 -10.142 6.315 1.00 0.00 C ATOM 185 OG1 THR A 11 2.970 -9.822 4.961 1.00 0.00 O ATOM 186 CG2 THR A 11 3.739 -11.219 6.722 1.00 0.00 C ATOM 0 H THR A 11 1.530 -11.681 4.749 1.00 0.00 H new ATOM 0 HA THR A 11 1.162 -11.039 7.523 1.00 0.00 H new ATOM 0 HB THR A 11 2.863 -9.261 6.943 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.900 -9.532 4.853 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.751 -10.852 6.553 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.611 -11.457 7.778 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.574 -12.116 6.125 1.00 0.00 H new ATOM 194 N LEU A 12 0.138 -8.877 5.196 1.00 0.00 N ATOM 195 CA LEU A 12 -0.617 -7.653 4.904 1.00 0.00 C ATOM 196 C LEU A 12 -1.403 -7.757 3.575 1.00 0.00 C ATOM 197 O LEU A 12 -0.949 -8.377 2.611 1.00 0.00 O ATOM 198 CB LEU A 12 0.410 -6.497 4.935 1.00 0.00 C ATOM 199 CG LEU A 12 -0.120 -5.080 4.632 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.727 -4.035 5.357 1.00 0.00 C ATOM 201 CD2 LEU A 12 -0.044 -4.752 3.143 1.00 0.00 C ATOM 0 H LEU A 12 0.492 -9.332 4.354 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.395 -7.475 5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.873 -6.482 5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.198 -6.725 4.217 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.158 -5.058 4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.344 -3.039 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.681 -4.211 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.761 -4.109 5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.427 -3.746 2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.993 -4.807 2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.644 -5.468 2.582 1.00 0.00 H new ATOM 213 N LYS A 13 -2.572 -7.113 3.525 1.00 0.00 N ATOM 214 CA LYS A 13 -3.474 -7.010 2.361 1.00 0.00 C ATOM 215 C LYS A 13 -3.915 -5.547 2.145 1.00 0.00 C ATOM 216 O LYS A 13 -3.874 -4.757 3.089 1.00 0.00 O ATOM 217 CB LYS A 13 -4.726 -7.876 2.604 1.00 0.00 C ATOM 218 CG LYS A 13 -4.430 -9.380 2.724 1.00 0.00 C ATOM 219 CD LYS A 13 -5.673 -10.214 3.077 1.00 0.00 C ATOM 220 CE LYS A 13 -6.753 -10.164 1.987 1.00 0.00 C ATOM 221 NZ LYS A 13 -7.921 -10.999 2.335 1.00 0.00 N ATOM 0 H LYS A 13 -2.941 -6.620 4.338 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.940 -7.357 1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.218 -7.539 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.429 -7.718 1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.015 -9.739 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.668 -9.534 3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.375 -11.250 3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.093 -9.852 4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.074 -9.133 1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.331 -10.504 1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.629 -10.940 1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.619 -11.987 2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.339 -10.658 3.224 1.00 0.00 H new ATOM 235 N GLY A 14 -4.367 -5.161 0.948 1.00 0.00 N ATOM 236 CA GLY A 14 -4.809 -3.777 0.682 1.00 0.00 C ATOM 237 C GLY A 14 -5.196 -3.436 -0.764 1.00 0.00 C ATOM 238 O GLY A 14 -5.231 -4.305 -1.637 1.00 0.00 O ATOM 0 H GLY A 14 -4.439 -5.784 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.666 -3.566 1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.010 -3.101 0.987 1.00 0.00 H new ATOM 242 N GLU A 15 -5.481 -2.152 -1.012 1.00 0.00 N ATOM 243 CA GLU A 15 -5.837 -1.563 -2.326 1.00 0.00 C ATOM 244 C GLU A 15 -5.355 -0.114 -2.461 1.00 0.00 C ATOM 245 O GLU A 15 -5.568 0.700 -1.561 1.00 0.00 O ATOM 246 CB GLU A 15 -7.361 -1.546 -2.550 1.00 0.00 C ATOM 247 CG GLU A 15 -7.997 -2.928 -2.692 1.00 0.00 C ATOM 248 CD GLU A 15 -9.501 -2.786 -2.873 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.945 -2.560 -4.022 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.236 -2.902 -1.868 1.00 0.00 O ATOM 0 H GLU A 15 -5.471 -1.453 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.345 -2.196 -3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.832 -1.027 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.577 -0.967 -3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.566 -3.451 -3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.783 -3.530 -1.809 1.00 0.00 H new ATOM 257 N THR A 16 -4.730 0.207 -3.593 1.00 0.00 N ATOM 258 CA THR A 16 -4.186 1.553 -3.889 1.00 0.00 C ATOM 259 C THR A 16 -4.500 2.060 -5.308 1.00 0.00 C ATOM 260 O THR A 16 -4.887 1.297 -6.195 1.00 0.00 O ATOM 261 CB THR A 16 -2.667 1.658 -3.625 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.906 1.102 -4.663 1.00 0.00 O ATOM 263 CG2 THR A 16 -2.190 0.968 -2.348 1.00 0.00 C ATOM 0 H THR A 16 -4.580 -0.462 -4.348 1.00 0.00 H new ATOM 0 HA THR A 16 -4.710 2.203 -3.188 1.00 0.00 H new ATOM 0 HB THR A 16 -2.517 2.734 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.953 1.192 -4.454 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.112 1.095 -2.247 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.690 1.411 -1.487 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.427 -0.095 -2.398 1.00 0.00 H new ATOM 271 N THR A 17 -4.398 3.373 -5.527 1.00 0.00 N ATOM 272 CA THR A 17 -4.767 4.060 -6.782 1.00 0.00 C ATOM 273 C THR A 17 -3.855 5.269 -7.063 1.00 0.00 C ATOM 274 O THR A 17 -3.484 6.011 -6.144 1.00 0.00 O ATOM 275 CB THR A 17 -6.241 4.539 -6.745 1.00 0.00 C ATOM 276 OG1 THR A 17 -7.085 3.657 -6.032 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.868 4.675 -8.132 1.00 0.00 C ATOM 0 H THR A 17 -4.045 4.015 -4.817 1.00 0.00 H new ATOM 0 HA THR A 17 -4.641 3.331 -7.583 1.00 0.00 H new ATOM 0 HB THR A 17 -6.176 5.510 -6.254 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.001 4.005 -6.037 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.899 5.014 -8.033 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.302 5.400 -8.717 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.850 3.709 -8.636 1.00 0.00 H new ATOM 285 N THR A 18 -3.509 5.484 -8.338 1.00 0.00 N ATOM 286 CA THR A 18 -2.660 6.592 -8.832 1.00 0.00 C ATOM 287 C THR A 18 -3.109 7.066 -10.225 1.00 0.00 C ATOM 288 O THR A 18 -3.801 6.341 -10.940 1.00 0.00 O ATOM 289 CB THR A 18 -1.173 6.167 -8.898 1.00 0.00 C ATOM 290 OG1 THR A 18 -0.332 7.267 -9.158 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.862 5.119 -9.973 1.00 0.00 C ATOM 0 H THR A 18 -3.822 4.870 -9.090 1.00 0.00 H new ATOM 0 HA THR A 18 -2.770 7.414 -8.125 1.00 0.00 H new ATOM 0 HB THR A 18 -0.986 5.734 -7.916 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.174 7.491 -8.349 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.201 4.879 -9.950 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.442 4.217 -9.780 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.123 5.516 -10.954 1.00 0.00 H new ATOM 299 N GLU A 19 -2.689 8.264 -10.643 1.00 0.00 N ATOM 300 CA GLU A 19 -2.865 8.815 -12.004 1.00 0.00 C ATOM 301 C GLU A 19 -1.499 9.056 -12.643 1.00 0.00 C ATOM 302 O GLU A 19 -0.663 9.773 -12.090 1.00 0.00 O ATOM 303 CB GLU A 19 -3.718 10.092 -11.972 1.00 0.00 C ATOM 304 CG GLU A 19 -3.994 10.653 -13.365 1.00 0.00 C ATOM 305 CD GLU A 19 -4.922 11.856 -13.266 1.00 0.00 C ATOM 306 OE1 GLU A 19 -4.425 12.970 -12.986 1.00 0.00 O ATOM 307 OE2 GLU A 19 -6.141 11.685 -13.489 1.00 0.00 O ATOM 0 H GLU A 19 -2.197 8.907 -10.023 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.402 8.092 -12.617 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.665 9.879 -11.477 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.209 10.849 -11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.058 10.944 -13.841 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.446 9.885 -13.993 1.00 0.00 H new ATOM 314 N ALA A 20 -1.273 8.433 -13.797 1.00 0.00 N ATOM 315 CA ALA A 20 0.010 8.347 -14.476 1.00 0.00 C ATOM 316 C ALA A 20 -0.125 8.602 -15.984 1.00 0.00 C ATOM 317 O ALA A 20 -1.222 8.584 -16.554 1.00 0.00 O ATOM 318 CB ALA A 20 0.572 6.946 -14.216 1.00 0.00 C ATOM 0 H ALA A 20 -2.016 7.953 -14.305 1.00 0.00 H new ATOM 0 HA ALA A 20 0.682 9.114 -14.091 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.537 6.844 -14.712 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.697 6.797 -13.143 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.118 6.199 -14.608 1.00 0.00 H new ATOM 324 N VAL A 21 1.014 8.825 -16.636 1.00 0.00 N ATOM 325 CA VAL A 21 1.061 9.078 -18.085 1.00 0.00 C ATOM 326 C VAL A 21 0.705 7.829 -18.899 1.00 0.00 C ATOM 327 O VAL A 21 0.057 7.955 -19.942 1.00 0.00 O ATOM 328 CB VAL A 21 2.419 9.666 -18.508 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.571 8.763 -18.071 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.524 9.947 -20.012 1.00 0.00 C ATOM 0 H VAL A 21 1.928 8.837 -16.184 1.00 0.00 H new ATOM 0 HA VAL A 21 0.298 9.824 -18.306 1.00 0.00 H new ATOM 0 HB VAL A 21 2.492 10.626 -17.998 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.518 9.204 -18.383 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.560 8.658 -16.986 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.459 7.781 -18.531 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.507 10.360 -20.237 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.384 9.019 -20.566 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.755 10.662 -20.303 1.00 0.00 H new ATOM 340 N ASP A 22 1.044 6.614 -18.437 1.00 0.00 N ATOM 341 CA ASP A 22 0.700 5.334 -19.066 1.00 0.00 C ATOM 342 C ASP A 22 0.814 4.215 -18.007 1.00 0.00 C ATOM 343 O ASP A 22 1.376 4.414 -16.920 1.00 0.00 O ATOM 344 CB ASP A 22 1.675 5.048 -20.236 1.00 0.00 C ATOM 345 CG ASP A 22 1.042 4.292 -21.428 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.335 3.281 -21.207 1.00 0.00 O ATOM 347 OD2 ASP A 22 1.273 4.704 -22.591 1.00 0.00 O ATOM 0 H ASP A 22 1.586 6.495 -17.581 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.317 5.374 -19.456 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.079 5.994 -20.595 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.515 4.466 -19.858 1.00 0.00 H new ATOM 352 N ALA A 23 0.330 3.038 -18.373 1.00 0.00 N ATOM 353 CA ALA A 23 0.306 1.827 -17.548 1.00 0.00 C ATOM 354 C ALA A 23 1.697 1.457 -16.995 1.00 0.00 C ATOM 355 O ALA A 23 1.807 0.929 -15.893 1.00 0.00 O ATOM 356 CB ALA A 23 -0.298 0.676 -18.361 1.00 0.00 C ATOM 0 H ALA A 23 -0.077 2.888 -19.296 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.317 2.022 -16.675 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.318 -0.228 -17.752 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.314 0.935 -18.660 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.308 0.501 -19.250 1.00 0.00 H new ATOM 362 N ALA A 24 2.775 1.787 -17.713 1.00 0.00 N ATOM 363 CA ALA A 24 4.148 1.534 -17.322 1.00 0.00 C ATOM 364 C ALA A 24 4.627 2.493 -16.220 1.00 0.00 C ATOM 365 O ALA A 24 5.330 2.067 -15.309 1.00 0.00 O ATOM 366 CB ALA A 24 5.046 1.620 -18.562 1.00 0.00 C ATOM 0 H ALA A 24 2.702 2.256 -18.616 1.00 0.00 H new ATOM 0 HA ALA A 24 4.206 0.532 -16.898 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.081 1.431 -18.276 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.730 0.876 -19.293 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.967 2.615 -19.000 1.00 0.00 H new ATOM 372 N THR A 25 4.222 3.770 -16.230 1.00 0.00 N ATOM 373 CA THR A 25 4.474 4.691 -15.105 1.00 0.00 C ATOM 374 C THR A 25 3.610 4.344 -13.888 1.00 0.00 C ATOM 375 O THR A 25 4.131 4.300 -12.774 1.00 0.00 O ATOM 376 CB THR A 25 4.266 6.153 -15.518 1.00 0.00 C ATOM 377 OG1 THR A 25 5.175 6.484 -16.547 1.00 0.00 O ATOM 378 CG2 THR A 25 4.514 7.158 -14.390 1.00 0.00 C ATOM 0 H THR A 25 3.716 4.194 -17.007 1.00 0.00 H new ATOM 0 HA THR A 25 5.519 4.568 -14.820 1.00 0.00 H new ATOM 0 HB THR A 25 3.223 6.222 -15.826 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.397 7.437 -16.493 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.347 8.169 -14.760 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.830 6.956 -13.566 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.542 7.065 -14.040 1.00 0.00 H new ATOM 386 N ALA A 26 2.327 4.002 -14.064 1.00 0.00 N ATOM 387 CA ALA A 26 1.515 3.500 -12.942 1.00 0.00 C ATOM 388 C ALA A 26 2.089 2.210 -12.317 1.00 0.00 C ATOM 389 O ALA A 26 2.187 2.104 -11.093 1.00 0.00 O ATOM 390 CB ALA A 26 0.078 3.268 -13.401 1.00 0.00 C ATOM 0 H ALA A 26 1.834 4.061 -14.955 1.00 0.00 H new ATOM 0 HA ALA A 26 1.537 4.264 -12.165 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.515 2.897 -12.565 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.346 4.206 -13.759 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.068 2.535 -14.207 1.00 0.00 H new ATOM 396 N GLU A 27 2.570 1.295 -13.168 1.00 0.00 N ATOM 397 CA GLU A 27 3.339 0.103 -12.751 1.00 0.00 C ATOM 398 C GLU A 27 4.629 0.497 -12.044 1.00 0.00 C ATOM 399 O GLU A 27 4.956 -0.102 -11.023 1.00 0.00 O ATOM 400 CB GLU A 27 3.666 -0.844 -13.919 1.00 0.00 C ATOM 401 CG GLU A 27 4.238 -2.180 -13.432 1.00 0.00 C ATOM 402 CD GLU A 27 4.682 -3.032 -14.611 1.00 0.00 C ATOM 403 OE1 GLU A 27 5.849 -2.885 -15.038 1.00 0.00 O ATOM 404 OE2 GLU A 27 3.882 -3.870 -15.084 1.00 0.00 O ATOM 0 H GLU A 27 2.438 1.357 -14.177 1.00 0.00 H new ATOM 0 HA GLU A 27 2.692 -0.436 -12.059 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.763 -1.027 -14.501 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.383 -0.364 -14.585 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.083 -2.000 -12.768 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.485 -2.715 -12.853 1.00 0.00 H new ATOM 411 N LYS A 28 5.347 1.524 -12.506 1.00 0.00 N ATOM 412 CA LYS A 28 6.552 2.015 -11.810 1.00 0.00 C ATOM 413 C LYS A 28 6.250 2.604 -10.416 1.00 0.00 C ATOM 414 O LYS A 28 6.944 2.280 -9.452 1.00 0.00 O ATOM 415 CB LYS A 28 7.258 3.037 -12.719 1.00 0.00 C ATOM 416 CG LYS A 28 8.678 3.411 -12.264 1.00 0.00 C ATOM 417 CD LYS A 28 9.272 4.565 -13.093 1.00 0.00 C ATOM 418 CE LYS A 28 9.362 4.234 -14.589 1.00 0.00 C ATOM 419 NZ LYS A 28 10.002 5.321 -15.360 1.00 0.00 N ATOM 0 H LYS A 28 5.119 2.035 -13.359 1.00 0.00 H new ATOM 0 HA LYS A 28 7.210 1.167 -11.621 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.307 2.634 -13.730 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.653 3.943 -12.766 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.657 3.696 -11.212 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.325 2.538 -12.345 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.659 5.456 -12.958 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.267 4.802 -12.717 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.929 3.313 -14.723 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.361 4.052 -14.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.043 5.056 -16.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.448 6.195 -15.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.967 5.478 -15.004 1.00 0.00 H new ATOM 433 N VAL A 29 5.216 3.439 -10.260 1.00 0.00 N ATOM 434 CA VAL A 29 4.757 3.936 -8.942 1.00 0.00 C ATOM 435 C VAL A 29 4.364 2.776 -8.020 1.00 0.00 C ATOM 436 O VAL A 29 4.872 2.670 -6.905 1.00 0.00 O ATOM 437 CB VAL A 29 3.580 4.921 -9.113 1.00 0.00 C ATOM 438 CG1 VAL A 29 2.948 5.354 -7.783 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.042 6.197 -9.831 1.00 0.00 C ATOM 0 H VAL A 29 4.667 3.795 -11.043 1.00 0.00 H new ATOM 0 HA VAL A 29 5.586 4.468 -8.475 1.00 0.00 H new ATOM 0 HB VAL A 29 2.836 4.378 -9.695 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.128 6.045 -7.978 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.567 4.478 -7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.700 5.847 -7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.198 6.878 -9.942 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.824 6.681 -9.246 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.432 5.939 -10.816 1.00 0.00 H new ATOM 449 N PHE A 30 3.520 1.861 -8.494 1.00 0.00 N ATOM 450 CA PHE A 30 3.135 0.691 -7.699 1.00 0.00 C ATOM 451 C PHE A 30 4.338 -0.181 -7.283 1.00 0.00 C ATOM 452 O PHE A 30 4.440 -0.604 -6.131 1.00 0.00 O ATOM 453 CB PHE A 30 2.126 -0.170 -8.456 1.00 0.00 C ATOM 454 CG PHE A 30 0.784 0.475 -8.775 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.140 1.334 -7.857 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.168 0.206 -10.015 1.00 0.00 C ATOM 457 CE1 PHE A 30 -1.094 1.923 -8.184 1.00 0.00 C ATOM 458 CE2 PHE A 30 -1.060 0.805 -10.342 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.693 1.657 -9.425 1.00 0.00 C ATOM 0 H PHE A 30 3.091 1.904 -9.418 1.00 0.00 H new ATOM 0 HA PHE A 30 2.683 1.083 -6.788 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.583 -0.486 -9.393 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.941 -1.071 -7.872 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.597 1.539 -6.900 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.643 -0.464 -10.717 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.581 2.581 -7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.517 0.609 -11.301 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.642 2.109 -9.674 1.00 0.00 H new ATOM 469 N LYS A 31 5.286 -0.406 -8.193 1.00 0.00 N ATOM 470 CA LYS A 31 6.518 -1.130 -7.883 1.00 0.00 C ATOM 471 C LYS A 31 7.421 -0.372 -6.899 1.00 0.00 C ATOM 472 O LYS A 31 8.094 -1.003 -6.087 1.00 0.00 O ATOM 473 CB LYS A 31 7.266 -1.492 -9.173 1.00 0.00 C ATOM 474 CG LYS A 31 6.617 -2.730 -9.810 1.00 0.00 C ATOM 475 CD LYS A 31 7.387 -3.214 -11.045 1.00 0.00 C ATOM 476 CE LYS A 31 6.772 -4.498 -11.619 1.00 0.00 C ATOM 477 NZ LYS A 31 6.999 -5.671 -10.747 1.00 0.00 N ATOM 0 H LYS A 31 5.222 -0.093 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 31 6.232 -2.053 -7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.238 -0.654 -9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.315 -1.690 -8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.570 -3.533 -9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.590 -2.496 -10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.383 -2.435 -11.807 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.428 -3.395 -10.779 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.701 -4.354 -11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.198 -4.693 -12.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.117 -6.522 -11.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.857 -5.520 -10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.183 -5.797 -10.115 1.00 0.00 H new ATOM 491 N GLN A 32 7.410 0.963 -6.869 1.00 0.00 N ATOM 492 CA GLN A 32 8.154 1.746 -5.865 1.00 0.00 C ATOM 493 C GLN A 32 7.633 1.547 -4.424 1.00 0.00 C ATOM 494 O GLN A 32 8.424 1.558 -3.478 1.00 0.00 O ATOM 495 CB GLN A 32 8.131 3.226 -6.299 1.00 0.00 C ATOM 496 CG GLN A 32 9.271 3.536 -7.275 1.00 0.00 C ATOM 497 CD GLN A 32 9.130 4.924 -7.856 1.00 0.00 C ATOM 498 OE1 GLN A 32 9.801 5.865 -7.450 1.00 0.00 O ATOM 499 NE2 GLN A 32 8.249 5.090 -8.818 1.00 0.00 N ATOM 0 H GLN A 32 6.889 1.534 -7.534 1.00 0.00 H new ATOM 0 HA GLN A 32 9.182 1.386 -5.829 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.174 3.455 -6.769 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.216 3.866 -5.421 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.228 3.450 -6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.275 2.801 -8.080 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.697 4.298 -9.146 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.118 6.011 -9.236 1.00 0.00 H new ATOM 508 N TYR A 33 6.329 1.308 -4.243 1.00 0.00 N ATOM 509 CA TYR A 33 5.733 0.912 -2.948 1.00 0.00 C ATOM 510 C TYR A 33 5.737 -0.612 -2.664 1.00 0.00 C ATOM 511 O TYR A 33 5.725 -1.009 -1.496 1.00 0.00 O ATOM 512 CB TYR A 33 4.298 1.456 -2.856 1.00 0.00 C ATOM 513 CG TYR A 33 4.177 2.958 -2.614 1.00 0.00 C ATOM 514 CD1 TYR A 33 4.364 3.873 -3.669 1.00 0.00 C ATOM 515 CD2 TYR A 33 3.808 3.443 -1.342 1.00 0.00 C ATOM 516 CE1 TYR A 33 4.147 5.249 -3.472 1.00 0.00 C ATOM 517 CE2 TYR A 33 3.588 4.820 -1.145 1.00 0.00 C ATOM 518 CZ TYR A 33 3.743 5.720 -2.213 1.00 0.00 C ATOM 519 OH TYR A 33 3.475 7.043 -2.033 1.00 0.00 O ATOM 0 H TYR A 33 5.645 1.383 -4.996 1.00 0.00 H new ATOM 0 HA TYR A 33 6.373 1.350 -2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.776 1.212 -3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.781 0.934 -2.051 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.677 3.515 -4.638 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.694 2.756 -0.516 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.291 5.942 -4.288 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.299 5.185 -0.170 1.00 0.00 H new ATOM 0 HH TYR A 33 3.584 7.518 -2.883 1.00 0.00 H new ATOM 529 N PHE A 34 5.803 -1.456 -3.704 1.00 0.00 N ATOM 530 CA PHE A 34 5.597 -2.921 -3.595 1.00 0.00 C ATOM 531 C PHE A 34 6.723 -3.854 -4.112 1.00 0.00 C ATOM 532 O PHE A 34 6.502 -5.060 -4.260 1.00 0.00 O ATOM 533 CB PHE A 34 4.205 -3.295 -4.136 1.00 0.00 C ATOM 534 CG PHE A 34 3.047 -2.556 -3.479 1.00 0.00 C ATOM 535 CD1 PHE A 34 2.890 -2.581 -2.078 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.124 -1.839 -4.264 1.00 0.00 C ATOM 537 CE1 PHE A 34 1.840 -1.875 -1.467 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.065 -1.141 -3.654 1.00 0.00 C ATOM 539 CZ PHE A 34 0.926 -1.158 -2.255 1.00 0.00 C ATOM 0 H PHE A 34 6.002 -1.146 -4.655 1.00 0.00 H new ATOM 0 HA PHE A 34 5.652 -3.123 -2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.182 -3.099 -5.208 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.055 -4.367 -4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.581 -3.146 -1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.229 -1.825 -5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.736 -1.884 -0.392 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.359 -0.593 -4.260 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.116 -0.619 -1.786 1.00 0.00 H new ATOM 549 N ASN A 35 7.937 -3.349 -4.347 1.00 0.00 N ATOM 550 CA ASN A 35 9.119 -4.182 -4.625 1.00 0.00 C ATOM 551 C ASN A 35 9.856 -4.533 -3.310 1.00 0.00 C ATOM 552 O ASN A 35 10.141 -3.650 -2.499 1.00 0.00 O ATOM 553 CB ASN A 35 10.089 -3.456 -5.576 1.00 0.00 C ATOM 554 CG ASN A 35 9.710 -3.518 -7.048 1.00 0.00 C ATOM 555 OD1 ASN A 35 8.749 -4.153 -7.471 1.00 0.00 O ATOM 556 ND2 ASN A 35 10.503 -2.882 -7.887 1.00 0.00 N ATOM 0 H ASN A 35 8.133 -2.348 -4.351 1.00 0.00 H new ATOM 0 HA ASN A 35 8.775 -5.100 -5.102 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.154 -2.410 -5.276 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.084 -3.885 -5.454 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.318 -2.917 -8.890 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.301 -2.355 -7.534 1.00 0.00 H new ATOM 563 N ASP A 36 10.191 -5.820 -3.135 1.00 0.00 N ATOM 564 CA ASP A 36 11.062 -6.441 -2.105 1.00 0.00 C ATOM 565 C ASP A 36 10.938 -6.034 -0.615 1.00 0.00 C ATOM 566 O ASP A 36 11.770 -6.439 0.199 1.00 0.00 O ATOM 567 CB ASP A 36 12.526 -6.390 -2.587 1.00 0.00 C ATOM 568 CG ASP A 36 13.161 -4.980 -2.599 1.00 0.00 C ATOM 569 OD1 ASP A 36 13.607 -4.496 -1.530 1.00 0.00 O ATOM 570 OD2 ASP A 36 13.257 -4.374 -3.695 1.00 0.00 O ATOM 0 H ASP A 36 9.826 -6.529 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 36 10.661 -7.453 -2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.126 -7.037 -1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.576 -6.803 -3.594 1.00 0.00 H new ATOM 575 N ASN A 37 9.888 -5.312 -0.217 1.00 0.00 N ATOM 576 CA ASN A 37 9.597 -5.005 1.195 1.00 0.00 C ATOM 577 C ASN A 37 9.433 -6.288 2.064 1.00 0.00 C ATOM 578 O ASN A 37 9.867 -6.354 3.218 1.00 0.00 O ATOM 579 CB ASN A 37 8.383 -4.048 1.257 1.00 0.00 C ATOM 580 CG ASN A 37 7.097 -4.526 0.584 1.00 0.00 C ATOM 581 OD1 ASN A 37 6.822 -5.710 0.441 1.00 0.00 O ATOM 582 ND2 ASN A 37 6.273 -3.617 0.113 1.00 0.00 N ATOM 0 H ASN A 37 9.207 -4.919 -0.867 1.00 0.00 H new ATOM 0 HA ASN A 37 10.452 -4.495 1.640 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.163 -3.845 2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.673 -3.101 0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.418 -3.902 -0.364 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.489 -2.626 0.225 1.00 0.00 H new ATOM 589 N GLY A 38 8.823 -7.301 1.451 1.00 0.00 N ATOM 590 CA GLY A 38 8.520 -8.610 2.044 1.00 0.00 C ATOM 591 C GLY A 38 7.543 -9.506 1.282 1.00 0.00 C ATOM 592 O GLY A 38 7.666 -10.731 1.366 1.00 0.00 O ATOM 0 H GLY A 38 8.511 -7.232 0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.457 -9.154 2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.119 -8.445 3.044 1.00 0.00 H new ATOM 596 N VAL A 39 6.591 -8.939 0.532 1.00 0.00 N ATOM 597 CA VAL A 39 5.597 -9.741 -0.216 1.00 0.00 C ATOM 598 C VAL A 39 6.239 -10.633 -1.295 1.00 0.00 C ATOM 599 O VAL A 39 5.884 -11.806 -1.413 1.00 0.00 O ATOM 600 CB VAL A 39 4.464 -8.860 -0.792 1.00 0.00 C ATOM 601 CG1 VAL A 39 4.909 -7.879 -1.885 1.00 0.00 C ATOM 602 CG2 VAL A 39 3.301 -9.701 -1.330 1.00 0.00 C ATOM 0 H VAL A 39 6.482 -7.931 0.423 1.00 0.00 H new ATOM 0 HA VAL A 39 5.144 -10.419 0.507 1.00 0.00 H new ATOM 0 HB VAL A 39 4.138 -8.267 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.050 -7.304 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.661 -7.201 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.333 -8.434 -2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.528 -9.042 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.661 -10.354 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.886 -10.305 -0.524 1.00 0.00 H new ATOM 612 N ASP A 40 7.223 -10.103 -2.044 1.00 0.00 N ATOM 613 CA ASP A 40 7.920 -10.752 -3.182 1.00 0.00 C ATOM 614 C ASP A 40 6.996 -11.595 -4.099 1.00 0.00 C ATOM 615 O ASP A 40 7.349 -12.686 -4.554 1.00 0.00 O ATOM 616 CB ASP A 40 9.142 -11.530 -2.644 1.00 0.00 C ATOM 617 CG ASP A 40 10.123 -12.021 -3.735 1.00 0.00 C ATOM 618 OD1 ASP A 40 10.450 -11.240 -4.663 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.610 -13.174 -3.634 1.00 0.00 O ATOM 0 H ASP A 40 7.575 -9.162 -1.867 1.00 0.00 H new ATOM 0 HA ASP A 40 8.273 -9.970 -3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.684 -10.892 -1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.788 -12.391 -2.078 1.00 0.00 H new ATOM 624 N GLY A 41 5.777 -11.097 -4.322 1.00 0.00 N ATOM 625 CA GLY A 41 4.679 -11.820 -4.977 1.00 0.00 C ATOM 626 C GLY A 41 4.670 -11.776 -6.511 1.00 0.00 C ATOM 627 O GLY A 41 5.460 -11.074 -7.150 1.00 0.00 O ATOM 0 H GLY A 41 5.517 -10.151 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.718 -12.863 -4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.735 -11.413 -4.615 1.00 0.00 H new ATOM 631 N GLU A 42 3.740 -12.531 -7.103 1.00 0.00 N ATOM 632 CA GLU A 42 3.422 -12.552 -8.545 1.00 0.00 C ATOM 633 C GLU A 42 2.511 -11.386 -8.935 1.00 0.00 C ATOM 634 O GLU A 42 1.491 -11.142 -8.288 1.00 0.00 O ATOM 635 CB GLU A 42 2.728 -13.876 -8.908 1.00 0.00 C ATOM 636 CG GLU A 42 2.458 -14.072 -10.401 1.00 0.00 C ATOM 637 CD GLU A 42 3.756 -14.224 -11.185 1.00 0.00 C ATOM 638 OE1 GLU A 42 4.305 -13.196 -11.643 1.00 0.00 O ATOM 639 OE2 GLU A 42 4.214 -15.375 -11.352 1.00 0.00 O ATOM 0 H GLU A 42 3.158 -13.177 -6.570 1.00 0.00 H new ATOM 0 HA GLU A 42 4.360 -12.457 -9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.345 -14.702 -8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.781 -13.932 -8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.837 -14.956 -10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.896 -13.221 -10.786 1.00 0.00 H new ATOM 646 N TRP A 43 2.877 -10.688 -10.006 1.00 0.00 N ATOM 647 CA TRP A 43 2.147 -9.550 -10.580 1.00 0.00 C ATOM 648 C TRP A 43 1.216 -9.961 -11.743 1.00 0.00 C ATOM 649 O TRP A 43 1.516 -10.871 -12.522 1.00 0.00 O ATOM 650 CB TRP A 43 3.151 -8.473 -11.018 1.00 0.00 C ATOM 651 CG TRP A 43 3.846 -7.760 -9.893 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.749 -8.307 -9.046 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.687 -6.374 -9.449 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.134 -7.379 -8.102 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.501 -6.173 -8.292 1.00 0.00 C ATOM 656 CE3 TRP A 43 2.931 -5.268 -9.899 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.554 -4.949 -7.612 1.00 0.00 C ATOM 658 CZ3 TRP A 43 2.980 -4.033 -9.226 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.781 -3.875 -8.081 1.00 0.00 C ATOM 0 H TRP A 43 3.728 -10.906 -10.524 1.00 0.00 H new ATOM 0 HA TRP A 43 1.493 -9.145 -9.808 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.904 -8.937 -11.655 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.628 -7.736 -11.628 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.114 -9.322 -9.102 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.805 -7.564 -7.356 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.306 -5.372 -10.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.180 -4.833 -6.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.398 -3.200 -9.592 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.802 -2.928 -7.563 1.00 0.00 H new ATOM 670 N THR A 44 0.067 -9.296 -11.857 1.00 0.00 N ATOM 671 CA THR A 44 -0.914 -9.443 -12.951 1.00 0.00 C ATOM 672 C THR A 44 -1.457 -8.059 -13.360 1.00 0.00 C ATOM 673 O THR A 44 -1.496 -7.145 -12.531 1.00 0.00 O ATOM 674 CB THR A 44 -2.077 -10.367 -12.517 1.00 0.00 C ATOM 675 OG1 THR A 44 -1.598 -11.587 -11.981 1.00 0.00 O ATOM 676 CG2 THR A 44 -3.032 -10.739 -13.653 1.00 0.00 C ATOM 0 H THR A 44 -0.226 -8.608 -11.163 1.00 0.00 H new ATOM 0 HA THR A 44 -0.416 -9.896 -13.808 1.00 0.00 H new ATOM 0 HB THR A 44 -2.615 -9.780 -11.772 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.357 -12.148 -11.715 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.819 -11.388 -13.269 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.477 -9.834 -14.065 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.481 -11.261 -14.435 1.00 0.00 H new ATOM 684 N TYR A 45 -1.902 -7.887 -14.610 1.00 0.00 N ATOM 685 CA TYR A 45 -2.531 -6.654 -15.120 1.00 0.00 C ATOM 686 C TYR A 45 -3.651 -6.950 -16.136 1.00 0.00 C ATOM 687 O TYR A 45 -3.501 -7.812 -17.009 1.00 0.00 O ATOM 688 CB TYR A 45 -1.454 -5.767 -15.770 1.00 0.00 C ATOM 689 CG TYR A 45 -1.970 -4.502 -16.442 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.640 -3.521 -15.687 1.00 0.00 C ATOM 691 CD2 TYR A 45 -1.774 -4.293 -17.822 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.112 -2.346 -16.300 1.00 0.00 C ATOM 693 CE2 TYR A 45 -2.239 -3.111 -18.433 1.00 0.00 C ATOM 694 CZ TYR A 45 -2.910 -2.139 -17.672 1.00 0.00 C ATOM 695 OH TYR A 45 -3.371 -1.001 -18.260 1.00 0.00 O ATOM 0 H TYR A 45 -1.835 -8.619 -15.317 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.988 -6.136 -14.277 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.731 -5.483 -15.005 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.918 -6.360 -16.511 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.793 -3.672 -14.629 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.266 -5.041 -18.413 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.631 -1.602 -15.713 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.079 -2.952 -19.489 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.342 -1.102 -19.234 1.00 0.00 H new ATOM 705 N ASP A 46 -4.758 -6.211 -16.031 1.00 0.00 N ATOM 706 CA ASP A 46 -5.889 -6.175 -16.973 1.00 0.00 C ATOM 707 C ASP A 46 -6.042 -4.768 -17.565 1.00 0.00 C ATOM 708 O ASP A 46 -6.488 -3.839 -16.884 1.00 0.00 O ATOM 709 CB ASP A 46 -7.179 -6.631 -16.266 1.00 0.00 C ATOM 710 CG ASP A 46 -7.211 -8.141 -15.956 1.00 0.00 C ATOM 711 OD1 ASP A 46 -7.509 -8.939 -16.879 1.00 0.00 O ATOM 712 OD2 ASP A 46 -6.970 -8.532 -14.787 1.00 0.00 O ATOM 0 H ASP A 46 -4.901 -5.583 -15.240 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.694 -6.863 -17.795 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.289 -6.075 -15.335 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.035 -6.379 -16.892 1.00 0.00 H new ATOM 717 N ASP A 47 -5.671 -4.594 -18.839 1.00 0.00 N ATOM 718 CA ASP A 47 -5.734 -3.300 -19.546 1.00 0.00 C ATOM 719 C ASP A 47 -7.168 -2.827 -19.819 1.00 0.00 C ATOM 720 O ASP A 47 -7.446 -1.631 -19.836 1.00 0.00 O ATOM 721 CB ASP A 47 -4.936 -3.408 -20.858 1.00 0.00 C ATOM 722 CG ASP A 47 -4.657 -2.038 -21.509 1.00 0.00 C ATOM 723 OD1 ASP A 47 -3.867 -1.255 -20.930 1.00 0.00 O ATOM 724 OD2 ASP A 47 -5.211 -1.766 -22.602 1.00 0.00 O ATOM 0 H ASP A 47 -5.314 -5.354 -19.419 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.293 -2.545 -18.895 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.989 -3.910 -20.660 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.487 -4.033 -21.561 1.00 0.00 H new ATOM 729 N ALA A 48 -8.093 -3.778 -19.946 1.00 0.00 N ATOM 730 CA ALA A 48 -9.539 -3.551 -20.083 1.00 0.00 C ATOM 731 C ALA A 48 -10.155 -2.745 -18.922 1.00 0.00 C ATOM 732 O ALA A 48 -11.198 -2.104 -19.072 1.00 0.00 O ATOM 733 CB ALA A 48 -10.226 -4.918 -20.148 1.00 0.00 C ATOM 0 H ALA A 48 -7.850 -4.769 -19.957 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.691 -2.961 -20.987 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.302 -4.780 -20.250 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.849 -5.474 -21.006 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.017 -5.474 -19.234 1.00 0.00 H new ATOM 739 N THR A 49 -9.505 -2.809 -17.760 1.00 0.00 N ATOM 740 CA THR A 49 -9.998 -2.306 -16.471 1.00 0.00 C ATOM 741 C THR A 49 -8.989 -1.390 -15.757 1.00 0.00 C ATOM 742 O THR A 49 -9.192 -1.018 -14.598 1.00 0.00 O ATOM 743 CB THR A 49 -10.421 -3.480 -15.565 1.00 0.00 C ATOM 744 OG1 THR A 49 -9.302 -4.197 -15.100 1.00 0.00 O ATOM 745 CG2 THR A 49 -11.349 -4.488 -16.248 1.00 0.00 C ATOM 0 H THR A 49 -8.579 -3.231 -17.685 1.00 0.00 H new ATOM 0 HA THR A 49 -10.870 -1.688 -16.683 1.00 0.00 H new ATOM 0 HB THR A 49 -10.961 -3.006 -14.745 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.533 -4.014 -15.679 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.602 -5.283 -15.547 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.261 -3.984 -16.569 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.846 -4.916 -17.116 1.00 0.00 H new ATOM 753 N LYS A 50 -7.886 -1.018 -16.429 1.00 0.00 N ATOM 754 CA LYS A 50 -6.756 -0.222 -15.911 1.00 0.00 C ATOM 755 C LYS A 50 -6.284 -0.680 -14.507 1.00 0.00 C ATOM 756 O LYS A 50 -5.896 0.129 -13.658 1.00 0.00 O ATOM 757 CB LYS A 50 -7.075 1.291 -15.995 1.00 0.00 C ATOM 758 CG LYS A 50 -7.050 1.902 -17.411 1.00 0.00 C ATOM 759 CD LYS A 50 -8.153 1.385 -18.343 1.00 0.00 C ATOM 760 CE LYS A 50 -8.160 2.125 -19.683 1.00 0.00 C ATOM 761 NZ LYS A 50 -9.067 1.474 -20.652 1.00 0.00 N ATOM 0 H LYS A 50 -7.750 -1.279 -17.405 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.896 -0.405 -16.556 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.062 1.460 -15.564 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.359 1.830 -15.374 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.139 2.985 -17.328 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.081 1.696 -17.865 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.011 0.319 -18.518 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.122 1.502 -17.858 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.471 3.158 -19.528 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.149 2.154 -20.