USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 134:sc= -0.131 (180deg=-0.668) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0568 X(o=-0.057,f=-0.26) USER MOD Single : A 13 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.043) USER MOD Single : A 15 LYS NZ :NH3+ -165:sc= 0.617 (180deg=0.5) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -2.24 K(o=-2.2,f=-4.1!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 67:sc= 1.24 USER MOD Single : A 24 ASN :FLIP amide:sc= -1.53 F(o=-4!,f=-1.5) USER MOD Single : A 25 MET CE :methyl -136:sc= 0 (180deg=-0.773) USER MOD Single : A 28 THR OG1 : rot 84:sc= 0.597 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.504 F(o=-2.6!,f=-0.5) USER MOD Single : B 103 LYS NZ :NH3+ 156:sc= -0.313 (180deg=-0.829) USER MOD Single : B 104 LYS NZ :NH3+ 172:sc=-0.00757 (180deg=-0.0967) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.068) USER MOD Single : B 113 ASN : amide:sc= -1.59 K(o=-1.6,f=-3.1!) USER MOD Single : B 115 LYS NZ :NH3+ -166:sc= 0.694 (180deg=0.575) USER MOD Single : B 117 LYS NZ :NH3+ 169:sc= -0.0175 (180deg=-0.175) USER MOD Single : B 119 GLN : amide:sc= -2.94 X(o=-2.9,f=-3.1!) USER MOD Single : B 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 123 THR OG1 : rot 74:sc= 1.25 USER MOD Single : B 124 ASN :FLIP amide:sc= -1.62! C(o=-4.1!,f=-1.6!) USER MOD Single : B 125 MET CE :methyl -158:sc= -0.173 (180deg=-0.843) USER MOD Single : B 128 THR OG1 : rot 79:sc= 1.21 USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 133 GLN :FLIP amide:sc= -0.409 F(o=-2.3,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 10.179 -7.681 22.531 1.00 0.23 N ATOM 36 CA LYS A 3 9.016 -6.767 22.424 1.00 14.21 C ATOM 37 C LYS A 3 9.240 -5.737 21.289 1.00 13.45 C ATOM 38 O LYS A 3 8.297 -5.336 20.605 1.00 3.34 O ATOM 39 CB LYS A 3 8.713 -6.074 23.794 1.00 12.20 C ATOM 40 CG LYS A 3 9.496 -4.774 24.154 1.00 3.03 C ATOM 41 CD LYS A 3 11.043 -4.894 24.084 1.00 21.33 C ATOM 42 CE LYS A 3 11.762 -3.846 24.930 1.00 70.31 C ATOM 43 NZ LYS A 3 11.345 -3.873 26.361 1.00 74.30 N ATOM 0 HA LYS A 3 8.135 -7.356 22.167 1.00 14.21 H new ATOM 0 HB2 LYS A 3 7.649 -5.839 23.820 1.00 12.20 H new ATOM 0 HB3 LYS A 3 8.898 -6.803 24.583 1.00 12.20 H new ATOM 0 HG2 LYS A 3 9.178 -3.979 23.480 1.00 3.03 H new ATOM 0 HG3 LYS A 3 9.216 -4.468 25.162 1.00 3.03 H new ATOM 0 HD2 LYS A 3 11.340 -5.888 24.418 1.00 21.33 H new ATOM 0 HD3 LYS A 3 11.363 -4.797 23.046 1.00 21.33 H new ATOM 0 HE2 LYS A 3 12.838 -4.010 24.867 1.00 70.31 H new ATOM 0 HE3 LYS A 3 11.566 -2.856 24.518 1.00 70.31 H new ATOM 0 HZ1 LYS A 3 12.188 -3.831 26.969 1.00 74.30 H new ATOM 0 HZ2 LYS A 3 10.734 -3.055 26.560 1.00 74.30 H new ATOM 0 HZ3 LYS A 3 10.822 -4.751 26.554 1.00 74.30 H new ATOM 57 N LYS A 4 10.524 -5.350 21.099 1.00 52.33 N ATOM 58 CA LYS A 4 10.934 -4.392 20.060 1.00 4.23 C ATOM 59 C LYS A 4 11.048 -5.096 18.716 1.00 15.34 C ATOM 60 O LYS A 4 10.814 -4.476 17.701 1.00 1.14 O ATOM 61 CB LYS A 4 12.252 -3.647 20.456 1.00 3.31 C ATOM 62 CG LYS A 4 13.521 -4.520 20.646 1.00 40.43 C ATOM 63 CD LYS A 4 14.402 -4.691 19.380 1.00 15.43 C ATOM 64 CE LYS A 4 14.995 -3.376 18.863 1.00 53.23 C ATOM 65 NZ LYS A 4 15.868 -3.596 17.678 1.00 73.44 N ATOM 0 H LYS A 4 11.299 -5.696 21.664 1.00 52.33 H new ATOM 0 HA LYS A 4 10.165 -3.624 19.969 1.00 4.23 H new ATOM 0 HB2 LYS A 4 12.464 -2.902 19.689 1.00 3.31 H new ATOM 0 HB3 LYS A 4 12.070 -3.106 21.385 1.00 3.31 H new ATOM 0 HG2 LYS A 4 14.130 -4.080 21.436 1.00 40.43 H new ATOM 0 HG3 LYS A 4 13.215 -5.507 20.992 1.00 40.43 H new ATOM 0 HD2 LYS A 4 15.214 -5.383 19.603 1.00 15.43 H new ATOM 0 HD3 LYS A 4 13.804 -5.146 18.590 1.00 15.43 H new ATOM 0 HE2 LYS A 4 14.189 -2.692 18.599 1.00 53.23 H new ATOM 0 HE3 LYS A 4 15.571 -2.899 19.656 1.00 53.23 H new ATOM 0 HZ1 LYS A 4 16.252 -2.685 17.355 1.00 73.44 H new ATOM 0 HZ2 LYS A 4 16.651 -4.229 17.937 1.00 73.44 H new ATOM 0 HZ3 LYS A 4 15.312 -4.028 16.913 1.00 73.44 H new ATOM 79 N LEU A 5 11.404 -6.404 18.730 1.00 75.35 N ATOM 80 CA LEU A 5 11.426 -7.243 17.512 1.00 5.34 C ATOM 81 C LEU A 5 10.042 -7.239 16.838 1.00 64.12 C ATOM 82 O LEU A 5 9.918 -7.090 15.606 1.00 14.43 O ATOM 83 CB LEU A 5 11.818 -8.698 17.866 1.00 24.55 C ATOM 84 CG LEU A 5 12.062 -9.642 16.648 1.00 62.34 C ATOM 85 CD1 LEU A 5 13.364 -9.259 15.909 1.00 33.13 C ATOM 86 CD2 LEU A 5 12.049 -11.132 17.065 1.00 14.42 C ATOM 0 H LEU A 5 11.681 -6.900 19.577 1.00 75.35 H new ATOM 0 HA LEU A 5 12.165 -6.829 16.825 1.00 5.34 H new ATOM 0 HB2 LEU A 5 12.723 -8.675 18.473 1.00 24.55 H new ATOM 0 HB3 LEU A 5 11.030 -9.128 18.485 1.00 24.55 H new ATOM 0 HG LEU A 5 11.235 -9.508 15.950 1.00 62.34 H new ATOM 0 HD11 LEU A 5 13.514 -9.931 15.064 1.00 33.13 H new ATOM 0 HD12 LEU A 5 13.289 -8.233 15.549 1.00 33.13 H new ATOM 0 HD13 LEU A 5 14.209 -9.343 16.593 1.00 33.13 H new ATOM 0 HD21 LEU A 5 12.222 -11.757 16.189 1.00 14.42 H new ATOM 0 HD22 LEU A 5 12.834 -11.311 17.799 1.00 14.42 H new ATOM 0 HD23 LEU A 5 11.081 -11.379 17.501 1.00 14.42 H new ATOM 98 N TYR A 6 9.013 -7.397 17.697 1.00 11.42 N ATOM 99 CA TYR A 6 7.601 -7.284 17.322 1.00 43.22 C ATOM 100 C TYR A 6 7.335 -5.935 16.634 1.00 1.22 C ATOM 101 O TYR A 6 6.798 -5.890 15.530 1.00 61.32 O ATOM 102 CB TYR A 6 6.724 -7.455 18.602 1.00 25.24 C ATOM 103 CG TYR A 6 5.236 -7.742 18.334 1.00 75.22 C ATOM 104 CD1 TYR A 6 4.772 -9.056 18.224 1.00 30.11 C ATOM 105 CD2 TYR A 6 4.301 -6.715 18.166 1.00 12.01 C ATOM 106 CE1 TYR A 6 3.448 -9.337 17.954 1.00 52.25 C ATOM 107 CE2 TYR A 6 2.969 -6.996 17.903 1.00 63.34 C ATOM 108 CZ TYR A 6 2.550 -8.303 17.794 1.00 42.34 C ATOM 109 OH TYR A 6 1.225 -8.573 17.513 1.00 50.12 O ATOM 0 H TYR A 6 9.150 -7.610 18.685 1.00 11.42 H new ATOM 0 HA TYR A 6 7.342 -8.067 16.610 1.00 43.22 H new ATOM 0 HB2 TYR A 6 7.134 -8.269 19.200 1.00 25.24 H new ATOM 0 HB3 TYR A 6 6.802 -6.548 19.202 1.00 25.24 H new ATOM 0 HD1 TYR A 6 5.467 -9.872 18.354 1.00 30.11 H new ATOM 0 HD2 TYR A 6 4.622 -5.687 18.242 1.00 12.01 H new ATOM 0 HE1 TYR A 6 3.117 -10.361 17.868 1.00 52.25 H new ATOM 0 HE2 TYR A 6 2.260 -6.190 17.784 1.00 63.34 H new ATOM 0 HH TYR A 6 0.730 -7.731 17.433 1.00 50.12 H new ATOM 119 N GLU A 7 7.804 -4.865 17.286 1.00 2.21 N ATOM 120 CA GLU A 7 7.593 -3.475 16.855 1.00 52.54 C ATOM 121 C GLU A 7 8.326 -3.128 15.550 1.00 10.33 C ATOM 122 O GLU A 7 7.810 -2.343 14.771 1.00 12.11 O ATOM 123 CB GLU A 7 8.031 -2.525 17.996 1.00 21.02 C ATOM 124 CG GLU A 7 7.118 -2.613 19.234 1.00 31.01 C ATOM 125 CD GLU A 7 7.586 -1.746 20.411 1.00 23.42 C ATOM 126 OE1 GLU A 7 8.509 -2.164 21.137 1.00 50.14 O ATOM 127 OE2 GLU A 7 7.032 -0.644 20.618 1.00 65.24 O ATOM 0 H GLU A 7 8.351 -4.940 18.144 1.00 2.21 H new ATOM 0 HA GLU A 7 6.531 -3.351 16.642 1.00 52.54 H new ATOM 0 HB2 GLU A 7 9.054 -2.763 18.288 1.00 21.02 H new ATOM 0 HB3 GLU A 7 8.036 -1.500 17.626 1.00 21.02 H new ATOM 0 HG2 GLU A 7 6.109 -2.312 18.952 1.00 31.01 H new ATOM 0 HG3 GLU A 7 7.062 -3.652 19.560 1.00 31.01 H new ATOM 134 N GLN A 8 9.525 -3.703 15.323 1.00 70.11 N ATOM 135 CA GLN A 8 10.342 -3.391 14.125 1.00 21.50 C ATOM 136 C GLN A 8 9.651 -3.850 12.837 1.00 11.22 C ATOM 137 O GLN A 8 9.322 -3.009 11.982 1.00 62.24 O ATOM 138 CB GLN A 8 11.780 -3.981 14.208 1.00 45.43 C ATOM 139 CG GLN A 8 12.611 -3.505 15.424 1.00 25.34 C ATOM 140 CD GLN A 8 12.412 -2.025 15.781 1.00 30.01 C ATOM 141 OE1 GLN A 8 13.127 -1.144 15.294 1.00 70.43 O ATOM 142 NE2 GLN A 8 11.425 -1.751 16.637 1.00 31.21 N ATOM 0 H GLN A 8 9.951 -4.385 15.950 1.00 70.11 H new ATOM 0 HA GLN A 8 10.437 -2.305 14.100 1.00 21.50 H new ATOM 0 HB2 GLN A 8 11.710 -5.068 14.238 1.00 45.43 H new ATOM 0 HB3 GLN A 8 12.317 -3.721 13.296 1.00 45.43 H new ATOM 0 HG2 GLN A 8 12.350 -4.114 16.289 1.00 25.34 H new ATOM 0 HG3 GLN A 8 13.667 -3.679 15.219 1.00 25.34 H new ATOM 0 HE21 GLN A 8 10.856 -2.507 17.018 1.00 31.21 H new ATOM 0 HE22 GLN A 8 11.240 -0.786 16.910 1.00 31.21 H new ATOM 151 N ILE A 9 9.424 -5.181 12.698 1.00 41.31 N ATOM 152 CA ILE A 9 8.726 -5.727 11.516 1.00 31.24 C ATOM 153 C ILE A 9 7.314 -5.111 11.367 1.00 43.43 C ATOM 154 O ILE A 9 6.896 -4.782 10.256 1.00 43.54 O ATOM 155 CB ILE A 9 8.582 -7.289 11.552 1.00 5.34 C ATOM 156 CG1 ILE A 9 9.910 -7.989 11.949 1.00 41.30 C ATOM 157 CG2 ILE A 9 8.101 -7.809 10.168 1.00 64.24 C ATOM 158 CD1 ILE A 9 9.767 -9.489 12.079 1.00 32.32 C ATOM 0 H ILE A 9 9.711 -5.883 13.380 1.00 41.31 H new ATOM 0 HA ILE A 9 9.350 -5.460 10.663 1.00 31.24 H new ATOM 0 HB ILE A 9 7.842 -7.533 12.315 1.00 5.34 H new ATOM 0 HG12 ILE A 9 10.671 -7.765 11.201 1.00 41.30 H new ATOM 0 HG13 ILE A 9 10.262 -7.579 12.895 1.00 41.30 H new ATOM 0 HG21 ILE A 9 8.003 -8.894 10.201 1.00 64.24 H new ATOM 0 HG22 ILE A 9 7.135 -7.365 9.928 1.00 64.24 H new ATOM 0 HG23 ILE A 9 8.827 -7.533 9.403 1.00 64.24 H new ATOM 0 HD11 ILE A 9 10.727 -9.923 12.358 1.00 32.32 H new ATOM 0 HD12 ILE A 9 9.028 -9.719 12.846 1.00 32.32 H new ATOM 0 HD13 ILE A 9 9.443 -9.908 11.126 1.00 32.32 H new ATOM 170 N LEU A 10 6.598 -4.955 12.510 1.00 35.24 N ATOM 171 CA LEU A 10 5.219 -4.408 12.534 1.00 72.40 C ATOM 172 C LEU A 10 5.185 -2.897 12.208 1.00 42.23 C ATOM 173 O LEU A 10 4.156 -2.384 11.751 1.00 72.53 O ATOM 174 CB LEU A 10 4.512 -4.689 13.887 1.00 1.42 C ATOM 175 CG LEU A 10 2.949 -4.602 13.870 1.00 51.41 C ATOM 176 CD1 LEU A 10 2.320 -5.674 12.943 1.00 12.43 C ATOM 177 CD2 LEU A 10 2.373 -4.697 15.291 1.00 24.31 C ATOM 0 H LEU A 10 6.957 -5.203 13.432 1.00 35.24 H new ATOM 0 HA LEU A 10 4.669 -4.928 11.750 1.00 72.40 H new ATOM 0 HB2 LEU A 10 4.798 -5.685 14.225 1.00 1.42 H new ATOM 0 HB3 LEU A 10 4.888 -3.982 14.626 1.00 1.42 H new ATOM 0 HG LEU A 10 2.686 -3.626 13.462 1.00 51.41 H new ATOM 0 HD11 LEU A 10 1.234 -5.578 12.960 1.00 12.43 H new ATOM 0 HD12 LEU A 10 2.681 -5.531 11.924 1.00 12.43 H new ATOM 0 HD13 LEU A 10 2.602 -6.667 13.292 1.00 12.43 H new ATOM 0 HD21 LEU A 10 1.286 -4.634 15.248 1.00 24.31 H new ATOM 0 HD22 LEU A 10 2.664 -5.647 15.739 1.00 24.31 H new ATOM 0 HD23 LEU A 10 2.760 -3.877 15.896 1.00 24.31 H new ATOM 189 N ALA A 11 6.306 -2.196 12.447 1.00 74.05 N ATOM 190 CA ALA A 11 6.458 -0.778 12.054 1.00 62.32 C ATOM 191 C ALA A 11 6.472 -0.650 10.531 1.00 45.52 C ATOM 192 O ALA A 11 5.789 0.208 9.966 1.00 34.13 O ATOM 193 CB ALA A 11 7.734 -0.159 12.640 1.00 53.14 C ATOM 0 H ALA A 11 7.125 -2.587 12.912 1.00 74.05 H new ATOM 0 HA ALA A 11 5.605 -0.233 12.457 1.00 62.32 H new ATOM 0 HB1 ALA A 11 7.809 0.883 12.328 1.00 53.14 H new ATOM 0 HB2 ALA A 11 7.697 -0.211 13.728 1.00 53.14 H new ATOM 0 HB3 ALA A 11 8.604 -0.709 12.280 1.00 53.14 H new ATOM 199 N GLU A 12 7.254 -1.527 9.869 1.00 24.55 N ATOM 200 CA GLU A 12 7.316 -1.566 8.401 1.00 72.11 C ATOM 201 C GLU A 12 6.069 -2.260 7.824 1.00 23.53 C ATOM 202 O GLU A 12 5.704 -2.017 6.690 1.00 71.02 O ATOM 203 CB GLU A 12 8.619 -2.234 7.897 1.00 61.41 C ATOM 204 CG GLU A 12 8.755 -2.234 6.355 1.00 4.33 C ATOM 205 CD GLU A 12 10.143 -2.600 5.839 1.00 51.35 C ATOM 206 OE1 GLU A 12 10.723 -1.835 5.031 1.00 14.43 O ATOM 207 OE2 GLU A 12 10.659 -3.654 6.230 1.00 62.43 O ATOM 0 H GLU A 12 7.849 -2.215 10.331 1.00 24.55 H new ATOM 0 HA GLU A 12 7.329 -0.537 8.042 1.00 72.11 H new ATOM 0 HB2 GLU A 12 9.475 -1.716 8.329 1.00 61.41 H new ATOM 0 HB3 GLU A 12 8.654 -3.262 8.257 1.00 61.41 H new ATOM 0 HG2 GLU A 12 8.031 -2.935 5.940 1.00 4.33 H new ATOM 0 HG3 GLU A 12 8.492 -1.245 5.980 1.00 4.33 H new ATOM 214 N ASN A 13 5.409 -3.095 8.632 1.00 52.13 N ATOM 215 CA ASN A 13 4.111 -3.706 8.279 1.00 34.01 C ATOM 216 C ASN A 13 3.027 -2.602 8.196 1.00 61.21 C ATOM 217 O ASN A 13 2.161 -2.631 7.319 1.00 61.43 O ATOM 218 CB ASN A 13 3.760 -4.791 9.328 1.00 24.45 C ATOM 219 CG ASN A 13 2.419 -5.492 9.119 1.00 33.12 C ATOM 220 OD1 ASN A 13 1.393 -5.044 9.619 1.00 62.14 O ATOM 221 ND2 ASN A 13 2.418 -6.610 8.404 1.00 1.34 N ATOM 0 H ASN A 13 5.754 -3.371 9.551 1.00 52.13 H new ATOM 0 HA ASN A 13 4.165 -4.188 7.303 1.00 34.01 H new ATOM 0 HB2 ASN A 13 4.549 -5.543 9.326 1.00 24.45 H new ATOM 0 HB3 ASN A 13 3.761 -4.331 10.316 1.00 24.45 H new ATOM 0 HD21 ASN A 13 1.548 -7.121 8.258 1.00 1.34 H new ATOM 0 HD22 ASN A 13 3.288 -6.958 8.000 1.00 1.34 H new ATOM 228 N GLU A 14 3.135 -1.607 9.102 1.00 15.23 N ATOM 229 CA GLU A 14 2.325 -0.373 9.075 1.00 45.44 C ATOM 230 C GLU A 14 2.700 0.496 7.857 1.00 14.42 C ATOM 231 O GLU A 14 1.823 1.018 7.172 1.00 23.11 O ATOM 232 CB GLU A 14 2.500 0.439 10.410 1.00 12.13 C ATOM 233 CG GLU A 14 2.452 1.980 10.242 1.00 60.43 C ATOM 234 CD GLU A 14 2.330 2.766 11.554 1.00 61.15 C ATOM 235 OE1 GLU A 14 3.364 3.067 12.177 1.00 14.33 O ATOM 236 OE2 GLU A 14 1.201 3.107 11.958 1.00 11.44 O ATOM 0 H GLU A 14 3.794 -1.639 9.880 1.00 15.23 H new ATOM 0 HA GLU A 14 1.276 -0.656 8.985 1.00 45.44 H new ATOM 0 HB2 GLU A 14 1.718 0.139 11.107 1.00 12.13 H new ATOM 0 HB3 GLU A 14 3.453 0.166 10.863 1.00 12.13 H new ATOM 0 HG2 GLU A 14 3.355 2.303 9.724 1.00 60.43 H new ATOM 0 HG3 GLU A 14 1.608 2.236 9.602 1.00 60.43 H new ATOM 243 N LYS A 15 4.018 0.667 7.634 1.00 60.21 N ATOM 244 CA LYS A 15 4.557 1.462 6.511 1.00 35.45 C ATOM 245 C LYS A 15 4.056 0.921 5.163 1.00 2.50 C ATOM 246 O LYS A 15 3.623 1.678 4.302 1.00 24.30 O ATOM 247 CB LYS A 15 6.106 1.435 6.518 1.00 34.15 C ATOM 248 CG LYS A 15 6.786 2.324 5.429 1.00 61.40 C ATOM 249 CD LYS A 15 8.042 1.674 4.793 1.00 52.30 C ATOM 250 CE LYS A 15 7.693 0.445 3.931 1.00 4.32 C ATOM 251 NZ LYS A 15 8.903 -0.187 3.342 1.00 1.23 N ATOM 0 H LYS A 15 4.740 0.258 8.227 1.00 60.21 H new ATOM 0 HA LYS A 15 4.208 2.487 6.638 1.00 35.45 H new ATOM 0 HB2 LYS A 15 6.456 1.757 7.499 1.00 34.15 H new ATOM 0 HB3 LYS A 15 6.437 0.405 6.384 1.00 34.15 H new ATOM 0 HG2 LYS A 15 6.062 2.540 4.644 1.00 61.40 H new ATOM 0 HG3 LYS A 15 7.067 3.278 5.874 1.00 61.40 H new ATOM 0 HD2 LYS A 15 8.558 2.411 4.178 1.00 52.30 H new ATOM 0 HD3 LYS A 15 8.733 1.377 5.582 1.00 52.30 H new ATOM 0 HE2 LYS A 15 7.163 -0.286 4.541 1.00 4.32 H new ATOM 0 HE3 LYS A 15 7.015 0.744 3.132 1.00 4.32 H new ATOM 0 HZ1 LYS A 15 8.620 -0.837 2.581 1.00 1.23 H new ATOM 0 HZ2 LYS A 15 9.526 0.550 2.954 1.00 1.23 H new ATOM 0 HZ3 LYS A 15 9.411 -0.717 4.078 1.00 1.23 H new ATOM 265 N LEU A 16 4.102 -0.417 5.032 1.00 13.24 N ATOM 266 CA LEU A 16 3.660 -1.144 3.834 1.00 30.03 C ATOM 267 C LEU A 16 2.135 -1.078 3.701 1.00 70.13 C ATOM 268 O LEU A 16 1.608 -1.079 2.591 1.00 23.13 O ATOM 269 CB LEU A 16 4.148 -2.611 3.877 1.00 60.14 C ATOM 270 CG LEU A 16 5.684 -2.836 3.706 1.00 3.43 C ATOM 271 CD1 LEU A 16 6.079 -4.282 4.067 1.00 70.23 C ATOM 272 CD2 LEU A 16 6.151 -2.482 2.281 1.00 43.25 C ATOM 0 H LEU A 16 4.453 -1.030 5.768 1.00 13.24 H new ATOM 0 HA LEU A 16 4.099 -0.668 2.957 1.00 30.03 H new ATOM 0 HB2 LEU A 16 3.843 -3.045 4.829 1.00 60.14 H new ATOM 0 HB3 LEU A 16 3.632 -3.166 3.094 1.00 60.14 H new ATOM 0 HG LEU A 16 6.190 -2.164 4.399 1.00 3.43 H new ATOM 0 HD11 LEU A 16 7.154 -4.408 3.938 1.00 70.23 H new ATOM 0 HD12 LEU A 16 5.811 -4.484 5.104 1.00 70.23 H new ATOM 0 HD13 LEU A 16 5.551 -4.977 3.414 1.00 70.23 H new ATOM 0 HD21 LEU A 16 7.225 -2.650 2.198 1.00 43.25 H new ATOM 0 HD22 LEU A 16 5.628 -3.110 1.560 1.00 43.25 H new ATOM 0 HD23 LEU A 16 5.931 -1.434 2.076 1.00 43.25 H new ATOM 284 N LYS A 17 1.451 -0.992 4.853 1.00 44.45 N ATOM 285 CA LYS A 17 -0.001 -0.785 4.920 1.00 32.10 C ATOM 286 C LYS A 17 -0.342 0.644 4.458 1.00 3.44 C ATOM 287 O LYS A 17 -1.372 0.858 3.821 1.00 61.53 O ATOM 288 CB LYS A 17 -0.494 -1.103 6.367 1.00 51.20 C ATOM 289 CG LYS A 17 -2.006 -0.909 6.691 1.00 52.14 C ATOM 290 CD LYS A 17 -2.404 0.546 7.051 1.00 75.41 C ATOM 291 CE LYS A 17 -1.497 1.174 8.127 1.00 61.33 C ATOM 292 NZ LYS A 17 -1.961 2.531 8.524 1.00 40.33 N ATOM 0 H LYS A 17 1.894 -1.065 5.769 1.00 44.45 H new ATOM 0 HA LYS A 17 -0.525 -1.462 4.246 1.00 32.10 H new ATOM 0 HB2 LYS A 17 -0.237 -2.140 6.586 1.00 51.20 H new ATOM 0 HB3 LYS A 17 0.076 -0.481 7.057 1.00 51.20 H new ATOM 0 HG2 LYS A 17 -2.593 -1.231 5.831 1.00 52.14 H new ATOM 0 HG3 LYS A 17 -2.273 -1.562 7.522 1.00 52.14 H new ATOM 0 HD2 LYS A 17 -2.367 1.159 6.151 1.00 75.41 H new ATOM 0 HD3 LYS A 17 -3.436 0.557 7.403 