USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 491 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 18 GLN : amide:sc= -3.67! C(o=-3.6!,f=-4.5!) USER MOD Set 1.2: B 21 SER OG : rot 150:sc= 0.0369 USER MOD Set 2.1: B 16 SER OG : rot -47:sc= 1.16 USER MOD Set 2.2: B 19 THR OG1 : rot -150:sc= 0.889 USER MOD Single : A 5 THR OG1 : rot 10:sc= 1.88 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -128:sc= 1.27 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.098 K(o=-0.098,f=-4.2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.856 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 42:sc= 0.19 USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.15) USER MOD Single : A 42 MET CE :methyl 158:sc= -2.17 (180deg=-5!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 THR OG1 : rot 51:sc= 1.37 USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 TYR OH : rot 30:sc= 0 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ -108:sc= 1.14 (180deg=-0.0598) USER MOD Single : B 42 MET CE :methyl 150:sc= -1.97 (180deg=-4.53!) USER MOD ----------------------------------------------------------------- ATOM 72 N THR A 5 -6.671 0.520 -10.821 1.00 3.14 N ATOM 73 CA THR A 5 -6.562 0.675 -9.390 1.00 3.01 C ATOM 74 C THR A 5 -7.961 0.526 -8.851 1.00 2.85 C ATOM 75 O THR A 5 -8.920 0.671 -9.609 1.00 2.89 O ATOM 76 CB THR A 5 -5.973 2.043 -8.990 1.00 3.29 C ATOM 77 OG1 THR A 5 -5.810 2.879 -10.145 1.00 3.55 O ATOM 78 CG2 THR A 5 -4.631 1.864 -8.305 1.00 3.52 C ATOM 0 HA THR A 5 -5.881 -0.071 -8.980 1.00 3.01 H new ATOM 0 HB THR A 5 -6.668 2.520 -8.299 1.00 3.29 H new ATOM 0 HG1 THR A 5 -6.248 2.461 -10.916 1.00 3.55 H new ATOM 0 HG21 THR A 5 -4.230 2.839 -8.030 1.00 3.52 H new ATOM 0 HG22 THR A 5 -4.758 1.258 -7.408 1.00 3.52 H new ATOM 0 HG23 THR A 5 -3.939 1.366 -8.984 1.00 3.52 H new ATOM 86 N LEU A 6 -8.112 0.233 -7.578 1.00 2.72 N ATOM 87 CA LEU A 6 -9.444 0.059 -7.030 1.00 2.62 C ATOM 88 C LEU A 6 -10.307 1.306 -7.233 1.00 2.85 C ATOM 89 O LEU A 6 -11.532 1.225 -7.261 1.00 2.79 O ATOM 90 CB LEU A 6 -9.368 -0.338 -5.572 1.00 2.55 C ATOM 91 CG LEU A 6 -9.736 -1.783 -5.296 1.00 2.31 C ATOM 92 CD1 LEU A 6 -9.739 -2.055 -3.803 1.00 2.37 C ATOM 93 CD2 LEU A 6 -11.089 -2.108 -5.908 1.00 2.25 C ATOM 0 H LEU A 6 -7.348 0.112 -6.913 1.00 2.72 H new ATOM 0 HA LEU A 6 -9.930 -0.750 -7.575 1.00 2.62 H new ATOM 0 HB2 LEU A 6 -8.355 -0.159 -5.212 1.00 2.55 H new ATOM 0 HB3 LEU A 6 -10.030 0.309 -4.997 1.00 2.55 H new ATOM 0 HG LEU A 6 -8.988 -2.428 -5.756 1.00 2.31 H new ATOM 0 HD11 LEU A 6 -10.005 -3.097 -3.623 1.00 2.37 H new ATOM 0 HD12 LEU A 6 -8.747 -1.858 -3.395 1.00 2.37 H new ATOM 0 HD13 LEU A 6 -10.467 -1.406 -3.316 1.00 2.37 H new ATOM 0 HD21 LEU A 6 -11.341 -3.148 -5.702 1.00 2.25 H new ATOM 0 HD22 LEU A 6 -11.850 -1.458 -5.475 1.00 2.25 H new ATOM 0 HD23 LEU A 6 -11.048 -1.951 -6.986 1.00 2.25 H new ATOM 105 N TYR A 7 -9.648 2.445 -7.396 1.00 3.13 N ATOM 106 CA TYR A 7 -10.333 3.720 -7.636 1.00 3.41 C ATOM 107 C TYR A 7 -11.071 3.681 -8.970 1.00 3.42 C ATOM 108 O TYR A 7 -12.188 4.174 -9.108 1.00 3.50 O ATOM 109 CB TYR A 7 -9.329 4.872 -7.688 1.00 3.74 C ATOM 110 CG TYR A 7 -8.829 5.348 -6.350 1.00 3.86 C ATOM 111 CD1 TYR A 7 -9.713 5.860 -5.413 1.00 3.98 C ATOM 112 CD2 TYR A 7 -7.484 5.259 -6.012 1.00 3.89 C ATOM 113 CE1 TYR A 7 -9.275 6.278 -4.175 1.00 4.16 C ATOM 114 CE2 TYR A 7 -7.039 5.671 -4.769 1.00 4.04 C ATOM 115 CZ TYR A 7 -7.872 6.267 -3.913 1.00 4.20 C ATOM 116 OH TYR A 7 -7.504 6.592 -2.622 1.00 4.39 O ATOM 0 H TYR A 7 -8.631 2.518 -7.367 1.00 3.13 H new ATOM 0 HA TYR A 7 -11.036 3.875 -6.817 1.00 3.41 H new ATOM 0 HB2 TYR A 7 -8.474 4.560 -8.288 1.00 3.74 H new ATOM 0 HB3 TYR A 7 -9.791 5.713 -8.205 1.00 3.74 H new ATOM 0 HD1 TYR A 7 -10.763 5.933 -5.657 1.00 3.98 H new ATOM 0 HD2 TYR A 7 -6.778 4.864 -6.728 1.00 3.89 H new ATOM 0 HE1 TYR A 7 -9.976 6.606 -3.422 1.00 4.16 H new ATOM 0 HE2 TYR A 7 -6.009 5.509 -4.489 1.00 4.04 H new ATOM 0 HH TYR A 7 -6.528 6.556 -2.541 1.00 4.39 H new ATOM 126 N ASP A 8 -10.417 3.051 -9.929 1.00 3.37 N ATOM 127 CA ASP A 8 -10.901 2.930 -11.297 1.00 3.45 C ATOM 128 C ASP A 8 -12.154 2.089 -11.324 1.00 3.21 C ATOM 129 O ASP A 8 -13.137 2.437 -11.978 1.00 3.31 O ATOM 130 CB ASP A 8 -9.808 2.309 -12.183 1.00 3.49 C ATOM 131 CG ASP A 8 -8.634 3.239 -12.439 1.00 3.79 C ATOM 132 OD1 ASP A 8 -8.833 4.333 -13.011 1.00 4.13 O ATOM 133 OD2 ASP A 8 -7.496 2.866 -12.077 1.00 3.72 O ATOM 0 H ASP A 8 -9.515 2.599 -9.778 1.00 3.37 H new ATOM 0 HA ASP A 8 -11.141 3.919 -11.686 1.00 3.45 H new ATOM 0 HB2 ASP A 8 -9.443 1.397 -11.710 1.00 3.49 H new ATOM 0 HB3 ASP A 8 -10.247 2.019 -13.138 1.00 3.49 H new ATOM 138 N VAL A 9 -12.122 0.986 -10.590 1.00 2.91 N ATOM 139 CA VAL A 9 -13.248 0.092 -10.525 1.00 2.70 C ATOM 140 C VAL A 9 -14.381 0.765 -9.789 1.00 2.72 C ATOM 141 O VAL A 9 -15.532 0.702 -10.193 1.00 2.70 O ATOM 142 CB VAL A 9 -12.874 -1.209 -9.808 1.00 2.43 C ATOM 143 CG1 VAL A 9 -14.090 -2.089 -9.644 1.00 2.28 C ATOM 144 CG2 VAL A 9 -11.781 -1.941 -10.561 1.00 2.45 C ATOM 0 H VAL A 9 -11.319 0.696 -10.031 1.00 2.91 H new ATOM 0 HA VAL A 9 -13.556 -0.151 -11.542 1.00 2.70 H new ATOM 0 HB VAL A 9 -12.494 -0.959 -8.817 1.00 2.43 H new ATOM 0 HG11 VAL A 9 -13.807 -3.009 -9.133 1.00 2.28 H new ATOM 0 HG12 VAL A 9 -14.843 -1.564 -9.056 1.00 2.28 H new ATOM 0 HG13 VAL A 9 -14.500 -2.330 -10.625 1.00 2.28 H new ATOM 0 HG21 VAL A 9 -11.531 -2.862 -10.035 1.00 2.45 H new ATOM 0 HG22 VAL A 9 -12.129 -2.180 -11.566 1.00 2.45 H new ATOM 0 HG23 VAL A 9 -10.896 -1.308 -10.625 1.00 2.45 H new ATOM 154 N ALA A 10 -14.016 1.422 -8.709 1.00 2.80 N ATOM 155 CA ALA A 10 -14.968 2.126 -7.860 1.00 2.91 C ATOM 156 C ALA A 10 -15.757 3.159 -8.645 1.00 3.14 C ATOM 157 O ALA A 10 -16.989 3.196 -8.588 1.00 3.12 O ATOM 158 CB ALA A 10 -14.210 2.780 -6.723 1.00 3.09 C ATOM 0 H ALA A 10 -13.049 1.486 -8.390 1.00 2.80 H new ATOM 0 HA ALA A 10 -15.689 1.411 -7.463 1.00 2.91 H new ATOM 0 HB1 ALA A 10 -14.909 3.312 -6.078 1.00 3.09 H new ATOM 0 HB2 ALA A 10 -13.692 2.016 -6.144 1.00 3.09 H new ATOM 0 HB3 ALA A 10 -13.483 3.484 -7.128 1.00 3.09 H new ATOM 164 N GLU A 11 -15.049 3.954 -9.421 1.00 3.37 N ATOM 165 CA GLU A 11 -15.680 4.995 -10.210 1.00 3.64 C ATOM 166 C GLU A 11 -16.538 4.365 -11.294 1.00 3.52 C ATOM 167 O GLU A 11 -17.691 4.745 -11.495 1.00 3.57 O ATOM 168 CB GLU A 11 -14.632 5.950 -10.795 1.00 3.95 C ATOM 169 CG GLU A 11 -13.942 6.795 -9.731 1.00 4.31 C ATOM 170 CD GLU A 11 -12.886 7.732 -10.289 1.00 4.89 C ATOM 171 OE1 GLU A 11 -12.630 7.701 -11.511 1.00 5.24 O ATOM 172 OE2 GLU A 11 -12.305 8.512 -9.500 1.00 5.23 O ATOM 0 H GLU A 11 -14.036 3.900 -9.523 1.00 3.37 H new ATOM 0 HA GLU A 11 -16.327 5.591 -9.566 1.00 3.64 H new ATOM 0 HB2 GLU A 11 -13.882 5.372 -11.336 1.00 3.95 H new ATOM 0 HB3 GLU A 11 -15.111 6.608 -11.520 1.00 3.95 H new ATOM 0 HG2 GLU A 11 -14.693 7.382 -9.202 1.00 4.31 H new ATOM 0 HG3 GLU A 11 -13.479 6.134 -8.998 1.00 4.31 H new ATOM 179 N TYR A 12 -15.953 3.403 -11.991 1.00 3.40 N