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.050 1.998 -21.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.755 0.496 -20.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.035 1.469 -20.272 1.00 0.00 H new ATOM 775 N THR A 51 -6.343 -1.989 -14.246 1.00 0.00 N ATOM 776 CA THR A 51 -6.134 -2.542 -12.890 1.00 0.00 C ATOM 777 C THR A 51 -5.042 -3.615 -12.843 1.00 0.00 C ATOM 778 O THR A 51 -4.979 -4.524 -13.671 1.00 0.00 O ATOM 779 CB THR A 51 -7.449 -3.073 -12.281 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.416 -2.046 -12.189 1.00 0.00 O ATOM 781 CG2 THR A 51 -7.290 -3.610 -10.853 1.00 0.00 C ATOM 0 H THR A 51 -6.535 -2.696 -14.956 1.00 0.00 H new ATOM 0 HA THR A 51 -5.786 -1.709 -12.280 1.00 0.00 H new ATOM 0 HB THR A 51 -7.752 -3.877 -12.952 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.677 -1.761 -13.090 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.254 -3.966 -10.489 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.575 -4.433 -10.851 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.928 -2.813 -10.203 1.00 0.00 H new ATOM 789 N PHE A 52 -4.193 -3.503 -11.824 1.00 0.00 N ATOM 790 CA PHE A 52 -3.056 -4.346 -11.470 1.00 0.00 C ATOM 791 C PHE A 52 -3.380 -5.160 -10.208 1.00 0.00 C ATOM 792 O PHE A 52 -4.127 -4.719 -9.331 1.00 0.00 O ATOM 793 CB PHE A 52 -1.814 -3.483 -11.207 1.00 0.00 C ATOM 794 CG PHE A 52 -1.217 -2.812 -12.426 1.00 0.00 C ATOM 795 CD1 PHE A 52 -1.727 -1.581 -12.884 1.00 0.00 C ATOM 796 CD2 PHE A 52 -0.136 -3.414 -13.095 1.00 0.00 C ATOM 797 CE1 PHE A 52 -1.150 -0.951 -14.001 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.427 -2.795 -14.223 1.00 0.00 C ATOM 799 CZ PHE A 52 -0.081 -1.566 -14.675 1.00 0.00 C ATOM 0 H PHE A 52 -4.297 -2.739 -11.157 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.855 -5.022 -12.301 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.075 -2.713 -10.481 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.049 -4.109 -10.747 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.562 -1.121 -12.377 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.262 -4.354 -12.741 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.527 0.003 -14.340 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.250 -3.264 -14.742 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.351 -1.092 -15.544 1.00 0.00 H new ATOM 809 N THR A 53 -2.871 -6.380 -10.115 1.00 0.00 N ATOM 810 CA THR A 53 -2.984 -7.223 -8.914 1.00 0.00 C ATOM 811 C THR A 53 -1.624 -7.812 -8.518 1.00 0.00 C ATOM 812 O THR A 53 -0.781 -8.095 -9.371 1.00 0.00 O ATOM 813 CB THR A 53 -4.040 -8.324 -9.136 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.283 -7.734 -9.465 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.291 -9.215 -7.919 1.00 0.00 C ATOM 0 H THR A 53 -2.360 -6.826 -10.877 1.00 0.00 H new ATOM 0 HA THR A 53 -3.314 -6.601 -8.082 1.00 0.00 H new ATOM 0 HB THR A 53 -3.635 -8.944 -9.936 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.951 -8.437 -9.607 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.047 -9.961 -8.164 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.365 -9.716 -7.638 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.640 -8.604 -7.087 1.00 0.00 H new ATOM 823 N VAL A 54 -1.420 -7.992 -7.213 1.00 0.00 N ATOM 824 CA VAL A 54 -0.236 -8.598 -6.578 1.00 0.00 C ATOM 825 C VAL A 54 -0.697 -9.682 -5.604 1.00 0.00 C ATOM 826 O VAL A 54 -1.559 -9.436 -4.758 1.00 0.00 O ATOM 827 CB VAL A 54 0.622 -7.555 -5.827 1.00 0.00 C ATOM 828 CG1 VAL A 54 1.875 -8.191 -5.201 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.093 -6.445 -6.771 1.00 0.00 C ATOM 0 H VAL A 54 -2.115 -7.703 -6.524 1.00 0.00 H new ATOM 0 HA VAL A 54 0.387 -9.025 -7.363 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.016 -7.146 -5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.451 -7.425 -4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.576 -8.962 -4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.487 -8.637 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.694 -5.726 -6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.693 -6.878 -7.571 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.227 -5.940 -7.199 1.00 0.00 H new ATOM 839 N THR A 55 -0.119 -10.871 -5.729 1.00 0.00 N ATOM 840 CA THR A 55 -0.451 -12.047 -4.905 1.00 0.00 C ATOM 841 C THR A 55 0.812 -12.763 -4.407 1.00 0.00 C ATOM 842 O THR A 55 1.725 -13.037 -5.190 1.00 0.00 O ATOM 843 CB THR A 55 -1.402 -12.996 -5.661 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.597 -12.328 -6.009 1.00 0.00 O ATOM 845 CG2 THR A 55 -1.816 -14.221 -4.843 1.00 0.00 C ATOM 0 H THR A 55 0.610 -11.057 -6.418 1.00 0.00 H new ATOM 0 HA THR A 55 -0.979 -11.699 -4.017 1.00 0.00 H new ATOM 0 HB THR A 55 -0.840 -13.320 -6.537 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.188 -12.944 -6.489 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.485 -14.845 -5.436 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.929 -14.794 -4.572 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.329 -13.897 -3.937 1.00 0.00 H new ATOM 853 N GLU A 56 0.880 -13.036 -3.098 1.00 0.00 N ATOM 854 CA GLU A 56 2.020 -13.647 -2.390 1.00 0.00 C ATOM 855 C GLU A 56 2.213 -15.123 -2.757 1.00 0.00 C ATOM 856 O GLU A 56 3.345 -15.493 -3.136 1.00 0.00 O ATOM 857 CB GLU A 56 1.822 -13.476 -0.877 1.00 0.00 C ATOM 858 CG GLU A 56 3.133 -13.625 -0.113 1.00 0.00 C ATOM 859 CD GLU A 56 2.909 -13.674 1.390 1.00 0.00 C ATOM 860 OE1 GLU A 56 2.262 -12.751 1.933 1.00 0.00 O ATOM 861 OE2 GLU A 56 3.389 -14.638 2.024 1.00 0.00 O ATOM 862 OXT GLU A 56 1.236 -15.898 -2.669 1.00 0.00 O ATOM 0 H GLU A 56 0.104 -12.828 -2.469 1.00 0.00 H new ATOM 0 HA GLU A 56 2.930 -13.135 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.394 -12.494 -0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.106 -14.216 -0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.640 -14.535 -0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.792 -12.791 -0.355 1.00 0.00 H new ATOM 870 N MET B 1 -4.189 -8.878 17.226 1.00 0.00 N ATOM 871 CA MET B 1 -5.449 -8.304 16.682 1.00 0.00 C ATOM 872 C MET B 1 -5.223 -7.657 15.313 1.00 0.00 C ATOM 873 O MET B 1 -4.084 -7.543 14.858 1.00 0.00 O ATOM 874 CB MET B 1 -6.135 -7.353 17.684 1.00 0.00 C ATOM 875 CG MET B 1 -5.418 -6.014 17.912 1.00 0.00 C ATOM 876 SD MET B 1 -6.254 -4.929 19.101 1.00 0.00 S ATOM 877 CE MET B 1 -5.824 -5.735 20.668 1.00 0.00 C ATOM 0 H1 MET B 1 -4.102 -8.632 18.233 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.206 -9.913 17.123 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.377 -8.491 16.703 1.00 0.00 H new ATOM 0 HA MET B 1 -6.144 -9.130 16.529 1.00 0.00 H new ATOM 0 HB2 MET B 1 -7.147 -7.150 17.333 1.00 0.00 H new ATOM 0 HB3 MET B 1 -6.227 -7.865 18.642 1.00 0.00 H new ATOM 0 HG2 MET B 1 -4.405 -6.210 18.263 1.00 0.00 H new ATOM 0 HG3 MET B 1 -5.330 -5.493 16.959 1.00 0.00 H new ATOM 0 HE1 MET B 1 -6.223 -5.152 21.498 1.00 0.00 H new ATOM 0 HE2 MET B 1 -6.251 -6.738 20.691 1.00 0.00 H new ATOM 0 HE3 MET B 1 -4.740 -5.800 20.758 1.00 0.00 H new ATOM 889 N GLN B 2 -6.298 -7.237 14.640 1.00 0.00 N ATOM 890 CA GLN B 2 -6.236 -6.514 13.361 1.00 0.00 C ATOM 891 C GLN B 2 -5.812 -5.042 13.541 1.00 0.00 C ATOM 892 O GLN B 2 -6.365 -4.331 14.384 1.00 0.00 O ATOM 893 CB GLN B 2 -7.618 -6.558 12.677 1.00 0.00 C ATOM 894 CG GLN B 2 -7.531 -6.382 11.154 1.00 0.00 C ATOM 895 CD GLN B 2 -7.346 -7.717 10.468 1.00 0.00 C ATOM 896 OE1 GLN B 2 -8.302 -8.361 10.053 1.00 0.00 O ATOM 897 NE2 GLN B 2 -6.126 -8.183 10.354 1.00 0.00 N ATOM 0 H GLN B 2 -7.251 -7.391 14.971 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.484 -7.007 12.745 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -8.100 -7.509 12.902 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.250 -5.774 13.094 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.438 -5.902 10.787 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.699 -5.723 10.907 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.337 -7.638 10.703 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.965 -9.090 9.916 1.00 0.00 H new ATOM 906 N TYR B 3 -4.869 -4.579 12.720 1.00 0.00 N ATOM 907 CA TYR B 3 -4.466 -3.169 12.576 1.00 0.00 C ATOM 908 C TYR B 3 -4.570 -2.699 11.112 1.00 0.00 C ATOM 909 O TYR B 3 -4.508 -3.520 10.193 1.00 0.00 O ATOM 910 CB TYR B 3 -3.048 -2.978 13.127 1.00 0.00 C ATOM 911 CG TYR B 3 -2.910 -3.228 14.620 1.00 0.00 C ATOM 912 CD1 TYR B 3 -2.602 -4.517 15.101 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.082 -2.169 15.532 1.00 0.00 C ATOM 914 CE1 TYR B 3 -2.476 -4.743 16.484 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.966 -2.400 16.914 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.673 -3.690 17.390 1.00 0.00 C ATOM 917 OH TYR B 3 -2.586 -3.921 18.729 1.00 0.00 O ATOM 0 H TYR B 3 -4.339 -5.199 12.108 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.151 -2.550 13.155 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.373 -3.649 12.596 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -2.722 -1.961 12.911 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.463 -5.332 14.407 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -3.304 -1.176 15.169 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.227 -5.729 16.849 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -3.102 -1.586 17.610 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.748 -3.086 19.216 1.00 0.00 H new ATOM 927 N LYS B 4 -4.711 -1.392 10.870 1.00 0.00 N ATOM 928 CA LYS B 4 -4.983 -0.808 9.542 1.00 0.00 C ATOM 929 C LYS B 4 -4.111 0.438 9.244 1.00 0.00 C ATOM 930 O LYS B 4 -3.712 1.141 10.170 1.00 0.00 O ATOM 931 CB LYS B 4 -6.490 -0.488 9.495 1.00 0.00 C ATOM 932 CG LYS B 4 -6.999 -0.069 8.110 1.00 0.00 C ATOM 933 CD LYS B 4 -8.484 0.303 8.129 1.00 0.00 C ATOM 934 CE LYS B 4 -8.861 0.780 6.724 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.252 1.261 6.641 1.00 0.00 N ATOM 0 H LYS B 4 -4.638 -0.690 11.606 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.716 -1.519 8.760 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.047 -1.365 9.825 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -6.703 0.311 10.205 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.418 0.781 7.753 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.839 -0.884 7.404 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.090 -0.556 8.417 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.673 1.087 8.863 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.185 1.581 6.423 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.721 -0.038 6.017 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.381 1.799 5.761 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -10.901 0.449 6.649 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.456 1.875 7.455 1.00 0.00 H new ATOM 949 N LEU B 5 -3.870 0.752 7.967 1.00 0.00 N ATOM 950 CA LEU B 5 -3.084 1.895 7.468 1.00 0.00 C ATOM 951 C LEU B 5 -3.820 2.608 6.315 1.00 0.00 C ATOM 952 O LEU B 5 -4.211 1.960 5.344 1.00 0.00 O ATOM 953 CB LEU B 5 -1.720 1.353 6.996 1.00 0.00 C ATOM 954 CG LEU B 5 -0.555 2.324 6.717 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.742 3.195 5.476 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.236 3.225 7.903 1.00 0.00 C ATOM 0 H LEU B 5 -4.239 0.183 7.205 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.945 2.631 8.260 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.376 0.643 