1.00 75.41 H new ATOM 0 HE2 LYS A 17 -1.474 0.528 9.004 1.00 61.33 H new ATOM 0 HE3 LYS A 17 -0.476 1.236 7.750 1.00 61.33 H new ATOM 0 HZ1 LYS A 17 -1.324 2.917 9.249 1.00 40.33 H new ATOM 0 HZ2 LYS A 17 -1.959 3.156 7.693 1.00 40.33 H new ATOM 0 HZ3 LYS A 17 -2.926 2.470 8.908 1.00 40.33 H new ATOM 306 N ALA A 18 0.564 1.600 4.745 1.00 13.42 N ATOM 307 CA ALA A 18 0.369 3.022 4.429 1.00 60.24 C ATOM 308 C ALA A 18 0.514 3.245 2.917 1.00 12.34 C ATOM 309 O ALA A 18 -0.416 3.708 2.261 1.00 64.14 O ATOM 310 CB ALA A 18 1.367 3.887 5.223 1.00 73.22 C ATOM 0 H ALA A 18 1.453 1.403 5.204 1.00 13.42 H new ATOM 0 HA ALA A 18 -0.637 3.322 4.722 1.00 60.24 H new ATOM 0 HB1 ALA A 18 1.212 4.938 4.979 1.00 73.22 H new ATOM 0 HB2 ALA A 18 1.211 3.735 6.291 1.00 73.22 H new ATOM 0 HB3 ALA A 18 2.386 3.601 4.961 1.00 73.22 H new ATOM 316 N GLN A 19 1.680 2.849 2.373 1.00 32.32 N ATOM 317 CA GLN A 19 1.992 3.004 0.944 1.00 24.43 C ATOM 318 C GLN A 19 1.046 2.181 0.053 1.00 14.04 C ATOM 319 O GLN A 19 0.701 2.628 -1.041 1.00 60.14 O ATOM 320 CB GLN A 19 3.482 2.648 0.680 1.00 44.44 C ATOM 321 CG GLN A 19 3.948 1.289 1.259 1.00 51.31 C ATOM 322 CD GLN A 19 4.133 0.159 0.245 1.00 33.12 C ATOM 323 OE1 GLN A 19 5.181 0.052 -0.392 1.00 42.54 O ATOM 324 NE2 GLN A 19 3.150 -0.733 0.149 1.00 33.42 N ATOM 0 H GLN A 19 2.429 2.414 2.912 1.00 32.32 H new ATOM 0 HA GLN A 19 1.834 4.049 0.677 1.00 24.43 H new ATOM 0 HB2 GLN A 19 3.653 2.644 -0.397 1.00 44.44 H new ATOM 0 HB3 GLN A 19 4.107 3.437 1.099 1.00 44.44 H new ATOM 0 HG2 GLN A 19 4.893 1.443 1.779 1.00 51.31 H new ATOM 0 HG3 GLN A 19 3.222 0.966 2.005 1.00 51.31 H new ATOM 0 HE21 GLN A 19 2.296 -0.611 0.693 1.00 33.42 H new ATOM 0 HE22 GLN A 19 3.251 -1.539 -0.468 1.00 33.42 H new ATOM 333 N LEU A 20 0.609 0.979 0.527 1.00 33.53 N ATOM 334 CA LEU A 20 -0.393 0.173 -0.218 1.00 4.40 C ATOM 335 C LEU A 20 -1.717 0.920 -0.246 1.00 52.41 C ATOM 336 O LEU A 20 -2.364 0.976 -1.280 1.00 14.45 O ATOM 337 CB LEU A 20 -0.571 -1.286 0.348 1.00 55.31 C ATOM 338 CG LEU A 20 -1.659 -1.604 1.468 1.00 51.24 C ATOM 339 CD1 LEU A 20 -3.096 -1.821 0.903 1.00 42.43 C ATOM 340 CD2 LEU A 20 -1.260 -2.835 2.310 1.00 3.25 C ATOM 0 H LEU A 20 0.928 0.558 1.400 1.00 33.53 H new ATOM 0 HA LEU A 20 -0.020 0.044 -1.234 1.00 4.40 H new ATOM 0 HB2 LEU A 20 -0.788 -1.934 -0.501 1.00 55.31 H new ATOM 0 HB3 LEU A 20 0.396 -1.595 0.745 1.00 55.31 H new ATOM 0 HG LEU A 20 -1.683 -0.713 2.096 1.00 51.24 H new ATOM 0 HD11 LEU A 20 -3.781 -2.033 1.724 1.00 42.43 H new ATOM 0 HD12 LEU A 20 -3.422 -0.921 0.381 1.00 42.43 H new ATOM 0 HD13 LEU A 20 -3.091 -2.661 0.209 1.00 42.43 H new ATOM 0 HD21 LEU A 20 -2.024 -3.023 3.064 1.00 3.25 H new ATOM 0 HD22 LEU A 20 -1.169 -3.706 1.661 1.00 3.25 H new ATOM 0 HD23 LEU A 20 -0.305 -2.646 2.800 1.00 3.25 H new ATOM 352 N HIS A 21 -2.092 1.501 0.917 1.00 44.31 N ATOM 353 CA HIS A 21 -3.362 2.222 1.090 1.00 25.11 C ATOM 354 C HIS A 21 -3.436 3.367 0.077 1.00 43.22 C ATOM 355 O HIS A 21 -4.444 3.522 -0.607 1.00 72.54 O ATOM 356 CB HIS A 21 -3.496 2.738 2.551 1.00 24.55 C ATOM 357 CG HIS A 21 -4.791 3.431 2.873 1.00 52.02 C ATOM 358 ND1 HIS A 21 -5.815 2.811 3.557 1.00 61.14 N ATOM 359 CD2 HIS A 21 -5.200 4.707 2.671 1.00 25.33 C ATOM 360 CE1 HIS A 21 -6.796 3.666 3.741 1.00 43.22 C ATOM 361 NE2 HIS A 21 -6.446 4.821 3.220 1.00 21.32 N ATOM 0 H HIS A 21 -1.517 1.480 1.760 1.00 44.31 H new ATOM 0 HA HIS A 21 -4.197 1.546 0.907 1.00 25.11 H new ATOM 0 HB2 HIS A 21 -3.377 1.893 3.229 1.00 24.55 H new ATOM 0 HB3 HIS A 21 -2.675 3.426 2.752 1.00 24.55 H new ATOM 0 HD2 HIS A 21 -4.646 5.487 2.170 1.00 25.33 H new ATOM 0 HE1 HIS A 21 -7.732 3.455 4.237 1.00 43.22 H new ATOM 0 HE2 HIS A 21 -7.014 5.668 3.225 1.00 21.32 H new ATOM 370 N ASP A 22 -2.321 4.109 -0.050 1.00 31.41 N ATOM 371 CA ASP A 22 -2.179 5.184 -1.040 1.00 25.12 C ATOM 372 C ASP A 22 -2.321 4.636 -2.469 1.00 0.00 C ATOM 373 O ASP A 22 -3.087 5.183 -3.257 1.00 14.22 O ATOM 374 CB ASP A 22 -0.820 5.919 -0.879 1.00 63.32 C ATOM 375 CG ASP A 22 -0.771 6.813 0.371 1.00 2.15 C ATOM 376 OD1 ASP A 22 -1.323 7.936 0.331 1.00 43.32 O ATOM 377 OD2 ASP A 22 -0.187 6.409 1.393 1.00 2.24 O ATOM 0 H ASP A 22 -1.494 3.977 0.533 1.00 31.41 H new ATOM 0 HA ASP A 22 -2.979 5.902 -0.863 1.00 25.12 H new ATOM 0 HB2 ASP A 22 -0.018 5.183 -0.825 1.00 63.32 H new ATOM 0 HB3 ASP A 22 -0.635 6.528 -1.764 1.00 63.32 H new ATOM 382 N THR A 23 -1.618 3.514 -2.762 1.00 52.34 N ATOM 383 CA THR A 23 -1.612 2.895 -4.104 1.00 43.41 C ATOM 384 C THR A 23 -3.008 2.338 -4.470 1.00 15.04 C ATOM 385 O THR A 23 -3.385 2.328 -5.638 1.00 70.44 O ATOM 386 CB THR A 23 -0.531 1.765 -4.233 1.00 42.13 C ATOM 387 OG1 THR A 23 0.738 2.246 -3.771 1.00 41.44 O ATOM 388 CG2 THR A 23 -0.362 1.289 -5.693 1.00 43.31 C ATOM 0 H THR A 23 -1.045 3.019 -2.079 1.00 52.34 H new ATOM 0 HA THR A 23 -1.352 3.685 -4.808 1.00 43.41 H new ATOM 0 HB THR A 23 -0.874 0.927 -3.627 1.00 42.13 H new ATOM 0 HG1 THR A 23 0.695 2.407 -2.805 1.00 41.44 H new ATOM 0 HG21 THR A 23 0.396 0.507 -5.735 1.00 43.31 H new ATOM 0 HG22 THR A 23 -1.310 0.896 -6.060 1.00 43.31 H new ATOM 0 HG23 THR A 23 -0.052 2.128 -6.316 1.00 43.31 H new ATOM 396 N ASN A 24 -3.780 1.930 -3.442 1.00 71.41 N ATOM 397 CA ASN A 24 -5.141 1.370 -3.608 1.00 20.40 C ATOM 398 C ASN A 24 -6.127 2.502 -3.932 1.00 54.41 C ATOM 399 O ASN A 24 -6.943 2.374 -4.854 1.00 55.31 O ATOM 400 CB ASN A 24 -5.613 0.605 -2.329 1.00 51.10 C ATOM 401 CG ASN A 24 -4.983 -0.787 -2.107 1.00 3.22 C ATOM 402 OD1 ASN A 24 -3.729 -0.996 -2.480 1.00 64.23 O flip ATOM 403 ND2 ASN A 24 -5.634 -1.678 -1.566 1.00 73.14 N flip ATOM 0 H ASN A 24 -3.478 1.979 -2.469 1.00 71.41 H new ATOM 0 HA ASN A 24 -5.112 0.655 -4.430 1.00 20.40 H new ATOM 0 HB2 ASN A 24 -5.397 1.224 -1.458 1.00 51.10 H new ATOM 0 HB3 ASN A 24 -6.696 0.489 -2.377 1.00 51.10 H new ATOM 0 HD21 ASN A 24 -6.599 -1.505 -1.283 1.00 73.14 H new ATOM 0 HD22 ASN A 24 -5.210 -2.590 -1.400 1.00 73.14 H new ATOM 410 N MET A 25 -6.031 3.614 -3.166 1.00 52.01 N ATOM 411 CA MET A 25 -6.889 4.795 -3.353 1.00 60.10 C ATOM 412 C MET A 25 -6.661 5.429 -4.728 1.00 50.41 C ATOM 413 O MET A 25 -7.618 5.700 -5.447 1.00 24.33 O ATOM 414 CB MET A 25 -6.627 5.843 -2.244 1.00 65.15 C ATOM 415 CG MET A 25 -6.898 5.365 -0.809 1.00 34.54 C ATOM 416 SD MET A 25 -8.648 5.105 -0.423 1.00 32.22 S ATOM 417 CE MET A 25 -8.900 3.370 -0.828 1.00 4.15 C ATOM 0 H MET A 25 -5.358 3.712 -2.406 1.00 52.01 H new ATOM 0 HA MET A 25 -7.925 4.463 -3.290 1.00 60.10 H new ATOM 0 HB2 MET A 25 -5.588 6.166 -2.311 1.00 65.15 H new ATOM 0 HB3 MET A 25 -7.247 6.718 -2.441 1.00 65.15 H new ATOM 0 HG2 MET A 25 -6.360 4.432 -0.642 1.00 34.54 H new ATOM 0 HG3 MET A 25 -6.490 6.097 -0.112 1.00 34.54 H new ATOM 0 HE1 MET A 25 -9.834 3.257 -1.378 1.00 4.15 H new ATOM 0 HE2 MET A 25 -8.072 3.016 -1.442 1.00 4.15 H new ATOM 0 HE3 MET A 25 -8.946 2.785 0.091 1.00 4.15 H new ATOM 427 N GLU A 26 -5.378 5.630 -5.087 1.00 3.01 N ATOM 428 CA GLU A 26 -4.999 6.282 -6.354 1.00 35.15 C ATOM 429 C GLU A 26 -5.259 5.361 -7.558 1.00 24.01 C ATOM 430 O GLU A 26 -5.426 5.858 -8.648 1.00 65.31 O ATOM 431 CB GLU A 26 -3.514 6.750 -6.326 1.00 20.41 C ATOM 432 CG GLU A 26 -2.479 5.615 -6.331 1.00 32.03 C ATOM 433 CD GLU A 26 -1.032 6.087 -6.116 1.00 31.14 C ATOM 434 OE1 GLU A 26 -0.628 6.304 -4.955 1.00 13.14 O ATOM 435 OE2 GLU A 26 -0.288 6.234 -7.097 1.00 11.44 O ATOM 0 H GLU A 26 -4.583 5.348 -4.513 1.00 3.01 H new ATOM 0 HA GLU A 26 -5.628 7.165 -6.467 1.00 35.15 H new ATOM 0 HB2 GLU A 26 -3.334 7.391 -7.189 1.00 20.41 H new ATOM 0 HB3 GLU A 26 -3.357 7.361 -5.437 1.00 20.41 H new ATOM 0 HG2 GLU A 26 -2.736 4.899 -5.550 1.00 32.03 H new ATOM 0 HG3 GLU A 26 -2.540 5.086 -7.282 1.00 32.03 H new ATOM 442 N LEU A 27 -5.271 4.020 -7.340 1.00 73.13 N ATOM 443 CA LEU A 27 -5.654 3.029 -8.375 1.00 71.33 C ATOM 444 C LEU A 27 -7.150 3.176 -8.697 1.00 73.41 C ATOM 445 O LEU A 27 -7.528 3.322 -9.854 1.00 52.40 O ATOM 446 CB LEU A 27 -5.325 1.604 -7.845 1.00 52.34 C ATOM 447 CG LEU A 27 -5.428 0.359 -8.806 1.00 54.15 C ATOM 