ATOM 180 CA TYR A 12 -16.638 2.687 -13.056 1.00 3.35 C ATOM 181 C TYR A 12 -17.855 1.919 -12.530 1.00 3.08 C ATOM 182 O TYR A 12 -18.824 1.707 -13.261 1.00 3.11 O ATOM 183 CB TYR A 12 -15.666 1.712 -13.715 1.00 3.31 C ATOM 184 CG TYR A 12 -16.230 1.007 -14.920 1.00 3.39 C ATOM 185 CD1 TYR A 12 -16.567 1.724 -16.051 1.00 3.70 C ATOM 186 CD2 TYR A 12 -16.430 -0.365 -14.926 1.00 3.19 C ATOM 187 CE1 TYR A 12 -17.089 1.106 -17.164 1.00 3.82 C ATOM 188 CE2 TYR A 12 -16.953 -1.001 -16.034 1.00 3.34 C ATOM 189 CZ TYR A 12 -17.257 -0.323 -17.128 1.00 3.64 C ATOM 190 OH TYR A 12 -17.805 -0.898 -18.253 1.00 3.82 O ATOM 0 H TYR A 12 -14.993 3.097 -11.835 1.00 3.40 H new ATOM 0 HA TYR A 12 -16.992 3.418 -13.783 1.00 3.35 H new ATOM 0 HB2 TYR A 12 -14.768 2.254 -14.011 1.00 3.31 H new ATOM 0 HB3 TYR A 12 -15.361 0.967 -12.980 1.00 3.31 H new ATOM 0 HD1 TYR A 12 -16.418 2.794 -16.062 1.00 3.70 H new ATOM 0 HD2 TYR A 12 -16.173 -0.944 -14.051 1.00 3.19 H new ATOM 0 HE1 TYR A 12 -17.365 1.676 -18.039 1.00 3.82 H new ATOM 0 HE2 TYR A 12 -17.116 -2.068 -16.007 1.00 3.34 H new ATOM 0 HH TYR A 12 -18.566 -1.459 -17.996 1.00 3.82 H new ATOM 200 N ALA A 13 -17.815 1.509 -11.263 1.00 2.87 N ATOM 201 CA ALA A 13 -18.921 0.756 -10.680 1.00 2.66 C ATOM 202 C ALA A 13 -20.002 1.712 -10.214 1.00 2.78 C ATOM 203 O ALA A 13 -21.185 1.370 -10.143 1.00 2.70 O ATOM 204 CB ALA A 13 -18.434 -0.064 -9.510 1.00 2.47 C ATOM 0 H ALA A 13 -17.037 1.684 -10.627 1.00 2.87 H new ATOM 0 HA ALA A 13 -19.329 0.087 -11.438 1.00 2.66 H new ATOM 0 HB1 ALA A 13 -19.268 -0.621 -9.084 1.00 2.47 H new ATOM 0 HB2 ALA A 13 -17.667 -0.761 -9.848 1.00 2.47 H new ATOM 0 HB3 ALA A 13 -18.014 0.597 -8.752 1.00 2.47 H new ATOM 210 N GLY A 14 -19.566 2.915 -9.881 1.00 3.02 N ATOM 211 CA GLY A 14 -20.467 3.948 -9.437 1.00 3.22 C ATOM 212 C GLY A 14 -20.658 3.889 -7.952 1.00 3.21 C ATOM 213 O GLY A 14 -21.743 4.153 -7.430 1.00 3.28 O ATOM 0 H GLY A 14 -18.586 3.195 -9.912 1.00 3.02 H new ATOM 0 HA2 GLY A 14 -20.074 4.925 -9.719 1.00 3.22 H new ATOM 0 HA3 GLY A 14 -21.429 3.836 -9.936 1.00 3.22 H new ATOM 217 N VAL A 15 -19.588 3.508 -7.283 1.00 3.16 N ATOM 218 CA VAL A 15 -19.577 3.360 -5.840 1.00 3.22 C ATOM 219 C VAL A 15 -18.281 3.892 -5.271 1.00 3.39 C ATOM 220 O VAL A 15 -17.249 3.830 -5.934 1.00 3.33 O ATOM 221 CB VAL A 15 -19.745 1.896 -5.443 1.00 2.96 C ATOM 222 CG1 VAL A 15 -21.180 1.470 -5.607 1.00 2.89 C ATOM 223 CG2 VAL A 15 -18.856 1.044 -6.302 1.00 2.72 C ATOM 0 H VAL A 15 -18.696 3.291 -7.727 1.00 3.16 H new ATOM 0 HA VAL A 15 -20.412 3.931 -5.435 1.00 3.22 H new ATOM 0 HB VAL A 15 -19.466 1.775 -4.396 1.00 2.96 H new ATOM 0 HG11 VAL A 15 -21.284 0.424 -5.320 1.00 2.89 H new ATOM 0 HG12 VAL A 15 -21.817 2.085 -4.972 1.00 2.89 H new ATOM 0 HG13 VAL A 15 -21.479 1.592 -6.648 1.00 2.89 H new ATOM 0 HG21 VAL A 15 -18.973 -0.003 -6.021 1.00 2.72 H new ATOM 0 HG22 VAL A 15 -19.131 1.172 -7.349 1.00 2.72 H new ATOM 0 HG23 VAL A 15 -17.818 1.343 -6.160 1.00 2.72 H new ATOM 233 N SER A 16 -18.331 4.448 -4.075 1.00 3.63 N ATOM 234 CA SER A 16 -17.129 4.988 -3.467 1.00 3.82 C ATOM 235 C SER A 16 -16.039 3.930 -3.398 1.00 3.58 C ATOM 236 O SER A 16 -16.304 2.732 -3.276 1.00 3.34 O ATOM 237 CB SER A 16 -17.411 5.549 -2.080 1.00 4.13 C ATOM 238 OG SER A 16 -18.460 6.499 -2.126 1.00 4.34 O ATOM 0 H SER A 16 -19.177 4.537 -3.512 1.00 3.63 H new ATOM 0 HA SER A 16 -16.782 5.807 -4.096 1.00 3.82 H new ATOM 0 HB2 SER A 16 -17.678 4.738 -1.402 1.00 4.13 H new ATOM 0 HB3 SER A 16 -16.510 6.015 -1.681 1.00 4.13 H new ATOM 0 HG SER A 16 -18.627 6.846 -1.225 1.00 4.34 H new ATOM 244 N TYR A 17 -14.821 4.404 -3.479 1.00 3.68 N ATOM 245 CA TYR A 17 -13.634 3.564 -3.445 1.00 3.49 C ATOM 246 C TYR A 17 -13.634 2.618 -2.256 1.00 3.42 C ATOM 247 O TYR A 17 -13.455 1.408 -2.398 1.00 3.16 O ATOM 248 CB TYR A 17 -12.428 4.476 -3.354 1.00 3.71 C ATOM 249 CG TYR A 17 -11.162 3.733 -3.120 1.00 3.56 C ATOM 250 CD1 TYR A 17 -10.605 2.941 -4.109 1.00 3.31 C ATOM 251 CD2 TYR A 17 -10.518 3.837 -1.910 1.00 3.69 C ATOM 252 CE1 TYR A 17 -9.430 2.267 -3.885 1.00 3.18 C ATOM 253 CE2 TYR A 17 -9.354 3.173 -1.675 1.00 3.55 C ATOM 254 CZ TYR A 17 -8.833 2.325 -2.711 1.00 3.28 C ATOM 255 OH TYR A 17 -7.635 1.721 -2.428 1.00 3.16 O ATOM 0 H TYR A 17 -14.615 5.399 -3.572 1.00 3.68 H new ATOM 0 HA TYR A 17 -13.612 2.951 -4.346 1.00 3.49 H new ATOM 0 HB2 TYR A 17 -12.342 5.051 -4.276 1.00 3.71 H new ATOM 0 HB3 TYR A 17 -12.579 5.191 -2.546 1.00 3.71 H new ATOM 0 HD1 TYR A 17 -11.099 2.852 -5.065 1.00 3.31 H new ATOM 0 HD2 TYR A 17 -10.943 4.456 -1.133 1.00 3.69 H new ATOM 0 HE1 TYR A 17 -8.990 1.683 -4.680 1.00 3.18 H new ATOM 0 HE2 TYR A 17 -8.835 3.281 -0.734 1.00 3.55 H new ATOM 0 HH TYR A 17 -7.389 1.902 -1.497 1.00 3.16 H new ATOM 265 N GLN A 18 -13.854 3.189 -1.092 1.00 3.70 N ATOM 266 CA GLN A 18 -13.871 2.438 0.157 1.00 3.76 C ATOM 267 C GLN A 18 -14.982 1.383 0.177 1.00 3.60 C ATOM 268 O GLN A 18 -14.898 0.407 0.921 1.00 3.59 O ATOM 269 CB GLN A 18 -14.015 3.399 1.338 1.00 4.16 C ATOM 270 CG GLN A 18 -14.470 4.794 0.938 1.00 4.57 C ATOM 271 CD GLN A 18 -15.112 5.542 2.082 1.00 5.01 C ATOM 272 OE1 GLN A 18 -15.743 4.938 2.945 1.00 5.50 O ATOM 273 NE2 GLN A 18 -14.960 6.858 2.094 1.00 5.22 N ATOM 0 H GLN A 18 -14.027 4.188 -0.978 1.00 3.70 H new ATOM 0 HA GLN A 18 -12.924 1.904 0.241 1.00 3.76 H new ATOM 0 HB2 GLN A 18 -14.729 2.983 2.049 1.00 4.16 H new ATOM 0 HB3 GLN A 18 -13.058 3.473 1.854 1.00 4.16 H new ATOM 0 HG2 GLN A 18 -13.614 5.361 0.572 1.00 4.57 H new ATOM 0 HG3 GLN A 18 -15.179 4.719 0.113 1.00 4.57 H new ATOM 0 HE21 GLN A 18 -14.427 7.317 1.355 1.00 5.22 H new ATOM 0 HE22 GLN A 18 -15.376 7.413 2.842 1.00 5.22 H new ATOM 282 N THR A 19 -16.010 1.582 -0.639 1.00 3.52 N ATOM 283 CA THR A 19 -17.122 0.653 -0.728 1.00 3.39 C ATOM 284 C THR A 19 -16.689 -0.651 -1.392 1.00 3.07 C ATOM 285 O THR A 19 -16.730 -1.714 -0.772 1.00 3.08 O ATOM 286 CB THR A 19 -18.280 1.294 -1.524 1.00 3.36 C ATOM 287 OG1 THR A 19 -18.462 2.647 -1.082 1.00 3.65 O ATOM 288 CG2 THR A 19 -19.571 0.527 -1.351 1.00 3.31 C ATOM 0 H THR A 19 -16.093 2.391 -1.255 1.00 3.52 H new ATOM 0 HA THR A 19 -17.463 0.425 0.282 1.00 3.39 H new ATOM 0 HB THR A 19 -18.019 1.271 -2.582 1.00 3.36 H new ATOM 0 HG1 THR A 19 -19.195 3.060 -1.585 1.00 3.65 H new ATOM 0 HG21 THR A 19 -20.361 1.010 -1.926 1.00 3.31 H new ATOM 0 HG22 THR A 19 -19.437 -0.495 -1.705 1.00 3.31 H new ATOM 0 HG23 THR A 19 -19.847 0.513 -0.297 1.00 3.31 H new ATOM 296 N VAL A 20 -16.236 -0.558 -2.639 1.00 2.85 N ATOM 297 CA VAL A 20 -15.809 -1.730 -3.390 1.00 2.58 C ATOM 298 C VAL A 20 -14.539 -2.339 -2.810 1.00 2.57 C ATOM 299 O VAL A 20 -14.301 -3.538 -2.944 1.00 2.46 O ATOM 300 CB VAL A 20 -15.669 -1.436 -4.904 1.00 2.42 C ATOM 301 CG1 VAL A 20 -16.076 -0.013 -5.220 1.00 2.61 C ATOM 302 CG2 VAL A 20 -14.280 -1.681 -5.449 1.00 2.31 C ATOM 0 H VAL A 20 -16.156 0.321 -3.150 1.00 2.85 H new ATOM 0 HA VAL A 20 -16.599 -2.475 -3.289 1.00 2.58 H new ATOM 0 HB VAL A 20 -16.340 -2.142 -5.394 1.00 