7.748 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.896 0.787 6.081 1.00 0.00 H new ATOM 0 HG LEU B 5 0.285 1.655 6.532 1.00 0.00 H new ATOM 0 HD11 LEU B 5 0.123 3.847 5.355 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.842 2.559 4.597 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.640 3.802 5.589 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.592 3.885 7.646 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.113 3.823 8.152 1.00 0.00 H new ATOM 0 HD23 LEU B 5 0.041 2.613 8.761 1.00 0.00 H new ATOM 968 N ILE B 6 -3.966 3.931 6.388 1.00 0.00 N ATOM 969 CA ILE B 6 -4.572 4.786 5.346 1.00 0.00 C ATOM 970 C ILE B 6 -3.498 5.703 4.740 1.00 0.00 C ATOM 971 O ILE B 6 -2.812 6.418 5.474 1.00 0.00 O ATOM 972 CB ILE B 6 -5.723 5.633 5.946 1.00 0.00 C ATOM 973 CG1 ILE B 6 -6.761 4.738 6.662 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.375 6.505 4.850 1.00 0.00 C ATOM 975 CD1 ILE B 6 -7.888 5.509 7.358 1.00 0.00 C ATOM 0 H ILE B 6 -3.657 4.464 7.201 1.00 0.00 H new ATOM 0 HA ILE B 6 -4.984 4.151 4.561 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.306 6.300 6.700 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.200 4.057 5.933 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.246 4.125 7.402 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.182 7.094 5.286 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.627 7.173 4.424 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -6.777 5.863 4.066 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.570 4.805 7.834 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.464 6.170 8.113 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.432 6.101 6.622 1.00 0.00 H new ATOM 987 N LEU B 7 -3.353 5.722 3.414 1.00 0.00 N ATOM 988 CA LEU B 7 -2.368 6.492 2.657 1.00 0.00 C ATOM 989 C LEU B 7 -3.039 7.683 1.937 1.00 0.00 C ATOM 990 O LEU B 7 -3.926 7.490 1.100 1.00 0.00 O ATOM 991 CB LEU B 7 -1.680 5.537 1.660 1.00 0.00 C ATOM 992 CG LEU B 7 -0.567 6.195 0.820 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.637 6.617 1.663 1.00 0.00 C ATOM 994 CD2 LEU B 7 -0.087 5.219 -0.250 1.00 0.00 C ATOM 0 H LEU B 7 -3.956 5.168 2.806 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.621 6.915 3.328 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.256 4.698 2.212 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.434 5.128 0.987 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.998 7.091 0.373 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.389 7.074 1.020 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.319 7.337 2.417 1.00 0.00 H new ATOM 0 HD13 LEU B 7 1.063 5.742 2.153 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.700 5.686 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.303 4.320 0.227 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.921 4.953 -0.900 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.603 8.899 2.268 1.00 0.00 N ATOM 1007 CA ASN B 8 -2.984 10.125 1.568 1.00 0.00 C ATOM 1008 C ASN B 8 -1.727 10.808 0.991 1.00 0.00 C ATOM 1009 O ASN B 8 -0.833 11.221 1.732 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.757 11.077 2.494 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.799 10.431 3.385 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -5.994 10.439 3.112 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.352 9.912 4.504 1.00 0.00 N ATOM 0 H ASN B 8 -1.963 9.062 3.045 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.650 9.865 0.745 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.040 11.600 3.126 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.249 11.831 1.879 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.004 9.502 5.172 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.352 9.919 4.706 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.649 10.930 -0.329 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.507 11.535 -1.029 1.00 0.00 C ATOM 1022 C GLY B 9 -0.749 11.850 -2.506 1.00 0.00 C ATOM 1023 O GLY B 9 -1.790 11.514 -3.075 1.00 0.00 O ATOM 0 H GLY B 9 -2.385 10.609 -0.958 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.233 12.457 -0.516 1.00 0.00 H new ATOM 0 HA3 GLY B 9 0.346 10.861 -0.952 1.00 0.00 H new ATOM 1027 N LYS B 10 0.206 12.543 -3.120 1.00 0.00 N ATOM 1028 CA LYS B 10 0.130 13.037 -4.500 1.00 0.00 C ATOM 1029 C LYS B 10 0.650 12.012 -5.526 1.00 0.00 C ATOM 1030 O LYS B 10 0.138 11.944 -6.647 1.00 0.00 O ATOM 1031 CB LYS B 10 0.918 14.354 -4.611 1.00 0.00 C ATOM 1032 CG LYS B 10 0.356 15.449 -3.683 1.00 0.00 C ATOM 1033 CD LYS B 10 1.021 16.816 -3.901 1.00 0.00 C ATOM 1034 CE LYS B 10 2.491 16.815 -3.470 1.00 0.00 C ATOM 1035 NZ LYS B 10 3.130 18.129 -3.680 1.00 0.00 N ATOM 0 H LYS B 10 1.083 12.786 -2.660 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.921 13.207 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.964 14.172 -4.363 1.00 0.00 H new ATOM 0 HB3 LYS B 10 0.891 14.705 -5.642 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -0.717 15.542 -3.848 1.00 0.00 H new ATOM 0 HG3 LYS B 10 0.494 15.145 -2.645 1.00 0.00 H new ATOM 0 HD2 LYS B 10 0.952 17.089 -4.954 1.00 0.00 H new ATOM 0 HD3 LYS B 10 0.479 17.576 -3.339 1.00 0.00 H new ATOM 0 HE2 LYS B 10 2.560 16.543 -2.417 1.00 0.00 H new ATOM 0 HE3 LYS B 10 3.033 16.054 -4.032 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 4.123 18.085 -3.375 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 3.088 18.378 -4.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 2.629 18.851 -3.124 1.00 0.00 H new ATOM 1049 N THR B 11 1.629 11.183 -5.149 1.00 0.00 N ATOM 1050 CA THR B 11 2.085 10.038 -5.958 1.00 0.00 C ATOM 1051 C THR B 11 1.086 8.870 -5.902 1.00 0.00 C ATOM 1052 O THR B 11 0.659 8.364 -6.942 1.00 0.00 O ATOM 1053 CB THR B 11 3.477 9.558 -5.503 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.526 9.270 -4.121 1.00 0.00 O ATOM 1055 CG2 THR B 11 4.556 10.605 -5.785 1.00 0.00 C ATOM 0 H THR B 11 2.133 11.285 -4.268 1.00 0.00 H new ATOM 0 HA THR B 11 2.150 10.383 -6.990 1.00 0.00 H new ATOM 0 HB THR B 11 3.664 8.649 -6.075 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.439 9.014 -3.872 1.00 0.00 H new ATOM 0 HG21 THR B 11 5.523 10.230 -5.450 1.00 0.00 H new ATOM 0 HG22 THR B 11 4.596 10.807 -6.855 1.00 0.00 H new ATOM 0 HG23 THR B 11 4.319 11.525 -5.251 1.00 0.00 H new ATOM 1063 N LEU B 12 0.653 8.481 -4.698 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.254 7.347 -4.465 1.00 0.00 C ATOM 1065 C LEU B 12 -1.270 7.609 -3.329 1.00 0.00 C ATOM 1066 O LEU B 12 -0.950 8.269 -2.338 1.00 0.00 O ATOM 1067 CB LEU B 12 0.638 6.126 -4.137 1.00 0.00 C ATOM 1068 CG LEU B 12 -0.077 4.764 -4.106 1.00 0.00 C ATOM 1069 CD1 LEU B 12 -0.526 4.348 -5.501 1.00 0.00 C ATOM 1070 CD2 LEU B 12 0.855 3.671 -3.595 1.00 0.00 C ATOM 0 H LEU B 12 0.928 8.955 -3.838 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.860 7.176 -5.355 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.440 6.077 -4.873 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.106 6.292 -3.167 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.936 4.879 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.028 3.382 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -1.214 5.094 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.343 4.270 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.326 2.718 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.722 3.596 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.184 3.916 -2.585 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.471 7.034 -3.445 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.492 6.987 -2.381 1.00 0.00 C ATOM 1084 C LYS B 13 -3.977 5.539 -2.176 1.00 0.00 C ATOM 1085 O LYS B 13 -3.956 4.748 -3.120 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.682 7.890 -2.746 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.329 9.385 -2.782 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.573 10.228 -3.110 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.320 11.742 -3.036 1.00 0.00 C ATOM 1090 NZ LYS B 13 -4.371 12.215 -4.065 1.00 0.00 N ATOM 0 H LYS B 13 -2.773 6.574 -4.304 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.046 7.347 -1.454 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.068 7.592 -3.721 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.483 7.731 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.920 9.691 -1.819 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.555 9.563 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -5.922 9.974 -4.111 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.373 9.966 -2.418 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -6.267 12.270 -3.151 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -4.933 11.993 -2.048 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -4.476 13.242 -4.188 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.399 11.999 -3.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.570 11.737 -4.967 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.421 5.162 -0.974 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.859 3.781 -0.700 1.00 0.00 C ATOM 1106 C GLY B 14 -5.104 3.419 0.769 1.00 0.00 C ATOM 1107 O GLY B 14 -5.048 4.273 1.655 1.00 0.00 O ATOM 0 H GLY B 14 -4.489 5.789 -0.173 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.780 3.599 -1.254 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.107 3.100 -1.098 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.366 2.133 1.019 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.654 1.531 2.343 1.00 0.00 C ATOM 1113 C GLU B 15 -5.138 0.093 2.445 1.00 0.00 C ATOM 1114 O GLU B 15 -5.329 -0.699 1.522 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.169 1.473 2.614 1.00 0.00 C ATOM 1116 CG GLU B 15 -7.836 2.842 2.752 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.329 2.665 2.985 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.733 2.483 4.155 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.096 2.712 1.997 1.00 0.00 O ATOM 0 H GLU B 15 -5.386 1.440 0.271 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.149 2.168 3.069 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.651 0.927 1.803 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.341 0.904 3.528 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.392 3.392 3.582 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.666 3.432 1.851 1.00 0.00 H new ATOM 1126 N THR B 16 -4.521 -0.256 3.574 1.00 0.00 N ATOM 1127 CA THR B 16 -4.023 -1.620 3.862 1.00 0.00 C ATOM 1128 C THR B 16 -4.332 -2.098 5.290 1.00 0.00 C ATOM 1129 O THR B 16 -4.641 -1.292 6.171 1.00 0.00 O ATOM 1130 CB THR B 16 -2.507 -1.774 3.604 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.722 -1.258 4.650 1.00 0.00 O ATOM 1132 CG2 THR B 16 -1.998 -1.101 2.330 1.00 0.00 C ATOM 0 H THR B 16 -4.346 0.404 4.332 1.00 0.00 H new ATOM 0 HA THR B 16 -4.570 -2.251 3.162 1.00 0.00 H new ATOM 0 HB THR B 16 -2.400 -2.855 3.512 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.782 -1.235 4.373 1.00 0.00 H new ATOM 0 HG21 THR B 16 -0.924 -1.264 2.236 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.507 -1.527 1.465 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.199 -0.031 2.378 1.00 0.00 H new ATOM 1140 N THR B 17 -4.237 -3.405 5.535 1.00 0.00 N ATOM 1141 CA THR B 17 -4.615 -4.062 6.799 1.00 0.00 C ATOM 1142 C THR B 17 -3.677 -5.244 7.111 1.00 0.00 C ATOM 1143 O THR B 17 -3.247 -5.961 6.204 1.00 0.00 O ATOM 1144 CB THR B 17 -6.075 -4.577 6.746 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.948 -3.684 6.082 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.678 -4.799 8.130 1.00 0.00 C ATOM 0 H THR B 17 -3.884 -4.063 4.840 1.00 0.00 H new ATOM 0 HA THR B 17 -4.527 -3.314 