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 Single : A 5 THR OG1 : rot -68:sc= 1.17 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 30:sc= 0 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= 0.86 K(o=0.86,f=-6.2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 30:sc= 0.0355 USER MOD Single : A 37 LYS NZ :NH3+ 146:sc= 1.26 (180deg=1.17) USER MOD Single : A 42 MET CE :methyl 152:sc= -2.51 (180deg=-5.38!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 THR OG1 : rot -25:sc= 0.798 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 16 SER OG : rot 180:sc= 0.0291 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= 0.00566 K(o=0.0057,f=-3.4!) USER MOD Single : B 19 THR OG1 : rot -160:sc= -2.82! USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ -114:sc= 1.25 (180deg=-0.661) USER MOD Single : B 42 MET CE :methyl 146:sc= -2.41 (180deg=-6.53!) USER MOD ----------------------------------------------------------------- ATOM 72 N THR A 5 -6.946 1.385 -10.585 1.00 3.14 N ATOM 73 CA THR A 5 -6.890 1.472 -9.147 1.00 3.01 C ATOM 74 C THR A 5 -8.297 1.247 -8.663 1.00 2.85 C ATOM 75 O THR A 5 -9.236 1.285 -9.458 1.00 2.89 O ATOM 76 CB THR A 5 -6.381 2.835 -8.635 1.00 3.29 C ATOM 77 OG1 THR A 5 -7.221 3.893 -9.110 1.00 3.55 O ATOM 78 CG2 THR A 5 -4.946 3.074 -9.066 1.00 3.52 C ATOM 0 HA THR A 5 -6.184 0.733 -8.770 1.00 3.01 H new ATOM 0 HB THR A 5 -6.415 2.820 -7.546 1.00 3.29 H new ATOM 0 HG1 THR A 5 -7.113 3.986 -10.080 1.00 3.55 H new ATOM 0 HG21 THR A 5 -4.610 4.041 -8.693 1.00 3.52 H new ATOM 0 HG22 THR A 5 -4.309 2.288 -8.661 1.00 3.52 H new ATOM 0 HG23 THR A 5 -4.887 3.065 -10.154 1.00 3.52 H new ATOM 86 N LEU A 6 -8.468 0.988 -7.393 1.00 2.72 N ATOM 87 CA LEU A 6 -9.803 0.765 -6.880 1.00 2.62 C ATOM 88 C LEU A 6 -10.692 1.986 -7.107 1.00 2.85 C ATOM 89 O LEU A 6 -11.913 1.874 -7.176 1.00 2.79 O ATOM 90 CB LEU A 6 -9.757 0.364 -5.425 1.00 2.55 C ATOM 91 CG LEU A 6 -10.173 -1.073 -5.170 1.00 2.31 C ATOM 92 CD1 LEU A 6 -10.429 -1.301 -3.693 1.00 2.37 C ATOM 93 CD2 LEU A 6 -11.399 -1.421 -6.001 1.00 2.25 C ATOM 0 H LEU A 6 -7.719 0.926 -6.703 1.00 2.72 H new ATOM 0 HA LEU A 6 -10.248 -0.062 -7.433 1.00 2.62 H new ATOM 0 HB2 LEU A 6 -8.744 0.511 -5.050 1.00 2.55 H new ATOM 0 HB3 LEU A 6 -10.408 1.027 -4.855 1.00 2.55 H new ATOM 0 HG LEU A 6 -9.359 -1.732 -5.472 1.00 2.31 H new ATOM 0 HD11 LEU A 6 -10.726 -2.337 -3.531 1.00 2.37 H new ATOM 0 HD12 LEU A 6 -9.520 -1.092 -3.130 1.00 2.37 H new ATOM 0 HD13 LEU A 6 -11.226 -0.638 -3.355 1.00 2.37 H new ATOM 0 HD21 LEU A 6 -11.687 -2.454 -5.809 1.00 2.25 H new ATOM 0 HD22 LEU A 6 -12.222 -0.759 -5.731 1.00 2.25 H new ATOM 0 HD23 LEU A 6 -11.168 -1.299 -7.059 1.00 2.25 H new ATOM 105 N TYR A 7 -10.056 3.140 -7.242 1.00 3.13 N ATOM 106 CA TYR A 7 -10.761 4.400 -7.493 1.00 3.41 C ATOM 107 C TYR A 7 -11.444 4.362 -8.855 1.00 3.42 C ATOM 108 O TYR A 7 -12.559 4.849 -9.030 1.00 3.50 O ATOM 109 CB TYR A 7 -9.790 5.583 -7.464 1.00 3.74 C ATOM 110 CG TYR A 7 -9.302 5.965 -6.090 1.00 3.86 C ATOM 111 CD1 TYR A 7 -10.167 6.490 -5.137 1.00 3.98 C ATOM 112 CD2 TYR A 7 -7.964 5.815 -5.752 1.00 3.89 C ATOM 113 CE1 TYR A 7 -9.710 6.853 -3.886 1.00 4.16 C ATOM 114 CE2 TYR A 7 -7.500 6.176 -4.504 1.00 4.04 C ATOM 115 CZ TYR A 7 -8.375 6.695 -3.575 1.00 4.20 C ATOM 116 OH TYR A 7 -7.912 7.057 -2.332 1.00 4.39 O ATOM 0 H TYR A 7 -9.042 3.236 -7.182 1.00 3.13 H new ATOM 0 HA TYR A 7 -11.506 4.525 -6.707 1.00 3.41 H new ATOM 0 HB2 TYR A 7 -8.928 5.343 -8.087 1.00 3.74 H new ATOM 0 HB3 TYR A 7 -10.278 6.447 -7.914 1.00 3.74 H new ATOM 0 HD1 TYR A 7 -11.212 6.616 -5.379 1.00 3.98 H new ATOM 0 HD2 TYR A 7 -7.275 5.409 -6.478 1.00 3.89 H new ATOM 0 HE1 TYR A 7 -10.394 7.258 -3.155 1.00 4.16 H new ATOM 0 HE2 TYR A 7 -6.456 6.052 -4.256 1.00 4.04 H new ATOM 0 HH TYR A 7 -6.950 6.880 -2.277 1.00 4.39 H new ATOM 126 N ASP A 8 -10.749 3.749 -9.801 1.00 3.37 N ATOM 127 CA ASP A 8 -11.198 3.626 -11.181 1.00 3.45 C ATOM 128 C ASP A 8 -12.430 2.762 -11.247 1.00 3.21 C ATOM 129 O ASP A 8 -13.405 3.096 -11.921 1.00 3.31 O ATOM 130 CB ASP A 8 -10.085 3.021 -12.041 1.00 3.49 C ATOM 131 CG ASP A 8 -8.907 3.955 -12.218 1.00 3.79 C ATOM 132 OD1 ASP A 8 -9.033 4.948 -12.959 1.00 4.13 O ATOM 133 OD2 ASP A 8 -7.850 3.689 -11.607 1.00 3.72 O ATOM 0 H ASP A 8 -9.842 3.315 -9.629 1.00 3.37 H new ATOM 0 HA ASP A 8 -11.441 4.617 -11.564 1.00 3.45 H new ATOM 0 HB2 ASP A 8 -9.742 2.093 -11.583 1.00 3.49 H new ATOM 0 HB3 ASP A 8 -10.488 2.763 -13.020 1.00 3.49 H new ATOM 138 N VAL A 9 -12.390 1.652 -10.528 1.00 2.91 N ATOM 139 CA VAL A 9 -13.498 0.737 -10.503 1.00 2.70 C ATOM 140 C VAL A 9 -14.658 1.389 -9.787 1.00 2.72 C ATOM 141 O VAL A 9 -15.800 1.285 -10.200 1.00 2.70 O ATOM 142 CB VAL A 9 -13.112 -0.568 -9.798 1.00 2.43 C ATOM 143 CG1 VAL A 9 -14.304 -1.485 -9.682 1.00 2.28 C ATOM 144 CG2 VAL A 9 -11.983 -1.260 -10.540 1.00 2.45 C ATOM 0 H VAL A 9 -11.595 1.370 -9.955 1.00 2.91 H new ATOM 0 HA VAL A 9 -13.783 0.495 -11.527 1.00 2.70 H new ATOM 0 HB VAL A 9 -12.768 -0.323 -8.793 1.00 2.43 H new ATOM 0 HG11 VAL A 9 -14.008 -2.405 -9.179 1.00 2.28 H new ATOM 0 HG12 VAL A 9 -15.087 -0.992 -9.106 1.00 2.28 H new ATOM 0 HG13 VAL A 9 -14.680 -1.721 -10.678 1.00 2.28 H new ATOM 0 HG21 VAL A 9 -11.722 -2.185 -10.025 1.00 2.45 H new ATOM 0 HG22 VAL A 9 -12.302 -1.488 -11.557 1.00 2.45 H new ATOM 0 HG23 VAL A 9 -11.113 -0.604 -10.572 1.00 2.45 H new ATOM 154 N ALA A 10 -14.324 2.081 -8.717 1.00 2.80 N ATOM 155 CA ALA A 10 -15.309 2.778 -7.901 1.00 2.91 C ATOM 156 C ALA A 10 -16.091 3.794 -8.723 1.00 3.14 C ATOM 157 O ALA A 10 -17.323 3.825 -8.682 1.00 3.12 O ATOM 158 CB ALA A 10 -14.600 3.449 -6.739 1.00 3.09 C ATOM 0 H ALA A 10 -13.364 2.179 -8.385 1.00 2.80 H new ATOM 0 HA ALA A 10 -16.030 2.056 -7.518 1.00 2.91 H new ATOM 0 HB1 ALA A 10 -15.329 3.974 -6.122 1.00 3.09 H new ATOM 0 HB2 ALA A 10 -14.092 2.695 -6.138 1.00 3.09 H new ATOM 0 HB3 ALA A 10 -13.869 4.161 -7.121 1.00 3.09 H new ATOM 164 N GLU A 11 -15.377 4.586 -9.503 1.00 3.37 N ATOM 165 CA GLU A 11 -16.013 5.607 -10.328 1.00 3.64 C ATOM 166 C GLU A 11 -16.806 4.942 -11.442 1.00 3.52 C ATOM 167 O GLU A 11 -17.973 5.262 -11.668 1.00 3.57 O ATOM 168 CB GLU A 11 -14.987 6.594 -10.906 1.00 3.95 C ATOM 169 CG GLU A 11 -14.665 7.758 -9.974 1.00 4.31 C ATOM 170 CD GLU A 11 -14.308 9.040 -10.716 1.00 4.89 C ATOM 171 OE1 GLU A 11 -14.380 9.055 -11.963 1.00 5.24 O ATOM 172 OE2 GLU A 11 -13.957 10.045 -10.050 1.00 5.23 O ATOM 0 H GLU A 11 -14.361 4.545 -9.585 1.00 3.37 H new ATOM 0 HA GLU A 11 -16.690 6.182 -9.696 1.00 3.64 H new ATOM 0 HB2 GLU A 11 -14.066 6.056 -11.133 1.00 3.95 H new ATOM 0 HB3 GLU A 11 -15.366 6.989 -11.849 1.00 3.95 H new ATOM 0 HG2 GLU A 11 -15.523 7.946 -9.329 1.00 4.31 H new ATOM 0 HG3 GLU A 11 -13.834 7.477 -9.326 1.00 4.31 H new ATOM 179 N TYR A 12 -16.154 4.017 -12.133 1.00 3.40 N ATOM 180 CA TYR A 12 -16.772 3.279 -13.226 1.00 3.35 C ATOM 181 C TYR A 12 -17.995 2.490 -12.751 1.00 3.08 C ATOM 182 O TYR A 12 -18.915 2.231 -13.531 