2.42 H new ATOM 0 HG11 VAL A 20 -15.968 0.167 -6.290 1.00 2.61 H new ATOM 0 HG12 VAL A 20 -17.115 0.141 -4.929 1.00 2.61 H new ATOM 0 HG13 VAL A 20 -15.438 0.679 -4.669 1.00 2.61 H new ATOM 0 HG21 VAL A 20 -14.262 -1.453 -6.515 1.00 2.31 H new ATOM 0 HG22 VAL A 20 -13.567 -1.041 -4.929 1.00 2.31 H new ATOM 0 HG23 VAL A 20 -14.008 -2.726 -5.297 1.00 2.31 H new ATOM 312 N SER A 21 -13.723 -1.506 -2.189 1.00 2.73 N ATOM 313 CA SER A 21 -12.500 -1.973 -1.552 1.00 2.74 C ATOM 314 C SER A 21 -12.835 -3.083 -0.556 1.00 2.85 C ATOM 315 O SER A 21 -12.193 -4.134 -0.538 1.00 2.78 O ATOM 316 CB SER A 21 -11.796 -0.802 -0.851 1.00 2.97 C ATOM 317 OG SER A 21 -10.700 -1.234 -0.062 1.00 3.19 O ATOM 0 H SER A 21 -13.883 -0.502 -2.111 1.00 2.73 H new ATOM 0 HA SER A 21 -11.824 -2.375 -2.307 1.00 2.74 H new ATOM 0 HB2 SER A 21 -11.446 -0.090 -1.599 1.00 2.97 H new ATOM 0 HB3 SER A 21 -12.511 -0.275 -0.220 1.00 2.97 H new ATOM 0 HG SER A 21 -10.279 -0.459 0.365 1.00 3.19 H new ATOM 323 N ARG A 22 -13.879 -2.855 0.235 1.00 3.06 N ATOM 324 CA ARG A 22 -14.326 -3.826 1.225 1.00 3.25 C ATOM 325 C ARG A 22 -14.942 -5.021 0.534 1.00 3.12 C ATOM 326 O ARG A 22 -14.923 -6.129 1.055 1.00 3.25 O ATOM 327 CB ARG A 22 -15.349 -3.203 2.166 1.00 3.54 C ATOM 328 CG ARG A 22 -14.777 -2.131 3.068 1.00 3.73 C ATOM 329 CD ARG A 22 -15.886 -1.376 3.770 1.00 3.83 C ATOM 330 NE ARG A 22 -15.709 0.064 3.672 1.00 3.92 N ATOM 331 CZ ARG A 22 -16.591 0.947 4.123 1.00 4.17 C ATOM 332 NH1 ARG A 22 -17.698 0.532 4.726 1.00 4.31 N ATOM 333 NH2 ARG A 22 -16.372 2.247 3.972 1.00 4.44 N ATOM 0 H ARG A 22 -14.434 -2.000 0.208 1.00 3.06 H new ATOM 0 HA ARG A 22 -13.461 -4.145 1.806 1.00 3.25 H new ATOM 0 HB2 ARG A 22 -16.158 -2.774 1.575 1.00 3.54 H new ATOM 0 HB3 ARG A 22 -15.787 -3.988 2.783 1.00 3.54 H new ATOM 0 HG2 ARG A 22 -14.115 -2.584 3.806 1.00 3.73 H new ATOM 0 HG3 ARG A 22 -14.173 -1.439 2.481 1.00 3.73 H new ATOM 0 HD2 ARG A 22 -16.846 -1.654 3.335 1.00 3.83 H new ATOM 0 HD3 ARG A 22 -15.915 -1.667 4.820 1.00 3.83 H new ATOM 0 HE ARG A 22 -14.859 0.415 3.232 1.00 3.92 H new ATOM 0 HH11 ARG A 22 -17.871 -0.466 4.843 1.00 4.31 H new ATOM 0 HH12 ARG A 22 -18.375 1.211 5.072 1.00 4.31 H new ATOM 0 HH21 ARG A 22 -15.523 2.571 3.508 1.00 4.44 H new ATOM 0 HH22 ARG A 22 -17.052 2.923 4.320 1.00 4.44 H new ATOM 347 N VAL A 23 -15.483 -4.775 -0.645 1.00 2.91 N ATOM 348 CA VAL A 23 -16.116 -5.811 -1.427 1.00 2.82 C ATOM 349 C VAL A 23 -15.085 -6.867 -1.804 1.00 2.72 C ATOM 350 O VAL A 23 -15.305 -8.062 -1.616 1.00 2.86 O ATOM 351 CB VAL A 23 -16.763 -5.217 -2.689 1.00 2.62 C ATOM 352 CG1 VAL A 23 -17.303 -6.306 -3.579 1.00 2.56 C ATOM 353 CG2 VAL A 23 -17.864 -4.230 -2.321 1.00 2.76 C ATOM 0 H VAL A 23 -15.494 -3.854 -1.083 1.00 2.91 H new ATOM 0 HA VAL A 23 -16.902 -6.275 -0.831 1.00 2.82 H new ATOM 0 HB VAL A 23 -15.992 -4.678 -3.240 1.00 2.62 H new ATOM 0 HG11 VAL A 23 -17.756 -5.861 -4.465 1.00 2.56 H new ATOM 0 HG12 VAL A 23 -16.490 -6.967 -3.880 1.00 2.56 H new ATOM 0 HG13 VAL A 23 -18.055 -6.880 -3.037 1.00 2.56 H new ATOM 0 HG21 VAL A 23 -18.307 -3.823 -3.230 1.00 2.76 H new ATOM 0 HG22 VAL A 23 -18.632 -4.741 -1.741 1.00 2.76 H new ATOM 0 HG23 VAL A 23 -17.442 -3.418 -1.728 1.00 2.76 H new ATOM 363 N VAL A 24 -13.946 -6.409 -2.321 1.00 2.54 N ATOM 364 CA VAL A 24 -12.855 -7.303 -2.690 1.00 2.46 C ATOM 365 C VAL A 24 -12.295 -7.986 -1.435 1.00 2.68 C ATOM 366 O VAL A 24 -11.668 -9.044 -1.503 1.00 2.72 O ATOM 367 CB VAL A 24 -11.725 -6.541 -3.438 1.00 2.28 C ATOM 368 CG1 VAL A 24 -10.545 -7.455 -3.730 1.00 2.42 C ATOM 369 CG2 VAL A 24 -12.250 -5.929 -4.734 1.00 2.15 C ATOM 0 H VAL A 24 -13.757 -5.422 -2.493 1.00 2.54 H new ATOM 0 HA VAL A 24 -13.250 -8.060 -3.368 1.00 2.46 H new ATOM 0 HB VAL A 24 -11.382 -5.738 -2.786 1.00 2.28 H new ATOM 0 HG11 VAL A 24 -9.771 -6.894 -4.254 1.00 2.42 H new ATOM 0 HG12 VAL A 24 -10.143 -7.840 -2.793 1.00 2.42 H new ATOM 0 HG13 VAL A 24 -10.874 -8.287 -4.353 1.00 2.42 H new ATOM 0 HG21 VAL A 24 -11.442 -5.401 -5.240 1.00 2.15 H new ATOM 0 HG22 VAL A 24 -12.629 -6.719 -5.382 1.00 2.15 H new ATOM 0 HG23 VAL A 24 -13.054 -5.229 -4.506 1.00 2.15 H new ATOM 508 N THR A 34 -24.615 -3.491 -5.625 1.00 2.54 N ATOM 509 CA THR A 34 -23.338 -2.839 -5.450 1.00 2.50 C ATOM 510 C THR A 34 -22.177 -3.780 -5.739 1.00 2.40 C ATOM 511 O THR A 34 -21.288 -3.443 -6.514 1.00 2.28 O ATOM 512 CB THR A 34 -23.214 -2.289 -4.033 1.00 2.73 C ATOM 513 OG1 THR A 34 -24.352 -1.465 -3.763 1.00 2.86 O ATOM 514 CG2 THR A 34 -21.935 -1.489 -3.888 1.00 2.75 C ATOM 0 HA THR A 34 -23.292 -2.018 -6.166 1.00 2.50 H new ATOM 0 HB THR A 34 -23.178 -3.112 -3.319 1.00 2.73 H new ATOM 0 HG1 THR A 34 -25.158 -1.892 -4.122 1.00 2.86 H new ATOM 0 HG21 THR A 34 -21.861 -1.103 -2.871 1.00 2.75 H new ATOM 0 HG22 THR A 34 -21.079 -2.131 -4.096 1.00 2.75 H new ATOM 0 HG23 THR A 34 -21.944 -0.657 -4.592 1.00 2.75 H new ATOM 522 N ARG A 35 -22.201 -4.965 -5.146 1.00 2.51 N ATOM 523 CA ARG A 35 -21.129 -5.933 -5.347 1.00 2.50 C ATOM 524 C ARG A 35 -21.042 -6.326 -6.807 1.00 2.38 C ATOM 525 O ARG A 35 -19.959 -6.420 -7.374 1.00 2.33 O ATOM 526 CB ARG A 35 -21.379 -7.193 -4.538 1.00 2.77 C ATOM 527 CG ARG A 35 -21.688 -6.942 -3.082 1.00 2.94 C ATOM 528 CD ARG A 35 -22.230 -8.199 -2.414 1.00 3.35 C ATOM 529 NE ARG A 35 -23.087 -8.977 -3.318 1.00 3.39 N ATOM 530 CZ ARG A 35 -24.233 -9.549 -2.972 1.00 3.73 C ATOM 531 NH1 ARG A 35 -24.700 -9.438 -1.729 1.00 4.16 N ATOM 532 NH2 ARG A 35 -24.925 -10.214 -3.890 1.00 3.92 N ATOM 0 H ARG A 35 -22.946 -5.280 -4.525 1.00 2.51 H new ATOM 0 HA ARG A 35 -20.200 -5.464 -5.024 1.00 2.50 H new ATOM 0 HB2 ARG A 35 -22.209 -7.740 -4.985 1.00 2.77 H new ATOM 0 HB3 ARG A 35 -20.501 -7.835 -4.606 1.00 2.77 H new ATOM 0 HG2 ARG A 35 -20.786 -6.612 -2.567 1.00 2.94 H new ATOM 0 HG3 ARG A 35 -22.417 -6.136 -2.995 1.00 2.94 H new ATOM 0 HD2 ARG A 35 -21.398 -8.819 -2.080 1.00 3.35 H new ATOM 0 HD3 ARG A 35 -22.798 -7.921 -1.526 1.00 3.35 H new ATOM 0 HE ARG A 35 -22.778 -9.086 -4.284 1.00 3.39 H new ATOM 0 HH11 ARG A 35 -24.175 -8.909 -1.032 1.00 4.16 H new ATOM 0 HH12 ARG A 35 -25.582 -9.882 -1.474 1.00 4.16 H new ATOM 0 HH21 ARG A 35 -24.574 -10.279 -4.845 1.00 3.92 H new ATOM 0 HH22 ARG A 35 -25.808 -10.659 -3.640 1.00 3.92 H new ATOM 546 N GLU A 36 -22.204 -6.531 -7.405 1.00 2.39 N ATOM 547 CA GLU A 36 -22.289 -6.928 -8.797 1.00 2.38 C ATOM 548 C GLU A 36 -21.769 -5.798 -9.676 1.00 2.27 C ATOM 549 O GLU A 36 -21.221 -6.032 -10.748 1.00 2.33 O ATOM 550 CB GLU A 36 -23.732 -7.288 -9.179 1.00 2.47 C ATOM 551 CG GLU A 36 -24.553 -7.910 -8.047 1.00 2.59 C ATOM 552 CD GLU A 36 -24.015 -9.245 -7.553 1.00 3.03 C ATOM 553 OE1 GLU A 36 -23.871 -10.172 -8.377 1.00 3.21 O ATOM 554 OE2 GLU A 36 -23.758 -9.373 -6.328 1.00 3.55 O ATOM 0 H GLU A 36 -23.107 -6.427 -6.942 1.00 2.39 H new ATOM 0 HA GLU A 36 -21.676 -7.816 -8.949 1.00 2.38 H new ATOM 0 HB2 GLU A 36 -24.238 -6.387 -9.525 1.00 2.47 H new ATOM 0 HB3 GLU A 36 -23.709 -7.983 -10.018 1.00 2.47 H new ATOM 0 HG2 GLU A 36 -24.587 -7.212 -7.211 1.00 2.59 H new ATOM 0 HG3 GLU A 36 -25.579 -8.048 -8.389 1.00 2.59 H new ATOM 561 N LYS A 37 -21.936 -4.569 -9.198 1.00 2.21 N ATOM 562 CA LYS A 37 -21.471 -3.391 -9.915 1.00 2.23 C ATOM 563 C LYS A 37 -19.955 -3.285 -9.819 1.00 2.19 C ATOM 564 O LYS A 37 -19.284 -3.045 -10.818 1.00 2.26 O ATOM 565 CB LYS A 37 -22.118 -2.125 -9.354 1.00 2.31 C ATOM 566 CG LYS A 37 -23.269 -1.600 -10.198 1.00 2.44 C ATOM 567 CD LYS A 37 -24.392 -1.050 -9.332 1.00 2.48 C ATOM 568 CE LYS A 37 -23.900 0.029 -8.378 1.00 2.57 C ATOM 569 NZ LYS A 37 -23.656 1.322 -9.077 1.00 2.84 N ATOM 0 H LYS A 37 -22.394 -4.364 -8.310 1.00 2.21 H new ATOM 0 HA LYS A 37 -21.758 -3.491 -10.962 1.00 2.23 H new ATOM 0 HB2 LYS A 37 -22.482 -2.329 -8.347 1.00 2.31 H new ATOM 0 HB3 LYS A 37 -21.359 -1.348 -9.267 1.00 2.31 H new ATOM 0 HG2 LYS A 37 -22.905 -0.817 -10.864 1.00 2.44 H new ATOM 0 HG3 LYS A 37 -23.654 -2.402 -10.828 1.00 2.44 H new ATOM 0 HD2 LYS A 37 -25.175 -0.640 -9.970 1.00 2.48 H new ATOM 0 HD3 LYS A 37 -24.840 -1.863 -8.760 1.00 2.48 H new ATOM 0 HE2 LYS A 37 -24.636 0.177 -7.588 1.00 2.57 H new ATOM 0 HE3 LYS A 37 -22.979 -0.303 -7.898 1.00 2.57 H new ATOM 0 HZ1 LYS A 37 -23.421 2.055 -8.378 1.00 2.84 H new ATOM 0 HZ2 LYS A 37 -22.865 1.212 -9.744 1.00 2.84 H new ATOM 0 HZ3 LYS A 37 -24.512 1.602 -9.598 1.00 2.84 H new ATOM 583 N VAL A 38 -19.420 -3.466 -8.611 1.00 2.13 N ATOM 584 CA VAL A 38 -17.972 -3.402 -8.411 1.00 2.10 C ATOM 585 C VAL A 38 -17.308 -4.555 -9.160 1.00 2.10 C ATOM 586 O VAL A 38 -16.319 -4.359 -9.864 1.00 2.14 O ATOM 587 CB VAL A 38 -17.579 -3.421 -6.919 1.00 2.11 C ATOM 588 CG1 VAL A 38 -18.538 -2.574 -6.100 1.00 2.26 C ATOM 589 CG2 VAL A 38 -17.503 -4.823 -6.367 1.00 2.12 C ATOM 0 H VAL A 38 -19.959 -3.656 -7.766 1.00 2.13 H new ATOM 0 HA VAL A 38 -17.620 -2.450 -8.809 1.00 2.10 H new ATOM 0 HB VAL A 38 -16.580 -2.991 -6.845 1.00 2.11 H new ATOM 0 HG11 VAL A 38 -18.243 -2.601 -5.051 1.00 2.26 H new ATOM 0 HG12 VAL A 38 -18.511 -1.545 -6.458 1.00 2.26 H new ATOM 0 HG13 VAL A 38 -19.549 -2.967 -6.203 1.00 2.26 H new ATOM 0 HG21 VAL A 38 -17.223 -4.785 -5.314 1.00 2.12 H new ATOM 0 HG22 VAL A 38 -18.475 -5.307 -6.467 1.00 2.12 H new ATOM 0 HG23 VAL A 38 -16.756 -5.392 -6.921 1.00 2.12 H new ATOM 599 N GLU A 39 -17.872 -5.753 -9.003 1.00 2.16 N ATOM 600 CA GLU A 39 -17.371 -6.936 -9.691 1.00 2.30 C ATOM 601 C GLU A 39 -17.443 -6.712 -11.188 1.00 2.42 C ATOM 602 O GLU A 39 -16.524 -7.077 -11.914 1.00 2.56 O ATOM 603 CB GLU A 39 -18.161 -8.188 -9.299 1.00 2.46 C ATOM 604 CG GLU A 39 -17.313 -9.236 -8.589 1.00 2.53 C ATOM 605 CD GLU A 39 -16.767 -10.306 -9.527 1.00 2.89 C ATOM 606 OE1 GLU A 39 -17.492 -10.712 -10.468 1.00 3.27 O ATOM 607 OE2 GLU A 39 -15.618 -10.757 -9.319 1.00 3.12 O ATOM 0 H GLU A 39 -18.678 -5.927 -8.403 1.00 2.16 H new ATOM 0 HA GLU A 39 -16.335 -7.098 -9.394 1.00 2.30 H new ATOM 0 HB2 GLU A 39 -18.988 -7.899 -8.650 1.00 2.46 H new ATOM 0 HB3 GLU A 39 -18.597 -8.629 -10.195 1.00 2.46 H new ATOM 0 HG2 GLU A 39 -16.480 -8.742 -8.089 1.00 2.53 H new ATOM 0 HG3 GLU A 39 -17.912 -9.714 -7.814 1.00 2.53 H new ATOM 614 N ALA A 40 -18.534 -6.103 -11.648 1.00 2.42 N ATOM 615 CA ALA A 40 -18.670 -5.795 -13.060 1.00 2.60 C ATOM 616 C ALA A 40 -17.553 -4.866 -13.459 1.00 2.65 C ATOM 617 O ALA A 40 -16.763 -5.183 -14.335 1.00 2.86 O ATOM 618 CB ALA A 40 -20.000 -5.135 -13.381 1.00 2.61 C ATOM 0 H ALA A 40 -19.324 -5.818 -11.069 1.00 2.42 H new ATOM 0 HA ALA A 40 -18.625 -6.732 -13.615 1.00 2.60 H new ATOM 0 HB1 ALA A 40 -20.053 -4.924 -14.449 1.00 2.61 H new ATOM 0 HB2 ALA A 40 -20.815 -5.803 -13.102 1.00 2.61 H new ATOM 0 HB3 ALA A 40 -20.088 -4.203 -12.823 1.00 2.61 H new ATOM 624 N ALA A 41 -17.465 -3.738 -12.764 1.00 2.52 N ATOM 625 CA ALA A 41 -16.452 -2.744 -13.047 1.00 2.63 C ATOM 626 C ALA A 41 -15.051 -3.334 -13.120 1.00 2.66 C ATOM 627 O ALA A 41 -14.341 -3.122 -14.100 1.00 2.89 O ATOM 628 CB ALA A 41 -16.499 -1.680 -11.986 1.00 2.54 C ATOM 0 H ALA A 41 -18.091 -3.493 -11.996 1.00 2.52 H new ATOM 0 HA ALA A 41 -16.670 -2.322 -14.028 1.00 2.63 H new ATOM 0 HB1 ALA A 41 -15.738 -0.927 -12.192 1.00 2.54 H new ATOM 0 HB2 ALA A 41 -17.483 -1.211 -11.984 1.00 2.54 H new ATOM 0 HB3 ALA A 41 -16.310 -2.130 -11.011 1.00 2.54 H new ATOM 634 N MET A 42 -14.662 -4.094 -12.110 1.00 2.47 N ATOM 635 CA MET A 42 -13.338 -4.696 -12.097 1.00 2.49 C ATOM 636 C MET A 42 -13.201 -5.703 -13.232 1.00 2.73 C ATOM 637 O MET A 42 -12.124 -5.878 -13.782 1.00 2.88 O ATOM 638 CB MET A 42 -13.003 -5.340 -10.748 1.00 2.29 C ATOM 639 CG MET A 42 -13.942 -6.443 -10.325 1.00 2.26 C ATOM 640 SD MET A 42 -13.694 -6.917 -8.607 1.00 2.15 S ATOM 641 CE MET A 42 -13.894 -5.319 -7.836 1.00 2.02 C ATOM 0 H MET A 42 -15.237 -4.308 -11.295 1.00 2.47 H new ATOM 0 HA MET A 42 -12.615 -3.894 -12.249 1.00 2.49 H new ATOM 0 HB2 MET A 42 -11.990 -5.741 -10.794 1.00 2.29 H new ATOM 0 HB3 MET A 42 -13.005 -4.566 -9.981 1.00 2.29 H new ATOM 0 HG2 MET A 42 -14.972 -6.116 -10.466 1.00 2.26 H new ATOM 0 HG3 MET A 42 -13.793 -7.312 -10.966 1.00 2.26 H new ATOM 0 HE1 MET A 42 -14.162 -5.452 -6.788 1.00 2.02 H new ATOM 0 HE2 MET A 42 -12.959 -4.763 -7.904 1.00 2.02 H new ATOM 0 HE3 MET A 42 -14.683 -4.766 -8.345 1.00 2.02 H new ATOM 651 N ALA A 43 -14.303 -6.357 -13.582 1.00 2.80 N ATOM 652 CA ALA A 43 -14.285 -7.366 -14.637 1.00 3.09 C ATOM 653 C ALA A 43 -14.106 -6.718 -16.002 1.00 3.36 C ATOM 654 O ALA A 43 -13.303 -7.171 -16.817 1.00 3.60 O ATOM 655 CB ALA A 43 -15.554 -8.203 -14.610 1.00 3.15 C ATOM 0 H ALA A 43 -15.217 -6.208 -13.153 1.00 2.80 H new ATOM 0 HA ALA A 43 -13.436 -8.025 -14.455 1.00 3.09 H new ATOM 0 HB1 ALA A 43 -15.516 -8.947 -15.406 1.00 3.15 H new ATOM 0 HB2 ALA A 43 -15.638 -8.706 -13.647 1.00 3.15 H new ATOM 0 HB3 ALA A 43 -16.419 -7.557 -14.759 1.00 3.15 H new ATOM 661 N GLU A 44 -14.856 -5.648 -16.234 1.00 3.34 N ATOM 662 CA GLU A 44 -14.803 -4.928 -17.499 1.00 3.63 C ATOM 663 C GLU A 44 -13.461 -4.242 -17.661 1.00 3.73 C ATOM 664 O GLU A 44 -12.864 -4.257 -18.736 1.00 4.02 O ATOM 665 CB GLU A 44 -15.913 -3.886 -17.556 1.00 3.61 C ATOM 666 CG GLU A 44 -17.227 -4.371 -16.990 1.00 3.44 C ATOM 667 CD GLU A 44 -18.410 -4.119 -17.904 1.00 3.74 C ATOM 668 OE1 GLU A 44 -18.634 -4.939 -18.819 1.00 4.09 O ATOM 669 OE2 GLU A 44 -19.115 -3.104 -17.723 1.00 3.86 O ATOM 0 H GLU A 44 -15.512 -5.258 -15.557 1.00 3.34 H new ATOM 0 HA GLU A 44 -14.937 -5.646 -18.308 1.00 3.63 H new ATOM 0 HB2 GLU A 44 -15.596 -2.999 -17.007 1.00 3.61 H new ATOM 0 HB3 GLU A 44 -16.063 -3.583 -18.592 1.00 3.61 H new ATOM 0 HG2 GLU A 44 -17.154 -5.440 -16.789 1.00 3.44 H new ATOM 0 HG3 GLU A 44 -17.405 -3.879 -16.034 1.00 3.44 H new ATOM 676 N LEU A 45 -12.992 -3.635 -16.581 1.00 3.50 N ATOM 677 CA LEU A 45 -11.704 -2.951 -16.601 1.00 3.59 C ATOM 678 C LEU A 45 -10.566 -3.952 -16.440 1.00 3.56 C ATOM 679 O LEU A 45 -9.396 -3.566 -16.417 1.00 3.63 O ATOM 680 CB LEU A 45 -11.614 -1.906 -15.482 1.00 3.41 C ATOM 681 CG LEU A 45 -12.829 -0.992 -15.316 1.00 3.38 C ATOM 682 CD1 LEU