7.587 1.00 0.00 H new ATOM 0 HB THR B 17 -5.995 -5.519 6.203 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.854 -4.057 6.075 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.702 -5.160 8.027 1.00 0.00 H new ATOM 0 HG22 THR B 17 -6.086 -5.537 8.671 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.678 -3.859 8.682 1.00 0.00 H new ATOM 1154 N THR B 18 -3.364 -5.458 8.390 1.00 0.00 N ATOM 1155 CA THR B 18 -2.427 -6.484 8.896 1.00 0.00 C ATOM 1156 C THR B 18 -2.906 -7.087 10.229 1.00 0.00 C ATOM 1157 O THR B 18 -3.801 -6.539 10.881 1.00 0.00 O ATOM 1158 CB THR B 18 -1.008 -5.884 9.053 1.00 0.00 C ATOM 1159 OG1 THR B 18 -0.025 -6.882 9.218 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.865 -4.930 10.244 1.00 0.00 C ATOM 0 H THR B 18 -3.770 -4.900 9.141 1.00 0.00 H new ATOM 0 HA THR B 18 -2.394 -7.291 8.164 1.00 0.00 H new ATOM 0 HB THR B 18 -0.860 -5.331 8.125 1.00 0.00 H new ATOM 0 HG1 THR B 18 -0.051 -7.496 8.455 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.156 -4.552 10.287 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.556 -4.096 10.127 1.00 0.00 H new ATOM 0 HG23 THR B 18 -1.093 -5.463 11.167 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.321 -8.209 10.660 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.618 -8.896 11.938 1.00 0.00 C ATOM 1170 C GLU B 19 -1.332 -9.146 12.721 1.00 0.00 C ATOM 1171 O GLU B 19 -0.491 -9.955 12.326 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.381 -10.209 11.706 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.918 -10.784 13.017 1.00 0.00 C ATOM 1174 CD GLU B 19 -4.683 -12.072 12.748 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -4.046 -13.148 12.728 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -5.921 -12.005 12.578 1.00 0.00 O ATOM 0 H GLU B 19 -1.602 -8.687 10.116 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.261 -8.243 12.528 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.208 -10.034 11.018 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -2.721 -10.936 11.232 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -3.093 -10.978 13.703 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.571 -10.058 13.501 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.186 -8.419 13.824 1.00 0.00 N ATOM 1184 CA ALA B 20 0.024 -8.323 14.616 1.00 0.00 C ATOM 1185 C ALA B 20 -0.250 -8.557 16.105 1.00 0.00 C ATOM 1186 O ALA B 20 -1.372 -8.387 16.600 1.00 0.00 O ATOM 1187 CB ALA B 20 0.607 -6.930 14.372 1.00 0.00 C ATOM 0 H ALA B 20 -1.947 -7.856 14.203 1.00 0.00 H new ATOM 0 HA ALA B 20 0.732 -9.097 14.318 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.523 -6.812 14.951 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.830 -6.809 13.312 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -0.116 -6.174 14.679 1.00 0.00 H new ATOM 1193 N VAL B 21 0.795 -8.947 16.828 1.00 0.00 N ATOM 1194 CA VAL B 21 0.715 -9.230 18.274 1.00 0.00 C ATOM 1195 C VAL B 21 0.410 -7.964 19.086 1.00 0.00 C ATOM 1196 O VAL B 21 -0.335 -8.032 20.069 1.00 0.00 O ATOM 1197 CB VAL B 21 1.991 -9.938 18.763 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.239 -9.136 18.397 1.00 0.00 C ATOM 1199 CG2 VAL B 21 1.995 -10.240 20.266 1.00 0.00 C ATOM 0 H VAL B 21 1.727 -9.079 16.436 1.00 0.00 H new ATOM 0 HA VAL B 21 -0.121 -9.910 18.437 1.00 0.00 H new ATOM 0 HB VAL B 21 2.003 -10.898 18.247 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.126 -9.659 18.755 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.295 -9.025 17.314 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.187 -8.151 18.861 1.00 0.00 H new ATOM 0 HG21 VAL B 21 2.926 -10.739 20.534 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.909 -9.308 20.825 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.153 -10.888 20.509 1.00 0.00 H new ATOM 1209 N ASP B 22 0.904 -6.795 18.657 1.00 0.00 N ATOM 1210 CA ASP B 22 0.668 -5.476 19.252 1.00 0.00 C ATOM 1211 C ASP B 22 0.879 -4.358 18.208 1.00 0.00 C ATOM 1212 O ASP B 22 1.390 -4.582 17.104 1.00 0.00 O ATOM 1213 CB ASP B 22 1.622 -5.282 20.457 1.00 0.00 C ATOM 1214 CG ASP B 22 3.128 -5.501 20.173 1.00 0.00 C ATOM 1215 OD1 ASP B 22 3.596 -5.227 19.041 1.00 0.00 O ATOM 1216 OD2 ASP B 22 3.847 -5.940 21.102 1.00 0.00 O ATOM 0 H ASP B 22 1.513 -6.743 17.840 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.365 -5.419 19.596 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.488 -4.271 20.841 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.319 -5.967 21.249 1.00 0.00 H new ATOM 1221 N ALA B 23 0.485 -3.145 18.589 1.00 0.00 N ATOM 1222 CA ALA B 23 0.575 -1.943 17.758 1.00 0.00 C ATOM 1223 C ALA B 23 2.005 -1.655 17.257 1.00 0.00 C ATOM 1224 O ALA B 23 2.175 -1.145 16.154 1.00 0.00 O ATOM 1225 CB ALA B 23 0.013 -0.751 18.541 1.00 0.00 C ATOM 0 H ALA B 23 0.083 -2.964 19.509 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.019 -2.114 16.860 1.00 0.00 H new ATOM 0 HB1 ALA B 23 0.076 0.149 17.929 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.029 -0.943 18.798 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.591 -0.610 19.454 1.00 0.00 H new ATOM 1231 N ALA B 24 3.039 -2.025 18.018 1.00 0.00 N ATOM 1232 CA ALA B 24 4.438 -1.828 17.662 1.00 0.00 C ATOM 1233 C ALA B 24 4.905 -2.820 16.585 1.00 0.00 C ATOM 1234 O ALA B 24 5.705 -2.470 15.720 1.00 0.00 O ATOM 1235 CB ALA B 24 5.300 -1.940 18.924 1.00 0.00 C ATOM 0 H ALA B 24 2.918 -2.482 18.922 1.00 0.00 H new ATOM 0 HA ALA B 24 4.548 -0.832 17.234 1.00 0.00 H new ATOM 0 HB1 ALA B 24 6.348 -1.793 18.663 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.995 -1.179 19.642 1.00 0.00 H new ATOM 0 HB3 ALA B 24 5.171 -2.928 19.366 1.00 0.00 H new ATOM 1241 N THR B 25 4.367 -4.039 16.578 1.00 0.00 N ATOM 1242 CA THR B 25 4.555 -5.019 15.499 1.00 0.00 C ATOM 1243 C THR B 25 3.775 -4.623 14.234 1.00 0.00 C ATOM 1244 O THR B 25 4.325 -4.668 13.135 1.00 0.00 O ATOM 1245 CB THR B 25 4.173 -6.426 15.963 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.841 -6.733 17.167 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.535 -7.503 14.936 1.00 0.00 C ATOM 0 H THR B 25 3.776 -4.384 17.335 1.00 0.00 H new ATOM 0 HA THR B 25 5.614 -5.025 15.242 1.00 0.00 H new ATOM 0 HB THR B 25 3.091 -6.425 16.099 1.00 0.00 H new ATOM 0 HG1 THR B 25 4.375 -6.308 17.917 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.242 -8.482 15.316 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.011 -7.305 14.001 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.610 -7.490 14.759 1.00 0.00 H new ATOM 1255 N ALA B 26 2.539 -4.123 14.356 1.00 0.00 N ATOM 1256 CA ALA B 26 1.825 -3.533 13.211 1.00 0.00 C ATOM 1257 C ALA B 26 2.549 -2.300 12.622 1.00 0.00 C ATOM 1258 O ALA B 26 2.691 -2.188 11.406 1.00 0.00 O ATOM 1259 CB ALA B 26 0.399 -3.174 13.626 1.00 0.00 C ATOM 0 H ALA B 26 2.013 -4.114 15.230 1.00 0.00 H new ATOM 0 HA ALA B 26 1.802 -4.282 12.419 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.128 -2.738 12.778 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.122 -4.074 13.953 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.428 -2.454 14.444 1.00 0.00 H new ATOM 1265 N GLU B 27 3.101 -1.444 13.493 1.00 0.00 N ATOM 1266 CA GLU B 27 4.006 -0.341 13.095 1.00 0.00 C ATOM 1267 C GLU B 27 5.280 -0.852 12.445 1.00 0.00 C ATOM 1268 O GLU B 27 5.707 -0.285 11.445 1.00 0.00 O ATOM 1269 CB GLU B 27 4.422 0.586 14.245 1.00 0.00 C ATOM 1270 CG GLU B 27 3.366 1.639 14.552 1.00 0.00 C ATOM 1271 CD GLU B 27 3.991 2.768 15.355 1.00 0.00 C ATOM 1272 OE1 GLU B 27 4.602 3.657 14.719 1.00 0.00 O ATOM 1273 OE2 GLU B 27 3.874 2.763 16.600 1.00 0.00 O ATOM 0 H GLU B 27 2.936 -1.492 14.498 1.00 0.00 H new ATOM 0 HA GLU B 27 3.407 0.232 12.387 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.608 -0.009 15.139 1.00 0.00 H new ATOM 0 HB3 GLU B 27 5.360 1.079 13.989 1.00 0.00 H new ATOM 0 HG2 GLU B 27 2.945 2.028 13.625 1.00 0.00 H new ATOM 0 HG3 GLU B 27 2.544 1.192 15.112 1.00 0.00 H new ATOM 1280 N LYS B 28 5.865 -1.937 12.949 1.00 0.00 N ATOM 1281 CA LYS B 28 7.035 -2.567 12.311 1.00 0.00 C ATOM 1282 C LYS B 28 6.722 -3.047 10.878 1.00 0.00 C ATOM 1283 O LYS B 28 7.501 -2.789 9.956 1.00 0.00 O ATOM 1284 CB LYS B 28 7.556 -3.706 13.207 1.00 0.00 C ATOM 1285 CG LYS B 28 8.750 -4.480 12.625 1.00 0.00 C ATOM 1286 CD LYS B 28 9.159 -5.606 13.590 1.00 0.00 C ATOM 1287 CE LYS B 28 10.314 -6.463 13.054 1.00 0.00 C ATOM 1288 NZ LYS B 28 9.912 -7.337 11.931 1.00 0.00 N ATOM 0 H LYS B 28 5.552 -2.404 13.800 1.00 0.00 H new ATOM 0 HA LYS B 28 7.823 -1.821 12.208 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.845 -3.289 14.172 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.742 -4.406 13.393 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.486 -4.899 11.654 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.590 -3.804 12.463 1.00 0.00 H new ATOM 0 HD2 LYS B 28 9.450 -5.170 14.546 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.297 -6.245 13.780 1.00 0.00 H new ATOM 0 HE2 LYS B 28 11.123 -5.809 12.727 1.00 0.00 H new ATOM 0 HE3 LYS B 28 10.708 -7.078 13.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 10.732 -7.891 11.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 9.160 -7.982 12.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 9.561 -6.753 11.145 1.00 0.00 H new ATOM 1302 N VAL B 29 5.573 -3.698 10.660 1.00 0.00 N ATOM 1303 CA VAL B 29 5.112 -4.062 9.302 1.00 0.00 C ATOM 1304 C VAL B 29 4.839 -2.820 8.437 1.00 0.00 C ATOM 1305 O VAL B 29 5.394 -2.698 7.345 1.00 0.00 O ATOM 1306 CB VAL B 29 3.877 -4.988 9.352 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.335 -5.326 7.957 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.238 -6.322 10.027 1.00 0.00 C ATOM 0 H VAL B 29 4.939 -3.987 11.405 1.00 0.00 H new ATOM 0 HA VAL B 29 5.923 -4.615 8.829 1.00 0.00 H new ATOM 0 HB VAL B 29 3.117 -4.444 9.913 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.468 -5.979 8.052 1.00 0.00 H new ATOM 0 HG12 VAL B 29 3.043 -4.408 7.448 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.108 -5.832 7.379 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.358 -6.965 10.056 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.029 -6.814 9.461 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.583 -6.134 11.044 1.00 0.00 H new ATOM 1318 N PHE B 30 4.054 -1.852 8.914 1.00 0.00 N ATOM 1319 CA PHE B 30 3.732 -0.651 8.132 1.00 0.00 C ATOM 1320 C PHE B 30 4.961 0.219 7.792 1.00 0.00 C ATOM 1321 O PHE B 30 5.056 0.722 6.673 1.00 0.00 O ATOM 1322 CB PHE B 30 2.641 0.175 8.831 1.00 0.00 C ATOM 1323 CG PHE B 30 1.294 -0.514 9.004 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.700 -1.220 7.936 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.607 -0.411 10.230 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.564 -1.817 8.092 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.664 -0.996 10.380 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.253 -1.690 9.309 1.00 0.00 C ATOM 0 H PHE B 30 3.627 -1.874 9.840 1.00 0.00 H new ATOM 0 HA PHE B 30 3.351 -1.005 7.174 1.00 0.00 H new ATOM 0 HB2 PHE B 30 3.007 0.466 9.815 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.488 1.093 8.264 1.00 0.00 H new ATOM 0 HD1 PHE B 30 1.219 -1.302 6.993 1.00 0.00 H new ATOM 0 HD2 PHE B 30 1.057 0.118 11.057 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.004 -2.372 7.277 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.188 -0.912 11.320 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.235 -2.125 9.422 1.00 0.00 H new ATOM 1338 N LYS B 31 5.955 0.334 8.679 1.00 0.00 N ATOM 1339 CA LYS B 31 7.234 0.993 8.358 1.00 0.00 C ATOM 1340 C LYS B 31 8.060 0.243 7.290 1.00 0.00 C ATOM 1341 O LYS B 31 8.905 0.857 6.640 1.00 0.00 O ATOM 1342 CB LYS B 31 8.085 1.222 9.625 1.00 0.00 C ATOM 1343 CG LYS B 31 7.890 2.614 10.254 1.00 0.00 C ATOM 1344 CD LYS B 31 6.533 2.835 10.938 1.00 0.00 C ATOM 1345 CE LYS B 31 6.435 4.292 11.407 1.00 0.00 C ATOM 1346 NZ LYS B 31 5.169 4.567 12.113 1.00 0.00 N ATOM 0 H LYS B 31 5.901 -0.023 9.633 1.00 0.00 H new ATOM 0 HA LYS B 31 6.965 1.959 7.930 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.835 0.460 10.363 1.00 0.00 H new ATOM 0 HB3 LYS B 31 9.138 1.090 9.375 1.00 0.00 H new ATOM 0 HG2 LYS B 31 8.680 2.778 10.987 1.00 0.00 H new ATOM 0 HG3 LYS B 31 8.015 3.368 9.477 1.00 0.00 H new ATOM 0 HD2 LYS B 31 5.722 2.608 10.246 1.00 0.00 H new ATOM 0 HD3 LYS B 31 6.426 2.159 11.787 1.00 0.00 H new ATOM 0 HE2 LYS B 31 7.273 4.516 12.067 1.00 0.00 H new ATOM 0 HE3 LYS B 31 6.520 4.955 10.