1.00 3.11 O ATOM 183 CB TYR A 12 -15.746 2.325 -13.841 1.00 3.31 C ATOM 184 CG TYR A 12 -16.222 1.616 -15.085 1.00 3.39 C ATOM 185 CD1 TYR A 12 -16.519 2.339 -16.227 1.00 3.70 C ATOM 186 CD2 TYR A 12 -16.385 0.239 -15.120 1.00 3.19 C ATOM 187 CE1 TYR A 12 -16.963 1.722 -17.369 1.00 3.82 C ATOM 188 CE2 TYR A 12 -16.831 -0.395 -16.264 1.00 3.34 C ATOM 189 CZ TYR A 12 -17.074 0.273 -17.361 1.00 3.64 C ATOM 190 OH TYR A 12 -17.568 -0.276 -18.531 1.00 3.82 O ATOM 0 H TYR A 12 -15.184 3.758 -11.952 1.00 3.40 H new ATOM 0 HA TYR A 12 -17.108 3.997 -13.974 1.00 3.35 H new ATOM 0 HB2 TYR A 12 -14.843 2.887 -14.081 1.00 3.31 H new ATOM 0 HB3 TYR A 12 -15.469 1.579 -13.096 1.00 3.31 H new ATOM 0 HD1 TYR A 12 -16.399 3.412 -16.219 1.00 3.70 H new ATOM 0 HD2 TYR A 12 -16.160 -0.346 -14.241 1.00 3.19 H new ATOM 0 HE1 TYR A 12 -17.222 2.295 -18.247 1.00 3.82 H new ATOM 0 HE2 TYR A 12 -16.982 -1.464 -16.251 1.00 3.34 H new ATOM 0 HH TYR A 12 -17.320 0.293 -19.289 1.00 3.82 H new ATOM 200 N ALA A 13 -18.008 2.112 -11.474 1.00 2.87 N ATOM 201 CA ALA A 13 -19.121 1.347 -10.930 1.00 2.66 C ATOM 202 C ALA A 13 -20.219 2.293 -10.481 1.00 2.78 C ATOM 203 O ALA A 13 -21.401 1.950 -10.474 1.00 2.70 O ATOM 204 CB ALA A 13 -18.653 0.523 -9.755 1.00 2.47 C ATOM 0 H ALA A 13 -17.267 2.322 -10.805 1.00 2.87 H new ATOM 0 HA ALA A 13 -19.508 0.682 -11.702 1.00 2.66 H new ATOM 0 HB1 ALA A 13 -19.491 -0.047 -9.353 1.00 2.47 H new ATOM 0 HB2 ALA A 13 -17.871 -0.163 -10.080 1.00 2.47 H new ATOM 0 HB3 ALA A 13 -18.259 1.183 -8.982 1.00 2.47 H new ATOM 210 N GLY A 14 -19.804 3.490 -10.108 1.00 3.02 N ATOM 211 CA GLY A 14 -20.732 4.501 -9.674 1.00 3.22 C ATOM 212 C GLY A 14 -20.988 4.400 -8.200 1.00 3.21 C ATOM 213 O GLY A 14 -22.107 4.603 -7.725 1.00 3.28 O ATOM 0 H GLY A 14 -18.826 3.780 -10.099 1.00 3.02 H new ATOM 0 HA2 GLY A 14 -20.336 5.489 -9.911 1.00 3.22 H new ATOM 0 HA3 GLY A 14 -21.671 4.395 -10.218 1.00 3.22 H new ATOM 217 N VAL A 15 -19.937 4.049 -7.488 1.00 3.16 N ATOM 218 CA VAL A 15 -19.986 3.870 -6.048 1.00 3.22 C ATOM 219 C VAL A 15 -18.742 4.441 -5.404 1.00 3.39 C ATOM 220 O VAL A 15 -17.679 4.449 -6.021 1.00 3.33 O ATOM 221 CB VAL A 15 -20.103 2.391 -5.689 1.00 2.96 C ATOM 222 CG1 VAL A 15 -21.496 1.887 -5.960 1.00 2.89 C ATOM 223 CG2 VAL A 15 -19.101 1.607 -6.492 1.00 2.72 C ATOM 0 H VAL A 15 -19.017 3.878 -7.894 1.00 3.16 H new ATOM 0 HA VAL A 15 -20.864 4.397 -5.675 1.00 3.22 H new ATOM 0 HB VAL A 15 -19.899 2.264 -4.626 1.00 2.96 H new ATOM 0 HG11 VAL A 15 -21.558 0.831 -5.698 1.00 2.89 H new ATOM 0 HG12 VAL A 15 -22.210 2.452 -5.362 1.00 2.89 H new ATOM 0 HG13 VAL A 15 -21.729 2.012 -7.017 1.00 2.89 H new ATOM 0 HG21 VAL A 15 -19.180 0.550 -6.240 1.00 2.72 H new ATOM 0 HG22 VAL A 15 -19.301 1.742 -7.555 1.00 2.72 H new ATOM 0 HG23 VAL A 15 -18.095 1.960 -6.264 1.00 2.72 H new ATOM 233 N SER A 16 -18.868 4.962 -4.195 1.00 3.63 N ATOM 234 CA SER A 16 -17.714 5.518 -3.514 1.00 3.82 C ATOM 235 C SER A 16 -16.609 4.477 -3.417 1.00 3.58 C ATOM 236 O SER A 16 -16.863 3.274 -3.342 1.00 3.34 O ATOM 237 CB SER A 16 -18.089 6.035 -2.129 1.00 4.13 C ATOM 238 OG SER A 16 -19.242 6.856 -2.195 1.00 4.34 O ATOM 0 H SER A 16 -19.743 5.011 -3.673 1.00 3.63 H new ATOM 0 HA SER A 16 -17.349 6.363 -4.097 1.00 3.82 H new ATOM 0 HB2 SER A 16 -18.273 5.195 -1.459 1.00 4.13 H new ATOM 0 HB3 SER A 16 -17.257 6.601 -1.709 1.00 4.13 H new ATOM 0 HG SER A 16 -19.467 7.176 -1.297 1.00 4.34 H new ATOM 244 N TYR A 17 -15.391 4.960 -3.433 1.00 3.68 N ATOM 245 CA TYR A 17 -14.208 4.121 -3.365 1.00 3.49 C ATOM 246 C TYR A 17 -14.246 3.166 -2.187 1.00 3.42 C ATOM 247 O TYR A 17 -14.071 1.958 -2.341 1.00 3.16 O ATOM 248 CB TYR A 17 -13.002 5.017 -3.213 1.00 3.71 C ATOM 249 CG TYR A 17 -11.764 4.243 -2.930 1.00 3.56 C ATOM 250 CD1 TYR A 17 -11.071 3.594 -3.943 1.00 3.31 C ATOM 251 CD2 TYR A 17 -11.284 4.170 -1.644 1.00 3.69 C ATOM 252 CE1 TYR A 17 -9.925 2.885 -3.661 1.00 3.18 C ATOM 253 CE2 TYR A 17 -10.152 3.474 -1.354 1.00 3.55 C ATOM 254 CZ TYR A 17 -9.471 2.790 -2.450 1.00 3.28 C ATOM 255 OH TYR A 17 -8.330 2.123 -2.064 1.00 3.16 O ATOM 0 H TYR A 17 -15.185 5.957 -3.494 1.00 3.68 H new ATOM 0 HA TYR A 17 -14.163 3.526 -4.277 1.00 3.49 H new ATOM 0 HB2 TYR A 17 -12.865 5.598 -4.125 1.00 3.71 H new ATOM 0 HB3 TYR A 17 -13.178 5.727 -2.405 1.00 3.71 H new ATOM 0 HD1 TYR A 17 -11.433 3.646 -4.959 1.00 3.31 H new ATOM 0 HD2 TYR A 17 -11.815 4.674 -0.850 1.00 3.69 H new ATOM 0 HE1 TYR A 17 -9.393 2.398 -4.465 1.00 3.18 H new ATOM 0 HE2 TYR A 17 -9.769 3.429 -0.345 1.00 3.55 H new ATOM 0 HH TYR A 17 -8.214 2.207 -1.094 1.00 3.16 H new ATOM 265 N GLN A 18 -14.490 3.725 -1.020 1.00 3.70 N ATOM 266 CA GLN A 18 -14.528 2.959 0.211 1.00 3.76 C ATOM 267 C GLN A 18 -15.638 1.903 0.174 1.00 3.60 C ATOM 268 O GLN A 18 -15.570 0.896 0.881 1.00 3.59 O ATOM 269 CB GLN A 18 -14.697 3.901 1.403 1.00 4.16 C ATOM 270 CG GLN A 18 -13.635 4.991 1.489 1.00 4.57 C ATOM 271 CD GLN A 18 -14.059 6.285 0.813 1.00 5.01 C ATOM 272 OE1 GLN A 18 -14.806 6.276 -0.165 1.00 5.50 O ATOM 273 NE2 GLN A 18 -13.582 7.407 1.330 1.00 5.22 N ATOM 0 H GLN A 18 -14.668 4.722 -0.897 1.00 3.70 H new ATOM 0 HA GLN A 18 -13.583 2.427 0.320 1.00 3.76 H new ATOM 0 HB2 GLN A 18 -15.680 4.369 1.346 1.00 4.16 H new ATOM 0 HB3 GLN A 18 -14.676 3.315 2.322 1.00 4.16 H new ATOM 0 HG2 GLN A 18 -13.411 5.191 2.537 1.00 4.57 H new ATOM 0 HG3 GLN A 18 -12.715 4.631 1.029 1.00 4.57 H new ATOM 0 HE21 GLN A 18 -12.965 7.373 2.142 1.00 5.22 H new ATOM 0 HE22 GLN A 18 -13.831 8.305 0.917 1.00 5.22 H new ATOM 282 N THR A 19 -16.642 2.133 -0.665 1.00 3.52 N ATOM 283 CA THR A 19 -17.743 1.208 -0.822 1.00 3.39 C ATOM 284 C THR A 19 -17.253 -0.076 -1.473 1.00 3.07 C ATOM 285 O THR A 19 -17.306 -1.145 -0.866 1.00 3.08 O ATOM 286 CB THR A 19 -18.863 1.833 -1.681 1.00 3.36 C ATOM 287 OG1 THR A 19 -19.072 3.190 -1.274 1.00 3.65 O ATOM 288 CG2 THR A 19 -20.154 1.053 -1.550 1.00 3.31 C ATOM 0 H THR A 19 -16.710 2.965 -1.251 1.00 3.52 H new ATOM 0 HA THR A 19 -18.146 0.983 0.165 1.00 3.39 H new ATOM 0 HB THR A 19 -18.555 1.802 -2.726 1.00 3.36 H new ATOM 0 HG1 THR A 19 -19.782 3.589 -1.819 1.00 3.65 H new ATOM 0 HG21 THR A 19 -20.924 1.517 -2.166 1.00 3.31 H new ATOM 0 HG22 THR A 19 -19.994 0.027 -1.881 1.00 3.31 H new ATOM 0 HG23 THR A 19 -20.475 1.053 -0.508 1.00 3.31 H new ATOM 296 N VAL A 20 -16.727 0.044 -2.689 1.00 2.85 N ATOM 297 CA VAL A 20 -16.236 -1.112 -3.419 1.00 2.58 C ATOM 298 C VAL A 20 -14.987 -1.693 -2.765 1.00 2.57 C ATOM 299 O VAL A 20 -14.727 -2.893 -2.869 1.00 2.46 O ATOM 300 CB VAL A 20 -16.012 -0.802 -4.922 1.00 2.42 C ATOM 301 CG1 VAL A 20 -16.349 0.637 -5.243 1.00 2.61 C ATOM 302 CG2 VAL A 20 -14.607 -1.098 -5.397 1.00 2.31 C ATOM 0 H VAL A 20 -16.632 0.930 -3.185 1.00 2.85 H new ATOM 0 HA VAL A 20 -17.013 -1.875 -3.372 1.00 2.58 H new ATOM 0 HB VAL A 20 -16.688 -1.471 -5.455 1.00 2.42 H new ATOM 0 HG11 VAL A 20 -16.181 0.822 -6.304 1.00 2.61 H new ATOM 0 HG12 VAL A 20 -17.395 0.828 -5.002 1.00 2.61 H new