A 45 -12.474 0.206 -14.447 1.00 3.36 C ATOM 683 CD2 LEU A 45 -13.370 -0.552 -16.669 1.00 3.71 C ATOM 0 H LEU A 45 -13.478 -3.601 -15.685 1.00 3.50 H new ATOM 0 HA LEU A 45 -11.616 -2.447 -17.564 1.00 3.59 H new ATOM 0 HB2 LEU A 45 -11.445 -2.426 -14.539 1.00 3.41 H new ATOM 0 HB3 LEU A 45 -10.738 -1.283 -15.664 1.00 3.41 H new ATOM 0 HG LEU A 45 -13.618 -1.554 -14.816 1.00 3.38 H new ATOM 0 HD11 LEU A 45 -13.348 0.848 -14.337 1.00 3.36 H new ATOM 0 HD12 LEU A 45 -12.152 -0.140 -13.465 1.00 3.36 H new ATOM 0 HD13 LEU A 45 -11.667 0.769 -14.916 1.00 3.36 H new ATOM 0 HD21 LEU A 45 -14.233 0.097 -16.522 1.00 3.71 H new ATOM 0 HD22 LEU A 45 -12.596 -0.009 -17.211 1.00 3.71 H new ATOM 0 HD23 LEU A 45 -13.669 -1.429 -17.244 1.00 3.71 H new ATOM 695 N ASN A 46 -10.926 -5.232 -16.315 1.00 3.49 N ATOM 696 CA ASN A 46 -9.961 -6.331 -16.147 1.00 3.50 C ATOM 697 C ASN A 46 -9.380 -6.340 -14.729 1.00 3.19 C ATOM 698 O ASN A 46 -9.334 -7.388 -14.082 1.00 3.08 O ATOM 699 CB ASN A 46 -8.850 -6.263 -17.215 1.00 3.80 C ATOM 700 CG ASN A 46 -7.499 -6.751 -16.721 1.00 3.84 C ATOM 701 OD1 ASN A 46 -6.652 -5.957 -16.313 1.00 4.18 O ATOM 702 ND2 ASN A 46 -7.282 -8.058 -16.761 1.00 3.81 N ATOM 0 H ASN A 46 -11.898 -5.540 -16.327 1.00 3.49 H new ATOM 0 HA ASN A 46 -10.493 -7.272 -16.289 1.00 3.50 H new ATOM 0 HB2 ASN A 46 -9.149 -6.860 -18.077 1.00 3.80 H new ATOM 0 HB3 ASN A 46 -8.751 -5.233 -17.559 1.00 3.80 H new ATOM 0 HD21 ASN A 46 -6.388 -8.436 -16.447 1.00 3.81 H new ATOM 0 HD22 ASN A 46 -8.009 -8.685 -17.106 1.00 3.81 H new ATOM 1030 N THR B 5 5.399 -9.899 4.024 1.00 2.76 N ATOM 1031 CA THR B 5 5.509 -8.545 3.555 1.00 2.63 C ATOM 1032 C THR B 5 6.989 -8.268 3.433 1.00 2.52 C ATOM 1033 O THR B 5 7.772 -8.886 4.149 1.00 2.57 O ATOM 1034 CB THR B 5 4.860 -7.577 4.563 1.00 2.87 C ATOM 1035 OG1 THR B 5 4.149 -8.324 5.560 1.00 3.17 O ATOM 1036 CG2 THR B 5 3.891 -6.636 3.878 1.00 2.93 C ATOM 0 HA THR B 5 4.998 -8.407 2.602 1.00 2.63 H new ATOM 0 HB THR B 5 5.656 -6.989 5.021 1.00 2.87 H new ATOM 0 HG1 THR B 5 4.738 -9.010 5.937 1.00 3.17 H new ATOM 0 HG21 THR B 5 3.450 -5.966 4.617 1.00 2.93 H new ATOM 0 HG22 THR B 5 4.422 -6.050 3.128 1.00 2.93 H new ATOM 0 HG23 THR B 5 3.102 -7.214 3.396 1.00 2.93 H new ATOM 1044 N LEU B 6 7.407 -7.395 2.534 1.00 2.40 N ATOM 1045 CA LEU B 6 8.837 -7.130 2.412 1.00 2.35 C ATOM 1046 C LEU B 6 9.392 -6.613 3.733 1.00 2.56 C ATOM 1047 O LEU B 6 10.586 -6.702 4.005 1.00 2.56 O ATOM 1048 CB LEU B 6 9.136 -6.198 1.258 1.00 2.33 C ATOM 1049 CG LEU B 6 9.958 -6.831 0.149 1.00 2.21 C ATOM 1050 CD1 LEU B 6 10.339 -5.798 -0.893 1.00 2.35 C ATOM 1051 CD2 LEU B 6 11.193 -7.505 0.716 1.00 2.15 C ATOM 0 H LEU B 6 6.806 -6.872 1.897 1.00 2.40 H new ATOM 0 HA LEU B 6 9.343 -8.068 2.184 1.00 2.35 H new ATOM 0 HB2 LEU B 6 8.195 -5.841 0.840 1.00 2.33 H new ATOM 0 HB3 LEU B 6 9.668 -5.326 1.638 1.00 2.33 H new ATOM 0 HG LEU B 6 9.348 -7.593 -0.336 1.00 2.21 H new ATOM 0 HD11 LEU B 6 10.927 -6.273 -1.678 1.00 2.35 H new ATOM 0 HD12 LEU B 6 9.436 -5.368 -1.326 1.00 2.35 H new ATOM 0 HD13 LEU B 6 10.928 -5.009 -0.425 1.00 2.35 H new ATOM 0 HD21 LEU B 6 11.768 -7.952 -0.095 1.00 2.15 H new ATOM 0 HD22 LEU B 6 11.807 -6.766 1.231 1.00 2.15 H new ATOM 0 HD23 LEU B 6 10.893 -8.282 1.419 1.00 2.15 H new ATOM 1063 N TYR B 7 8.491 -6.085 4.546 1.00 2.79 N ATOM 1064 CA TYR B 7 8.813 -5.594 5.876 1.00 3.08 C ATOM 1065 C TYR B 7 9.282 -6.767 6.752 1.00 3.12 C ATOM 1066 O TYR B 7 10.204 -6.647 7.554 1.00 3.25 O ATOM 1067 CB TYR B 7 7.564 -4.978 6.510 1.00 3.33 C ATOM 1068 CG TYR B 7 7.512 -3.468 6.570 1.00 3.53 C ATOM 1069 CD1 TYR B 7 8.675 -2.742 6.363 1.00 3.59 C ATOM 1070 CD2 TYR B 7 6.335 -2.767 6.813 1.00 3.70 C ATOM 1071 CE1 TYR B 7 8.676 -1.366 6.391 1.00 3.84 C ATOM 1072 CE2 TYR B 7 6.329 -1.382 6.845 1.00 3.93 C ATOM 1073 CZ TYR B 7 7.331 -0.698 6.735 1.00 4.03 C ATOM 1074 OH TYR B 7 7.499 0.691 6.654 1.00 4.28 O ATOM 0 H TYR B 7 7.507 -5.984 4.299 1.00 2.79 H new ATOM 0 HA TYR B 7 9.600 -4.844 5.801 1.00 3.08 H new ATOM 0 HB2 TYR B 7 6.693 -5.328 5.956 1.00 3.33 H new ATOM 0 HB3 TYR B 7 7.472 -5.363 7.526 1.00 3.33 H new ATOM 0 HD1 TYR B 7 9.600 -3.267 6.176 1.00 3.59 H new ATOM 0 HD2 TYR B 7 5.416 -3.309 6.979 1.00 3.70 H new ATOM 0 HE1 TYR B 7 9.566 -0.790 6.184 1.00 3.84 H new ATOM 0 HE2 TYR B 7 5.382 -0.880 6.975 1.00 3.93 H new ATOM 0 HH TYR B 7 6.653 1.136 6.869 1.00 4.28 H new ATOM 1084 N ASP B 8 8.622 -7.910 6.541 1.00 3.03 N ATOM 1085 CA ASP B 8 8.875 -9.154 7.276 1.00 3.14 C ATOM 1086 C ASP B 8 10.252 -9.675 6.944 1.00 2.96 C ATOM 1087 O ASP B 8 10.998 -10.109 7.822 1.00 3.10 O ATOM 1088 CB ASP B 8 7.794 -10.198 6.935 1.00 3.13 C ATOM 1089 CG ASP B 8 6.565 -10.080 7.815 1.00 3.41 C ATOM 1090 OD1 ASP B 8 6.613 -10.562 8.966 1.00 3.77 O ATOM 1091 OD2 ASP B 8 5.555 -9.497 7.366 1.00 3.29 O ATOM 0 H ASP B 8 7.884 -7.999 5.843 1.00 3.03 H new ATOM 0 HA ASP B 8 8.831 -8.956 8.347 1.00 3.14 H new ATOM 0 HB2 ASP B 8 7.501 -10.083 5.892 1.00 3.13 H new ATOM 0 HB3 ASP B 8 8.215 -11.198 7.039 1.00 3.13 H new ATOM 1096 N VAL B 9 10.590 -9.608 5.667 1.00 2.68 N ATOM 1097 CA VAL B 9 11.880 -10.053 5.199 1.00 2.52 C ATOM 1098 C VAL B 9 12.942 -9.121 5.739 1.00 2.58 C ATOM 1099 O VAL B 9 13.980 -9.543 6.230 1.00 2.60 O ATOM 1100 CB VAL B 9 11.932 -10.063 3.666 1.00 2.28 C ATOM 1101 CG1 VAL B 9 13.329 -10.366 3.183 1.00 2.17 C ATOM 1102 CG2 VAL B 9 10.948 -11.069 3.107 1.00 2.28 C ATOM 0 H VAL B 9 9.979 -9.246 4.935 1.00 2.68 H new ATOM 0 HA VAL B 9 12.055 -11.070 5.551 1.00 2.52 H new ATOM 0 HB VAL B 9 11.653 -9.072 3.308 1.00 2.28 H new ATOM 0 HG11 VAL B 9 13.345 -10.369 2.093 1.00 2.17 H new ATOM 0 HG12 VAL B 9 14.015 -9.605 3.554 1.00 2.17 H new ATOM 0 HG13 VAL B 9 13.638 -11.344 3.552 1.00 2.17 H new ATOM 0 HG21 VAL B 9 10.999 -11.062 2.018 1.00 2.28 H new ATOM 0 HG22 VAL B 9 11.196 -12.064 3.475 1.00 2.28 H new ATOM 0 HG23 VAL B 9 9.939 -10.806 3.424 1.00 2.28 H new ATOM 1112 N ALA B 10 12.631 -7.845 5.652 1.00 2.67 N ATOM 1113 CA ALA B 10 13.514 -6.781 6.107 1.00 2.84 C ATOM 1114 C ALA B 10 13.855 -6.936 7.585 1.00 3.09 C ATOM 1115 O ALA B 10 15.020 -6.842 7.976 1.00 3.13 O ATOM 1116 CB ALA B 10 12.839 -5.454 5.835 1.00 2.99 C ATOM 0 H ALA B 10 11.751 -7.509 5.260 1.00 2.67 H new ATOM 0 HA ALA B 10 14.458 -6.831 5.564 1.00 2.84 H new ATOM 0 HB1 ALA B 10 13.485 -4.642 6.169 1.00 2.99 H new ATOM 0 HB2 ALA B 10 12.653 -5.353 4.766 1.00 2.99 H new ATOM 0 HB3 ALA B 10 11.893 -5.410 6.374 1.00 2.99 H new ATOM 1122 N GLU B 11 12.837 -7.196 8.386 1.00 3.27 N ATOM 1123 CA GLU B 11 12.999 -7.375 9.816 1.00 3.56 C ATOM 1124 C GLU B 11 13.860 -8.597 10.073 1.00 3.49 C ATOM 1125 O GLU B 11 14.817 -8.558 10.852 1.00 3.61 O ATOM 1126 CB GLU B 11 11.633 -7.529 10.494 1.00 3.79 C ATOM 1127 CG GLU B 11 11.565 -6.863 11.849 1.00 4.20 C ATOM 1128 CD GLU B 11 10.183 -6.917 12.473 1.00 4.71 C ATOM 1129 OE1 GLU B 11 9.845 -7.951 13.091 1.00 4.85 O ATOM 1130 OE2 GLU B 11 9.422 -5.939 12.333 1.00 5.21 O ATOM 0 H GLU B 11 11.874 -7.289 8.062 1.00 3.27 H new ATOM 0 HA GLU