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.196 5.526 12.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 4.376 4.494 11.444 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 5.041 3.875 12.879 1.00 0.00 H new ATOM 1360 N GLN B 32 7.819 -1.053 7.062 1.00 0.00 N ATOM 1361 CA GLN B 32 8.445 -1.828 5.975 1.00 0.00 C ATOM 1362 C GLN B 32 7.804 -1.547 4.600 1.00 0.00 C ATOM 1363 O GLN B 32 8.520 -1.379 3.611 1.00 0.00 O ATOM 1364 CB GLN B 32 8.393 -3.332 6.317 1.00 0.00 C ATOM 1365 CG GLN B 32 9.779 -3.961 6.507 1.00 0.00 C ATOM 1366 CD GLN B 32 10.650 -3.257 7.532 1.00 0.00 C ATOM 1367 OE1 GLN B 32 11.798 -2.925 7.259 1.00 0.00 O ATOM 1368 NE2 GLN B 32 10.163 -3.012 8.729 1.00 0.00 N ATOM 0 H GLN B 32 7.177 -1.603 7.632 1.00 0.00 H new ATOM 0 HA GLN B 32 9.485 -1.511 5.895 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.811 -3.470 7.228 1.00 0.00 H new ATOM 0 HB3 GLN B 32 7.868 -3.860 5.521 1.00 0.00 H new ATOM 0 HG2 GLN B 32 9.655 -5.002 6.807 1.00 0.00 H new ATOM 0 HG3 GLN B 32 10.298 -3.965 5.548 1.00 0.00 H new ATOM 0 HE21 GLN B 32 9.208 -3.288 8.957 1.00 0.00 H new ATOM 0 HE22 GLN B 32 10.740 -2.546 9.429 1.00 0.00 H new ATOM 1377 N TYR B 33 6.473 -1.440 4.529 1.00 0.00 N ATOM 1378 CA TYR B 33 5.731 -1.118 3.290 1.00 0.00 C ATOM 1379 C TYR B 33 5.734 0.391 2.931 1.00 0.00 C ATOM 1380 O TYR B 33 5.647 0.746 1.755 1.00 0.00 O ATOM 1381 CB TYR B 33 4.287 -1.641 3.409 1.00 0.00 C ATOM 1382 CG TYR B 33 4.149 -3.144 3.203 1.00 0.00 C ATOM 1383 CD1 TYR B 33 4.564 -4.047 4.202 1.00 0.00 C ATOM 1384 CD2 TYR B 33 3.612 -3.648 2.000 1.00 0.00 C ATOM 1385 CE1 TYR B 33 4.450 -5.434 4.002 1.00 0.00 C ATOM 1386 CE2 TYR B 33 3.506 -5.037 1.797 1.00 0.00 C ATOM 1387 CZ TYR B 33 3.920 -5.929 2.800 1.00 0.00 C ATOM 1388 OH TYR B 33 3.798 -7.274 2.624 1.00 0.00 O ATOM 0 H TYR B 33 5.866 -1.575 5.338 1.00 0.00 H new ATOM 0 HA TYR B 33 6.251 -1.616 2.472 1.00 0.00 H new ATOM 0 HB2 TYR B 33 3.899 -1.383 4.395 1.00 0.00 H new ATOM 0 HB3 TYR B 33 3.664 -1.126 2.677 1.00 0.00 H new ATOM 0 HD1 TYR B 33 4.973 -3.671 5.128 1.00 0.00 H new ATOM 0 HD2 TYR B 33 3.281 -2.965 1.231 1.00 0.00 H new ATOM 0 HE1 TYR B 33 4.770 -6.119 4.773 1.00 0.00 H new ATOM 0 HE2 TYR B 33 3.106 -5.417 0.869 1.00 0.00 H new ATOM 0 HH TYR B 33 3.206 -7.452 1.863 1.00 0.00 H new ATOM 1398 N PHE B 34 5.872 1.254 3.943 1.00 0.00 N ATOM 1399 CA PHE B 34 5.727 2.720 3.841 1.00 0.00 C ATOM 1400 C PHE B 34 6.975 3.520 4.293 1.00 0.00 C ATOM 1401 O PHE B 34 6.878 4.667 4.739 1.00 0.00 O ATOM 1402 CB PHE B 34 4.408 3.166 4.497 1.00 0.00 C ATOM 1403 CG PHE B 34 3.193 2.498 3.874 1.00 0.00 C ATOM 1404 CD1 PHE B 34 2.809 2.841 2.562 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.494 1.485 4.560 1.00 0.00 C ATOM 1406 CE1 PHE B 34 1.747 2.166 1.936 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.430 0.810 3.933 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.060 1.151 2.621 1.00 0.00 C ATOM 0 H PHE B 34 6.095 0.946 4.890 1.00 0.00 H new ATOM 0 HA PHE B 34 5.664 2.971 2.782 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.439 2.935 5.562 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.309 4.248 4.408 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.333 3.625 2.036 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.776 1.226 5.570 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.459 2.428 0.928 1.00 0.00 H new ATOM 0 HE2 PHE B 34 0.899 0.031 4.460 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.245 0.631 2.138 1.00 0.00 H new ATOM 1418 N ASN B 35 8.157 2.898 4.203 1.00 0.00 N ATOM 1419 CA ASN B 35 9.453 3.427 4.654 1.00 0.00 C ATOM 1420 C ASN B 35 9.842 4.855 4.181 1.00 0.00 C ATOM 1421 O ASN B 35 10.429 5.608 4.966 1.00 0.00 O ATOM 1422 CB ASN B 35 10.552 2.400 4.325 1.00 0.00 C ATOM 1423 CG ASN B 35 11.034 2.414 2.883 1.00 0.00 C ATOM 1424 OD1 ASN B 35 10.267 2.457 1.929 1.00 0.00 O ATOM 1425 ND2 ASN B 35 12.335 2.374 2.694 1.00 0.00 N ATOM 0 H ASN B 35 8.241 1.967 3.794 1.00 0.00 H new ATOM 0 HA ASN B 35 9.345 3.567 5.730 1.00 0.00 H new ATOM 0 HB2 ASN B 35 11.405 2.581 4.979 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.178 1.403 4.558 1.00 0.00 H new ATOM 0 HD21 ASN B 35 12.713 2.379 1.747 1.00 0.00 H new ATOM 0 HD22 ASN B 35 12.966 2.338 3.495 1.00 0.00 H new ATOM 1432 N ASP B 36 9.540 5.235 2.930 1.00 0.00 N ATOM 1433 CA ASP B 36 9.805 6.571 2.350 1.00 0.00 C ATOM 1434 C ASP B 36 8.957 6.829 1.096 1.00 0.00 C ATOM 1435 O ASP B 36 8.139 7.748 1.099 1.00 0.00 O ATOM 1436 CB ASP B 36 11.307 6.723 2.020 1.00 0.00 C ATOM 1437 CG ASP B 36 11.647 8.073 1.353 1.00 0.00 C ATOM 1438 OD1 ASP B 36 11.525 8.167 0.108 1.00 0.00 O ATOM 1439 OD2 ASP B 36 12.042 9.025 2.069 1.00 0.00 O ATOM 0 H ASP B 36 9.089 4.603 2.268 1.00 0.00 H new ATOM 0 HA ASP B 36 9.524 7.314 3.096 1.00 0.00 H new ATOM 0 HB2 ASP B 36 11.886 6.622 2.938 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.612 5.911 1.359 1.00 0.00 H new ATOM 1444 N ASN B 37 9.112 5.996 0.056 1.00 0.00 N ATOM 1445 CA ASN B 37 8.284 5.925 -1.167 1.00 0.00 C ATOM 1446 C ASN B 37 8.054 7.284 -1.886 1.00 0.00 C ATOM 1447 O ASN B 37 7.024 7.535 -2.518 1.00 0.00 O ATOM 1448 CB ASN B 37 7.012 5.112 -0.870 1.00 0.00 C ATOM 1449 CG ASN B 37 7.298 3.904 0.002 1.00 0.00 C ATOM 1450 OD1 ASN B 37 7.168 3.954 1.218 1.00 0.00 O ATOM 1451 ND2 ASN B 37 7.761 2.817 -0.572 1.00 0.00 N ATOM 0 H ASN B 37 9.865 5.309 0.041 1.00 0.00 H new ATOM 0 HA ASN B 37 8.850 5.388 -1.928 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.281 5.751 -0.375 1.00 0.00 H new ATOM 0 HB3 ASN B 37 6.565 4.784 -1.808 1.00 0.00 H new ATOM 0 HD21 ASN B 37 8.014 2.009 -0.004 1.00 0.00 H new ATOM 0 HD22 ASN B 37 7.867 2.781 -1.586 1.00 0.00 H new ATOM 1458 N GLY B 38 9.049 8.163 -1.739 1.00 0.00 N ATOM 1459 CA GLY B 38 9.045 9.579 -2.137 1.00 0.00 C ATOM 1460 C GLY B 38 7.795 10.361 -1.686 1.00 0.00 C ATOM 1461 O GLY B 38 7.340 11.263 -2.395 1.00 0.00 O ATOM 0 H GLY B 38 9.935 7.891 -1.313 1.00 0.00 H new ATOM 0 HA2 GLY B 38 9.930 10.063 -1.724 1.00 0.00 H new ATOM 0 HA3 GLY B 38 9.125 9.640 -3.222 1.00 0.00 H new ATOM 1465 N VAL B 39 7.226 10.003 -0.528 1.00 0.00 N ATOM 1466 CA VAL B 39 6.018 10.601 0.080 1.00 0.00 C ATOM 1467 C VAL B 39 6.278 11.046 1.528 1.00 0.00 C ATOM 1468 O VAL B 39 5.919 12.170 1.884 1.00 0.00 O ATOM 1469 CB VAL B 39 4.800 9.649 -0.031 1.00 0.00 C ATOM 1470 CG1 VAL B 39 4.987 8.279 0.636 1.00 0.00 C ATOM 1471 CG2 VAL B 39 3.513 10.259 0.533 1.00 0.00 C ATOM 0 H VAL B 39 7.611 9.251 0.044 1.00 0.00 H new ATOM 0 HA VAL B 39 5.771 11.499 -0.486 1.00 0.00 H new ATOM 0 HB VAL B 39 4.717 9.501 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.083 7.684 0.506 1.00 0.00 H new ATOM 0 HG12 VAL B 39 5.830 7.763 0.177 1.00 0.00 H new ATOM 0 HG13 VAL B 39 5.181 8.416 1.700 1.00 0.00 H new ATOM 0 HG21 VAL B 39 2.696 9.546 0.427 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.654 10.495 1.588 1.00 0.00 H new ATOM 0 HG23 VAL B 39 3.272 11.171 -0.014 1.00 0.00 H new ATOM 1481 N ASP B 40 6.986 10.228 2.328 1.00 0.00 N ATOM 1482 CA ASP B 40 7.447 10.500 3.709 1.00 0.00 C ATOM 1483 C ASP B 40 6.471 11.334 4.574 1.00 0.00 C ATOM 1484 O ASP B 40 6.843 12.334 5.197 1.00 0.00 O ATOM 1485 CB ASP B 40 8.875 11.085 3.648 1.00 0.00 C ATOM 1486 CG ASP B 40 9.578 11.214 5.019 1.00 0.00 C ATOM 1487 OD1 ASP B 40 9.464 10.288 5.860 1.00 0.00 O ATOM 1488 OD2 ASP B 40 10.282 12.231 5.243 1.00 0.00 O ATOM 0 H ASP B 40 7.271 9.301 2.011 1.00 0.00 H new ATOM 0 HA ASP B 40 7.469 9.550 4.244 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.484 10.455 3.000 1.00 0.00 H new ATOM 0 HB3 ASP B 40 8.830 12.070 3.184 1.00 0.00 H new ATOM 1493 N GLY B 41 5.189 10.959 4.547 1.00 0.00 N ATOM 1494 CA GLY B 41 4.095 11.730 5.153 1.00 0.00 C ATOM 1495 C GLY B 41 4.083 11.742 6.691 1.00 0.00 C ATOM 1496 O GLY B 41 4.739 10.931 7.352 1.00 0.00 O ATOM 0 H GLY B 41 4.875 10.099 4.097 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.155 12.758 4.797 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.146 11.325 4.800 1.00 0.00 H new ATOM 1500 N GLU B 42 3.296 12.656 7.266 1.00 0.00 N ATOM 1501 CA GLU B 42 3.006 12.755 8.712 1.00 0.00 C ATOM 1502 C GLU B 42 2.159 11.570 9.181 1.00 0.00 C ATOM 1503 O GLU B 42 1.040 11.383 8.705 1.00 0.00 O ATOM 1504 CB GLU B 42 2.285 14.078 9.012 1.00 0.00 C ATOM 1505 CG GLU B 42 2.085 14.310 10.510 1.00 0.00 C ATOM 1506 CD GLU B 42 1.519 15.703 10.746 1.00 0.00 C ATOM 1507 OE1 GLU B 42 0.279 15.862 10.691 1.00 0.00 O ATOM 1508 OE2 GLU B 42 2.316 16.634 11.000 1.00 0.00 O ATOM 0 H GLU B 42 2.822 13.378 6.723 1.00 0.00 H new ATOM 0 HA GLU B 42 3.950 12.732 9.256 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.860 14.904 8.593 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.315 14.080 8.515 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.408 13.559 10.916 1.00 0.00 H new ATOM 0 HG3 GLU B 42 3.034 14.200 11.034 1.00 0.00 H new ATOM 1515 N TRP B 43 2.688 10.771 10.108 1.00 0.00 N ATOM 1516 CA TRP B 43 1.974 9.635 10.706 1.00 0.00 C ATOM 1517 C TRP B 43 1.014 10.088 11.829 1.00 0.00 C ATOM 1518 O TRP B 43 1.318 11.003 12.601 1.00 0.00 O ATOM 1519 CB TRP B 43 2.985 8.605 11.234 1.00 0.00 C ATOM 1520 CG TRP B 43 3.746 7.843 10.185 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.748 8.338 9.424 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.591 6.448 9.767 1.00 0.00 C ATOM 1523 NE1 TRP B 43 5.218 7.363 8.568 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.546 6.174 8.740 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.747 5.380 10.153 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.666 4.915 8.135 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.862 4.108 9.557 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.814 3.878 8.547 1.00 0.00 C ATOM 0 H TRP B 43 3.634 10.893 10.471 1.00 0.00 H new ATOM 0 HA TRP B 43 1.363 9.172 9.931 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.701 9.121 11.874 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.453 7.890 11.862 1.00 0.00 H new ATOM 0 HD1 TRP B 43 5.125 9.349 9.478 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.969 7.505 7.893 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.002 5.542 10.918 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 5.403 4.745 7.364 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.215 3.305 9.878 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.889 2.903 8.088 1.00 0.00 H new ATOM 1539 N THR B 44 -0.144 9.437 11.928 1.00 0.00 N ATOM 1540 CA THR B 44 -1.183 9.609 12.968 1.00 0.00 C ATOM 1541 C THR B 44 -1.733 8.225 13.375 1.00 0.00 C ATOM 1542 O THR B 44 -1.660 7.292 12.570 1.00 0.00 O ATOM 1543 CB THR B 44 -2.338 10.484 12.427 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.858 11.656 11.799 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.332 10.941 13.499 1.00 0.00 C ATOM 0 H THR B 44 -0.408 8.727 11.245 1.00 0.00 H new ATOM 0 HA THR B 44 -0.742 10.100 13.835 1.00 0.00 H new ATOM 0 HB THR B 44 -2.848 