ATOM 0 HG13 VAL A 20 -15.714 1.299 -4.655 1.00 2.61 H new ATOM 0 HG21 VAL A 20 -14.523 -0.858 -6.457 1.00 2.31 H new ATOM 0 HG22 VAL A 20 -13.897 -0.495 -4.831 1.00 2.31 H new ATOM 0 HG23 VAL A 20 -14.387 -2.155 -5.246 1.00 2.31 H new ATOM 312 N SER A 21 -14.218 -0.843 -2.103 1.00 2.73 N ATOM 313 CA SER A 21 -13.020 -1.288 -1.403 1.00 2.74 C ATOM 314 C SER A 21 -13.389 -2.383 -0.405 1.00 2.85 C ATOM 315 O SER A 21 -12.722 -3.415 -0.317 1.00 2.78 O ATOM 316 CB SER A 21 -12.343 -0.112 -0.686 1.00 2.97 C ATOM 317 OG SER A 21 -11.063 -0.467 -0.188 1.00 3.19 O ATOM 0 H SER A 21 -14.400 0.158 -2.035 1.00 2.73 H new ATOM 0 HA SER A 21 -12.314 -1.690 -2.129 1.00 2.74 H new ATOM 0 HB2 SER A 21 -12.245 0.727 -1.375 1.00 2.97 H new ATOM 0 HB3 SER A 21 -12.973 0.224 0.137 1.00 2.97 H new ATOM 0 HG SER A 21 -10.661 0.306 0.261 1.00 3.19 H new ATOM 323 N ARG A 22 -14.478 -2.159 0.327 1.00 3.06 N ATOM 324 CA ARG A 22 -14.957 -3.127 1.299 1.00 3.25 C ATOM 325 C ARG A 22 -15.523 -4.335 0.570 1.00 3.12 C ATOM 326 O ARG A 22 -15.440 -5.453 1.039 1.00 3.25 O ATOM 327 CB ARG A 22 -16.039 -2.507 2.201 1.00 3.54 C ATOM 328 CG ARG A 22 -17.354 -3.285 2.203 1.00 3.73 C ATOM 329 CD ARG A 22 -18.423 -2.614 3.044 1.00 3.83 C ATOM 330 NE ARG A 22 -18.247 -2.879 4.473 1.00 3.92 N ATOM 331 CZ ARG A 22 -18.650 -2.053 5.440 1.00 4.17 C ATOM 332 NH1 ARG A 22 -19.220 -0.893 5.129 1.00 4.31 N ATOM 333 NH2 ARG A 22 -18.479 -2.388 6.715 1.00 4.44 N ATOM 0 H ARG A 22 -15.043 -1.312 0.262 1.00 3.06 H new ATOM 0 HA ARG A 22 -14.122 -3.434 1.929 1.00 3.25 H new ATOM 0 HB2 ARG A 22 -15.660 -2.448 3.221 1.00 3.54 H new ATOM 0 HB3 ARG A 22 -16.232 -1.485 1.873 1.00 3.54 H new ATOM 0 HG2 ARG A 22 -17.713 -3.388 1.179 1.00 3.73 H new ATOM 0 HG3 ARG A 22 -17.177 -4.292 2.582 1.00 3.73 H new ATOM 0 HD2 ARG A 22 -18.399 -1.538 2.870 1.00 3.83 H new ATOM 0 HD3 ARG A 22 -19.405 -2.966 2.729 1.00 3.83 H new ATOM 0 HE ARG A 22 -17.788 -3.748 4.746 1.00 3.92 H new ATOM 0 HH11 ARG A 22 -19.349 -0.634 4.151 1.00 4.31 H new ATOM 0 HH12 ARG A 22 -19.528 -0.262 5.869 1.00 4.31 H new ATOM 0 HH21 ARG A 22 -18.040 -3.277 6.954 1.00 4.44 H new ATOM 0 HH22 ARG A 22 -18.787 -1.756 7.454 1.00 4.44 H new ATOM 347 N VAL A 23 -16.050 -4.084 -0.611 1.00 2.91 N ATOM 348 CA VAL A 23 -16.681 -5.106 -1.421 1.00 2.82 C ATOM 349 C VAL A 23 -15.663 -6.139 -1.866 1.00 2.72 C ATOM 350 O VAL A 23 -15.883 -7.344 -1.752 1.00 2.86 O ATOM 351 CB VAL A 23 -17.361 -4.470 -2.652 1.00 2.62 C ATOM 352 CG1 VAL A 23 -17.884 -5.524 -3.597 1.00 2.56 C ATOM 353 CG2 VAL A 23 -18.482 -3.532 -2.232 1.00 2.76 C ATOM 0 H VAL A 23 -16.052 -3.158 -1.039 1.00 2.91 H new ATOM 0 HA VAL A 23 -17.439 -5.603 -0.816 1.00 2.82 H new ATOM 0 HB VAL A 23 -16.604 -3.889 -3.179 1.00 2.62 H new ATOM 0 HG11 VAL A 23 -18.357 -5.043 -4.453 1.00 2.56 H new ATOM 0 HG12 VAL A 23 -17.058 -6.146 -3.941 1.00 2.56 H new ATOM 0 HG13 VAL A 23 -18.615 -6.145 -3.080 1.00 2.56 H new ATOM 0 HG21 VAL A 23 -18.944 -3.097 -3.118 1.00 2.76 H new ATOM 0 HG22 VAL A 23 -19.231 -4.089 -1.669 1.00 2.76 H new ATOM 0 HG23 VAL A 23 -18.076 -2.736 -1.608 1.00 2.76 H new ATOM 363 N VAL A 24 -14.542 -5.643 -2.355 1.00 2.54 N ATOM 364 CA VAL A 24 -13.467 -6.480 -2.842 1.00 2.46 C ATOM 365 C VAL A 24 -12.839 -7.332 -1.735 1.00 2.68 C ATOM 366 O VAL A 24 -12.220 -8.360 -2.023 1.00 2.72 O ATOM 367 CB VAL A 24 -12.395 -5.604 -3.547 1.00 2.28 C ATOM 368 CG1 VAL A 24 -11.054 -5.616 -2.823 1.00 2.42 C ATOM 369 CG2 VAL A 24 -12.224 -6.029 -4.999 1.00 2.15 C ATOM 0 H VAL A 24 -14.353 -4.643 -2.425 1.00 2.54 H new ATOM 0 HA VAL A 24 -13.892 -7.178 -3.563 1.00 2.46 H new ATOM 0 HB VAL A 24 -12.760 -4.577 -3.517 1.00 2.28 H new ATOM 0 HG11 VAL A 24 -10.345 -4.987 -3.361 1.00 2.42 H new ATOM 0 HG12 VAL A 24 -11.184 -5.233 -1.811 1.00 2.42 H new ATOM 0 HG13 VAL A 24 -10.673 -6.636 -2.779 1.00 2.42 H new ATOM 0 HG21 VAL A 24 -11.469 -5.403 -5.475 1.00 2.15 H new ATOM 0 HG22 VAL A 24 -11.908 -7.072 -5.038 1.00 2.15 H new ATOM 0 HG23 VAL A 24 -13.172 -5.917 -5.525 1.00 2.15 H new ATOM 508 N THR A 34 -24.907 -2.439 -6.042 1.00 2.54 N ATOM 509 CA THR A 34 -23.581 -1.927 -5.790 1.00 2.50 C ATOM 510 C THR A 34 -22.510 -2.994 -6.017 1.00 2.40 C ATOM 511 O THR A 34 -21.496 -2.726 -6.650 1.00 2.28 O ATOM 512 CB THR A 34 -23.461 -1.383 -4.360 1.00 2.73 C ATOM 513 OG1 THR A 34 -24.343 -0.266 -4.191 1.00 2.86 O ATOM 514 CG2 THR A 34 -22.033 -0.962 -4.071 1.00 2.75 C ATOM 0 HA THR A 34 -23.418 -1.115 -6.498 1.00 2.50 H new ATOM 0 HB THR A 34 -23.739 -2.171 -3.661 1.00 2.73 H new ATOM 0 HG1 THR A 34 -25.126 -0.377 -4.769 1.00 2.86 H new ATOM 0 HG21 THR A 34 -21.966 -0.579 -3.053 1.00 2.75 H new ATOM 0 HG22 THR A 34 -21.371 -1.821 -4.180 1.00 2.75 H new ATOM 0 HG23 THR A 34 -21.734 -0.183 -4.772 1.00 2.75 H new ATOM 522 N ARG A 35 -22.765 -4.212 -5.558 1.00 2.51 N ATOM 523 CA ARG A 35 -21.789 -5.285 -5.679 1.00 2.50 C ATOM 524 C ARG A 35 -21.546 -5.642 -7.141 1.00 2.38 C ATOM 525 O ARG A 35 -20.405 -5.785 -7.572 1.00 2.33 O ATOM 526 CB ARG A 35 -22.255 -6.521 -4.911 1.00 2.77 C ATOM 527 CG ARG A 35 -21.177 -7.140 -4.044 1.00 2.94 C ATOM 528 CD ARG A 35 -21.568 -8.532 -3.567 1.00 3.35 C ATOM 529 NE ARG A 35 -22.828 -8.528 -2.820 1.00 3.39 N ATOM 530 CZ ARG A 35 -23.528 -9.629 -2.533 1.00 3.73 C ATOM 531 NH1 ARG A 35 -23.083 -10.825 -2.908 1.00 4.16 N ATOM 532 NH2 ARG A 35 -24.668 -9.535 -1.853 1.00 3.92 N ATOM 0 H ARG A 35 -23.636 -4.480 -5.100 1.00 2.51 H new ATOM 0 HA ARG A 35 -20.851 -4.933 -5.250 1.00 2.50 H new ATOM 0 HB2 ARG A 35 -23.103 -6.249 -4.283 1.00 2.77 H new ATOM 0 HB3 ARG A 35 -22.611 -7.267 -5.622 1.00 2.77 H new ATOM 0 HG2 ARG A 35 -20.245 -7.197 -4.607 1.00 2.94 H new ATOM 0 HG3 ARG A 35 -20.990 -6.499 -3.182 1.00 2.94 H new ATOM 0 HD2 ARG A 35 -21.659 -9.196 -4.426 1.00 3.35 H new ATOM 0 HD3 ARG A 35 -20.775 -8.934 -2.936 1.00 3.35 H new ATOM 0 HE ARG A 35 -23.193 -7.631 -2.500 1.00 3.39 H new ATOM 0 HH11 ARG A 35 -22.203 -10.905 -3.417 1.00 4.16 H new ATOM 0 HH12 ARG A 35 -23.622 -11.662 -2.686 1.00 4.16 H new ATOM 0 HH21 ARG A 35 -25.008 -8.622 -1.551 1.00 3.92 H new ATOM 0 HH22 ARG A 35 -25.202 -10.376 -1.634 1.00 3.92 H new ATOM 546 N GLU A 36 -22.625 -5.772 -7.895 1.00 2.39 N ATOM 547 CA GLU A 36 -22.535 -6.115 -9.306 1.00 2.38 C ATOM 548 C GLU A 36 -21.919 -4.964 -10.086 1.00 2.27 C ATOM 549 O GLU A 36 -21.263 -5.174 -11.102 1.00 2.33 O ATOM 550 CB GLU A 36 -23.904 -6.504 -9.880 1.00 2.47 C ATOM 551 CG GLU A 36 -24.992 -5.472 -9.661 1.00 2.59 C ATOM 552 CD GLU A 36 -25.407 -4.772 -10.943 1.00 3.03 C ATOM 553 OE1 GLU A 36 -24.788 -3.748 -11.297 1.00 3.55 O ATOM 554 OE2 GLU A 36 -26.346 -5.243 -11.615 1.00 3.21 O ATOM 0 H GLU A 36 -23.577 -5.645 -7.553 1.00 2.39 H new ATOM 0 HA GLU A 36 -21.888 -6.987 -9.404 1.00 2.38 H new ATOM 0 HB2 GLU A 36 -23.798 -6.681 -10.950 1.00 2.47 H new ATOM 0 HB3 GLU A 36 -24.218 -7.446 -9.431 1.00 2.47 H new ATOM 0 HG2 GLU A 36 -25.863 -5.957 -9.219 1.00 2.59 H new ATOM 0 HG3 GLU A 36 -24.643 -4.729 -8.944 1.00 2.59 H new ATOM 561 N