B 11 13.488 -6.496 10.236 1.00 3.56 H new ATOM 0 HB2 GLU B 11 10.864 -7.105 9.848 1.00 3.79 H new ATOM 0 HB3 GLU B 11 11.407 -8.589 10.605 1.00 3.79 H new ATOM 0 HG2 GLU B 11 12.278 -7.343 12.519 1.00 4.20 H new ATOM 0 HG3 GLU B 11 11.872 -5.822 11.751 1.00 4.20 H new ATOM 1137 N TYR B 12 13.490 -9.686 9.419 1.00 3.31 N ATOM 1138 CA TYR B 12 14.197 -10.947 9.530 1.00 3.27 C ATOM 1139 C TYR B 12 15.643 -10.815 9.046 1.00 3.07 C ATOM 1140 O TYR B 12 16.523 -11.545 9.502 1.00 3.12 O ATOM 1141 CB TYR B 12 13.462 -12.007 8.711 1.00 3.15 C ATOM 1142 CG TYR B 12 14.030 -13.399 8.830 1.00 3.21 C ATOM 1143 CD1 TYR B 12 14.087 -14.058 10.051 1.00 3.52 C ATOM 1144 CD2 TYR B 12 14.491 -14.061 7.708 1.00 3.01 C ATOM 1145 CE1 TYR B 12 14.593 -15.341 10.142 1.00 3.62 C ATOM 1146 CE2 TYR B 12 14.997 -15.336 7.784 1.00 3.12 C ATOM 1147 CZ TYR B 12 15.042 -15.977 9.006 1.00 3.42 C ATOM 1148 OH TYR B 12 15.547 -17.257 9.096 1.00 3.57 O ATOM 0 H TYR B 12 12.685 -9.718 8.793 1.00 3.31 H new ATOM 0 HA TYR B 12 14.224 -11.243 10.579 1.00 3.27 H new ATOM 0 HB2 TYR B 12 12.417 -12.027 9.022 1.00 3.15 H new ATOM 0 HB3 TYR B 12 13.477 -11.711 7.662 1.00 3.15 H new ATOM 0 HD1 TYR B 12 13.731 -13.561 10.942 1.00 3.52 H new ATOM 0 HD2 TYR B 12 14.453 -13.565 6.750 1.00 3.01 H new ATOM 0 HE1 TYR B 12 14.636 -15.842 11.098 1.00 3.62 H new ATOM 0 HE2 TYR B 12 15.357 -15.833 6.895 1.00 3.12 H new ATOM 0 HH TYR B 12 15.111 -17.729 9.836 1.00 3.57 H new ATOM 1158 N ALA B 13 15.894 -9.874 8.133 1.00 2.88 N ATOM 1159 CA ALA B 13 17.232 -9.676 7.601 1.00 2.72 C ATOM 1160 C ALA B 13 18.010 -8.742 8.521 1.00 2.94 C ATOM 1161 O ALA B 13 19.239 -8.787 8.592 1.00 2.90 O ATOM 1162 CB ALA B 13 17.150 -9.085 6.212 1.00 2.52 C ATOM 0 H ALA B 13 15.188 -9.243 7.752 1.00 2.88 H new ATOM 0 HA ALA B 13 17.746 -10.636 7.545 1.00 2.72 H new ATOM 0 HB1 ALA B 13 18.156 -8.939 5.819 1.00 2.52 H new ATOM 0 HB2 ALA B 13 16.600 -9.764 5.560 1.00 2.52 H new ATOM 0 HB3 ALA B 13 16.634 -8.126 6.255 1.00 2.52 H new ATOM 1168 N GLY B 14 17.259 -7.890 9.214 1.00 3.18 N ATOM 1169 CA GLY B 14 17.830 -6.949 10.154 1.00 3.46 C ATOM 1170 C GLY B 14 18.217 -5.660 9.480 1.00 3.50 C ATOM 1171 O GLY B 14 19.200 -5.021 9.847 1.00 3.66 O ATOM 0 H GLY B 14 16.243 -7.838 9.136 1.00 3.18 H new ATOM 0 HA2 GLY B 14 17.111 -6.744 10.947 1.00 3.46 H new ATOM 0 HA3 GLY B 14 18.707 -7.392 10.626 1.00 3.46 H new ATOM 1175 N VAL B 15 17.436 -5.298 8.472 1.00 3.38 N ATOM 1176 CA VAL B 15 17.702 -4.110 7.656 1.00 3.45 C ATOM 1177 C VAL B 15 16.412 -3.388 7.271 1.00 3.53 C ATOM 1178 O VAL B 15 15.374 -4.042 7.171 1.00 3.41 O ATOM 1179 CB VAL B 15 18.465 -4.518 6.404 1.00 3.19 C ATOM 1180 CG1 VAL B 15 19.890 -4.870 6.763 1.00 3.17 C ATOM 1181 CG2 VAL B 15 17.763 -5.693 5.787 1.00 2.87 C ATOM 0 H VAL B 15 16.602 -5.814 8.193 1.00 3.38 H new ATOM 0 HA VAL B 15 18.301 -3.418 8.248 1.00 3.45 H new ATOM 0 HB VAL B 15 18.494 -3.695 5.689 1.00 3.19 H new ATOM 0 HG11 VAL B 15 20.431 -5.161 5.863 1.00 3.17 H new ATOM 0 HG12 VAL B 15 20.376 -4.005 7.214 1.00 3.17 H new ATOM 0 HG13 VAL B 15 19.893 -5.698 7.472 1.00 3.17 H new ATOM 0 HG21 VAL B 15 18.294 -6.002 4.887 1.00 2.87 H new ATOM 0 HG22 VAL B 15 17.742 -6.519 6.498 1.00 2.87 H new ATOM 0 HG23 VAL B 15 16.742 -5.412 5.528 1.00 2.87 H new ATOM 1191 N SER B 16 16.458 -2.058 7.066 1.00 3.79 N ATOM 1192 CA SER B 16 15.236 -1.337 6.717 1.00 3.90 C ATOM 1193 C SER B 16 14.564 -1.940 5.502 1.00 3.60 C ATOM 1194 O SER B 16 15.181 -2.641 4.694 1.00 3.35 O ATOM 1195 CB SER B 16 15.476 0.175 6.547 1.00 4.20 C ATOM 1196 OG SER B 16 16.070 0.494 5.301 1.00 4.38 O ATOM 0 H SER B 16 17.299 -1.485 7.134 1.00 3.79 H new ATOM 0 HA SER B 16 14.552 -1.449 7.558 1.00 3.90 H new ATOM 0 HB2 SER B 16 14.527 0.703 6.639 1.00 4.20 H new ATOM 0 HB3 SER B 16 16.118 0.531 7.353 1.00 4.20 H new ATOM 0 HG SER B 16 16.824 -0.110 5.134 1.00 4.38 H new ATOM 1202 N TYR B 17 13.301 -1.625 5.370 1.00 3.62 N ATOM 1203 CA TYR B 17 12.492 -2.144 4.287 1.00 3.38 C ATOM 1204 C TYR B 17 13.202 -1.877 2.943 1.00 3.32 C ATOM 1205 O TYR B 17 13.571 -2.811 2.250 1.00 3.10 O ATOM 1206 CB TYR B 17 11.155 -1.412 4.373 1.00 3.51 C ATOM 1207 CG TYR B 17 10.217 -1.754 3.288 1.00 3.30 C ATOM 1208 CD1 TYR B 17 9.655 -3.012 3.184 1.00 3.03 C ATOM 1209 CD2 TYR B 17 9.889 -0.798 2.364 1.00 3.42 C ATOM 1210 CE1 TYR B 17 8.782 -3.306 2.163 1.00 2.87 C ATOM 1211 CE2 TYR B 17 9.023 -1.066 1.356 1.00 3.26 C ATOM 1212 CZ TYR B 17 8.468 -2.459 1.293 1.00 2.94 C ATOM 1213 OH TYR B 17 7.611 -2.575 0.218 1.00 2.85 O ATOM 0 H TYR B 17 12.802 -1.004 6.006 1.00 3.62 H new ATOM 0 HA TYR B 17 12.340 -3.221 4.358 1.00 3.38 H new ATOM 0 HB2 TYR B 17 10.687 -1.641 5.330 1.00 3.51 H new ATOM 0 HB3 TYR B 17 11.338 -0.338 4.357 1.00 3.51 H new ATOM 0 HD1 TYR B 17 9.904 -3.771 3.911 1.00 3.03 H new ATOM 0 HD2 TYR B 17 10.328 0.186 2.440 1.00 3.42 H new ATOM 0 HE1 TYR B 17 8.354 -4.296 2.109 1.00 2.87 H new ATOM 0 HE2 TYR B 17 8.746 -0.313 0.633 1.00 3.26 H new ATOM 0 HH TYR B 17 7.583 -1.726 -0.271 1.00 2.85 H new ATOM 1223 N GLN B 18 13.466 -0.592 2.668 1.00 3.58 N ATOM 1224 CA GLN B 18 14.164 -0.172 1.490 1.00 3.64 C ATOM 1225 C GLN B 18 15.642 -0.482 1.577 1.00 3.63 C ATOM 1226 O GLN B 18 16.444 0.080 0.808 1.00 3.77 O ATOM 1227 CB GLN B 18 13.931 1.317 1.192 1.00 3.96 C ATOM 1228 CG GLN B 18 13.749 1.620 -0.266 1.00 4.35 C ATOM 1229 CD GLN B 18 12.796 0.650 -0.899 1.00 4.69 C ATOM 1230 OE1 GLN B 18 13.132 0.005 -1.900 1.00 5.01 O ATOM 1231 NE2 GLN B 18 11.567 0.599 -0.366 1.00 5.04 N ATOM 0 H GLN B 18 13.189 0.178 3.277 1.00 3.58 H new ATOM 0 HA GLN B 18 13.754 -0.744 0.657 1.00 3.64 H new ATOM 0 HB2 GLN B 18 13.049 1.654 1.737 1.00 3.96 H new ATOM 0 HB3 GLN B 18 14.777 1.891 1.570 1.00 3.96 H new ATOM 0 HG2 GLN B 18 13.373 2.636 -0.386 1.00 4.35 H new ATOM 0 HG3 GLN B 18 14.712 1.574 -0.774 1.00 4.35 H new ATOM 0 HE21 GLN B 18 11.346 1.153 0.461 1.00 5.04 H new ATOM 0 HE22 GLN B 18 10.852 0.006 -0.788 1.00 5.04 H new ATOM 1240 N THR B 19 16.061 -1.168 2.602 1.00 3.52 N ATOM 1241 CA THR B 19 17.412 -1.655 2.565 1.00 3.47 C ATOM 1242 C THR B 19 17.260 -2.761 1.500 1.00 3.18 C ATOM 1243 O THR B 19 17.702 -2.616 0.373 1.00 3.24 O ATOM 1244 CB THR B 19 17.956 -2.261 3.874 1.00 3.43 C ATOM 1245 OG1 THR B 19 18.188 -1.275 4.923 1.00 3.78 O ATOM 1246 CG2 THR B 19 19.243 -2.998 3.567 1.00 3.34 C ATOM 0 H THR B 19 15.519 -1.395 3.436 1.00 3.52 H new ATOM 0 HA THR B 19 18.125 -0.853 2.373 1.00 3.47 H new ATOM 0 HB THR B 19 17.194 -2.938 4.260 1.00 3.43 H new ATOM 0 HG1 THR B 19 18.923 -1.575 5.497 1.00 3.78 H new ATOM 0 HG21 THR B 19 19.641 -3.433 4.484 1.00 3.34 H new ATOM 0 HG22 THR B 19 19.045 -3.791 2.845 1.00 3.34 H new ATOM 0 HG23 THR B 19 19.971 -2.302 3.150 1.00 3.34 H new ATOM 1254 N VAL B 20 16.428 -3.751 1.867 1.00 2.93 N ATOM 1255 CA VAL B 20 16.079 -4.934 1.042 1.00 2.66 C ATOM 1256 C VAL B 20 15.063 -4.704 -0.088 1.00 2.69 C ATOM 1257 O VAL B 20 15.117 -5.386 -1.095 1.00 2.62 O ATOM 1258 CB VAL B 20 15.630 -6.134 1.938 1.00 2.44 C ATOM 1259 CG1 