448 CD1 LEU A 27 -4.714 -0.841 -8.161 1.00 64.20 C ATOM 449 CD2 LEU A 27 -6.884 -0.047 -9.177 1.00 33.24 C ATOM 0 H LEU A 27 -5.017 3.599 -6.446 1.00 73.13 H new ATOM 0 HA LEU A 27 -5.095 3.198 -9.295 1.00 71.33 H new ATOM 0 HB2 LEU A 27 -4.307 1.630 -7.457 1.00 52.34 H new ATOM 0 HB3 LEU A 27 -5.984 1.414 -6.998 1.00 52.34 H new ATOM 0 HG LEU A 27 -4.949 0.655 -9.739 1.00 54.15 H new ATOM 0 HD11 LEU A 27 -4.783 -1.704 -8.823 1.00 64.20 H new ATOM 0 HD12 LEU A 27 -3.665 -0.594 -7.995 1.00 64.20 H new ATOM 0 HD13 LEU A 27 -5.187 -1.076 -7.207 1.00 64.20 H new ATOM 0 HD21 LEU A 27 -6.863 -0.911 -9.841 1.00 33.24 H new ATOM 0 HD22 LEU A 27 -7.434 -0.299 -8.270 1.00 33.24 H new ATOM 0 HD23 LEU A 27 -7.377 0.785 -9.681 1.00 33.24 H new ATOM 461 N THR A 28 -7.976 3.120 -7.635 1.00 44.55 N ATOM 462 CA THR A 28 -9.452 3.131 -7.726 1.00 44.31 C ATOM 463 C THR A 28 -9.971 4.489 -8.244 1.00 14.51 C ATOM 464 O THR A 28 -10.969 4.560 -8.980 1.00 12.33 O ATOM 465 CB THR A 28 -10.057 2.792 -6.324 1.00 74.30 C ATOM 466 OG1 THR A 28 -9.546 1.521 -5.903 1.00 32.41 O ATOM 467 CG2 THR A 28 -11.595 2.746 -6.317 1.00 42.32 C ATOM 0 H THR A 28 -7.634 3.065 -6.676 1.00 44.55 H new ATOM 0 HA THR A 28 -9.769 2.375 -8.444 1.00 44.31 H new ATOM 0 HB THR A 28 -9.765 3.590 -5.642 1.00 74.30 H new ATOM 0 HG1 THR A 28 -8.666 1.643 -5.490 1.00 32.41 H new ATOM 0 HG21 THR A 28 -11.947 2.506 -5.314 1.00 42.32 H new ATOM 0 HG22 THR A 28 -11.989 3.717 -6.617 1.00 42.32 H new ATOM 0 HG23 THR A 28 -11.939 1.983 -7.015 1.00 42.32 H new ATOM 475 N ASP A 29 -9.259 5.546 -7.844 1.00 44.13 N ATOM 476 CA ASP A 29 -9.459 6.918 -8.329 1.00 52.51 C ATOM 477 C ASP A 29 -9.179 6.976 -9.836 1.00 25.44 C ATOM 478 O ASP A 29 -10.066 7.307 -10.625 1.00 23.23 O ATOM 479 CB ASP A 29 -8.511 7.878 -7.549 1.00 4.31 C ATOM 480 CG ASP A 29 -8.367 9.261 -8.199 1.00 42.22 C ATOM 481 OD1 ASP A 29 -7.365 9.495 -8.916 1.00 3.42 O ATOM 482 OD2 ASP A 29 -9.260 10.113 -8.014 1.00 54.13 O ATOM 0 H ASP A 29 -8.509 5.472 -7.157 1.00 44.13 H new ATOM 0 HA ASP A 29 -10.490 7.230 -8.160 1.00 52.51 H new ATOM 0 HB2 ASP A 29 -8.887 8.000 -6.533 1.00 4.31 H new ATOM 0 HB3 ASP A 29 -7.526 7.418 -7.471 1.00 4.31 H new ATOM 487 N LEU A 30 -7.937 6.583 -10.192 1.00 31.22 N ATOM 488 CA LEU A 30 -7.405 6.576 -11.570 1.00 63.04 C ATOM 489 C LEU A 30 -8.338 5.795 -12.520 1.00 13.41 C ATOM 490 O LEU A 30 -8.560 6.203 -13.652 1.00 72.41 O ATOM 491 CB LEU A 30 -5.981 5.945 -11.535 1.00 61.01 C ATOM 492 CG LEU A 30 -5.080 6.081 -12.790 1.00 61.44 C ATOM 493 CD1 LEU A 30 -4.841 7.538 -13.158 1.00 1.41 C ATOM 494 CD2 LEU A 30 -3.741 5.341 -12.581 1.00 31.44 C ATOM 0 H LEU A 30 -7.257 6.252 -9.507 1.00 31.22 H new ATOM 0 HA LEU A 30 -7.348 7.595 -11.952 1.00 63.04 H new ATOM 0 HB2 LEU A 30 -5.445 6.383 -10.693 1.00 61.01 H new ATOM 0 HB3 LEU A 30 -6.095 4.882 -11.322 1.00 61.01 H new ATOM 0 HG LEU A 30 -5.606 5.617 -13.624 1.00 61.44 H new ATOM 0 HD11 LEU A 30 -4.206 7.590 -14.042 1.00 1.41 H new ATOM 0 HD12 LEU A 30 -5.795 8.022 -13.368 1.00 1.41 H new ATOM 0 HD13 LEU A 30 -4.351 8.047 -12.328 1.00 1.41 H new ATOM 0 HD21 LEU A 30 -3.123 5.448 -13.472 1.00 31.44 H new ATOM 0 HD22 LEU A 30 -3.219 5.768 -11.724 1.00 31.44 H new ATOM 0 HD23 LEU A 30 -3.934 4.284 -12.398 1.00 31.44 H new ATOM 506 N LYS A 31 -8.888 4.691 -11.987 1.00 42.22 N ATOM 507 CA LYS A 31 -9.823 3.764 -12.662 1.00 2.35 C ATOM 508 C LYS A 31 -11.184 4.433 -12.953 1.00 4.54 C ATOM 509 O LYS A 31 -11.694 4.390 -14.096 1.00 1.35 O ATOM 510 CB LYS A 31 -9.962 2.505 -11.733 1.00 10.42 C ATOM 511 CG LYS A 31 -11.241 1.655 -11.863 1.00 0.21 C ATOM 512 CD LYS A 31 -11.382 0.920 -13.210 1.00 54.43 C ATOM 513 CE LYS A 31 -12.652 0.058 -13.254 1.00 24.41 C ATOM 514 NZ LYS A 31 -12.832 -0.598 -14.573 1.00 74.20 N ATOM 0 H LYS A 31 -8.686 4.404 -11.029 1.00 42.22 H new ATOM 0 HA LYS A 31 -9.439 3.470 -13.639 1.00 2.35 H new ATOM 0 HB2 LYS A 31 -9.107 1.855 -11.919 1.00 10.42 H new ATOM 0 HB3 LYS A 31 -9.887 2.842 -10.699 1.00 10.42 H new ATOM 0 HG2 LYS A 31 -11.258 0.920 -11.058 1.00 0.21 H new ATOM 0 HG3 LYS A 31 -12.108 2.301 -11.723 1.00 0.21 H new ATOM 0 HD2 LYS A 31 -11.407 1.648 -14.021 1.00 54.43 H new ATOM 0 HD3 LYS A 31 -10.508 0.290 -13.374 1.00 54.43 H new ATOM 0 HE2 LYS A 31 -12.601 -0.702 -12.475 1.00 24.41 H new ATOM 0 HE3 LYS A 31 -13.520 0.680 -13.037 1.00 24.41 H new ATOM 0 HZ1 LYS A 31 -13.700 -1.170 -14.561 1.00 74.20 H new ATOM 0 HZ2 LYS A 31 -12.906 0.128 -15.314 1.00 74.20 H new ATOM 0 HZ3 LYS A 31 -12.016 -1.212 -14.770 1.00 74.20 H new ATOM 528 N LEU A 32 -11.747 5.055 -11.905 1.00 13.44 N ATOM 529 CA LEU A 32 -13.072 5.684 -11.947 1.00 1.15 C ATOM 530 C LEU A 32 -13.109 6.792 -13.018 1.00 51.02 C ATOM 531 O LEU A 32 -13.898 6.732 -13.980 1.00 50.15 O ATOM 532 CB LEU A 32 -13.407 6.244 -10.537 1.00 51.24 C ATOM 533 CG LEU A 32 -14.824 6.863 -10.352 1.00 54.43 C ATOM 534 CD1 LEU A 32 -15.939 5.830 -10.642 1.00 71.24 C ATOM 535 CD2 LEU A 32 -14.974 7.483 -8.943 1.00 51.04 C ATOM 0 H LEU A 32 -11.289 5.135 -10.997 1.00 13.44 H new ATOM 0 HA LEU A 32 -13.825 4.945 -12.221 1.00 1.15 H new ATOM 0 HB2 LEU A 32 -13.290 5.437 -9.813 1.00 51.24 H new ATOM 0 HB3 LEU A 32 -12.667 7.005 -10.288 1.00 51.24 H new ATOM 0 HG LEU A 32 -14.935 7.665 -11.082 1.00 54.43 H new ATOM 0 HD11 LEU A 32 -16.914 6.298 -10.503 1.00 71.24 H new ATOM 0 HD12 LEU A 32 -15.850 5.477 -11.669 1.00 71.24 H new ATOM 0 HD13 LEU A 32 -15.840 4.987 -9.959 1.00 71.24 H new ATOM 0 HD21 LEU A 32 -15.972 7.909 -8.837 1.00 51.04 H new ATOM 0 HD22 LEU A 32 -14.827 6.711 -8.188 1.00 51.04 H new ATOM 0 HD23 LEU A 32 -14.229 8.267 -8.809 1.00 51.04 H new ATOM 547 N GLN A 33 -12.183 7.753 -12.882 1.00 43.30 N ATOM 548 CA GLN A 33 -12.048 8.877 -13.818 1.00 54.13 C ATOM 549 C GLN A 33 -11.611 8.396 -15.228 1.00 4.03 C ATOM 550 O GLN A 33 -12.025 9.001 -16.235 1.00 21.02 O ATOM 551 CB GLN A 33 -11.036 9.921 -13.281 1.00 24.53 C ATOM 552 CG GLN A 33 -9.656 9.334 -12.930 1.00 4.13 C ATOM 553 CD GLN A 33 -8.496 10.314 -12.985 1.00 21.44 C ATOM 554 OE1 GLN A 33 -7.337 9.794 -13.344 1.00 42.35 O flip ATOM 555 NE2 GLN A 33 -8.636 11.513 -12.736 1.00 55.32 N flip ATOM 0 H GLN A 33 -11.506 7.772 -12.119 1.00 43.30 H new ATOM 0 HA GLN A 33 -13.029 9.344 -13.906 1.00 54.13 H new ATOM 0 HB2 GLN A 33 -10.907 10.704 -14.028 1.00 24.53 H new ATOM 0 HB3 GLN A 33 -11.455 10.394 -12.393 1.00 24.53 H new ATOM 0 HG2 GLN A 33 -9.705 8.911 -11.926 1.00 4.13 H new ATOM 0 HG3 GLN A 33 -9.446 8.511 -13.613 1.00 4.13 H new ATOM 0 HE21 GLN A 33 -9.550 11.874 -12.462 1.00 55.32 H new ATOM 0 HE22 GLN A 33 -7.838 12.145 -12.804 1.00 55.32 H new ATOM 564 N LEU A 34 -10.787 7.302 -15.285 1.00 62.11 N ATOM 565 CA LEU A 34 -10.304 6.698 -16.559 1.00 73.40 C ATOM 566 C LEU A 34 -11.458 6.539 -17.527 1.00 44.34 C ATOM 567 O LEU A 34 -11.497 7.232 -18.558 1.00 15.11 O ATOM 568 CB LEU A 34 -9.625 5.299 -16.347 1.00 43.41 C ATOM 569 CG LEU A 34 -9.361 4.446 -17.640 1.00 44.44 C ATOM 570 CD1 LEU A 34 -8.345 5.131 -18.565 1.00 42.15 C ATOM 571 CD2 LEU A 34 -8.937 2.993 -17.313 1.00 42.35 C ATOM 0 H LEU A 34 -10.445 6.822 -14.453 1.00 62.11 H new ATOM 0 HA LEU A 34 -9.553 7.377 -16.962 1.00 73.40 H new ATOM 0 HB2 LEU A 34 -8.672 5.455 -15.841 1.00 43.41 H new ATOM 0 HB3 LEU A 34 -10.252 4.714 -15.674 1.00 43.41 H new ATOM 0 HG LEU A 34 -10.310 4.383 -18.173 1.00 44.44 H new ATOM 0 HD11 LEU A 34 -8.185 4.515 -19.450 1.00 42.15 H new ATOM 0 HD12 LEU A 34 -8.727 6.106 -18.866 1.00 42.15 H new ATOM 0 HD13 LEU A 34 -7.400 5.259 -18.037 1.00 42.15 H new ATOM 0 HD21 LEU A 34 -8.767 2.446 -18.240 1.00 42.35 H new ATOM 0 HD22 LEU A 34 -8.019 3.005 -16.725 1.00 42.35 H new ATOM 0 HD23 LEU A 34 -9.726 2.503 -16.743 1.00 42.35 H new ATOM 774 N PHE B 102 9.824 -16.923 20.651 1.00 23.12 N ATOM 775 CA PHE B 102 9.583 -15.710 19.863 1.00 33.55 C ATOM 776 C PHE B 102 10.122 -15.840 18.424 1.00 44.24 C ATOM 777 O PHE B 102 10.019 -14.890 17.629 1.00 14.53 O ATOM 778 CB PHE B 102 10.220 -14.511 20.584 1.00 72.25 C ATOM 779 CG PHE B 102 9.628 -14.200 21.970 1.00 22.43 C ATOM 780 