LYS A 37 -22.120 -3.748 -9.589 1.00 2.21 N ATOM 562 CA LYS A 37 -21.586 -2.561 -10.234 1.00 2.23 C ATOM 563 C LYS A 37 -20.074 -2.531 -10.087 1.00 2.19 C ATOM 564 O LYS A 37 -19.358 -2.295 -11.058 1.00 2.26 O ATOM 565 CB LYS A 37 -22.207 -1.295 -9.634 1.00 2.31 C ATOM 566 CG LYS A 37 -23.225 -0.624 -10.545 1.00 2.44 C ATOM 567 CD LYS A 37 -24.426 -0.102 -9.766 1.00 2.48 C ATOM 568 CE LYS A 37 -24.039 0.967 -8.753 1.00 2.57 C ATOM 569 NZ LYS A 37 -23.833 2.300 -9.391 1.00 2.84 N ATOM 0 H LYS A 37 -22.651 -3.562 -8.738 1.00 2.21 H new ATOM 0 HA LYS A 37 -21.839 -2.594 -11.294 1.00 2.23 H new ATOM 0 HB2 LYS A 37 -22.689 -1.549 -8.690 1.00 2.31 H new ATOM 0 HB3 LYS A 37 -21.413 -0.584 -9.405 1.00 2.31 H new ATOM 0 HG2 LYS A 37 -22.750 0.201 -11.075 1.00 2.44 H new ATOM 0 HG3 LYS A 37 -23.562 -1.335 -11.299 1.00 2.44 H new ATOM 0 HD2 LYS A 37 -25.157 0.309 -10.462 1.00 2.48 H new ATOM 0 HD3 LYS A 37 -24.909 -0.931 -9.249 1.00 2.48 H new ATOM 0 HE2 LYS A 37 -24.818 1.046 -7.995 1.00 2.57 H new ATOM 0 HE3 LYS A 37 -23.125 0.666 -8.241 1.00 2.57 H new ATOM 0 HZ1 LYS A 37 -24.137 3.049 -8.737 1.00 2.84 H new ATOM 0 HZ2 LYS A 37 -22.825 2.425 -9.616 1.00 2.84 H new ATOM 0 HZ3 LYS A 37 -24.393 2.356 -10.266 1.00 2.84 H new ATOM 583 N VAL A 38 -19.589 -2.791 -8.874 1.00 2.13 N ATOM 584 CA VAL A 38 -18.148 -2.803 -8.624 1.00 2.10 C ATOM 585 C VAL A 38 -17.519 -3.957 -9.400 1.00 2.10 C ATOM 586 O VAL A 38 -16.479 -3.803 -10.039 1.00 2.14 O ATOM 587 CB VAL A 38 -17.811 -2.920 -7.121 1.00 2.11 C ATOM 588 CG1 VAL A 38 -18.732 -2.038 -6.302 1.00 2.26 C ATOM 589 CG2 VAL A 38 -17.864 -4.349 -6.630 1.00 2.12 C ATOM 0 H VAL A 38 -20.165 -2.994 -8.057 1.00 2.13 H new ATOM 0 HA VAL A 38 -17.738 -1.852 -8.963 1.00 2.10 H new ATOM 0 HB VAL A 38 -16.784 -2.577 -6.992 1.00 2.11 H new ATOM 0 HG11 VAL A 38 -18.481 -2.132 -5.245 1.00 2.26 H new ATOM 0 HG12 VAL A 38 -18.613 -1.000 -6.612 1.00 2.26 H new ATOM 0 HG13 VAL A 38 -19.766 -2.347 -6.459 1.00 2.26 H new ATOM 0 HG21 VAL A 38 -17.620 -4.378 -5.568 1.00 2.12 H new ATOM 0 HG22 VAL A 38 -18.866 -4.749 -6.783 1.00 2.12 H new ATOM 0 HG23 VAL A 38 -17.144 -4.951 -7.185 1.00 2.12 H new ATOM 599 N GLU A 39 -18.183 -5.107 -9.340 1.00 2.16 N ATOM 600 CA GLU A 39 -17.748 -6.306 -10.041 1.00 2.30 C ATOM 601 C GLU A 39 -17.698 -6.044 -11.532 1.00 2.42 C ATOM 602 O GLU A 39 -16.751 -6.446 -12.204 1.00 2.56 O ATOM 603 CB GLU A 39 -18.678 -7.482 -9.746 1.00 2.46 C ATOM 604 CG GLU A 39 -18.130 -8.442 -8.704 1.00 2.53 C ATOM 605 CD GLU A 39 -18.580 -9.871 -8.940 1.00 2.89 C ATOM 606 OE1 GLU A 39 -18.013 -10.546 -9.826 1.00 3.12 O ATOM 607 OE2 GLU A 39 -19.509 -10.328 -8.236 1.00 3.27 O ATOM 0 H GLU A 39 -19.040 -5.232 -8.802 1.00 2.16 H new ATOM 0 HA GLU A 39 -16.750 -6.565 -9.688 1.00 2.30 H new ATOM 0 HB2 GLU A 39 -19.639 -7.098 -9.405 1.00 2.46 H new ATOM 0 HB3 GLU A 39 -18.863 -8.029 -10.670 1.00 2.46 H new ATOM 0 HG2 GLU A 39 -17.041 -8.401 -8.713 1.00 2.53 H new ATOM 0 HG3 GLU A 39 -18.453 -8.121 -7.713 1.00 2.53 H new ATOM 614 N ALA A 40 -18.724 -5.376 -12.051 1.00 2.42 N ATOM 615 CA ALA A 40 -18.758 -5.043 -13.463 1.00 2.60 C ATOM 616 C ALA A 40 -17.607 -4.120 -13.782 1.00 2.65 C ATOM 617 O ALA A 40 -16.814 -4.389 -14.677 1.00 2.86 O ATOM 618 CB ALA A 40 -20.061 -4.370 -13.854 1.00 2.61 C ATOM 0 H ALA A 40 -19.534 -5.059 -11.517 1.00 2.42 H new ATOM 0 HA ALA A 40 -18.676 -5.971 -14.030 1.00 2.60 H new ATOM 0 HB1 ALA A 40 -20.045 -4.137 -14.919 1.00 2.61 H new ATOM 0 HB2 ALA A 40 -20.894 -5.039 -13.641 1.00 2.61 H new ATOM 0 HB3 ALA A 40 -20.180 -3.449 -13.283 1.00 2.61 H new ATOM 624 N ALA A 41 -17.508 -3.040 -13.016 1.00 2.52 N ATOM 625 CA ALA A 41 -16.462 -2.062 -13.216 1.00 2.63 C ATOM 626 C ALA A 41 -15.067 -2.670 -13.240 1.00 2.66 C ATOM 627 O ALA A 41 -14.309 -2.451 -14.184 1.00 2.89 O ATOM 628 CB ALA A 41 -16.548 -1.024 -12.131 1.00 2.54 C ATOM 0 H ALA A 41 -18.145 -2.825 -12.249 1.00 2.52 H new ATOM 0 HA ALA A 41 -16.620 -1.614 -14.197 1.00 2.63 H new ATOM 0 HB1 ALA A 41 -15.762 -0.282 -12.274 1.00 2.54 H new ATOM 0 HB2 ALA A 41 -17.521 -0.535 -12.172 1.00 2.54 H new ATOM 0 HB3 ALA A 41 -16.423 -1.502 -11.159 1.00 2.54 H new ATOM 634 N MET A 42 -14.736 -3.454 -12.226 1.00 2.47 N ATOM 635 CA MET A 42 -13.424 -4.076 -12.157 1.00 2.49 C ATOM 636 C MET A 42 -13.242 -5.061 -13.306 1.00 2.73 C ATOM 637 O MET A 42 -12.138 -5.245 -13.801 1.00 2.88 O ATOM 638 CB MET A 42 -13.173 -4.753 -10.806 1.00 2.29 C ATOM 639 CG MET A 42 -14.153 -5.849 -10.466 1.00 2.26 C ATOM 640 SD MET A 42 -14.020 -6.375 -8.750 1.00 2.15 S ATOM 641 CE MET A 42 -14.242 -4.795 -7.945 1.00 2.02 C ATOM 0 H MET A 42 -15.353 -3.674 -11.444 1.00 2.47 H new ATOM 0 HA MET A 42 -12.681 -3.284 -12.254 1.00 2.49 H new ATOM 0 HB2 MET A 42 -12.166 -5.169 -10.804 1.00 2.29 H new ATOM 0 HB3 MET A 42 -13.207 -3.996 -10.022 1.00 2.29 H new ATOM 0 HG2 MET A 42 -15.167 -5.499 -10.659 1.00 2.26 H new ATOM 0 HG3 MET A 42 -13.980 -6.704 -11.120 1.00 2.26 H new ATOM 0 HE1 MET A 42 -14.677 -4.948 -6.957 1.00 2.02 H new ATOM 0 HE2 MET A 42 -13.276 -4.300 -7.843 1.00 2.02 H new ATOM 0 HE3 MET A 42 -14.908 -4.173 -8.543 1.00 2.02 H new ATOM 651 N ALA A 43 -14.336 -5.682 -13.735 1.00 2.80 N ATOM 652 CA ALA A 43 -14.275 -6.671 -14.806 1.00 3.09 C ATOM 653 C ALA A 43 -13.983 -6.010 -16.146 1.00 3.36 C ATOM 654 O ALA A 43 -13.153 -6.491 -16.920 1.00 3.60 O ATOM 655 CB ALA A 43 -15.569 -7.466 -14.883 1.00 3.15 C ATOM 0 H ALA A 43 -15.271 -5.519 -13.360 1.00 2.80 H new ATOM 0 HA ALA A 43 -13.459 -7.357 -14.577 1.00 3.09 H new ATOM 0 HB1 ALA A 43 -15.500 -8.197 -15.689 1.00 3.15 H new ATOM 0 HB2 ALA A 43 -15.735 -7.983 -13.938 1.00 3.15 H new ATOM 0 HB3 ALA A 43 -16.401 -6.789 -15.078 1.00 3.15 H new ATOM 661 N GLU A 44 -14.657 -4.896 -16.400 1.00 3.34 N ATOM 662 CA GLU A 44 -14.497 -4.163 -17.653 1.00 3.63 C ATOM 663 C GLU A 44 -13.130 -3.523 -17.742 1.00 3.73 C ATOM 664 O GLU A 44 -12.464 -3.584 -18.778 1.00 4.02 O ATOM 665 CB GLU A 44 -15.544 -3.070 -17.745 1.00 3.61 C ATOM 666 CG GLU A 44 -16.954 -3.553 -17.504 1.00 3.44 C ATOM 667 CD GLU A 44 -17.512 -4.334 -18.683 1.00 3.74 C ATOM 668 OE1 GLU A 44 -17.361 -3.866 -19.837 1.00 3.86 O ATOM 669 OE2 GLU A 44 -18.101 -5.414 -18.466 1.00 4.09 O ATOM 0 H GLU A 44 -15.324 -4.477 -15.752 1.00 3.34 H new ATOM 0 HA GLU A 44 -14.612 -4.874 -18.471 1.00 3.63 H new ATOM 0 HB2 GLU A 44 -15.308 -2.292 -17.019 1.00 3.61 H new ATOM 0 HB3 GLU A 44 -15.491 -2.612 -18.732 1.00 3.61 H new ATOM 0 HG2 GLU A 44 -16.972 -4.183 -16.614 1.00 3.44 H new ATOM 0 HG3 GLU A 44 -17.598 -2.697 -17.302 1.00 3.44 H new ATOM 676 N LEU A 45 -12.719 -2.904 -16.649 1.00 3.50 N ATOM 677 CA LEU A 45 -11.424 -2.244 -16.597 1.00 3.59 C ATOM 678 C LEU A 45 -10.317 -3.261 -16.344 1.00 3.56 C ATOM 679 O LEU A 45 -9.143 -2.901 -16.268 1.00 3.63 O ATOM 680 CB LEU A 45 -11.403 -1.178 -15.495 1.00 3.41 C ATOM 681 CG LEU A 45 -12.671 -0.328 -15.362 1.00 3.38 C ATOM 682 CD1 LEU A 45 -12.440 0.824 -14.393 1.00 3.36 C ATOM 683 CD2 LEU A 45 -13.130 0.184 -16.721 1.00 3.71 C ATOM 0 H LEU A 45 -13.261 -2.844 -15.787 1.00 3.50 H new ATOM 0 HA LEU A 45 -11.253 -1.761 -17.559 1.00 3.59 H new ATOM 0 HB2 LEU A 45 -11.219 -1.673 -14.541 1.00 3.41 H new ATOM 0 HB3 LEU A 45 -10.560 -0.512 -15.677 1.00 3.41 H new ATOM 0 HG LEU A 45 -13.465 -0.958 -14.961 1.00 3.38 H new ATOM 0 HD11 LEU A 45 -13.350 1.418 -14.310 1.00 3.36 H new ATOM 0 HD12 LEU A 45 -12.175 0.427 -13.413 1.00 3.36 H new ATOM 0 HD13 LEU A 45 -11.629 1.452 -14.762 1.00 3.36 H new ATOM 0 HD21 LEU A 45 -14.032 0.784 -16.598 1.00 3.71 H new ATOM 0 HD22 LEU A 45 -12.344 0.796 -17.164 1.00 3.71 H new ATOM 0 HD23 LEU A 45 -13.343 -0.661 -17.375 1.00 3.71 H new ATOM 695 N ASN A 46 -10.715 -4.532 -16.216 1.00 3.49 N ATOM 696 CA ASN A 46 -9.798 -5.652 -15.953 1.00 3.50 C ATOM 697 C ASN A 46 -9.295 -5.599 -14.511 1.00 3.19 C ATOM 698 O ASN A 46 -9.272 -6.614 -13.815 1.00 3.08 O ATOM 699 CB ASN A 46 -8.623 -5.660 -16.935 1.00 3.80 C ATOM 700 CG ASN A 46 -7.810 -6.942 -16.862 1.00 3.84 C ATOM 701 OD1 ASN A 46 -8.161 -7.942 -17.489 1.00 4.18 O ATOM 702 ND2 ASN A 46 -6.716 -6.923 -16.112 1.00 3.81 N ATOM 0 H ASN A 46 -11.691 -4.817 -16.292 1.00 3.49 H new ATOM 0 HA ASN A 46 -10.353 -6.579 -16.098 1.00 3.50 H new ATOM 0 HB2 ASN A 46 -9.001 -5.531 -17.949 1.00 3.80 H new ATOM 0 HB3 ASN A 46 -7.974 -4.810 -16.726 1.00 3.80 H new ATOM 0 HD21 ASN A 46 -6.133 -7.757 -16.040 1.00 3.81 H new ATOM 0 HD22 ASN A 46 -6.458 -6.075 -15.607 1.00 3.81 H new ATOM 1030 N THR B 5 6.136 -9.327 5.601 1.00 2.76 N ATOM 1031 CA THR B 5 6.203 -8.100 4.848 1.00 2.63 C ATOM 1032 C THR B 5 7.657 -7.874 4.564 1.00 2.52 C ATOM 1033 O THR B 5 8.506 -8.437 5.256 1.00 2.57 O ATOM 1034 CB THR B 5 5.642 -6.878 5.610 1.00 2.87 C ATOM 1035 OG1 THR B 5 6.250 -6.768 6.901 1.00 3.17 O ATOM 1036 CG2 THR B 5 4.136 -6.955 5.756 1.00 2.93 C ATOM 0 HA THR B 5 5.593 -8.198 3.950 1.00 2.63 H new ATOM 0 HB THR B 5 5.881 -5.991 5.024 1.00 2.87 H new ATOM 0 HG1 THR B 5 6.568 -7.649 7.189 1.00 3.17 H new ATOM 0 HG21 THR B 5 3.778 -6.079 6.297 1.00 2.93 H new ATOM 0 HG22 THR B 5 3.676 -6.985 4.768 1.00 2.93 H new ATOM 0 HG23 THR B 5 3.870 -7.856 6.308 1.00 2.93 H new ATOM 1044 N LEU B 6 7.981 -7.099 3.560 1.00 2.40 N ATOM 1045 CA LEU B 6 9.384 -6.860 3.285 1.00 2.35 C ATOM 1046 C LEU B 6 10.030 -6.187 4.493 1.00 2.56 C ATOM 1047 O LEU B 6 11.238 -6.253 4.691 1.00 2.56 O ATOM 1048 CB LEU B 6 9.563 -6.055 2.018 1.00 2.33 C ATOM 1049 CG LEU B 6 10.268 -6.793 0.898 1.00 2.21 C ATOM 1050 CD1 LEU B 6 10.591 -5.847 -0.242 1.00 2.35 C ATOM 1051 CD2 LEU B 6 11.523 -7.476 1.415 1.00 2.15 C ATOM 0 H LEU B 6 7.322 -6.634 2.936 1.00 2.40 H new ATOM 0 HA LEU B 6 9.886 -7.813 3.116 1.00 2.35 H new ATOM 0 HB2 LEU B 6 8.583 -5.735 1.664 1.00 2.33 H new ATOM 0 HB3 LEU B 6 10.127 -5.152 2.253 1.00 2.33 H new ATOM 0 HG LEU B 6 9.599 -7.564 0.516 1.00 2.21 H new ATOM 0 HD11 LEU B 6 11.097 -6.395 -1.037 1.00 2.35 H new ATOM 0 HD12 LEU B 6 9.668 -5.415 -0.629 1.00 2.35 H new ATOM 0 HD13 LEU B 6 11.241 -5.050 0.120 1.00 2.35 H new ATOM 0 HD21 LEU B 6 12.015 -8.001 0.596 1.00 2.15 H new ATOM 0 HD22 LEU B 6 12.201 -6.728 1.827 1.00 2.15 H new ATOM 0 HD23 LEU B 6 11.254 -8.190 2.194 1.00 2.15 H new ATOM 1063 N TYR B 7 9.181 -5.555 5.298 1.00 2.79 N ATOM 1064 CA TYR B 7 9.584 -4.890 6.535 1.00 3.08 C ATOM 1065 C TYR B 7 10.154 -5.927 7.503 1.00 3.12 C ATOM 1066 O TYR B 7 11.147 -5.693 8.187 1.00 3.25 O ATOM 1067 CB TYR B 7 8.361 -4.264 7.208 1.00 3.33 C ATOM 1068 CG TYR B 7 8.138 -2.777 7.032 1.00 3.53 C ATOM 1069 CD1 TYR B 7 9.230 -1.976 6.731 1.00 3.59 C ATOM 1070 CD2 TYR B 7 6.882 -2.179 7.108 1.00 3.70 C ATOM 1071 CE1 TYR B 7 9.085 -0.625 6.503 1.00 3.84 C ATOM 1072 CE2 TYR B 7 6.733 -0.817 6.892 1.00 3.93 C ATOM 1073 CZ TYR B 7 7.626 -0.052 6.831 1.00 4.03 C ATOM 1074 OH TYR B 7 7.692 1.295 6.341 1.00 4.28 O ATOM 0 H TYR B 7 8.181 -5.489 5.108 1.00 2.79 H new ATOM 0 HA TYR B 7 10.324 -4.127 6.296 1.00 3.08 H new ATOM 0 HB2 TYR B 7 7.475 -4.781 6.839 1.00 3.33 H new ATOM 0 HB3 TYR B 7 8.427 -4.468 8.277 1.00 3.33 H new ATOM 0 HD1 TYR B 7 10.213 -2.420 6.674 1.00 3.59 H new ATOM 0 HD2 TYR B 7 6.016 -2.782 7.337 1.00 3.70 H new ATOM 0 HE1 TYR B 7 9.888 -0.004 6.134 1.00 3.84 H new ATOM 0 HE2 TYR B 7 5.731 -0.433 6.772 1.00 3.93 H new ATOM 0 HH TYR B 7 6.833 1.742 6.495 1.00 4.28 H new ATOM 1084 N ASP B 8 9.499 -7.086 7.515 1.00 3.03 N ATOM 1085 CA ASP B 8 9.851 -8.211 8.383 1.00 3.14 C ATOM 1086 C ASP B 8 11.226 -8.716 8.007 1.00 2.96 C ATOM 1087 O ASP B 8 12.073 -8.967 8.865 1.00 3.10 O ATOM 1088 CB ASP B 8 8.816 -9.346 8.238 1.00 3.13 C ATOM 1089 CG ASP B 8 7.498 -9.088 8.951 1.00 3.41 C ATOM 1090 OD1 ASP B 8 7.498 -9.051 10.199 1.00 3.77 O ATOM 1091 OD2 ASP B 8 6.471 -8.876 8.279 1.00 3.29 O ATOM 0 H ASP B 8 8.697 -7.274 6.914 1.00 3.03 H new ATOM 0 HA ASP B 8 9.853 -7.877 9.421 1.00 3.14 H new ATOM 0 HB2 ASP B 8 8.617 -9.507 7.178 1.00 3.13 H new ATOM 0 HB3 ASP B 8 9.250 -10.268 8.624 1.00 3.13 H new ATOM 1096 N VAL B 9 11.443 -8.836 6.707 1.00 2.68 N ATOM 1097 CA VAL B 9 12.703 -9.298 6.181 1.00 2.52 C ATOM 1098 C VAL B 9 13.763 -8.255 6.459 1.00 2.58 C ATOM 1099 O VAL B 9 14.867 -8.561 6.887 1.00 2.60 O ATOM 1100 CB VAL B 9 12.587 -9.556 4.671 1.00 2.28 C ATOM 1101 CG1 VAL B 9 13.927 -9.902 4.070 1.00 2.17 C ATOM 1102 CG2 VAL B 9 11.583 -10.662 4.399 1.00 2.28 C ATOM 0 H VAL B 9 10.748 -8.615 5.994 1.00 2.68 H new ATOM 0 HA VAL B 9 12.980 -10.235 6.664 1.00 2.52 H new ATOM 0 HB VAL B 9 12.236 -8.638 4.200 1.00 2.28 H new ATOM 0 HG11 VAL B 9 13.811 -10.079 3.001 1.00 2.17 H new ATOM 0 HG12 VAL B 9 14.621 -9.076 4.228 1.00 2.17 H new ATOM 0 HG13 VAL B 9 14.318 -10.801 4.546 1.00 2.17 H new ATOM 0 HG21 VAL B 9 11.512 -10.833 3.325 1.00 2.28 H new ATOM 0 HG22 VAL B 9 11.909 -11.578 4.892 1.00 2.28 H new ATOM 0 HG23 VAL B 9 10.606 -10.370 4.785 1.00 2.28 H new ATOM 1112 N ALA B 10 13.378 -7.017 6.230 1.00 2.67 N ATOM 1113 CA ALA B 10 14.246 -5.868 6.442 1.00 2.84 C ATOM 1114 C ALA B 10 14.744 -5.800 7.884 1.00 3.09 C ATOM 1115 O ALA B 10 15.937 -5.621 8.133 1.00 3.13 O ATOM 1116 CB ALA B 10 13.484 -4.612 6.072 1.00 2.99 C ATOM 0 H ALA B 10 12.448 -6.774 5.889 1.00 2.67 H new ATOM 0 HA ALA B 10 15.128 -5.964 5.809 1.00 2.84 H new ATOM 0 HB1 ALA B 10 14.121 -3.741 6.226 1.00 2.99 H new ATOM 0 HB2 ALA B 10 13.185 -4.663 5.025 1.00 2.99 H new ATOM 0 HB3 ALA B 10 12.596 -4.527 6.699 1.00 2.99 H new ATOM 1122 N GLU B 11 13.831 -5.979 8.825 1.00 3.27 N ATOM 1123 CA GLU B 11 14.167 -5.934 10.243 1.00 3.56 C ATOM 1124 C GLU B 11 15.109 -7.075 10.574 1.00 3.49 C ATOM 1125 O GLU B 11 16.152 -6.884 11.201 1.00 3.61 O ATOM 1126 CB GLU B 11 12.906 -6.029 11.113 1.00 3.79 C ATOM 1127 CG GLU B 11 12.678 -4.824 12.016 1.00 4.20 C ATOM 1128 CD GLU B 11 13.444 -4.906 13.324 1.00 4.71 C ATOM 1129 OE1 GLU B 11 12.948 -5.557 14.267 1.00 4.85 O ATOM 1130 OE2 GLU B 11 14.559 -4.350 13.407 1.00 5.21 O ATOM 0 H GLU B 11 12.845 -6.158 8.633 1.00 3.27 H new ATOM 0 HA GLU B 11 14.652 -4.981 10.454 1.00 3.56 H new ATOM 0 HB2 