VAL B 20 15.654 -5.782 3.418 1.00 2.57 C ATOM 1260 CG2 VAL B 20 14.239 -6.682 1.620 1.00 2.33 C ATOM 0 H VAL B 20 15.962 -3.755 2.774 1.00 2.93 H new ATOM 0 HA VAL B 20 17.011 -5.168 0.527 1.00 2.66 H new ATOM 0 HB VAL B 20 16.363 -6.907 1.707 1.00 2.44 H new ATOM 0 HG11 VAL B 20 15.335 -6.645 4.002 1.00 2.57 H new ATOM 0 HG12 VAL B 20 16.666 -5.501 3.709 1.00 2.57 H new ATOM 0 HG13 VAL B 20 14.978 -4.947 3.605 1.00 2.57 H new ATOM 0 HG21 VAL B 20 14.013 -7.511 2.290 1.00 2.33 H new ATOM 0 HG22 VAL B 20 13.498 -5.894 1.754 1.00 2.33 H new ATOM 0 HG23 VAL B 20 14.213 -7.032 0.588 1.00 2.33 H new ATOM 1270 N SER B 21 14.121 -3.815 0.090 1.00 2.83 N ATOM 1271 CA SER B 21 13.137 -3.537 -0.937 1.00 2.87 C ATOM 1272 C SER B 21 13.848 -3.000 -2.146 1.00 3.09 C ATOM 1273 O SER B 21 13.436 -3.239 -3.267 1.00 3.10 O ATOM 1274 CB SER B 21 12.117 -2.531 -0.418 1.00 3.04 C ATOM 1275 OG SER B 21 10.999 -2.415 -1.281 1.00 3.23 O ATOM 0 H SER B 21 14.010 -3.265 0.941 1.00 2.83 H new ATOM 0 HA SER B 21 12.604 -4.449 -1.207 1.00 2.87 H new ATOM 0 HB2 SER B 21 11.780 -2.835 0.573 1.00 3.04 H new ATOM 0 HB3 SER B 21 12.593 -1.556 -0.308 1.00 3.04 H new ATOM 0 HG SER B 21 10.205 -2.178 -0.758 1.00 3.23 H new ATOM 1281 N ARG B 22 14.933 -2.279 -1.900 1.00 3.32 N ATOM 1282 CA ARG B 22 15.731 -1.723 -2.970 1.00 3.59 C ATOM 1283 C ARG B 22 16.389 -2.881 -3.679 1.00 3.45 C ATOM 1284 O ARG B 22 16.622 -2.862 -4.882 1.00 3.63 O ATOM 1285 CB ARG B 22 16.760 -0.741 -2.388 1.00 3.86 C ATOM 1286 CG ARG B 22 18.128 -0.815 -3.039 1.00 4.07 C ATOM 1287 CD ARG B 22 19.170 -0.084 -2.219 1.00 4.20 C ATOM 1288 NE ARG B 22 18.950 1.358 -2.226 1.00 4.64 N ATOM 1289 CZ ARG B 22 19.928 2.258 -2.258 1.00 4.85 C ATOM 1290 NH1 ARG B 22 21.194 1.859 -2.324 1.00 4.70 N ATOM 1291 NH2 ARG B 22 19.641 3.556 -2.219 1.00 5.40 N ATOM 0 H ARG B 22 15.277 -2.068 -0.963 1.00 3.32 H new ATOM 0 HA ARG B 22 15.125 -1.161 -3.680 1.00 3.59 H new ATOM 0 HB2 ARG B 22 16.376 0.274 -2.491 1.00 3.86 H new ATOM 0 HB3 ARG B 22 16.867 -0.935 -1.321 1.00 3.86 H new ATOM 0 HG2 ARG B 22 18.421 -1.858 -3.156 1.00 4.07 H new ATOM 0 HG3 ARG B 22 18.081 -0.383 -4.039 1.00 4.07 H new ATOM 0 HD2 ARG B 22 19.148 -0.450 -1.193 1.00 4.20 H new ATOM 0 HD3 ARG B 22 20.162 -0.302 -2.614 1.00 4.20 H new ATOM 0 HE ARG B 22 17.988 1.696 -2.205 1.00 4.64 H new ATOM 0 HH11 ARG B 22 21.414 0.863 -2.350 1.00 4.70 H new ATOM 0 HH12 ARG B 22 21.945 2.548 -2.349 1.00 4.70 H new ATOM 0 HH21 ARG B 22 18.670 3.862 -2.164 1.00 5.40 H new ATOM 0 HH22 ARG B 22 20.392 4.245 -2.244 1.00 5.40 H new ATOM 1305 N VAL B 23 16.646 -3.914 -2.898 1.00 3.17 N ATOM 1306 CA VAL B 23 17.223 -5.130 -3.396 1.00 3.05 C ATOM 1307 C VAL B 23 16.218 -5.781 -4.354 1.00 3.00 C ATOM 1308 O VAL B 23 16.542 -6.110 -5.494 1.00 3.18 O ATOM 1309 CB VAL B 23 17.547 -6.069 -2.212 1.00 2.77 C ATOM 1310 CG1 VAL B 23 18.058 -7.409 -2.680 1.00 2.66 C ATOM 1311 CG2 VAL B 23 18.540 -5.411 -1.258 1.00 2.87 C ATOM 0 H VAL B 23 16.456 -3.924 -1.896 1.00 3.17 H new ATOM 0 HA VAL B 23 18.151 -4.928 -3.931 1.00 3.05 H new ATOM 0 HB VAL B 23 16.616 -6.249 -1.674 1.00 2.77 H new ATOM 0 HG11 VAL B 23 18.274 -8.038 -1.816 1.00 2.66 H new ATOM 0 HG12 VAL B 23 17.302 -7.890 -3.300 1.00 2.66 H new ATOM 0 HG13 VAL B 23 18.969 -7.268 -3.262 1.00 2.66 H new ATOM 0 HG21 VAL B 23 18.754 -6.089 -0.432 1.00 2.87 H new ATOM 0 HG22 VAL B 23 19.463 -5.186 -1.792 1.00 2.87 H new ATOM 0 HG23 VAL B 23 18.112 -4.487 -0.868 1.00 2.87 H new ATOM 1321 N VAL B 24 14.988 -5.923 -3.863 1.00 2.81 N ATOM 1322 CA VAL B 24 13.875 -6.489 -4.630 1.00 2.77 C ATOM 1323 C VAL B 24 13.420 -5.564 -5.771 1.00 3.04 C ATOM 1324 O VAL B 24 12.816 -6.016 -6.747 1.00 3.12 O ATOM 1325 CB VAL B 24 12.680 -6.825 -3.693 1.00 2.53 C ATOM 1326 CG1 VAL B 24 11.477 -7.350 -4.468 1.00 2.54 C ATOM 1327 CG2 VAL B 24 13.106 -7.842 -2.638 1.00 2.32 C ATOM 0 H VAL B 24 14.732 -5.647 -2.915 1.00 2.81 H new ATOM 0 HA VAL B 24 14.238 -7.409 -5.088 1.00 2.77 H new ATOM 0 HB VAL B 24 12.379 -5.899 -3.204 1.00 2.53 H new ATOM 0 HG11 VAL B 24 10.666 -7.572 -3.774 1.00 2.54 H new ATOM 0 HG12 VAL B 24 11.147 -6.596 -5.183 1.00 2.54 H new ATOM 0 HG13 VAL B 24 11.756 -8.258 -5.002 1.00 2.54 H new ATOM 0 HG21 VAL B 24 12.260 -8.069 -1.989 1.00 2.32 H new ATOM 0 HG22 VAL B 24 13.442 -8.756 -3.128 1.00 2.32 H new ATOM 0 HG23 VAL B 24 13.920 -7.429 -2.043 1.00 2.32 H new ATOM 1480 N ARG B 35 22.553 -8.197 0.466 1.00 2.50 N ATOM 1481 CA ARG B 35 21.800 -9.076 -0.412 1.00 2.44 C ATOM 1482 C ARG B 35 21.688 -10.474 0.175 1.00 2.25 C ATOM 1483 O ARG B 35 20.631 -11.091 0.133 1.00 2.20 O ATOM 1484 CB ARG B 35 22.465 -9.175 -1.785 1.00 2.67 C ATOM 1485 CG ARG B 35 22.601 -7.853 -2.512 1.00 2.98 C ATOM 1486 CD ARG B 35 23.258 -8.047 -3.869 1.00 3.19 C ATOM 1487 NE ARG B 35 24.456 -8.885 -3.780 1.00 3.34 N ATOM 1488 CZ ARG B 35 25.683 -8.479 -4.112 1.00 3.60 C ATOM 1489 NH1 ARG B 35 25.880 -7.237 -4.554 1.00 3.81 N ATOM 1490 NH2 ARG B 35 26.711 -9.314 -4.002 1.00 3.91 N ATOM 0 HA ARG B 35 20.804 -8.646 -0.517 1.00 2.44 H new ATOM 0 HB2 ARG B 35 23.456 -9.613 -1.664 1.00 2.67 H new ATOM 0 HB3 ARG B 35 21.887 -9.860 -2.406 1.00 2.67 H new ATOM 0 HG2 ARG B 35 21.618 -7.401 -2.641 1.00 2.98 H new ATOM 0 HG3 ARG B 35 23.193 -7.162 -1.912 1.00 2.98 H new ATOM 0 HD2 ARG B 35 22.545 -8.504 -4.556 1.00 3.19 H new ATOM 0 HD3 ARG B 35 23.524 -7.076 -4.286 1.00 3.19 H new ATOM 0 HE ARG B 35 24.345 -9.841 -3.442 1.00 3.34 H new ATOM 0 HH11 ARG B 35 25.092 -6.595 -4.639 1.00 3.81 H new ATOM 0 HH12 ARG B 35 26.819 -6.929 -4.807 1.00 3.81 H new ATOM 0 HH21 ARG B 35 26.562 -10.265 -3.664 1.00 3.91 H new ATOM 0 HH22 ARG B 35 27.649 -9.004 -4.256 1.00 3.91 H new ATOM 1504 N GLU B 36 22.776 -10.937 0.761 1.00 2.21 N ATOM 1505 CA GLU B 36 22.833 -12.273 1.332 1.00 2.13 C ATOM 1506 C GLU B 36 21.889 -12.404 2.517 1.00 2.03 C ATOM 1507 O GLU B 36 21.313 -13.460 2.749 1.00 2.06 O ATOM 1508 CB GLU B 36 24.263 -12.602 1.757 1.00 2.14 C ATOM 1509 CG GLU B 36 25.309 -12.224 0.717 1.00 2.40 C ATOM 1510 CD GLU B 36 25.411 -13.225 -0.422 1.00 2.61 C ATOM 1511 OE1 GLU B 36 25.077 -14.413 -0.203 1.00 2.82 O ATOM 1512 OE2 GLU B 36 25.804 -12.830 -1.543 1.00 2.94 O ATOM 0 H GLU B 36 23.640 -10.404 0.855 1.00 2.21 H new ATOM 0 HA GLU B 36 22.516 -12.983 0.568 1.00 2.13 H new ATOM 0 HB2 GLU B 36 24.485 -12.082 2.689 1.00 2.14 H new ATOM 0 HB3 GLU B 36 24.336 -13.670 1.962 1.00 2.14 H new ATOM 0 HG2 GLU B 36 25.068 -11.243 0.309 1.00 2.40 H new ATOM 0 HG3 GLU B 36 26.281 -12.137 1.203 1.00 2.40 H new ATOM 1519 N LYS B 37 21.721 -11.319 3.257 1.00 2.03 N ATOM 1520 CA LYS B 37 20.843 -11.322 4.414 1.00 2.06 C ATOM 1521 C LYS B 37 19.393 -11.163 3.990 1.00 2.07 C ATOM 1522 O LYS B 37 18.516 -11.866 4.488 1.00 2.14 O ATOM 1523 CB LYS B 37 21.230 -10.209 5.389 1.00 2.19 C ATOM 1524 CG LYS B 37 22.252 -10.643 6.425 1.00 2.53 C ATOM 1525 CD LYS B 37 23.244 -9.534 6.731 1.00 2.52 C ATOM 1526 CE LYS B 37 22.571 -8.323 7.358 1.00 2.77 C ATOM 1527 NZ LYS B 37 22.079 -8.610 8.736 1.00 3.10 N ATOM 0 