CD1 PHE B 102 10.135 -14.800 23.125 1.00 73.11 C ATOM 781 CD2 PHE B 102 8.587 -13.279 22.118 1.00 73.41 C ATOM 782 CE1 PHE B 102 9.621 -14.494 24.373 1.00 31.15 C ATOM 783 CE2 PHE B 102 8.072 -12.978 23.363 1.00 64.25 C ATOM 784 CZ PHE B 102 8.593 -13.580 24.492 1.00 22.43 C ATOM 0 HA PHE B 102 8.507 -15.558 19.778 1.00 33.55 H new ATOM 0 HB2 PHE B 102 11.288 -14.698 20.695 1.00 72.25 H new ATOM 0 HB3 PHE B 102 10.114 -13.628 19.953 1.00 72.25 H new ATOM 0 HD1 PHE B 102 10.941 -15.514 23.043 1.00 73.11 H new ATOM 0 HD2 PHE B 102 8.179 -12.795 21.243 1.00 73.41 H new ATOM 0 HE1 PHE B 102 10.024 -14.970 25.254 1.00 31.15 H new ATOM 0 HE2 PHE B 102 7.261 -12.271 23.454 1.00 64.25 H new ATOM 0 HZ PHE B 102 8.197 -13.336 25.467 1.00 22.43 H new ATOM 794 N LYS B 103 10.699 -17.017 18.095 1.00 23.41 N ATOM 795 CA LYS B 103 11.125 -17.332 16.717 1.00 61.11 C ATOM 796 C LYS B 103 9.915 -17.238 15.764 1.00 1.42 C ATOM 797 O LYS B 103 10.022 -16.701 14.650 1.00 33.22 O ATOM 798 CB LYS B 103 11.808 -18.738 16.610 1.00 61.31 C ATOM 799 CG LYS B 103 10.876 -19.988 16.606 1.00 51.32 C ATOM 800 CD LYS B 103 10.229 -20.349 17.976 1.00 72.55 C ATOM 801 CE LYS B 103 11.121 -21.243 18.871 1.00 51.14 C ATOM 802 NZ LYS B 103 12.405 -20.604 19.263 1.00 72.24 N ATOM 0 H LYS B 103 10.880 -17.763 18.766 1.00 23.41 H new ATOM 0 HA LYS B 103 11.876 -16.597 16.425 1.00 61.11 H new ATOM 0 HB2 LYS B 103 12.401 -18.756 15.695 1.00 61.31 H new ATOM 0 HB3 LYS B 103 12.504 -18.839 17.443 1.00 61.31 H new ATOM 0 HG2 LYS B 103 10.079 -19.823 15.881 1.00 51.32 H new ATOM 0 HG3 LYS B 103 11.451 -20.846 16.258 1.00 51.32 H new ATOM 0 HD2 LYS B 103 9.999 -19.429 18.512 1.00 72.55 H new ATOM 0 HD3 LYS B 103 9.282 -20.859 17.797 1.00 72.55 H new ATOM 0 HE2 LYS B 103 10.567 -21.508 19.772 1.00 51.14 H new ATOM 0 HE3 LYS B 103 11.334 -22.173 18.343 1.00 51.14 H new ATOM 0 HZ1 LYS B 103 12.754 -21.037 20.141 1.00 72.24 H new ATOM 0 HZ2 LYS B 103 13.106 -20.741 18.507 1.00 72.24 H new ATOM 0 HZ3 LYS B 103 12.254 -19.586 19.415 1.00 72.24 H new ATOM 816 N LYS B 104 8.745 -17.713 16.267 1.00 11.40 N ATOM 817 CA LYS B 104 7.489 -17.678 15.518 1.00 45.11 C ATOM 818 C LYS B 104 7.073 -16.234 15.269 1.00 65.53 C ATOM 819 O LYS B 104 6.627 -15.931 14.188 1.00 3.42 O ATOM 820 CB LYS B 104 6.371 -18.487 16.251 1.00 11.34 C ATOM 821 CG LYS B 104 6.002 -18.004 17.686 1.00 53.22 C ATOM 822 CD LYS B 104 4.886 -16.924 17.759 1.00 13.32 C ATOM 823 CE LYS B 104 3.529 -17.428 17.258 1.00 52.12 C ATOM 824 NZ LYS B 104 3.024 -18.577 18.054 1.00 13.12 N ATOM 0 H LYS B 104 8.660 -18.125 17.196 1.00 11.40 H new ATOM 0 HA LYS B 104 7.643 -18.158 14.552 1.00 45.11 H new ATOM 0 HB2 LYS B 104 5.470 -18.460 15.638 1.00 11.34 H new ATOM 0 HB3 LYS B 104 6.685 -19.529 16.310 1.00 11.34 H new ATOM 0 HG2 LYS B 104 5.687 -18.868 18.272 1.00 53.22 H new ATOM 0 HG3 LYS B 104 6.900 -17.607 18.160 1.00 53.22 H new ATOM 0 HD2 LYS B 104 4.783 -16.585 18.790 1.00 13.32 H new ATOM 0 HD3 LYS B 104 5.186 -16.059 17.168 1.00 13.32 H new ATOM 0 HE2 LYS B 104 2.805 -16.615 17.299 1.00 52.12 H new ATOM 0 HE3 LYS B 104 3.617 -17.724 16.213 1.00 52.12 H new ATOM 0 HZ1 LYS B 104 2.049 -18.796 17.767 1.00 13.12 H new ATOM 0 HZ2 LYS B 104 3.628 -19.407 17.888 1.00 13.12 H new ATOM 0 HZ3 LYS B 104 3.041 -18.333 19.065 1.00 13.12 H new ATOM 838 N LEU B 105 7.259 -15.348 16.287 1.00 25.15 N ATOM 839 CA LEU B 105 6.866 -13.925 16.205 1.00 30.42 C ATOM 840 C LEU B 105 7.536 -13.285 14.994 1.00 12.42 C ATOM 841 O LEU B 105 6.861 -12.617 14.176 1.00 1.13 O ATOM 842 CB LEU B 105 7.183 -13.173 17.574 1.00 40.04 C ATOM 843 CG LEU B 105 8.141 -11.910 17.587 1.00 35.31 C ATOM 844 CD1 LEU B 105 7.575 -10.697 16.824 1.00 62.21 C ATOM 845 CD2 LEU B 105 8.485 -11.492 19.030 1.00 42.41 C ATOM 0 H LEU B 105 7.683 -15.605 17.179 1.00 25.15 H new ATOM 0 HA LEU B 105 5.789 -13.841 16.062 1.00 30.42 H new ATOM 0 HB2 LEU B 105 6.229 -12.860 17.999 1.00 40.04 H new ATOM 0 HB3 LEU B 105 7.609 -13.909 18.256 1.00 40.04 H new ATOM 0 HG LEU B 105 9.044 -12.226 17.065 1.00 35.31 H new ATOM 0 HD11 LEU B 105 8.284 -9.871 16.876 1.00 62.21 H new ATOM 0 HD12 LEU B 105 7.409 -10.968 15.781 1.00 62.21 H new ATOM 0 HD13 LEU B 105 6.630 -10.392 17.274 1.00 62.21 H new ATOM 0 HD21 LEU B 105 9.143 -10.623 19.010 1.00 42.41 H new ATOM 0 HD22 LEU B 105 7.569 -11.241 19.564 1.00 42.41 H new ATOM 0 HD23 LEU B 105 8.987 -12.316 19.538 1.00 42.41 H new ATOM 857 N TYR B 106 8.869 -13.502 14.897 1.00 35.22 N ATOM 858 CA TYR B 106 9.678 -12.986 13.797 1.00 61.52 C ATOM 859 C TYR B 106 9.067 -13.431 12.457 1.00 2.11 C ATOM 860 O TYR B 106 8.789 -12.612 11.597 1.00 21.11 O ATOM 861 CB TYR B 106 11.149 -13.467 13.928 1.00 20.50 C ATOM 862 CG TYR B 106 12.114 -12.718 12.996 1.00 63.11 C ATOM 863 CD1 TYR B 106 12.379 -11.366 13.205 1.00 75.51 C ATOM 864 CD2 TYR B 106 12.730 -13.337 11.903 1.00 32.22 C ATOM 865 CE1 TYR B 106 13.214 -10.654 12.375 1.00 24.04 C ATOM 866 CE2 TYR B 106 13.577 -12.626 11.068 1.00 73.03 C ATOM 867 CZ TYR B 106 13.812 -11.285 11.311 1.00 31.44 C ATOM 868 OH TYR B 106 14.643 -10.569 10.479 1.00 32.32 O ATOM 0 H TYR B 106 9.400 -14.039 15.582 1.00 35.22 H new ATOM 0 HA TYR B 106 9.683 -11.897 13.835 1.00 61.52 H new ATOM 0 HB2 TYR B 106 11.476 -13.338 14.960 1.00 20.50 H new ATOM 0 HB3 TYR B 106 11.197 -14.534 13.709 1.00 20.50 H new ATOM 0 HD1 TYR B 106 11.916 -10.863 14.041 1.00 75.51 H new ATOM 0 HD2 TYR B 106 12.543 -14.383 11.707 1.00 32.22 H new ATOM 0 HE1 TYR B 106 13.398 -9.606 12.559 1.00 24.04 H new ATOM 0 HE2 TYR B 106 14.052 -13.117 10.231 1.00 73.03 H new ATOM 0 HH TYR B 106 14.988 -11.158 9.776 1.00 32.32 H new ATOM 878 N GLU B 107 8.766 -14.735 12.374 1.00 43.24 N ATOM 879 CA GLU B 107 8.244 -15.389 11.162 1.00 11.15 C ATOM 880 C GLU B 107 6.817 -14.931 10.785 1.00 53.21 C ATOM 881 O GLU B 107 6.523 -14.800 9.603 1.00 13.02 O ATOM 882 CB GLU B 107 8.266 -16.914 11.380 1.00 51.10 C ATOM 883 CG GLU B 107 9.670 -17.514 11.542 1.00 22.31 C ATOM 884 CD GLU B 107 9.632 -19.014 11.857 1.00 23.01 C ATOM 885 OE1 GLU B 107 10.034 -19.422 12.972 1.00 45.22 O ATOM 886 OE2 GLU B 107 9.170 -19.794 10.996 1.00 75.42 O ATOM 0 H GLU B 107 8.880 -15.376 13.159 1.00 43.24 H new ATOM 0 HA GLU B 107 8.885 -15.101 10.329 1.00 11.15 H new ATOM 0 HB2 GLU B 107 7.679 -17.150 12.268 1.00 51.10 H new ATOM 0 HB3 GLU B 107 7.774 -17.396 10.535 1.00 51.10 H new ATOM 0 HG2 GLU B 107 10.239 -17.352 10.627 1.00 22.31 H new ATOM 0 HG3 GLU B 107 10.196 -16.991 12.341 1.00 22.31 H new ATOM 893 N GLN B 108 5.936 -14.722 11.792 1.00 41.23 N ATOM 894 CA GLN B 108 4.498 -14.411 11.553 1.00 55.31 C ATOM 895 C GLN B 108 4.322 -13.020 10.951 1.00 5.32 C ATOM 896 O GLN B 108 3.684 -12.869 9.895 1.00 52.31 O ATOM 897 CB GLN B 108 3.620 -14.520 12.841 1.00 53.33 C ATOM 898 CG GLN B 108 3.655 -15.887 13.563 1.00 25.41 C ATOM 899 CD GLN B 108 3.686 -17.102 12.628 1.00 54.23 C ATOM 900 OE1 GLN B 108 2.648 -17.638 12.230 1.00 71.44 O ATOM 901 NE2 GLN B 108 4.890 -17.536 12.269 1.00 23.53 N ATOM 0 H GLN B 108 6.192 -14.762 12.779 1.00 41.23 H new ATOM 0 HA GLN B 108 4.154 -15.168 10.848 1.00 55.31 H new ATOM 0 HB2 GLN B 108 3.941 -13.751 13.543 1.00 53.33 H new ATOM 0 HB3 GLN B 108 2.587 -14.297 12.574 1.00 53.33 H new ATOM 0 HG2 GLN B 108 4.532 -15.920 14.209 1.00 25.41 H new ATOM 0 HG3 GLN B 108 2.781 -15.964 14.209 1.00 25.41 H new ATOM 0 HE21 GLN B 108 5.726 -17.067 12.618 1.00 23.53 H new ATOM 0 HE22 GLN B 108 4.978 -18.338 11.644 1.00 23.53 H new ATOM 910 N ILE B 109 4.881 -11.999 11.638 1.00 74.31 N ATOM 911 CA ILE B 109 4.782 -10.611 11.167 1.00 23.01 C ATOM 912 C ILE B 109 5.580 -10.437 9.855 1.00 22.43 C ATOM 913 O ILE B 109 5.176 -9.667 8.994 1.00 13.44 O ATOM 914 CB ILE B 109 5.274 -9.559 12.227 1.00 32.50 C ATOM 915 CG1 ILE B 109 4.655 -9.824 13.633 1.00 61.23 C ATOM 916 CG2 ILE B 109 4.926 -8.119 11.757 1.00 42.20 C ATOM 917 CD1 ILE B 109 5.113 -8.838 14.688 1.00 32.40 C ATOM 0 H ILE B 109 5.398 -12.113 12.510 1.00 74.31 H new ATOM 0 HA ILE B 109 3.723 -10.418 10.995 1.00 23.01 H new ATOM 0 HB ILE