GLU B 11 12.039 -6.152 10.464 1.00 3.79 H new ATOM 0 HB3 GLU B 11 12.971 -6.925 11.731 1.00 3.79 H new ATOM 0 HG2 GLU B 11 12.973 -3.919 11.485 1.00 4.20 H new ATOM 0 HG3 GLU B 11 11.613 -4.735 12.231 1.00 4.20 H new ATOM 1137 N TYR B 12 14.715 -8.263 10.144 1.00 3.31 N ATOM 1138 CA TYR B 12 15.489 -9.471 10.359 1.00 3.27 C ATOM 1139 C TYR B 12 16.860 -9.380 9.697 1.00 3.07 C ATOM 1140 O TYR B 12 17.828 -9.975 10.177 1.00 3.12 O ATOM 1141 CB TYR B 12 14.723 -10.656 9.786 1.00 3.15 C ATOM 1142 CG TYR B 12 15.354 -11.997 10.051 1.00 3.21 C ATOM 1143 CD1 TYR B 12 15.566 -12.459 11.343 1.00 3.52 C ATOM 1144 CD2 TYR B 12 15.720 -12.810 8.996 1.00 3.01 C ATOM 1145 CE1 TYR B 12 16.129 -13.703 11.568 1.00 3.62 C ATOM 1146 CE2 TYR B 12 16.280 -14.044 9.205 1.00 3.12 C ATOM 1147 CZ TYR B 12 16.484 -14.494 10.493 1.00 3.42 C ATOM 1148 OH TYR B 12 17.046 -15.731 10.712 1.00 3.57 O ATOM 0 H TYR B 12 13.845 -8.415 9.634 1.00 3.31 H new ATOM 0 HA TYR B 12 15.643 -9.599 11.431 1.00 3.27 H new ATOM 0 HB2 TYR B 12 13.715 -10.655 10.201 1.00 3.15 H new ATOM 0 HB3 TYR B 12 14.625 -10.522 8.709 1.00 3.15 H new ATOM 0 HD1 TYR B 12 15.288 -11.840 12.183 1.00 3.52 H new ATOM 0 HD2 TYR B 12 15.562 -12.466 7.984 1.00 3.01 H new ATOM 0 HE1 TYR B 12 16.290 -14.053 12.577 1.00 3.62 H new ATOM 0 HE2 TYR B 12 16.560 -14.661 8.364 1.00 3.12 H new ATOM 0 HH TYR B 12 16.709 -16.098 11.556 1.00 3.57 H new ATOM 1158 N ALA B 13 16.947 -8.625 8.606 1.00 2.88 N ATOM 1159 CA ALA B 13 18.201 -8.487 7.892 1.00 2.72 C ATOM 1160 C ALA B 13 19.047 -7.421 8.571 1.00 2.94 C ATOM 1161 O ALA B 13 20.279 -7.432 8.498 1.00 2.90 O ATOM 1162 CB ALA B 13 17.935 -8.115 6.449 1.00 2.52 C ATOM 0 H ALA B 13 16.167 -8.105 8.203 1.00 2.88 H new ATOM 0 HA ALA B 13 18.740 -9.434 7.908 1.00 2.72 H new ATOM 0 HB1 ALA B 13 18.882 -8.013 5.919 1.00 2.52 H new ATOM 0 HB2 ALA B 13 17.337 -8.894 5.977 1.00 2.52 H new ATOM 0 HB3 ALA B 13 17.394 -7.169 6.411 1.00 2.52 H new ATOM 1168 N GLY B 14 18.356 -6.497 9.225 1.00 3.18 N ATOM 1169 CA GLY B 14 19.004 -5.428 9.948 1.00 3.46 C ATOM 1170 C GLY B 14 19.280 -4.260 9.051 1.00 3.50 C ATOM 1171 O GLY B 14 20.272 -3.546 9.210 1.00 3.66 O ATOM 0 H GLY B 14 17.337 -6.473 9.265 1.00 3.18 H new ATOM 0 HA2 GLY B 14 18.373 -5.112 10.778 1.00 3.46 H new ATOM 0 HA3 GLY B 14 19.938 -5.789 10.378 1.00 3.46 H new ATOM 1175 N VAL B 15 18.397 -4.096 8.087 1.00 3.38 N ATOM 1176 CA VAL B 15 18.521 -3.059 7.083 1.00 3.45 C ATOM 1177 C VAL B 15 17.159 -2.458 6.746 1.00 3.53 C ATOM 1178 O VAL B 15 16.150 -3.142 6.845 1.00 3.41 O ATOM 1179 CB VAL B 15 19.169 -3.637 5.822 1.00 3.19 C ATOM 1180 CG1 VAL B 15 20.648 -3.858 6.037 1.00 3.17 C ATOM 1181 CG2 VAL B 15 18.504 -4.939 5.466 1.00 2.87 C ATOM 0 H VAL B 15 17.569 -4.681 7.978 1.00 3.38 H new ATOM 0 HA VAL B 15 19.151 -2.264 7.482 1.00 3.45 H new ATOM 0 HB VAL B 15 19.042 -2.927 5.005 1.00 3.19 H new ATOM 0 HG11 VAL B 15 21.090 -4.269 5.129 1.00 3.17 H new ATOM 0 HG12 VAL B 15 21.127 -2.908 6.276 1.00 3.17 H new ATOM 0 HG13 VAL B 15 20.796 -4.556 6.861 1.00 3.17 H new ATOM 0 HG21 VAL B 15 18.966 -5.350 4.568 1.00 2.87 H new ATOM 0 HG22 VAL B 15 18.620 -5.644 6.289 1.00 2.87 H new ATOM 0 HG23 VAL B 15 17.443 -4.768 5.282 1.00 2.87 H new ATOM 1191 N SER B 16 17.142 -1.176 6.396 1.00 3.79 N ATOM 1192 CA SER B 16 15.907 -0.476 6.031 1.00 3.90 C ATOM 1193 C SER B 16 15.093 -1.287 5.034 1.00 3.60 C ATOM 1194 O SER B 16 15.638 -2.105 4.274 1.00 3.35 O ATOM 1195 CB SER B 16 16.262 0.896 5.456 1.00 4.20 C ATOM 1196 OG SER B 16 17.248 1.540 6.249 1.00 4.38 O ATOM 0 H SER B 16 17.977 -0.592 6.356 1.00 3.79 H new ATOM 0 HA SER B 16 15.292 -0.347 6.922 1.00 3.90 H new ATOM 0 HB2 SER B 16 16.628 0.783 4.435 1.00 4.20 H new ATOM 0 HB3 SER B 16 15.367 1.516 5.407 1.00 4.20 H new ATOM 0 HG SER B 16 17.460 2.415 5.861 1.00 4.38 H new ATOM 1202 N TYR B 17 13.789 -1.029 5.036 1.00 3.62 N ATOM 1203 CA TYR B 17 12.870 -1.730 4.168 1.00 3.38 C ATOM 1204 C TYR B 17 13.347 -1.650 2.727 1.00 3.32 C ATOM 1205 O TYR B 17 13.709 -2.659 2.152 1.00 3.10 O ATOM 1206 CB TYR B 17 11.538 -1.034 4.312 1.00 3.51 C ATOM 1207 CG TYR B 17 10.478 -1.580 3.437 1.00 3.30 C ATOM 1208 CD1 TYR B 17 9.960 -2.850 3.616 1.00 3.03 C ATOM 1209 CD2 TYR B 17 10.025 -0.820 2.402 1.00 3.42 C ATOM 1210 CE1 TYR B 17 9.002 -3.333 2.762 1.00 2.87 C ATOM 1211 CE2 TYR B 17 9.076 -1.279 1.557 1.00 3.26 C ATOM 1212 CZ TYR B 17 8.470 -2.650 1.913 1.00 2.94 C ATOM 1213 OH TYR B 17 7.632 -3.005 0.847 1.00 2.85 O ATOM 0 H TYR B 17 13.349 -0.332 5.637 1.00 3.62 H new ATOM 0 HA TYR B 17 12.799 -2.785 4.434 1.00 3.38 H new ATOM 0 HB2 TYR B 17 11.212 -1.106 5.350 1.00 3.51 H new ATOM 0 HB3 TYR B 17 11.667 0.026 4.092 1.00 3.51 H new ATOM 0 HD1 TYR B 17 10.312 -3.464 4.432 1.00 3.03 H new ATOM 0 HD2 TYR B 17 10.432 0.169 2.254 1.00 3.42 H new ATOM 0 HE1 TYR B 17 8.708 -4.369 2.850 1.00 2.87 H new ATOM 0 HE2 TYR B 17 8.762 -0.721 0.687 1.00 3.26 H new ATOM 0 HH TYR B 17 7.376 -2.200 0.350 1.00 2.85 H new ATOM 1223 N GLN B 18 13.444 -0.418 2.205 1.00 3.58 N ATOM 1224 CA GLN B 18 13.940 -0.204 0.837 1.00 3.64 C ATOM 1225 C GLN B 18 15.430 -0.471 0.745 1.00 3.63 C ATOM 1226 O GLN B 18 16.021 -0.209 -0.292 1.00 3.77 O ATOM 1227 CB GLN B 18 13.543 1.116 0.180 1.00 3.96 C ATOM 1228 CG GLN B 18 12.978 2.119 1.127 1.00 4.35 C ATOM 1229 CD GLN B 18 14.016 2.548 2.109 1.00 4.69 C ATOM 1230 OE1 GLN B 18 13.964 2.164 3.268 1.00 5.01 O ATOM 1231 NE2 GLN B 18 14.984 3.290 1.654 1.00 5.04 N ATOM 0 H GLN B 18 13.189 0.436 2.702 1.00 3.58 H new ATOM 0 HA GLN B 18 13.413 -0.946 0.237 1.00 3.64 H new ATOM 0 HB2 GLN B 18 14.418 1.545 -0.308 1.00 3.96 H new ATOM 0 HB3 GLN B 18 12.809 0.915 -0.601 1.00 3.96 H new ATOM 0 HG2 GLN B 18 12.611 2.984 0.575 1.00 4.35 H new ATOM 0 HG3 GLN B 18 12.125 1.691 1.653 1.00 4.35 H new ATOM 0 HE21 GLN B 18 14.984 3.586 0.678 1.00 5.04 H new ATOM 0 HE22 GLN B 18 15.742 3.575 2.274 1.00 5.04 H new ATOM 1240 N THR B 19 16.065 -0.911 1.818 1.00 3.52 N ATOM 1241 CA THR B 19 17.434 -1.285 1.708 1.00 3.47 C ATOM 1242 C THR B 19 17.384 -2.566 0.911 1.00 3.18 C ATOM 1243 O THR B 19 18.036 -2.734 -0.113 1.00 3.24 O ATOM 1244 CB THR B 19 18.133 -1.531 3.074 1.00 3.43 C ATOM 1245 OG1 THR B 19 18.202 -0.325 3.846 1.00 3.78 O ATOM 1246 CG2 THR B 19 19.510 -2.057 2.848 1.00 3.34 C ATOM 0 H THR B 19 15.654 -1.011 2.746 1.00 3.52 H new ATOM 0 HA THR B 19 18.018 -0.487 1.249 1.00 3.47 H new ATOM 0 HB THR B 19 17.544 -2.261 3.629 1.00 3.43 H new ATOM 0 HG1 THR B 19 18.899 -0.414 4.530 1.00 3.78 H new ATOM 0 HG21 THR B 19 19.996 -2.228 3.808 1.00 3.34 H new ATOM 0 HG22 THR B 19 19.455 -2.996 2.297 1.00 3.34 H new ATOM 0 HG23 THR B 19 20.087 -1.332 2.273 1.00 3.34 H new ATOM 1254 N VAL B 20 16.616 -3.470 1.474 1.00 2.93 N ATOM 1255 CA VAL B 20 16.330 -4.758 0.882 1.00 2.66 C ATOM 1256 C VAL B 20 15.239 -4.690 -0.195 1.00 2.69 C ATOM 1257 O VAL B 20 15.254 -5.468 -1.126 1.00 2.62 O ATOM 1258 CB VAL B 20 15.974 -5.809 1.962 1.00 2.44 C ATOM 1259 CG1 VAL B 20 16.101 -5.224 3.349 1.00 