H LYS B 37 22.181 -10.427 3.076 1.00 2.03 H new ATOM 0 HA LYS B 37 20.955 -12.282 4.918 1.00 2.06 H new ATOM 0 HB2 LYS B 37 21.630 -9.366 4.826 1.00 2.19 H new ATOM 0 HB3 LYS B 37 20.334 -9.855 5.899 1.00 2.19 H new ATOM 0 HG2 LYS B 37 21.740 -10.937 7.341 1.00 2.53 H new ATOM 0 HG3 LYS B 37 22.787 -11.521 6.063 1.00 2.53 H new ATOM 0 HD2 LYS B 37 24.012 -9.911 7.406 1.00 2.52 H new ATOM 0 HD3 LYS B 37 23.747 -9.234 5.812 1.00 2.52 H new ATOM 0 HE2 LYS B 37 23.276 -7.492 7.390 1.00 2.77 H new ATOM 0 HE3 LYS B 37 21.736 -8.008 6.733 1.00 2.77 H new ATOM 0 HZ1 LYS B 37 21.041 -8.668 8.729 1.00 3.10 H new ATOM 0 HZ2 LYS B 37 22.474 -9.514 9.064 1.00 3.10 H new ATOM 0 HZ3 LYS B 37 22.379 -7.848 9.377 1.00 3.10 H new ATOM 1541 N VAL B 38 19.144 -10.250 3.058 1.00 2.07 N ATOM 1542 CA VAL B 38 17.785 -10.005 2.588 1.00 2.08 C ATOM 1543 C VAL B 38 17.264 -11.204 1.793 1.00 2.04 C ATOM 1544 O VAL B 38 16.144 -11.659 2.016 1.00 2.07 O ATOM 1545 CB VAL B 38 17.695 -8.716 1.753 1.00 2.17 C ATOM 1546 CG1 VAL B 38 18.436 -7.585 2.449 1.00 2.33 C ATOM 1547 CG2 VAL B 38 18.223 -8.922 0.352 1.00 2.21 C ATOM 0 H VAL B 38 19.858 -9.672 2.616 1.00 2.07 H new ATOM 0 HA VAL B 38 17.153 -9.870 3.466 1.00 2.08 H new ATOM 0 HB VAL B 38 16.643 -8.445 1.667 1.00 2.17 H new ATOM 0 HG11 VAL B 38 18.364 -6.679 1.848 1.00 2.33 H new ATOM 0 HG12 VAL B 38 17.991 -7.407 3.428 1.00 2.33 H new ATOM 0 HG13 VAL B 38 19.484 -7.858 2.571 1.00 2.33 H new ATOM 0 HG21 VAL B 38 18.143 -7.990 -0.208 1.00 2.21 H new ATOM 0 HG22 VAL B 38 19.268 -9.229 0.398 1.00 2.21 H new ATOM 0 HG23 VAL B 38 17.639 -9.696 -0.147 1.00 2.21 H new ATOM 1557 N GLU B 39 18.085 -11.709 0.872 1.00 2.06 N ATOM 1558 CA GLU B 39 17.719 -12.867 0.071 1.00 2.17 C ATOM 1559 C GLU B 39 17.523 -14.059 0.984 1.00 2.25 C ATOM 1560 O GLU B 39 16.628 -14.869 0.764 1.00 2.39 O ATOM 1561 CB GLU B 39 18.756 -13.166 -1.018 1.00 2.31 C ATOM 1562 CG GLU B 39 18.514 -12.377 -2.298 1.00 2.51 C ATOM 1563 CD GLU B 39 19.320 -12.881 -3.488 1.00 2.75 C ATOM 1564 OE1 GLU B 39 18.834 -13.788 -4.202 1.00 2.96 O ATOM 1565 OE2 GLU B 39 20.430 -12.356 -3.729 1.00 3.00 O ATOM 0 H GLU B 39 19.009 -11.330 0.665 1.00 2.06 H new ATOM 0 HA GLU B 39 16.785 -12.649 -0.447 1.00 2.17 H new ATOM 0 HB2 GLU B 39 19.751 -12.936 -0.638 1.00 2.31 H new ATOM 0 HB3 GLU B 39 18.740 -14.232 -1.245 1.00 2.31 H new ATOM 0 HG2 GLU B 39 17.453 -12.418 -2.545 1.00 2.51 H new ATOM 0 HG3 GLU B 39 18.760 -11.330 -2.121 1.00 2.51 H new ATOM 1572 N ALA B 40 18.354 -14.165 2.021 1.00 2.22 N ATOM 1573 CA ALA B 40 18.195 -15.245 2.979 1.00 2.38 C ATOM 1574 C ALA B 40 16.852 -15.096 3.654 1.00 2.45 C ATOM 1575 O ALA B 40 16.047 -16.018 3.661 1.00 2.65 O ATOM 1576 CB ALA B 40 19.282 -15.243 4.038 1.00 2.37 C ATOM 0 H ALA B 40 19.127 -13.528 2.212 1.00 2.22 H new ATOM 0 HA ALA B 40 18.266 -16.188 2.437 1.00 2.38 H new ATOM 0 HB1 ALA B 40 19.118 -16.069 4.730 1.00 2.37 H new ATOM 0 HB2 ALA B 40 20.255 -15.357 3.561 1.00 2.37 H new ATOM 0 HB3 ALA B 40 19.255 -14.301 4.586 1.00 2.37 H new ATOM 1582 N ALA B 41 16.611 -13.907 4.196 1.00 2.34 N ATOM 1583 CA ALA B 41 15.371 -13.617 4.882 1.00 2.45 C ATOM 1584 C ALA B 41 14.138 -13.961 4.056 1.00 2.47 C ATOM 1585 O ALA B 41 13.260 -14.683 4.522 1.00 2.68 O ATOM 1586 CB ALA B 41 15.345 -12.156 5.249 1.00 2.39 C ATOM 0 H ALA B 41 17.268 -13.127 4.169 1.00 2.34 H new ATOM 0 HA ALA B 41 15.336 -14.244 5.773 1.00 2.45 H new ATOM 0 HB1 ALA B 41 14.414 -11.927 5.767 1.00 2.39 H new ATOM 0 HB2 ALA B 41 16.188 -11.930 5.902 1.00 2.39 H new ATOM 0 HB3 ALA B 41 15.415 -11.552 4.344 1.00 2.39 H new ATOM 1592 N MET B 42 14.079 -13.469 2.827 1.00 2.31 N ATOM 1593 CA MET B 42 12.941 -13.741 1.962 1.00 2.35 C ATOM 1594 C MET B 42 12.859 -15.228 1.644 1.00 2.59 C ATOM 1595 O MET B 42 11.777 -15.770 1.481 1.00 2.74 O ATOM 1596 CB MET B 42 12.973 -12.903 0.681 1.00 2.21 C ATOM 1597 CG MET B 42 14.243 -13.037 -0.122 1.00 2.23 C ATOM 1598 SD MET B 42 14.366 -11.791 -1.411 1.00 2.21 S ATOM 1599 CE MET B 42 14.352 -10.328 -0.389 1.00 2.06 C ATOM 0 H MET B 42 14.801 -12.883 2.408 1.00 2.31 H new ATOM 0 HA MET B 42 12.041 -13.450 2.504 1.00 2.35 H new ATOM 0 HB2 MET B 42 12.129 -13.189 0.053 1.00 2.21 H new ATOM 0 HB3 MET B 42 12.833 -11.854 0.944 1.00 2.21 H new ATOM 0 HG2 MET B 42 15.102 -12.955 0.544 1.00 2.23 H new ATOM 0 HG3 MET B 42 14.283 -14.029 -0.573 1.00 2.23 H new ATOM 0 HE1 MET B 42 14.924 -9.538 -0.876 1.00 2.06 H new ATOM 0 HE2 MET B 42 13.324 -9.995 -0.245 1.00 2.06 H new ATOM 0 HE3 MET B 42 14.799 -10.556 0.579 1.00 2.06 H new ATOM 1609 N ALA B 43 14.015 -15.883 1.573 1.00 2.65 N ATOM 1610 CA ALA B 43 14.070 -17.305 1.244 1.00 2.94 C ATOM 1611 C ALA B 43 13.532 -18.156 2.387 1.00 3.17 C ATOM 1612 O ALA B 43 12.755 -19.087 2.169 1.00 3.43 O ATOM 1613 CB ALA B 43 15.493 -17.721 0.903 1.00 2.97 C ATOM 0 H ALA B 43 14.925 -15.453 1.739 1.00 2.65 H new ATOM 0 HA ALA B 43 13.438 -17.469 0.371 1.00 2.94 H new ATOM 0 HB1 ALA B 43 15.513 -18.784 0.661 1.00 2.97 H new ATOM 0 HB2 ALA B 43 15.844 -17.147 0.046 1.00 2.97 H new ATOM 0 HB3 ALA B 43 16.142 -17.531 1.758 1.00 2.97 H new ATOM 1619 N GLU B 44 13.942 -17.821 3.602 1.00 3.13 N ATOM 1620 CA GLU B 44 13.516 -18.553 4.791 1.00 3.41 C ATOM 1621 C GLU B 44 12.036 -18.364 5.025 1.00 3.51 C ATOM 1622 O GLU B 44 11.311 -19.309 5.338 1.00 3.81 O ATOM 1623 CB GLU B 44 14.276 -18.052 6.003 1.00 3.38 C ATOM 1624 CG GLU B 44 15.769 -17.999 5.802 1.00 3.23 C ATOM 1625 CD GLU B 44 16.431 -19.361 5.934 1.00 3.42 C ATOM 1626 OE1 GLU B 44 16.399 -20.134 4.951 1.00 3.57 O ATOM 1627 OE2 GLU B 44 16.988 -19.662 7.009 1.00 3.67 O ATOM 0 H GLU B 44 14.573 -17.043 3.793 1.00 3.13 H new ATOM 0 HA GLU B 44 13.723 -19.612 4.636 1.00 3.41 H new ATOM 0 HB2 GLU B 44 13.917 -17.055 6.260 1.00 3.38 H new ATOM 0 HB3 GLU B 44 14.055 -18.699 6.852 1.00 3.38 H new ATOM 0 HG2 GLU B 44 15.984 -17.590 4.815 1.00 3.23 H new ATOM 0 HG3 GLU B 44 16.205 -17.316 6.531 1.00 3.23 H new ATOM 1634 N LEU B 45 11.592 -17.126 4.884 1.00 3.28 N ATOM 1635 CA LEU B 45 10.184 -16.802 5.066 1.00 3.36 C ATOM 1636 C LEU B 45 9.402 -17.156 3.806 1.00 3.35 C ATOM 1637 O LEU B 45 8.190 -16.949 3.735 1.00 3.40 O ATOM 1638 CB LEU B 45 10.003 -15.313 5.393 1.00 3.17 C ATOM 1639 CG LEU B 45 11.008 -14.717 6.387 1.00 3.15 C ATOM 1640 CD1 LEU B 45 10.559 -13.327 6.829 1.00 3.11 C ATOM 1641 CD2 LEU B 45 11.200 -15.636 7.586 1.00 3.47 C ATOM 0 H LEU B 45 12.183 -16.330 4.645 1.00 3.28 H new ATOM 0 HA LEU B 45 9.803 -17.386 5.903 1.00 3.36 H new ATOM 0 HB2 LEU B 45 10.062 -14.747 4.463 1.00 3.17 H new ATOM 0 HB3 LEU B 45 8.999 -15.168 5.791 1.00 3.17 H new ATOM 0 HG LEU B 45 11.971 -14.622 5.885 1.00 3.15 H new ATOM 0 HD11 LEU B 45 11.283 -12.918 7.534 1.00 3.11 H new ATOM 0 HD12 LEU B 45 10.490 -12.673 5.959 1.00 3.11 H new ATOM 0 HD13 LEU B 45 9.583 -13.396 7.310 1.00 3.11 H new ATOM 0 HD21 LEU B 45 11.917 -15.190 8.275 1.00 3.47 H new ATOM 0 HD22 LEU B 45 10.246 -15.775 8.095 1.00 3.47 H new ATOM 0 HD23 LEU B 45 11.574 -16.602 7.248 1.00 3.47 H new