B 109 6.356 -9.660 12.313 1.00 32.50 H new ATOM 0 HG12 ILE B 109 3.568 -9.784 13.557 1.00 61.23 H new ATOM 0 HG13 ILE B 109 4.915 -10.833 13.952 1.00 61.23 H new ATOM 0 HG21 ILE B 109 5.272 -7.400 12.500 1.00 42.20 H new ATOM 0 HG22 ILE B 109 5.415 -7.919 10.804 1.00 42.20 H new ATOM 0 HG23 ILE B 109 3.847 -8.026 11.638 1.00 42.20 H new ATOM 0 HD11 ILE B 109 4.644 -9.081 15.641 1.00 32.40 H new ATOM 0 HD12 ILE B 109 6.197 -8.894 14.792 1.00 32.40 H new ATOM 0 HD13 ILE B 109 4.829 -7.829 14.391 1.00 32.40 H new ATOM 929 N LEU B 110 6.716 -11.163 9.728 1.00 13.14 N ATOM 930 CA LEU B 110 7.551 -11.154 8.493 1.00 62.23 C ATOM 931 C LEU B 110 6.806 -11.827 7.322 1.00 51.24 C ATOM 932 O LEU B 110 6.966 -11.407 6.189 1.00 24.12 O ATOM 933 CB LEU B 110 8.949 -11.815 8.746 1.00 40.43 C ATOM 934 CG LEU B 110 10.139 -11.443 7.780 1.00 15.13 C ATOM 935 CD1 LEU B 110 10.072 -12.165 6.409 1.00 50.15 C ATOM 936 CD2 LEU B 110 10.241 -9.906 7.601 1.00 52.54 C ATOM 0 H LEU B 110 7.080 -11.766 10.466 1.00 13.14 H new ATOM 0 HA LEU B 110 7.732 -10.116 8.216 1.00 62.23 H new ATOM 0 HB2 LEU B 110 9.255 -11.566 9.762 1.00 40.43 H new ATOM 0 HB3 LEU B 110 8.817 -12.896 8.709 1.00 40.43 H new ATOM 0 HG LEU B 110 11.049 -11.803 8.261 1.00 15.13 H new ATOM 0 HD11 LEU B 110 10.921 -11.862 5.796 1.00 50.15 H new ATOM 0 HD12 LEU B 110 10.103 -13.244 6.564 1.00 50.15 H new ATOM 0 HD13 LEU B 110 9.145 -11.898 5.902 1.00 50.15 H new ATOM 0 HD21 LEU B 110 11.068 -9.672 6.931 1.00 52.54 H new ATOM 0 HD22 LEU B 110 9.312 -9.527 7.176 1.00 52.54 H new ATOM 0 HD23 LEU B 110 10.415 -9.438 8.570 1.00 52.54 H new ATOM 948 N ALA B 111 5.996 -12.865 7.610 1.00 40.23 N ATOM 949 CA ALA B 111 5.149 -13.527 6.584 1.00 71.44 C ATOM 950 C ALA B 111 4.035 -12.580 6.104 1.00 61.33 C ATOM 951 O ALA B 111 3.642 -12.603 4.931 1.00 1.15 O ATOM 952 CB ALA B 111 4.538 -14.830 7.126 1.00 20.42 C ATOM 0 H ALA B 111 5.907 -13.267 8.543 1.00 40.23 H new ATOM 0 HA ALA B 111 5.788 -13.775 5.736 1.00 71.44 H new ATOM 0 HB1 ALA B 111 3.923 -15.292 6.354 1.00 20.42 H new ATOM 0 HB2 ALA B 111 5.336 -15.515 7.413 1.00 20.42 H new ATOM 0 HB3 ALA B 111 3.921 -14.608 7.996 1.00 20.42 H new ATOM 958 N GLU B 112 3.531 -11.750 7.036 1.00 1.55 N ATOM 959 CA GLU B 112 2.504 -10.737 6.739 1.00 44.30 C ATOM 960 C GLU B 112 3.132 -9.558 5.967 1.00 31.44 C ATOM 961 O GLU B 112 2.538 -9.027 5.032 1.00 75.54 O ATOM 962 CB GLU B 112 1.842 -10.246 8.060 1.00 41.43 C ATOM 963 CG GLU B 112 0.486 -9.525 7.871 1.00 0.41 C ATOM 964 CD GLU B 112 -0.631 -10.414 7.276 1.00 2.52 C ATOM 965 OE1 GLU B 112 -1.512 -9.886 6.579 1.00 50.10 O ATOM 966 OE2 GLU B 112 -0.644 -11.637 7.506 1.00 72.33 O ATOM 0 H GLU B 112 3.824 -11.763 8.013 1.00 1.55 H new ATOM 0 HA GLU B 112 1.731 -11.183 6.113 1.00 44.30 H new ATOM 0 HB2 GLU B 112 1.695 -11.103 8.718 1.00 41.43 H new ATOM 0 HB3 GLU B 112 2.531 -9.570 8.567 1.00 41.43 H new ATOM 0 HG2 GLU B 112 0.154 -9.142 8.836 1.00 0.41 H new ATOM 0 HG3 GLU B 112 0.634 -8.663 7.220 1.00 0.41 H new ATOM 973 N ASN B 113 4.372 -9.217 6.367 1.00 22.13 N ATOM 974 CA ASN B 113 5.196 -8.143 5.774 1.00 33.21 C ATOM 975 C ASN B 113 5.594 -8.544 4.333 1.00 42.12 C ATOM 976 O ASN B 113 5.553 -7.727 3.404 1.00 52.10 O ATOM 977 CB ASN B 113 6.452 -7.932 6.676 1.00 32.44 C ATOM 978 CG ASN B 113 7.306 -6.719 6.312 1.00 30.35 C ATOM 979 OD1 ASN B 113 8.174 -6.797 5.450 1.00 43.22 O ATOM 980 ND2 ASN B 113 7.094 -5.592 6.990 1.00 65.44 N ATOM 0 H ASN B 113 4.843 -9.695 7.135 1.00 22.13 H new ATOM 0 HA ASN B 113 4.641 -7.207 5.721 1.00 33.21 H new ATOM 0 HB2 ASN B 113 6.126 -7.831 7.711 1.00 32.44 H new ATOM 0 HB3 ASN B 113 7.074 -8.826 6.623 1.00 32.44 H new ATOM 0 HD21 ASN B 113 7.661 -4.766 6.797 1.00 65.44 H new ATOM 0 HD22 ASN B 113 6.365 -5.555 7.702 1.00 65.44 H new ATOM 987 N GLU B 114 5.902 -9.851 4.176 1.00 33.24 N ATOM 988 CA GLU B 114 6.208 -10.508 2.886 1.00 41.13 C ATOM 989 C GLU B 114 5.019 -10.337 1.944 1.00 65.45 C ATOM 990 O GLU B 114 5.168 -9.877 0.802 1.00 11.31 O ATOM 991 CB GLU B 114 6.517 -12.035 3.113 1.00 5.10 C ATOM 992 CG GLU B 114 5.946 -12.997 2.040 1.00 21.15 C ATOM 993 CD GLU B 114 6.212 -14.474 2.334 1.00 41.14 C ATOM 994 OE1 GLU B 114 5.484 -15.057 3.168 1.00 42.42 O ATOM 995 OE2 GLU B 114 7.134 -15.062 1.736 1.00 32.22 O ATOM 0 H GLU B 114 5.946 -10.495 4.965 1.00 33.24 H new ATOM 0 HA GLU B 114 7.089 -10.046 2.441 1.00 41.13 H new ATOM 0 HB2 GLU B 114 7.598 -12.167 3.156 1.00 5.10 H new ATOM 0 HB3 GLU B 114 6.121 -12.327 4.086 1.00 5.10 H new ATOM 0 HG2 GLU B 114 4.870 -12.840 1.959 1.00 21.15 H new ATOM 0 HG3 GLU B 114 6.378 -12.745 1.072 1.00 21.15 H new ATOM 1002 N LYS B 115 3.833 -10.694 2.478 1.00 35.43 N ATOM 1003 CA LYS B 115 2.565 -10.607 1.760 1.00 75.20 C ATOM 1004 C LYS B 115 2.351 -9.177 1.246 1.00 52.41 C ATOM 1005 O LYS B 115 1.881 -8.976 0.133 1.00 73.51 O ATOM 1006 CB LYS B 115 1.393 -11.005 2.696 1.00 4.32 C ATOM 1007 CG LYS B 115 -0.009 -11.001 2.019 1.00 61.04 C ATOM 1008 CD LYS B 115 -1.148 -10.509 2.945 1.00 73.31 C ATOM 1009 CE LYS B 115 -1.001 -9.024 3.318 1.00 5.41 C ATOM 1010 NZ LYS B 115 -2.178 -8.526 4.070 1.00 15.44 N ATOM 0 H LYS B 115 3.738 -11.053 3.428 1.00 35.43 H new ATOM 0 HA LYS B 115 2.594 -11.293 0.913 1.00 75.20 H new ATOM 0 HB2 LYS B 115 1.586 -12.001 3.095 1.00 4.32 H new ATOM 0 HB3 LYS B 115 1.374 -10.320 3.544 1.00 4.32 H new ATOM 0 HG2 LYS B 115 0.027 -10.366 1.134 1.00 61.04 H new ATOM 0 HG3 LYS B 115 -0.241 -12.010 1.678 1.00 61.04 H new ATOM 0 HD2 LYS B 115 -2.107 -10.663 2.450 1.00 73.31 H new ATOM 0 HD3 LYS B 115 -1.158 -11.110 3.854 1.00 73.31 H new ATOM 0 HE2 LYS B 115 -0.102 -8.887 3.918 1.00 5.41 H new ATOM 0 HE3 LYS B 115 -0.872 -8.433 2.412 1.00 5.41 H new ATOM 0 HZ1 LYS B 115 -2.158 -7.487 4.098 1.00 15.44 H new ATOM 0 HZ2 LYS B 115 -3.050 -8.843 3.600 1.00 15.44 H new ATOM 0 HZ3 LYS B 115 -2.153 -8.899 5.041 1.00 15.44 H new ATOM 1024 N LEU B 116 2.764 -8.197 2.079 1.00 71.24 N ATOM 1025 CA LEU B 116 2.660 -6.773 1.762 1.00 61.51 C ATOM 1026 C LEU B 116 3.572 -6.359 0.585 1.00 11.14 C ATOM 1027 O LEU B 116 3.190 -5.492 -0.195 1.00 42.55 O ATOM 1028 CB LEU B 116 2.919 -5.913 3.016 1.00 64.11 C ATOM 1029 CG LEU B 116 1.886 -6.086 4.171 1.00 54.22 C ATOM 1030 CD1 LEU B 116 2.327 -5.343 5.439 1.00 32.41 C ATOM 1031 CD2 LEU B 116 0.476 -5.646 3.740 1.00 32.34 C ATOM 0 H LEU B 116 3.179 -8.382 2.992 1.00 71.24 H new ATOM 0 HA LEU B 116 1.638 -6.590 1.431 1.00 61.51 H new ATOM 0 HB2 LEU B 116 3.911 -6.151 3.400 1.00 64.11 H new ATOM 0 HB3 LEU B 116 2.935 -4.864 2.720 1.00 64.11 H new ATOM 0 HG LEU B 116 1.845 -7.150 4.406 1.00 54.22 H new ATOM 0 HD11 LEU B 116 1.583 -5.486 6.222 1.00 32.41 H new ATOM 0 HD12 LEU B 116 3.287 -5.735 5.775 1.00 32.41 H new ATOM 0 HD13 LEU B 116 2.425 -4.279 5.222 1.00 32.41 H new ATOM 0 HD21 LEU B 116 -0.217 -5.781 4.570 1.00 32.34 H new ATOM 0 HD22 LEU B 116 0.495 -4.595 3.450 1.00 32.34 H new ATOM 0 HD23 LEU B 116 0.149 -6.250 2.893 1.00 32.34 H new ATOM 1043 N LYS B 117 4.756 -6.989 0.437 1.00 2.23 N ATOM 1044 CA LYS B 117 5.620 -6.764 -0.767 1.00 51.31 C ATOM 1045 C LYS B 117 4.964 -7.337 -2.042 1.00 12.12 C ATOM 1046 O LYS B 117 5.049 -6.731 -3.122 1.00 11.42 O ATOM 1047 CB LYS B 117 7.079 -7.317 -0.613 1.00 4.14 C ATOM 1048 CG LYS B 117 8.083 -6.334 0.052 1.00 10.20 C ATOM 1049 CD LYS B 117 7.971 -6.260 1.587 1.00 61.34 C ATOM 1050 CE LYS B 117 8.435 -7.555 2.277 1.00 2.22 C ATOM 1051 NZ LYS B 117 9.861 -7.870 2.013 1.00 73.01 N ATOM 0 H LYS B 117 5.140 -7.647 1.115 1.00 2.23 H new ATOM 0 HA LYS B 117 5.708 -5.682 -0.861 1.00 51.31 H new ATOM 0 HB2 LYS B 117 7.045 -8.233 -0.023 1.00 4.14 H new ATOM 0 HB3 LYS B 117 7.456 -7.587 -1.599 1.00 4.14 H new ATOM 0 HG2 LYS B 117 9.097 -6.633 -0.213 1.00 10.20 H new ATOM 0 HG3 LYS B 117 7.926 -5.338 -0.361 1.00 10.20 H new ATOM 0 HD2 LYS B 117 8.568 -5.424 1.951 1.00 61.34 H new ATOM 0 HD3 LYS B 117 6.936 -6.056 1.863 1.00 61.34 H new ATOM 0 HE2 LYS B 117 8.281 -7.463 3.352 1.00 2.22 H new ATOM 0 HE3 LYS B 117 7.816 -8.385 1.936 1.00 2.22 H new ATOM 0 HZ1 LYS B 117 10.169 -8.638 2.643 1.00 73.01 H new ATOM 0 HZ2 LYS B 117 9.973 -8.168 1.023 1.00 73.01 H new ATOM 0 HZ3 LYS B 117 10.441 -7.025 2.188 1.00 73.01 H new ATOM 1065 N ALA B 118 4.292 -8.488 -1.894 1.00 31.23 N ATOM 1066 CA ALA B 118 3.664 -9.192 -3.021 1.00 24.33 C ATOM 1067 C ALA B 118 2.447 -8.405 -3.541 1.00 13.10 C ATOM 1068 O ALA B 118 2.333 -8.131 -4.747 1.00 61.53 O ATOM 1069 CB ALA B 118 3.269 -10.614 -2.589 1.00 44.51 C ATOM 0 H ALA B 118 4.169 -8.955 -0.995 1.00 31.23 H new ATOM 0 HA ALA B 118 4.379 -9.267 -3.840 1.00 24.33 H new ATOM 0 HB1 ALA B 118 2.804 -11.133 -3.427 1.00 44.51 H new ATOM 0 HB2 ALA B 118 4.159 -11.159 -2.274 1.00 44.51 H new ATOM 0 HB3 ALA B 118 2.564 -10.560 -1.759 1.00 44.51 H new ATOM 1075 N GLN B 119 1.570 -8.014 -2.600 1.00 62.23 N ATOM 1076 CA GLN B 119 0.314 -7.317 -2.905 1.00 5.22 C ATOM 1077 C GLN B 119 0.586 -5.913 -3.455 1.00 0.45 C ATOM 1078 O GLN B 119 -0.097 -5.486 -4.374 1.00 31.44 O ATOM 1079 CB GLN B 119 -0.617 -7.280 -1.648 1.00 53.25 C ATOM 1080 CG GLN B 119 -0.041 -6.533 -0.423 1.00 34.43 C ATOM 1081 CD GLN B 119 -0.277 -5.025 -0.402 1.00 55.30 C ATOM 1082 OE1 GLN B 119 -1.288 -4.521 -0.889 1.00 43.01 O ATOM 1083 NE2 GLN B 119 0.682 -4.285 0.135 1.00 43.12 N ATOM 0 H GLN B 119 1.716 -8.175 -1.603 1.00 62.23 H new ATOM 0 HA GLN B 119 -0.209 -7.873 -3.684 1.00 5.22 H new ATOM 0 HB2 GLN B 119 -1.560 -6.812 -1.928 1.00 53.25 H new ATOM 0 HB3 GLN B 119 -0.845 -8.305 -1.354 1.00 53.25 H new ATOM 0 HG2 GLN B 119 -0.474 -6.964 0.480 1.00 34.43 H new ATOM 0 HG3 GLN B 119 1.033 -6.716 -0.380 1.00 34.43 H new ATOM 0 HE21 GLN B 119 1.509 -4.731 0.531 1.00 43.12 H new ATOM 0 HE22 GLN B 119 0.593 -3.269 0.152 1.00 43.12 H new ATOM 1092 N LEU B 120 1.607 -5.194 -2.892 1.00 14.35 N ATOM 1093 CA LEU B 120 1.932 -3.823 -3.348 1.00 2.00 C ATOM 1094 C LEU B 120 2.442 -3.875 -4.781 1.00 60.02 C ATOM 1095 O LEU B 120 2.086 -3.029 -5.591 1.00 32.53 O ATOM 1096 CB LEU B 120 2.935 -3.080 -2.391 1.00 4.41 C ATOM 1097 CG LEU B 120 4.492 -3.380 -2.492 1.00 1.43 C ATOM 1098 CD1 LEU B 120 5.204 -2.555 -3.604 1.00 74.15 C ATOM 1099 CD2 LEU B 120 5.204 -3.156 -1.140 1.00 65.21 C ATOM 0 H LEU B 120 2.201 -5.541 -2.139 1.00 14.35 H new ATOM 0 HA LEU B 120 1.017 -3.231 -3.317 1.00 2.00 H new ATOM 0 HB2 LEU B 120 2.799 -2.010 -2.546 1.00 4.41 H new ATOM 0 HB3 LEU B 120 2.628 -3.296 -1.368 1.00 4.41 H new ATOM 0 HG LEU B 120 4.567 -4.432 -2.766 1.00 1.43 H new ATOM 0 HD11 LEU B 120 6.265 -2.806 -3.621 1.00 74.15 H new ATOM 0 HD12 LEU B 120 4.760 -2.789 -4.572 1.00 74.15 H new ATOM 0 HD13 LEU B 120 5.086 -1.491 -3.399 1.00 74.15 H new ATOM 0 HD21 LEU B 120 6.267 -3.371 -1.249 1.00 65.21 H new ATOM 0 HD22 LEU B 120 5.073 -2.120 -0.827 1.00 65.21 H new ATOM 0 HD23 LEU B 120 4.775 -3.819 -0.389 1.00 65.21 H new ATOM 1111 N HIS B 121 3.272 -4.907 -5.072 1.00 41.24 N ATOM 1112 CA HIS B 121 3.833 -5.134 -6.410 1.00 20.25 C ATOM 1113 C HIS B 121 2.695 -5.271 -7.434 1.00 12.13 C ATOM 1114 O HIS B 121 2.718 -4.619 -8.478 1.00 14.45 O ATOM 1115 CB HIS B 121 4.748 -6.394 -6.417 1.00 1.40 C ATOM 1116 CG HIS B 121 5.354 -6.720 -7.765 1.00 64.34 C ATOM 1117 ND1 HIS B 121 6.567 -6.217 -8.191 1.00 34.14 N ATOM 1118 CD2 HIS B 121 4.899 -7.487 -8.790 1.00 5.05 C ATOM 1119 CE1 HIS B 121 6.826 -6.658 -9.407 1.00 55.41 C ATOM 1120 NE2 HIS B 121 5.831 -7.429 -9.790 1.00 41.01 N ATOM 0 H HIS B 121 3.565 -5.599 -4.382 1.00 41.24 H new ATOM 0 HA HIS B 121 4.449 -4.278 -6.687 1.00 20.25 H new ATOM 0 HB2 HIS B 121 5.553 -6.247 -5.697 1.00 1.40 H new ATOM 0 HB3 HIS B 121 4.167 -7.251 -6.076 1.00 1.40 H new ATOM 0 HD2 HIS B 121 3.972 -8.041 -8.811 1.00 5.05 H new ATOM 0 HE1 HIS B 121 7.705 -6.426 -9.989 1.00 55.41 H new ATOM 0 HE2 HIS B 121 5.765 -7.907 -10.689 1.00 41.01 H new ATOM 1129 N ASP B 122 1.681 -6.087 -7.082 1.00 23.12 N ATOM 1130 CA ASP B 122 0.529 -6.360 -7.961 1.00 5.42 C ATOM 1131 C ASP B 122 -0.379 -5.119 -8.101 1.00 71.15 C ATOM 1132 O ASP B 122 -0.847 -4.827 -9.197 1.00 63.35 O ATOM 1133 CB ASP B 122 -0.285 -7.575 -7.451 1.00 42.43 C ATOM 1134 CG ASP B 122 -1.355 -8.038 -8.469 1.00 52.02 C ATOM 1135 OD1 ASP B 122 -0.990 -8.707 -9.462 1.00 62.01 O ATOM 1136 OD2 ASP B 122 -2.557 -7.736 -8.294 1.00 2.13 O ATOM 0 H ASP B 122 1.639 -6.572 -6.186 1.00 23.12 H new ATOM 0 HA ASP B 122 0.922 -6.602 -8.948 1.00 5.42 H new ATOM 0 HB2 ASP B 122 0.394 -8.401 -7.241 1.00 42.43 H new ATOM 0 HB3 ASP B 122 -0.771 -7.314 -6.511 1.00 42.43 H new ATOM 1141 N THR B 123 -0.582 -4.381 -6.987 1.00 24.23 N ATOM 1142 CA THR B 123 -1.400 -3.144 -6.965 1.00 21.42 C ATOM 1143 C THR B 123 -0.733 -2.048 -7.832 1.00 20.54 C ATOM 1144 O THR B 123 -1.414 -1.233 -8.468 1.00 43.02 O ATOM 1145 CB THR B 123 -1.615 -2.617 -5.495 1.00 11.13 C ATOM 1146 OG1 THR B 123 -2.114 -3.666 -4.650 1.00 52.20 O ATOM 1147 CG2 THR B 123 -2.612 -1.444 -5.431 1.00 62.44 C ATOM 0 H THR B 123 -0.185 -4.624 -6.079 1.00 24.23 H new ATOM 0 HA THR B 123 -2.379 -3.385 -7.379 1.00 21.42 H new ATOM 0 HB THR B 123 -0.640 -2.272 -5.151 1.00 11.13 H new ATOM 0 HG1 THR B 123 -1.390 -4.295 -4.448 1.00 52.20 H new ATOM 0 HG21 THR B 123 -2.725 -1.118 -4.397 1.00 62.44 H new ATOM 0 HG22 THR B 123 -2.239 -0.616 -6.034 1.00 62.44 H new ATOM 0 HG23 THR B 123 -3.579 -1.767 -5.817 1.00 62.44 H new ATOM 1155 N ASN B 124 0.617 -2.073 -7.871 1.00 42.31 N ATOM 1156 CA ASN B 124 1.421 -1.170 -8.716 1.00 24.22 C ATOM 1157 C ASN B 124 1.309 -1.577 -10.192 1.00 54.14 C ATOM 1158 O ASN B 124 1.312 -0.715 -11.053 1.00 53.53 O ATOM 1159 CB ASN B 124 2.920 -1.148 -8.284 1.00 73.44 C ATOM 1160 CG ASN B 124 3.221 -0.346 -7.005 1.00 73.11 C ATOM 1161 OD1 ASN B 124 2.337 -0.372 -6.014 1.00 65.51 O flip ATOM 1162 ND2 ASN B 124 4.275 0.279 -6.897 1.00 13.52 N flip ATOM 0 H ASN B 124 1.178 -2.720 -7.317 1.00 42.31 H new ATOM 0 HA ASN B 124 1.022 -0.164 -8.586 1.00 24.22 H new ATOM 0 HB2 ASN B 124 3.254 -2.175 -8.137 1.00 73.44 H new ATOM 0 HB3 ASN B 124 3.511 -0.734 -9.101 1.00 73.44 H new ATOM 0 HD21 ASN B 124 4.943 0.289 -7.667 1.00 13.52 H new ATOM 0 HD22 ASN B 124 4.481 0.787 -6.037 1.00 13.52 H new ATOM 1169 N MET B 125 1.226 -2.896 -10.468 1.00 34.04 N ATOM 1170 CA MET B 125 1.045 -3.426 -11.839 1.00 31.13 C ATOM 1171 C MET B 125 -0.314 -3.013 -12.431 1.00 50.23 C ATOM 1172 O MET B 125 -0.406 -2.696 -13.622 1.00 42.50 O ATOM 1173 CB MET B 125 1.171 -4.967 -11.828 1.00 1.50 C ATOM 1174 CG MET B 125 2.571 -5.466 -11.465 1.00 32.32 C ATOM 1175 SD MET B 125 3.795 -5.186 -12.762 1.00 45.04 S ATOM 1176 CE MET B 125 3.104 -6.129 -14.122 1.00 31.24 C ATOM 0 H MET B 125 1.282 -3.621 -9.752 1.00 34.04 H new ATOM 0 HA MET B 125 1.826 -3.000 -12.469 1.00 31.13 H new ATOM 0 HB2 MET B 125 0.453 -5.377 -11.117 1.00 1.50 H new ATOM 0 HB3 MET B 125 0.901 -5.352 -12.811 1.00 1.50 H new ATOM 0 HG2 MET B 125 2.900 -4.969 -10.553 1.00 32.32 H new ATOM 0 HG3 MET B 125 2.522 -6.533 -11.247 1.00 32.32 H new ATOM 0 HE1 MET B 125 3.894 -6.377 -14.831 1.00 31.24 H new ATOM 0 HE2 MET B 125 2.659 -7.047 -13.739 1.00 31.24 H new ATOM 0 HE3 MET B 125 2.339 -5.537 -14.624 1.00 31.24 H new ATOM 1186 N GLU B 126 -1.363 -3.020 -11.581 1.00 44.42 N ATOM 1187 CA GLU B 126 -2.711 -2.558 -11.971 1.00 71.12 C ATOM 1188 C GLU B 126 -2.667 -1.046 -12.248 1.00 21.32 C ATOM 1189 O GLU B 126 -3.196 -0.574 -13.244 1.00 73.23 O ATOM 1190 CB GLU B 126 -3.752 -2.836 -10.855 1.00 20.32 C ATOM 1191 CG GLU B 126 -3.729 -4.243 -10.258 1.00 74.22 C ATOM 1192 CD GLU B 126 -4.824 -4.480 -9.206 1.00 64.02 C ATOM 1193 OE1 GLU B 126 -5.976 -4.771 -9.593 1.00 41.54 O ATOM 1194 OE2 GLU B 126 -4.545 -4.366 -7.991 1.00 34.12 O ATOM 0 H GLU B 126 -1.300 -3.343 -10.615 1.00 44.42 H new ATOM 0 HA GLU B 126 -3.011 -3.105 -12.865 1.00 71.12 H new ATOM 0 HB2 GLU B 126 -3.594 -2.118 -10.050 1.00 20.32 H new ATOM 0 HB3 GLU B 126 -4.747 -2.649 -11.258 1.00 20.32 H new ATOM 0 HG2 GLU B 126 -3.843 -4.972 -11.061 1.00 74.22 H new ATOM 0 HG3 GLU B 126 -2.754 -4.420 -9.803 1.00 74.22 H new ATOM 1201 N LEU B 127 -1.986 -0.326 -11.332 1.00 33.41 N ATOM 1202 CA LEU B 127 -1.791 1.135 -11.382 1.00 13.11 C ATOM 1203 C LEU B 127 -0.991 1.563 -12.636 1.00 72.45 C ATOM 1204 O LEU B 127 -1.273 2.604 -13.234 1.00 53.41 O ATOM 1205 CB LEU B 127 -1.046 1.587 -10.095 1.00 30.54 C ATOM 1206 CG LEU B 127 -0.767 3.116 -9.937 1.00 30.51 C ATOM 1207 CD1 LEU B 127 -2.068 3.919 -9.719 1.00 52.12 C ATOM 1208 CD2 LEU B 127 0.251 3.370 -8.807 1.00 54.45 C ATOM 0 H LEU B 127 -1.547 -0.757 -10.518 1.00 33.41 H new ATOM 0 HA LEU B 127 -2.768 1.614 -11.441 1.00 13.11 H new ATOM 0 HB2 LEU B 127 -1.627 1.258 -9.234 1.00 30.54 H new ATOM 0 HB3 LEU B 127 -0.091 1.062 -10.054 1.00 30.54 H new ATOM 0 HG LEU B 127 -0.331 3.471 -10.871 1.00 30.51 H new ATOM 0 HD11 LEU B 127 -1.829 4.977 -9.614 1.00 52.12 H new ATOM 0 HD12 LEU B 127 -2.729 3.779 -10.574 1.00 52.12 H new ATOM 0 HD13 LEU B 127 -2.565 3.568 -8.815 1.00 52.12 H new ATOM 0 HD21 LEU B 127 0.431 4.441 -8.714 1.00 54.45 H new ATOM 0 HD22 LEU B 127 -0.145 2.985 -7.867 1.00 54.45 H new ATOM 0 HD23 LEU B 127 1.188 2.863 -9.040 1.00 54.45 H new ATOM 1220 N THR B 128 0.003 0.736 -13.022 1.00 2.45 N ATOM 1221 CA THR B 128 0.873 0.989 -14.191 1.00 12.13 C ATOM 1222 C THR B 128 0.075 0.788 -15.488 1.00 31.21 C ATOM 1223 O THR B 128 0.148 1.608 -16.411 1.00 21.50 O ATOM 1224 CB THR B 128 2.135 0.053 -14.183 1.00 43.13 C ATOM 1225 OG1 THR B 128 2.926 0.307 -13.009 1.00 52.00 O ATOM 1226 CG2 THR B 128 3.022 0.231 -15.436 1.00 22.24 C ATOM 0 H THR B 128 0.226 -0.129 -12.530 1.00 2.45 H new ATOM 0 HA THR B 128 1.223 2.020 -14.135 1.00 12.13 H new ATOM 0 HB THR B 128 1.765 -0.972 -14.184 1.00 43.13 H new ATOM 0 HG1 THR B 128 2.521 -0.142 -12.238 1.00 52.00 H new ATOM 0 HG21 THR B 128 3.878 -0.441 -15.374 1.00 22.24 H new ATOM 0 HG22 THR B 128 2.441 -0.002 -16.329 1.00 22.24 H new ATOM 0 HG23 THR B 128 3.373 1.262 -15.490 1.00 22.24 H new ATOM 1234 N ASP B 129 -0.717 -0.300 -15.521 1.00 55.13 N ATOM 1235 CA ASP B 129 -1.608 -0.612 -16.647 1.00 41.42 C ATOM 1236 C ASP B 129 -2.703 0.458 -16.767 1.00 64.31 C ATOM 1237 O ASP B 129 -3.111 0.820 -17.867 1.00 62.51 O ATOM 1238 CB ASP B 129 -2.239 -2.015 -16.453 1.00 32.33 C ATOM 1239 CG ASP B 129 -3.171 -2.419 -17.614 1.00 63.11 C ATOM 1240 OD1 ASP B 129 -2.673 -2.928 -18.645 1.00 65.32 O ATOM 1241 OD2 ASP B 129 -4.401 -2.224 -17.517 1.00 75.10 O ATOM 0 H ASP B 129 -0.755 -0.985 -14.767 1.00 55.13 H new ATOM 0 HA ASP B 129 -1.026 -0.617 -17.569 1.00 41.42 H new ATOM 0 HB2 ASP B 129 -1.445 -2.755 -16.357 1.00 32.33 H new ATOM 0 HB3 ASP B 129 -2.802 -2.029 -15.520 1.00 32.33 H new ATOM 1246 N LEU B 130 -3.132 0.980 -15.607 1.00 2.21 N ATOM 1247 CA LEU B 130 -4.227 1.946 -15.516 1.00 64.13 C ATOM 1248 C LEU B 130 -3.767 3.314 -16.055 1.00 74.24 C ATOM 1249 O LEU B 130 -4.473 3.934 -16.853 1.00 71.31 O ATOM 1250 CB LEU B 130 -4.731 2.065 -14.042 1.00 23.31 C ATOM 1251 CG LEU B 130 -6.260 2.326 -13.855 1.00 41.04 C ATOM 1252 CD1 LEU B 130 -6.748 3.561 -14.641 1.00 3.41 C ATOM 1253 CD2 LEU B 130 -7.088 1.080 -14.232 1.00 32.35 C ATOM 0 H LEU B 130 -2.724 0.739 -14.704 1.00 2.21 H new ATOM 0 HA LEU B 130 -5.060 1.597 -16.127 1.00 64.13 H new ATOM 0 HB2 LEU B 130 -4.474 1.145 -13.517 1.00 23.31 H new ATOM 0 HB3 LEU B 130 -4.184 2.873 -13.557 1.00 23.31 H new ATOM 0 HG LEU B 130 -6.412 2.537 -12.797 1.00 41.04 H new ATOM 0 HD11 LEU B 130 -7.817 3.698 -14.477 1.00 3.41 H new ATOM 0 HD12 LEU B 130 -6.212 4.446 -14.298 1.00 3.41 H new ATOM 0 HD13 LEU B 130 -6.560 3.413 -15.704 1.00 3.41 H new ATOM 0 HD21 LEU B 130 -8.148 1.291 -14.092 1.00 32.35 H new ATOM 0 HD22 LEU B 130 -6.904 0.823 -15.275 1.00 32.35 H new ATOM 0 HD23 LEU B 130 -6.798 0.244 -13.596 1.00 32.35 H new ATOM 1265 N LYS B 131 -2.580 3.775 -15.607 1.00 73.25 N ATOM 1266 CA LYS B 131 -2.026 5.072 -16.042 1.00 31.33 C ATOM 1267 C LYS B 131 -1.614 4.995 -17.524 1.00 64.03 C ATOM 1268 O LYS B 131 -1.547 6.014 -18.209 1.00 32.14 O ATOM 1269 CB LYS B 131 -0.864 5.550 -15.096 1.00 35.31 C ATOM 1270 CG LYS B 131 0.460 4.737 -15.144 1.00 11.23 C ATOM 1271 CD LYS B 131 1.423 5.188 -16.277 1.00 54.55 C ATOM 1272 CE LYS B 131 2.412 4.098 -16.695 1.00 0.15 C ATOM 1273 NZ LYS B 131 3.106 4.462 -17.954 1.00 0.13 N ATOM 0 H LYS B 131 -1.990 3.269 -14.947 1.00 73.25 H new ATOM 0 HA LYS B 131 -2.798 5.837 -15.961 1.00 31.33 H new ATOM 0 HB2 LYS B 131 -0.634 6.588 -15.338 1.00 35.31 H new ATOM 0 HB3 LYS B 131 -1.234 5.536 -14.071 1.00 35.31 H new ATOM 0 HG2 LYS B 131 0.970 4.831 -14.185 1.00 11.23 H new ATOM 0 HG3 LYS B 131 0.224 3.681 -15.277 1.00 11.23 H new ATOM 0 HD2 LYS B 131 0.837 5.490 -17.145 1.00 54.55 H new ATOM 0 HD3 LYS B 131 1.978 6.066 -15.946 1.00 54.55 H new ATOM 0 HE2 LYS B 131 3.145 3.945 -15.903 1.00 0.15 H new ATOM 0 HE3 LYS B 131 1.883 3.154 -16.827 1.00 0.15 H new ATOM 0 HZ1 LYS B 131 3.771 3.706 -18.215 1.00 0.13 H new ATOM 0 HZ2 LYS B 131 2.406 4.585 -18.713 1.00 0.13 H new ATOM 0 HZ3 LYS B 131 3.629 5.351 -17.818 1.00 0.13 H new ATOM 1287 N LEU B 132 -1.348 3.755 -17.995 1.00 1.13 N ATOM 1288 CA LEU B 132 -1.093 3.465 -19.412 1.00 23.43 C ATOM 1289 C LEU B 132 -2.403 3.611 -20.217 1.00 63.53 C ATOM 1290 O LEU B 132 -2.419 4.231 -21.284 1.00 71.25 O ATOM 1291 CB LEU B 132 -0.482 2.048 -19.575 1.00 63.33 C ATOM 1292 CG LEU B 132 -0.025 1.664 -21.016 1.00 13.10 C ATOM 1293 CD1 LEU B 132 1.059 2.632 -21.544 1.00 12.23 C ATOM 1294 CD2 LEU B 132 0.447 0.189 -21.084 1.00 14.25 C ATOM 0 H LEU B 132 -1.306 2.930 -17.396 1.00 1.13 H new ATOM 0 HA LEU B 132 -0.369 4.181 -19.802 1.00 23.43 H new ATOM 0 HB2 LEU B 132 0.376 1.965 -18.908 1.00 63.33 H new ATOM 0 HB3 LEU B 132 -1.217 1.316 -19.241 1.00 63.33 H new ATOM 0 HG LEU B 132 -0.891 1.760 -21.671 1.00 13.10 H new ATOM 0 HD11 LEU B 132 1.354 2.334 -22.550 1.00 12.23 H new ATOM 0 HD12 LEU B 132 0.661 3.646 -21.568 1.00 12.23 H new ATOM 0 HD13 LEU B 132 1.928 2.599 -20.887 1.00 12.23 H new ATOM 0 HD21 LEU B 132 0.759 -0.047 -22.102 1.00 14.25 H new ATOM 0 HD22 LEU B 132 1.287 0.044 -20.404 1.00 14.25 H new ATOM 0 HD23 LEU B 132 -0.372 -0.469 -20.794 1.00 14.25 H new ATOM 1306 N GLN B 133 -3.512 3.072 -19.661 1.00 65.25 N ATOM 1307 CA GLN B 133 -4.869 3.241 -20.232 1.00 52.52 C ATOM 1308 C GLN B 133 -5.271 4.723 -20.200 1.00 11.44 C ATOM 1309 O GLN B 133 -6.026 5.174 -21.047 1.00 1.42 O ATOM 1310 CB GLN B 133 -5.934 2.424 -19.449 1.00 34.33 C ATOM 1311 CG GLN B 133 -5.815 0.900 -19.544 1.00 33.20 C ATOM 1312 CD GLN B 133 -6.916 0.184 -18.765 1.00 35.33 C ATOM 1313 OE1 GLN B 133 -6.707 -0.005 -17.472 1.00 52.24 O flip ATOM 1314 NE2 GLN B 133 -7.968 -0.147 -19.314 1.00 70.45 N flip ATOM 0 H GLN B 133 -3.493 2.511 -18.809 1.00 65.25 H new ATOM 0 HA GLN B 133 -4.834 2.874 -21.258 1.00 52.52 H new ATOM 0 HB2 GLN B 133 -5.880 2.708 -18.398 1.00 34.33 H new ATOM 0 HB3 GLN B 133 -6.922 2.714 -19.807 1.00 34.33 H new ATOM 0 HG2 GLN B 133 -5.859 0.599 -20.591 1.00 33.20 H new ATOM 0 HG3 GLN B 133 -4.842 0.589 -19.163 1.00 33.20 H new ATOM 0 HE21 GLN B 133 -8.094 0.014 -20.313 1.00 70.45 H new ATOM 0 HE22 GLN B 133 -8.713 -0.582 -18.769 1.00 70.45 H new ATOM 1323 N LEU B 134 -4.749 5.445 -19.192 1.00 23.45 N ATOM 1324 CA LEU B 134 -5.048 6.865 -18.955 1.00 22.12 C ATOM 1325 C LEU B 134 -4.477 7.686 -20.116 1.00 35.00 C ATOM 1326 O LEU B 134 -5.201 8.420 -20.777 1.00 65.11 O ATOM 1327 CB LEU B 134 -4.448 7.309 -17.578 1.00 43.03 C ATOM 1328 CG LEU B 134 -5.233 8.372 -16.748 1.00 45.31 C ATOM 1329 CD1 LEU B 134 -5.372 9.723 -17.482 1.00 2.33 C ATOM 1330 CD2 LEU B 134 -6.606 7.804 -16.305 1.00 11.24 C ATOM 0 H LEU B 134 -4.099 5.051 -18.511 1.00 23.45 H new ATOM 0 HA LEU B 134 -6.125 7.029 -18.910 1.00 22.12 H new ATOM 0 HB2 LEU B 134 -4.335 6.418 -16.960 1.00 43.03 H new ATOM 0 HB3 LEU B 134 -3.447 7.700 -17.760 1.00 43.03 H new ATOM 0 HG LEU B 134 -4.647 8.586 -15.854 1.00 45.31 H new ATOM 0 HD11 LEU B 134 -5.927 10.422 -16.856 1.00 2.33 H new ATOM 0 HD12 LEU B 134 -4.382 10.128 -17.689 1.00 2.33 H new ATOM 0 HD13 LEU B 134 -5.906 9.574 -18.420 1.00 2.33 H new ATOM 0 HD21 LEU B 134 -7.142 8.557 -15.727 1.00 11.24 H new ATOM 0 HD22 LEU B 134 -7.191 7.538 -17.185 1.00 11.24 H new ATOM 0 HD23 LEU B 134 -6.452 6.917 -15.691 1.00 11.24 H new