9.829 11.721 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.615 12.183 11.468 1.00 0.00 H new ATOM 0 HG21 THR B 44 -4.110 11.549 13.038 1.00 0.00 H new ATOM 0 HG22 THR B 44 -3.785 10.069 13.971 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.809 11.531 14.252 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.310 8.061 14.573 1.00 0.00 N ATOM 1554 CA TYR B 45 -2.917 6.797 15.044 1.00 0.00 C ATOM 1555 C TYR B 45 -4.166 7.011 15.928 1.00 0.00 C ATOM 1556 O TYR B 45 -4.203 7.928 16.755 1.00 0.00 O ATOM 1557 CB TYR B 45 -1.858 6.003 15.829 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.357 4.723 16.485 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -2.793 3.642 15.695 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.381 4.604 17.890 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.234 2.450 16.299 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -2.828 3.413 18.493 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.253 2.336 17.698 1.00 0.00 C ATOM 1564 OH TYR B 45 -3.681 1.181 18.280 1.00 0.00 O ATOM 0 H TYR B 45 -2.372 8.814 15.259 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.251 6.247 14.164 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -1.042 5.750 15.152 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.442 6.649 16.602 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.789 3.728 14.618 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.055 5.429 18.506 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.558 1.622 15.686 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -2.844 3.327 19.569 1.00 0.00 H new ATOM 0 HH TYR B 45 -4.054 1.379 19.165 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.168 6.140 15.767 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.383 6.015 16.595 1.00 0.00 C ATOM 1576 C ASP B 46 -6.456 4.637 17.264 1.00 0.00 C ATOM 1577 O ASP B 46 -6.548 3.621 16.568 1.00 0.00 O ATOM 1578 CB ASP B 46 -7.629 6.223 15.713 1.00 0.00 C ATOM 1579 CG ASP B 46 -8.889 6.563 16.529 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -9.348 5.695 17.304 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -9.414 7.695 16.395 1.00 0.00 O ATOM 0 H ASP B 46 -5.156 5.458 15.008 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.346 6.775 17.376 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.435 7.026 15.002 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -7.812 5.319 15.131 1.00 0.00 H new ATOM 1586 N ASP B 47 -6.429 4.568 18.599 1.00 0.00 N ATOM 1587 CA ASP B 47 -6.462 3.294 19.341 1.00 0.00 C ATOM 1588 C ASP B 47 -7.875 2.697 19.483 1.00 0.00 C ATOM 1589 O ASP B 47 -8.034 1.483 19.577 1.00 0.00 O ATOM 1590 CB ASP B 47 -5.799 3.524 20.714 1.00 0.00 C ATOM 1591 CG ASP B 47 -5.403 2.215 21.415 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -4.629 1.425 20.823 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -5.897 1.953 22.537 1.00 0.00 O ATOM 0 H ASP B 47 -6.384 5.391 19.200 1.00 0.00 H new ATOM 0 HA ASP B 47 -5.908 2.549 18.770 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -4.911 4.143 20.584 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -6.484 4.080 21.354 1.00 0.00 H new ATOM 1598 N ALA B 48 -8.914 3.527 19.440 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.327 3.100 19.490 1.00 0.00 C ATOM 1600 C ALA B 48 -10.823 2.404 18.198 1.00 0.00 C ATOM 1601 O ALA B 48 -11.877 1.763 18.186 1.00 0.00 O ATOM 1602 CB ALA B 48 -11.202 4.321 19.797 1.00 0.00 C ATOM 0 H ALA B 48 -8.805 4.539 19.368 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.405 2.350 20.277 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -12.248 4.018 19.836 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.911 4.745 20.758 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.070 5.069 19.015 1.00 0.00 H new ATOM 1608 N THR B 49 -10.048 2.557 17.124 1.00 0.00 N ATOM 1609 CA THR B 49 -10.229 1.803 15.869 1.00 0.00 C ATOM 1610 C THR B 49 -8.964 1.111 15.312 1.00 0.00 C ATOM 1611 O THR B 49 -8.970 0.595 14.194 1.00 0.00 O ATOM 1612 CB THR B 49 -11.083 2.612 14.868 1.00 0.00 C ATOM 1613 OG1 THR B 49 -11.648 1.806 13.858 1.00 0.00 O ATOM 1614 CG2 THR B 49 -10.364 3.790 14.226 1.00 0.00 C ATOM 0 H THR B 49 -9.267 3.213 17.094 1.00 0.00 H new ATOM 0 HA THR B 49 -10.816 0.916 16.107 1.00 0.00 H new ATOM 0 HB THR B 49 -11.878 3.021 15.492 1.00 0.00 H new ATOM 0 HG1 THR B 49 -10.997 1.130 13.577 1.00 0.00 H new ATOM 0 HG21 THR B 49 -11.040 4.298 13.539 1.00 0.00 H new ATOM 0 HG22 THR B 49 -10.043 4.486 15.001 1.00 0.00 H new ATOM 0 HG23 THR B 49 -9.493 3.430 13.678 1.00 0.00 H new ATOM 1622 N LYS B 50 -7.863 1.055 16.083 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.614 0.351 15.731 1.00 0.00 C ATOM 1624 C LYS B 50 -6.060 0.742 14.349 1.00 0.00 C ATOM 1625 O LYS B 50 -5.513 -0.083 13.611 1.00 0.00 O ATOM 1626 CB LYS B 50 -6.779 -1.172 15.915 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.223 -1.616 17.318 1.00 0.00 C ATOM 1628 CD LYS B 50 -6.347 -1.016 18.425 1.00 0.00 C ATOM 1629 CE LYS B 50 -6.662 -1.643 19.788 1.00 0.00 C ATOM 1630 NZ LYS B 50 -6.534 -0.674 20.888 1.00 0.00 N ATOM 0 H LYS B 50 -7.815 1.511 16.994 1.00 0.00 H new ATOM 0 HA LYS B 50 -5.846 0.683 16.430 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.508 -1.533 15.189 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -5.830 -1.655 15.681 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.260 -1.321 17.479 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.188 -2.704 17.380 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.296 -1.173 18.185 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.505 0.061 18.473 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -7.675 -2.045 19.776 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -5.989 -2.482 19.965 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -6.773 -1.137 21.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -5.556 -0.322 20.928 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -7.183 0.123 20.726 1.00 0.00 H new ATOM 1644 N THR B 51 -6.232 2.015 13.986 1.00 0.00 N ATOM 1645 CA THR B 51 -5.955 2.490 12.617 1.00 0.00 C ATOM 1646 C THR B 51 -4.906 3.599 12.605 1.00 0.00 C ATOM 1647 O THR B 51 -4.973 4.554 13.379 1.00 0.00 O ATOM 1648 CB THR B 51 -7.246 2.950 11.914 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.169 1.885 11.801 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.019 3.464 10.488 1.00 0.00 C ATOM 0 H THR B 51 -6.563 2.743 14.620 1.00 0.00 H new ATOM 0 HA THR B 51 -5.548 1.646 12.060 1.00 0.00 H new ATOM 0 HB THR B 51 -7.623 3.759 12.540 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.375 1.535 12.693 1.00 0.00 H new ATOM 0 HG21 THR B 51 -7.972 3.770 10.056 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.341 4.317 10.512 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.583 2.671 9.880 1.00 0.00 H new ATOM 1658 N PHE B 52 -3.945 3.479 11.695 1.00 0.00 N ATOM 1659 CA PHE B 52 -2.872 4.426 11.410 1.00 0.00 C ATOM 1660 C PHE B 52 -3.201 5.196 10.119 1.00 0.00 C ATOM 1661 O PHE B 52 -3.813 4.656 9.197 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.547 3.668 11.241 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.036 2.988 12.497 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.421 1.667 12.800 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.173 3.679 13.369 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -0.952 1.042 13.968 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.285 3.059 14.544 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.106 1.742 14.845 1.00 0.00 C ATOM 0 H PHE B 52 -3.892 2.657 11.093 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.777 5.130 12.237 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -1.673 2.915 10.463 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -0.788 4.366 10.889 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.080 1.132 12.132 1.00 0.00 H new ATOM 0 HD2 PHE B 52 0.137 4.687 13.135 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.241 0.026 14.191 1.00 0.00 H new ATOM 0 HE2 PHE B 52 0.938 3.595 15.217 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.244 1.268 15.750 1.00 0.00 H new ATOM 1678 N THR B 53 -2.815 6.465 10.046 1.00 0.00 N ATOM 1679 CA THR B 53 -2.991 7.311 8.852 1.00 0.00 C ATOM 1680 C THR B 53 -1.676 8.012 8.497 1.00 0.00 C ATOM 1681 O THR B 53 -0.933 8.428 9.387 1.00 0.00 O ATOM 1682 CB THR B 53 -4.110 8.349 9.084 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.314 7.718 9.464 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.431 9.195 7.851 1.00 0.00 C ATOM 0 H THR B 53 -2.364 6.950 10.821 1.00 0.00 H new ATOM 0 HA THR B 53 -3.281 6.674 8.017 1.00 0.00 H new ATOM 0 HB THR B 53 -3.723 8.997 9.870 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.007 8.396 9.607 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.226 9.901 8.091 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.540 9.743 7.544 1.00 0.00 H new ATOM 0 HG23 THR B 53 -4.756 8.545 7.038 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.397 8.154 7.201 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.218 8.841 6.632 1.00 0.00 C ATOM 1694 C VAL B 54 -0.687 9.896 5.630 1.00 0.00 C ATOM 1695 O VAL B 54 -1.506 9.598 4.759 1.00 0.00 O ATOM 1696 CB VAL B 54 0.756 7.850 5.959 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.989 8.568 5.387 1.00 0.00 C ATOM 1698 CG2 VAL B 54 1.261 6.811 6.967 1.00 0.00 C ATOM 0 H VAL B 54 -2.011 7.778 6.478 1.00 0.00 H new ATOM 0 HA VAL B 54 0.327 9.320 7.445 1.00 0.00 H new ATOM 0 HB VAL B 54 0.198 7.369 5.155 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.651 7.838 4.921 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.672 9.298 4.642 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.519 9.078 6.192 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.946 6.124 6.469 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.782 7.316 7.780 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.415 6.253 7.369 1.00 0.00 H new ATOM 1708 N THR B 55 -0.198 11.128 5.771 1.00 0.00 N ATOM 1709 CA THR B 55 -0.604 12.275 4.934 1.00 0.00 C ATOM 1710 C THR B 55 0.614 13.088 4.462 1.00 0.00 C ATOM 1711 O THR B 55 1.454 13.487 5.274 1.00 0.00 O ATOM 1712 CB THR B 55 -1.648 13.158 5.648 1.00 0.00 C ATOM 1713 OG1 THR B 55 -2.780 12.400 6.018 1.00 0.00 O ATOM 1714 CG2 THR B 55 -2.163 14.307 4.778 1.00 0.00 C ATOM 0 H THR B 55 0.499 11.368 6.475 1.00 0.00 H new ATOM 0 HA THR B 55 -1.085 11.875 4.042 1.00 0.00 H new ATOM 0 HB THR B 55 -1.127 13.563 6.516 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.428 12.979 6.470 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.894 14.889 5.339 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.330 14.949 4.493 1.00 0.00 H new ATOM 0 HG23 THR B 55 -2.633 13.902 3.882 1.00 0.00 H new ATOM 1722 N GLU B 56 0.715 13.303 3.145 1.00 0.00 N ATOM 1723 CA GLU B 56 1.772 14.079 2.475 1.00 0.00 C ATOM 1724 C GLU B 56 1.673 15.580 2.774 1.00 0.00 C ATOM 1725 O GLU B 56 0.589 16.165 2.562 1.00 0.00 O ATOM 1726 CB GLU B 56 1.775 13.811 0.964 1.00 0.00 C ATOM 1727 CG GLU B 56 3.164 14.110 0.407 1.00 0.00 C ATOM 1728 CD GLU B 56 3.257 13.980 -1.106 1.00 0.00 C ATOM 1729 OE1 GLU B 56 2.547 13.135 -1.692 1.00 0.00 O ATOM 1730 OE2 GLU B 56 4.065 14.727 -1.700 1.00 0.00 O ATOM 1731 OXT GLU B 56 2.684 16.158 3.228 1.00 0.00 O ATOM 0 H GLU B 56 0.034 12.926 2.486 1.00 0.00 H new ATOM 0 HA GLU B 56 2.724 13.741 2.883 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.505 12.774 0.765 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.030 14.434 0.470 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.451 15.122 0.694 1.00 0.00 H new ATOM 0 HG3 GLU B 56 3.884 13.432 0.866 1.00 0.00 H new