2.57 C ATOM 1260 CG2 VAL B 20 14.584 -6.375 1.783 1.00 2.33 C ATOM 0 H VAL B 20 16.162 -3.328 2.376 1.00 2.93 H new ATOM 0 HA VAL B 20 17.246 -5.074 0.383 1.00 2.66 H new ATOM 0 HB VAL B 20 16.688 -6.624 1.842 1.00 2.44 H new ATOM 0 HG11 VAL B 20 15.845 -5.983 4.089 1.00 2.57 H new ATOM 0 HG12 VAL B 20 17.126 -4.890 3.511 1.00 2.57 H new ATOM 0 HG13 VAL B 20 15.423 -4.376 3.450 1.00 2.57 H new ATOM 0 HG21 VAL B 20 14.385 -7.107 2.566 1.00 2.33 H new ATOM 0 HG22 VAL B 20 13.852 -5.569 1.845 1.00 2.33 H new ATOM 0 HG23 VAL B 20 14.510 -6.858 0.808 1.00 2.33 H new ATOM 1270 N SER B 21 14.269 -3.793 -0.035 1.00 2.83 N ATOM 1271 CA SER B 21 13.173 -3.682 -0.997 1.00 2.87 C ATOM 1272 C SER B 21 13.707 -3.281 -2.351 1.00 3.09 C ATOM 1273 O SER B 21 13.225 -3.745 -3.384 1.00 3.10 O ATOM 1274 CB SER B 21 12.082 -2.699 -0.541 1.00 3.04 C ATOM 1275 OG SER B 21 11.068 -2.571 -1.524 1.00 3.23 O ATOM 0 H SER B 21 14.218 -3.137 0.744 1.00 2.83 H new ATOM 0 HA SER B 21 12.706 -4.665 -1.065 1.00 2.87 H new ATOM 0 HB2 SER B 21 11.644 -3.045 0.395 1.00 3.04 H new ATOM 0 HB3 SER B 21 12.526 -1.724 -0.343 1.00 3.04 H new ATOM 0 HG SER B 21 10.385 -1.942 -1.210 1.00 3.23 H new ATOM 1281 N ARG B 22 14.731 -2.439 -2.349 1.00 3.32 N ATOM 1282 CA ARG B 22 15.352 -2.018 -3.578 1.00 3.59 C ATOM 1283 C ARG B 22 16.042 -3.241 -4.164 1.00 3.45 C ATOM 1284 O ARG B 22 16.143 -3.399 -5.379 1.00 3.63 O ATOM 1285 CB ARG B 22 16.330 -0.872 -3.291 1.00 3.86 C ATOM 1286 CG ARG B 22 17.620 -0.943 -4.077 1.00 4.07 C ATOM 1287 CD ARG B 22 18.805 -0.548 -3.220 1.00 4.20 C ATOM 1288 NE ARG B 22 18.789 0.872 -2.856 1.00 4.64 N ATOM 1289 CZ ARG B 22 19.764 1.482 -2.175 1.00 4.85 C ATOM 1290 NH1 ARG B 22 20.836 0.800 -1.781 1.00 4.70 N ATOM 1291 NH2 ARG B 22 19.667 2.779 -1.891 1.00 5.40 N ATOM 0 H ARG B 22 15.143 -2.039 -1.506 1.00 3.32 H new ATOM 0 HA ARG B 22 14.628 -1.635 -4.297 1.00 3.59 H new ATOM 0 HB2 ARG B 22 15.836 0.075 -3.510 1.00 3.86 H new ATOM 0 HB3 ARG B 22 16.566 -0.869 -2.227 1.00 3.86 H new ATOM 0 HG2 ARG B 22 17.763 -1.955 -4.456 1.00 4.07 H new ATOM 0 HG3 ARG B 22 17.558 -0.284 -4.943 1.00 4.07 H new ATOM 0 HD2 ARG B 22 18.810 -1.152 -2.313 1.00 4.20 H new ATOM 0 HD3 ARG B 22 19.727 -0.771 -3.756 1.00 4.20 H new ATOM 0 HE ARG B 22 17.983 1.429 -3.140 1.00 4.64 H new ATOM 0 HH11 ARG B 22 20.917 -0.193 -1.998 1.00 4.70 H new ATOM 0 HH12 ARG B 22 21.577 1.270 -1.262 1.00 4.70 H new ATOM 0 HH21 ARG B 22 18.849 3.307 -2.193 1.00 5.40 H new ATOM 0 HH22 ARG B 22 20.411 3.244 -1.371 1.00 5.40 H new ATOM 1305 N VAL B 23 16.476 -4.111 -3.254 1.00 3.17 N ATOM 1306 CA VAL B 23 17.133 -5.357 -3.586 1.00 3.05 C ATOM 1307 C VAL B 23 16.141 -6.279 -4.294 1.00 3.00 C ATOM 1308 O VAL B 23 16.394 -6.784 -5.386 1.00 3.18 O ATOM 1309 CB VAL B 23 17.659 -6.031 -2.295 1.00 2.77 C ATOM 1310 CG1 VAL B 23 18.280 -7.382 -2.564 1.00 2.66 C ATOM 1311 CG2 VAL B 23 18.649 -5.126 -1.580 1.00 2.87 C ATOM 0 H VAL B 23 16.375 -3.960 -2.250 1.00 3.17 H new ATOM 0 HA VAL B 23 17.976 -5.161 -4.248 1.00 3.05 H new ATOM 0 HB VAL B 23 16.796 -6.194 -1.649 1.00 2.77 H new ATOM 0 HG11 VAL B 23 18.633 -7.813 -1.627 1.00 2.66 H new ATOM 0 HG12 VAL B 23 17.536 -8.042 -3.009 1.00 2.66 H new ATOM 0 HG13 VAL B 23 19.119 -7.267 -3.250 1.00 2.66 H new ATOM 0 HG21 VAL B 23 19.006 -5.619 -0.676 1.00 2.87 H new ATOM 0 HG22 VAL B 23 19.493 -4.919 -2.238 1.00 2.87 H new ATOM 0 HG23 VAL B 23 18.159 -4.190 -1.313 1.00 2.87 H new ATOM 1321 N VAL B 24 14.992 -6.447 -3.654 1.00 2.81 N ATOM 1322 CA VAL B 24 13.906 -7.278 -4.160 1.00 2.77 C ATOM 1323 C VAL B 24 13.285 -6.708 -5.440 1.00 3.04 C ATOM 1324 O VAL B 24 12.687 -7.440 -6.231 1.00 3.12 O ATOM 1325 CB VAL B 24 12.819 -7.465 -3.062 1.00 2.53 C ATOM 1326 CG1 VAL B 24 11.445 -7.756 -3.652 1.00 2.54 C ATOM 1327 CG2 VAL B 24 13.223 -8.578 -2.106 1.00 2.32 C ATOM 0 H VAL B 24 14.784 -6.005 -2.758 1.00 2.81 H new ATOM 0 HA VAL B 24 14.330 -8.249 -4.417 1.00 2.77 H new ATOM 0 HB VAL B 24 12.746 -6.524 -2.517 1.00 2.53 H new ATOM 0 HG11 VAL B 24 10.721 -7.878 -2.846 1.00 2.54 H new ATOM 0 HG12 VAL B 24 11.140 -6.927 -4.290 1.00 2.54 H new ATOM 0 HG13 VAL B 24 11.489 -8.671 -4.242 1.00 2.54 H new ATOM 0 HG21 VAL B 24 12.454 -8.699 -1.343 1.00 2.32 H new ATOM 0 HG22 VAL B 24 13.335 -9.510 -2.659 1.00 2.32 H new ATOM 0 HG23 VAL B 24 14.170 -8.323 -1.630 1.00 2.32 H new ATOM 1480 N ARG B 35 22.873 -7.791 0.346 1.00 2.50 N ATOM 1481 CA ARG B 35 22.051 -8.621 -0.516 1.00 2.44 C ATOM 1482 C ARG B 35 21.834 -10.004 0.093 1.00 2.25 C ATOM 1483 O ARG B 35 20.708 -10.478 0.191 1.00 2.20 O ATOM 1484 CB ARG B 35 22.706 -8.752 -1.886 1.00 2.67 C ATOM 1485 CG ARG B 35 21.722 -8.740 -3.036 1.00 2.98 C ATOM 1486 CD ARG B 35 22.442 -8.781 -4.374 1.00 3.19 C ATOM 1487 NE ARG B 35 23.502 -7.774 -4.449 1.00 3.34 N ATOM 1488 CZ ARG B 35 23.482 -6.730 -5.276 1.00 3.60 C ATOM 1489 NH1 ARG B 35 22.486 -6.581 -6.143 1.00 3.81 N ATOM 1490 NH2 ARG B 35 24.466 -5.840 -5.243 1.00 3.91 N ATOM 0 HA ARG B 35 21.078 -8.142 -0.623 1.00 2.44 H new ATOM 0 HB2 ARG B 35 23.416 -7.936 -2.019 1.00 2.67 H new ATOM 0 HB3 ARG B 35 23.277 -9.680 -1.918 1.00 2.67 H new ATOM 0 HG2 ARG B 35 21.052 -9.596 -2.954 1.00 2.98 H new ATOM 0 HG3 ARG B 35 21.103 -7.844 -2.980 1.00 2.98 H new ATOM 0 HD2 ARG B 35 22.870 -9.772 -4.527 1.00 3.19 H new ATOM 0 HD3 ARG B 35 21.725 -8.616 -5.178 1.00 3.19 H new ATOM 0 HE ARG B 35 24.306 -7.878 -3.830 1.00 3.34 H new ATOM 0 HH11 ARG B 35 21.733 -7.268 -6.177 1.00 3.81 H new ATOM 0 HH12 ARG B 35 22.475 -5.780 -6.774 1.00 3.81 H new ATOM 0 HH21 ARG B 35 25.237 -5.956 -4.585 1.00 3.91 H new ATOM 0 HH22 ARG B 35 24.452 -5.040 -5.876 1.00 3.91 H new ATOM 1504 N GLU B 36 22.919 -10.625 0.525 1.00 2.21 N ATOM 1505 CA GLU B 36 22.854 -11.957 1.110 1.00 2.13 C ATOM 1506 C GLU B 36 22.126 -11.927 2.449 1.00 2.03 C ATOM 1507 O GLU B 36 21.504 -12.906 2.844 1.00 2.06 O ATOM 1508 CB GLU B 36 24.250 -12.568 1.260 1.00 2.14 C ATOM 1509 CG GLU B 36 25.293 -11.607 1.796 1.00 2.40 C ATOM 1510 CD GLU B 36 26.658 -12.253 1.940 1.00 2.61 C ATOM 1511 OE1 GLU B 36 26.731 -13.396 2.438 1.00 2.82 O ATOM 1512 OE2 GLU B 36 27.664 -11.623 1.545 1.00 2.94 O ATOM 0 H GLU B 36 23.858 -10.228 0.482 1.00 2.21 H new ATOM 0 HA GLU B 36 22.287 -12.591 0.429 1.00 2.13 H new ATOM 0 HB2 GLU B 36 24.188 -13.429 1.926 1.00 2.14 H new ATOM 0 HB3 GLU B 36 24.578 -12.939 0.289 1.00 2.14 H new ATOM 0 HG2 GLU B 36 25.369 -10.749 1.128 1.00 2.40 H new ATOM 0 HG3 GLU B 36 24.970 -11.228 2.766 1.00 2.40 H new ATOM 1519 N LYS B 37 22.211 -10.801 3.149 1.00 2.03 N ATOM 1520 CA LYS B 37 21.545 -10.656 4.436 1.00 2.06 C ATOM 1521 C LYS B 37 20.040 -10.536 4.240 1.00 2.07 C ATOM 1522 O LYS B 37 19.264 -11.150 4.968 1.00 2.14 O ATOM 1523 CB LYS B 37 22.079 -9.445 5.194 1.00 2.19 C ATOM 1524 CG LYS B 37 23.262 -9.774 6.091 1.00 2.53 C ATOM 1525 CD LYS B 37 24.169 -8.571 6.294 1.00 2.52 C ATOM 1526 CE LYS B 37 23.435 -7.409 6.937 1.00 2.77 C ATOM 1527 NZ LYS B 37 22.946 -7.743 8.304 1.00 3.10 N ATOM 0 H LYS B 37 22.733 -9.978 2.847 1.00 2.03 H new ATOM 0 HA LYS B 37 21.754 -11.546 5.029 1.00 2.06 H new ATOM 0 HB2 LYS B 37 22.376 -8.678 4.478 1.00 2.19 H new ATOM 0 HB3 LYS B 37 21.278 -9.022 5.800 1.00 2.19 H new ATOM 0 HG2 LYS B 37 22.899 -10.123 7.058 1.00 2.53 H new ATOM 0 HG3 LYS B 37 23.835 -10.591 5.652 1.00 2.53 H new ATOM 0 HD2 LYS B 37 25.015 -8.856 6.919 1.00 2.52 H new ATOM 0 HD3 LYS B 37 24.575 -8.256 5.333 1.00 2.52 H new ATOM 0 HE2 LYS B 37 24.099 -6.546 6.991 1.00 2.77 H new ATOM 0 HE3 LYS B 37 22.590 -7.123 6.310 1.00 2.77 H new ATOM 0 HZ1 LYS B 37 21.906 -7.750 8.309 1.00 3.10 H new ATOM 0 HZ2 LYS B 37 23.300 -8.681 8.579 1.00 3.10 H new ATOM 0 HZ3 LYS B 37 23.291 -7.031 8.979 1.00 3.10 H new ATOM 1541 N VAL B 38 19.632 -9.748 3.251 1.00 2.07 N ATOM 1542 CA VAL B 38 18.211 -9.581 2.961 1.00 2.08 C ATOM 1543 C VAL B 38 17.659 -10.892 2.405 1.00 2.04 C ATOM 1544 O VAL B 38 16.580 -11.339 2.794 1.00 2.07 O ATOM 1545 CB VAL B 38 17.949 -8.414 1.991 1.00 2.17 C ATOM 1546 CG1 VAL B 38 18.803 -7.212 2.366 1.00 2.33 C ATOM 1547 CG2 VAL B 38 18.179 -8.811 0.549 1.00 2.21 C ATOM 0 H VAL B 38 20.257 -9.220 2.642 1.00 2.07 H new ATOM 0 HA VAL B 38 17.696 -9.330 3.888 1.00 2.08 H new ATOM 0 HB VAL B 38 16.898 -8.140 2.082 1.00 2.17 H new ATOM 0 HG11 VAL B 38 18.607 -6.395 1.671 1.00 2.33 H new ATOM 0 HG12 VAL B 38 18.558 -6.893 3.379 1.00 2.33 H new ATOM 0 HG13 VAL B 38 19.857 -7.485 2.317 1.00 2.33 H new ATOM 0 HG21 VAL B 38 17.982 -7.957 -0.099 1.00 2.21 H new ATOM 0 HG22 VAL B 38 19.212 -9.134 0.421 1.00 2.21 H new ATOM 0 HG23 VAL B 38 17.508 -9.629 0.285 1.00 2.21 H new ATOM 1557 N GLU B 39 18.428 -11.500 1.502 1.00 2.06 N ATOM 1558 CA GLU B 39 18.072 -12.782 0.909 1.00 2.17 C ATOM 1559 C GLU B 39 17.948 -13.819 2.010 1.00 2.25 C ATOM 1560 O GLU B 39 17.037 -14.642 2.000 1.00 2.39 O ATOM 1561 CB GLU B 39 19.119 -13.220 -0.122 1.00 2.31 C ATOM 1562 CG GLU B 39 18.710 -12.933 -1.560 1.00 2.51 C ATOM 1563 CD GLU B 39 19.779 -13.310 -2.572 1.00 2.75 C ATOM 1564 OE1 GLU B 39 20.199 -14.493 -2.583 1.00 2.96 O ATOM 1565 OE2 GLU B 39 20.209 -12.425 -3.348 1.00 3.00 O ATOM 0 H GLU B 39 19.311 -11.117 1.164 1.00 2.06 H new ATOM 0 HA GLU B 39 17.119 -12.682 0.390 1.00 2.17 H new ATOM 0 HB2 GLU B 39 20.060 -12.712 0.088 1.00 2.31 H new ATOM 0 HB3 GLU B 39 19.302 -14.289 -0.011 1.00 2.31 H new ATOM 0 HG2 GLU B 39 17.795 -13.480 -1.787 1.00 2.51 H new ATOM 0 HG3 GLU B 39 18.481 -11.872 -1.661 1.00 2.51 H new ATOM 1572 N ALA B 40 18.868 -13.768 2.968 1.00 2.22 N ATOM 1573 CA ALA B 40 18.826 -14.677 4.099 1.00 2.38 C ATOM 1574 C ALA B 40 17.557 -14.431 4.883 1.00 2.45 C ATOM 1575 O ALA B 40 16.777 -15.344 5.113 1.00 2.65 O ATOM 1576 CB ALA B 40 20.026 -14.488 5.012 1.00 2.37 C ATOM 0 H ALA B 40 19.646 -13.109 2.981 1.00 2.22 H new ATOM 0 HA ALA B 40 18.849 -15.698 3.719 1.00 2.38 H new ATOM 0 HB1 ALA B 40 19.961 -15.185 5.848 1.00 2.37 H new ATOM 0 HB2 ALA B 40 20.942 -14.677 4.452 1.00 2.37 H new ATOM 0 HB3 ALA B 40 20.037 -13.466 5.392 1.00 2.37 H new ATOM 1582 N ALA B 41 17.343 -13.175 5.260 1.00 2.34 N ATOM 1583 CA ALA B 41 16.173 -12.793 6.026 1.00 2.45 C ATOM 1584 C ALA B 41 14.867 -13.284 5.407 1.00 2.47 C ATOM 1585 O ALA B 41 14.062 -13.922 6.083 1.00 2.68 O ATOM 1586 CB ALA B 41 16.146 -11.294 6.166 1.00 2.39 C ATOM 0 H ALA B 41 17.973 -12.402 5.043 1.00 2.34 H new ATOM 0 HA ALA B 41 16.250 -13.270 7.003 1.00 2.45 H new ATOM 0 HB1 ALA B 41 15.269 -10.998 6.741 1.00 2.39 H new ATOM 0 HB2 ALA B 41 17.047 -10.960 6.681 1.00 2.39 H new ATOM 0 HB3 ALA B 41 16.103 -10.837 5.177 1.00 2.39 H new ATOM 1592 N MET B 42 14.666 -13.011 4.125 1.00 2.31 N ATOM 1593 CA MET B 42 13.452 -13.443 3.444 1.00 2.35 C ATOM 1594 C MET B 42 13.393 -14.963 3.386 1.00 2.59 C ATOM 1595 O MET B 42 12.321 -15.547 3.430 1.00 2.74 O ATOM 1596 CB MET B 42 13.334 -12.840 2.042 1.00 2.21 C ATOM 1597 CG MET B 42 14.521 -13.103 1.149 1.00 2.23 C ATOM 1598 SD MET B 42 14.497 -12.077 -0.325 1.00 2.21 S ATOM 1599 CE MET B 42 14.539 -10.473 0.456 1.00 2.06 C ATOM 0 H MET B 42 15.323 -12.496 3.538 1.00 2.31 H new ATOM 0 HA MET B 42 12.602 -13.078 4.021 1.00 2.35 H new ATOM 0 HB2 MET B 42 12.439 -13.237 1.563 1.00 2.21 H new ATOM 0 HB3 MET B 42 13.195 -11.763 2.133 1.00 2.21 H new ATOM 0 HG2 MET B 42 15.440 -12.918 1.704 1.00 2.23 H new ATOM 0 HG3 MET B 42 14.530 -14.154 0.859 1.00 2.23 H new ATOM 0 HE1 MET B 42 15.107 -9.781 -0.165 1.00 2.06 H new ATOM 0 HE2 MET B 42 13.522 -10.101 0.577 1.00 2.06 H new ATOM 0 HE3 MET B 42 15.014 -10.557 1.434 1.00 2.06 H new ATOM 1609 N ALA B 43 14.556 -15.596 3.294 1.00 2.65 N ATOM 1610 CA ALA B 43 14.627 -17.050 3.196 1.00 2.94 C ATOM 1611 C ALA B 43 14.259 -17.713 4.518 1.00 3.17 C ATOM 1612 O ALA B 43 13.518 -18.695 4.546 1.00 3.43 O ATOM 1613 CB ALA B 43 16.013 -17.493 2.750 1.00 2.97 C ATOM 0 H ALA B 43 15.462 -15.127 3.285 1.00 2.65 H new ATOM 0 HA ALA B 43 13.902 -17.366 2.446 1.00 2.94 H new ATOM 0 HB1 ALA B 43 16.044 -18.581 2.684 1.00 2.97 H new ATOM 0 HB2 ALA B 43 16.236 -17.063 1.773 1.00 2.97 H new ATOM 0 HB3 ALA B 43 16.754 -17.153 3.473 1.00 2.97 H new ATOM 1619 N GLU B 44 14.782 -17.166 5.605 1.00 3.13 N ATOM 1620 CA GLU B 44 14.529 -17.708 6.933 1.00 3.41 C ATOM 1621 C GLU B 44 13.089 -17.489 7.348 1.00 3.51 C ATOM 1622 O GLU B 44 12.429 -18.394 7.855 1.00 3.81 O ATOM 1623 CB GLU B 44 15.440 -17.038 7.950 1.00 3.38 C ATOM 1624 CG GLU B 44 16.887 -16.948 7.520 1.00 3.23 C ATOM 1625 CD GLU B 44 17.663 -18.232 7.754 1.00 3.42 C ATOM 1626 OE1 GLU B 44 17.302 -19.274 7.165 1.00 3.57 O ATOM 1627 OE2 GLU B 44 18.643 -18.203 8.535 1.00 3.67 O ATOM 0 H GLU B 44 15.386 -16.344 5.594 1.00 3.13 H new ATOM 0 HA GLU B 44 14.728 -18.779 6.898 1.00 3.41 H new ATOM 0 HB2 GLU B 44 15.068 -16.033 8.148 1.00 3.38 H new ATOM 0 HB3 GLU B 44 15.385 -17.589 8.889 1.00 3.38 H new ATOM 0 HG2 GLU B 44 16.929 -16.694 6.461 1.00 3.23 H new ATOM 0 HG3 GLU B 44 17.370 -16.135 8.062 1.00 3.23 H new ATOM 1634 N LEU B 45 12.605 -16.279 7.126 1.00 3.28 N ATOM 1635 CA LEU B 45 11.231 -15.948 7.483 1.00 3.36 C ATOM 1636 C LEU B 45 10.263 -16.437 6.421 1.00 3.35 C ATOM 1637 O LEU B 45 9.053 -16.260 6.561 1.00 3.40 O ATOM 1638 CB LEU B 45 11.057 -14.435 7.647 1.00 3.17 C ATOM 1639 CG LEU B 45 12.202 -13.698 8.340 1.00 3.15 C ATOM 1640 CD1 LEU B 45 11.810 -12.252 8.599 1.00 3.11 C ATOM 1641 CD2 LEU B 45 12.599 -14.404 9.628 1.00 3.47 C ATOM 0 H LEU B 45 13.134 -15.515 6.705 1.00 3.28 H new ATOM 0 HA LEU B 45 11.015 -16.444 8.429 1.00 3.36 H new ATOM 0 HB2 LEU B 45 10.915 -13.997 6.659 1.00 3.17 H new ATOM 0 HB3 LEU B 45 10.142 -14.254 8.210 1.00 3.17 H new ATOM 0 HG LEU B 45 13.072 -13.703 7.683 1.00 3.15 H new ATOM 0 HD11 LEU B 45 12.633 -11.735 9.093 1.00 3.11 H new ATOM 0 HD12 LEU B 45 11.589 -11.760 7.652 1.00 3.11 H new ATOM 0 HD13 LEU B 45 10.927 -12.223 9.238 1.00 3.11 H new ATOM 0 HD21 LEU B 45 13.416 -13.861 10.104 1.00 3.47 H new ATOM 0 HD22 LEU B 45 11.744 -14.437 10.303 1.00 3.47 H new ATOM 0 HD23 LEU B 45 12.922 -15.420 9.401 1.00 3.47 H new