USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 269 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 35 MET CE :methyl -163:sc= 0 (180deg=-0.303) USER MOD Single : A 6 HIS : no HD1:sc= -0.0415 X(o=-0.042,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.00368 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0537 X(o=-0.054,f=-0.022) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -4.23 K(o=-4.2,f=-3.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= -0.0328 (180deg=-0.251) USER MOD ----------------------------------------------------------------- ATOM 38 N PHE A 4 -1.707 0.676 -3.697 1.00 64.15 N ATOM 39 CA PHE A 4 -3.073 0.480 -3.227 1.00 21.30 C ATOM 40 C PHE A 4 -3.427 -1.004 -3.190 1.00 15.14 C ATOM 41 O PHE A 4 -4.186 -1.450 -2.329 1.00 31.22 O ATOM 42 CB PHE A 4 -4.057 1.228 -4.128 1.00 14.43 C ATOM 43 CG PHE A 4 -4.145 2.698 -3.829 1.00 20.20 C ATOM 44 CD1 PHE A 4 -3.986 3.634 -4.838 1.00 10.02 C ATOM 45 CD2 PHE A 4 -4.386 3.143 -2.539 1.00 63.30 C ATOM 46 CE1 PHE A 4 -4.066 4.987 -4.566 1.00 74.04 C ATOM 47 CE2 PHE A 4 -4.468 4.494 -2.262 1.00 4.23 C ATOM 48 CZ PHE A 4 -4.306 5.417 -3.276 1.00 55.53 C ATOM 0 HA PHE A 4 -3.143 0.878 -2.215 1.00 21.30 H new ATOM 0 HB2 PHE A 4 -3.759 1.094 -5.168 1.00 14.43 H new ATOM 0 HB3 PHE A 4 -5.046 0.783 -4.020 1.00 14.43 H new ATOM 0 HD1 PHE A 4 -3.797 3.303 -5.849 1.00 10.02 H new ATOM 0 HD2 PHE A 4 -4.511 2.426 -1.741 1.00 63.30 H new ATOM 0 HE1 PHE A 4 -3.941 5.707 -5.361 1.00 74.04 H new ATOM 0 HE2 PHE A 4 -4.659 4.828 -1.253 1.00 4.23 H new ATOM 0 HZ PHE A 4 -4.367 6.474 -3.061 1.00 55.53 H new ATOM 58 N ARG A 5 -2.873 -1.762 -4.130 1.00 34.53 N ATOM 59 CA ARG A 5 -3.132 -3.195 -4.206 1.00 60.21 C ATOM 60 C ARG A 5 -2.046 -3.983 -3.479 1.00 33.21 C ATOM 61 O ARG A 5 -1.835 -5.165 -3.751 1.00 63.40 O ATOM 62 CB ARG A 5 -3.211 -3.644 -5.667 1.00 1.44 C ATOM 63 CG ARG A 5 -4.605 -3.536 -6.262 1.00 72.32 C ATOM 64 CD ARG A 5 -5.113 -2.103 -6.237 1.00 20.23 C ATOM 65 NE ARG A 5 -6.030 -1.867 -5.125 1.00 73.21 N ATOM 66 CZ ARG A 5 -7.311 -2.218 -5.142 1.00 73.12 C ATOM 67 NH1 ARG A 5 -7.824 -2.818 -6.208 1.00 4.01 N ATOM 68 NH2 ARG A 5 -8.083 -1.970 -4.092 1.00 3.55 N ATOM 0 H ARG A 5 -2.242 -1.408 -4.849 1.00 34.53 H new ATOM 0 HA ARG A 5 -4.087 -3.392 -3.720 1.00 60.21 H new ATOM 0 HB2 ARG A 5 -2.524 -3.042 -6.261 1.00 1.44 H new ATOM 0 HB3 ARG A 5 -2.873 -4.678 -5.739 1.00 1.44 H new ATOM 0 HG2 ARG A 5 -4.592 -3.901 -7.289 1.00 72.32 H new ATOM 0 HG3 ARG A 5 -5.290 -4.176 -5.705 1.00 72.32 H new ATOM 0 HD2 ARG A 5 -4.267 -1.420 -6.161 1.00 20.23 H new ATOM 0 HD3 ARG A 5 -5.618 -1.881 -7.177 1.00 20.23 H new ATOM 0 HE ARG A 5 -5.667 -1.408 -4.290 1.00 73.21 H new ATOM 0 HH11 ARG A 5 -7.234 -3.011 -7.018 1.00 4.01 H new ATOM 0 HH12 ARG A 5 -8.808 -3.086 -6.218 1.00 4.01 H new ATOM 0 HH21 ARG A 5 -7.693 -1.509 -3.270 1.00 3.55 H new ATOM 0 HH22 ARG A 5 -9.066 -2.240 -4.107 1.00 3.55 H new ATOM 82 N HIS A 6 -1.360 -3.320 -2.553 1.00 54.03 N ATOM 83 CA HIS A 6 -0.296 -3.958 -1.787 1.00 33.24 C ATOM 84 C HIS A 6 -0.773 -4.302 -0.379 1.00 25.54 C ATOM 85 O HIS A 6 0.022 -4.353 0.561 1.00 54.42 O ATOM 86 CB HIS A 6 0.928 -3.045 -1.714 1.00 54.35 C ATOM 87 CG HIS A 6 2.229 -3.786 -1.709 1.00 70.04 C ATOM 88 ND1 HIS A 6 3.398 -3.258 -2.216 1.00 32.21 N ATOM 89 CD2 HIS A 6 2.542 -5.021 -1.254 1.00 23.44 C ATOM 90 CE1 HIS A 6 4.373 -4.138 -2.074 1.00 4.54 C ATOM 91 NE2 HIS A 6 3.881 -5.216 -1.492 1.00 34.03 N ATOM 0 H HIS A 6 -1.522 -2.341 -2.315 1.00 54.03 H new ATOM 0 HA HIS A 6 -0.020 -4.882 -2.295 1.00 33.24 H new ATOM 0 HB2 HIS A 6 0.912 -2.361 -2.563 1.00 54.35 H new ATOM 0 HB3 HIS A 6 0.863 -2.436 -0.813 1.00 54.35 H new ATOM 0 HD2 HIS A 6 1.865 -5.723 -0.790 1.00 23.44 H new ATOM 0 HE1 HIS A 6 5.399 -3.999 -2.382 1.00 4.54 H new ATOM 0 HE2 HIS A 6 4.409 -6.057 -1.257 1.00 34.03 H new ATOM 99 N ASP A 7 -2.073 -4.538 -0.240 1.00 44.22 N ATOM 100 CA ASP A 7 -2.655 -4.878 1.053 1.00 4.41 C ATOM 101 C ASP A 7 -2.828 -6.387 1.191 1.00 10.13 C ATOM 102 O ASP A 7 -3.628 -6.997 0.482 1.00 63.30 O ATOM 103 CB ASP A 7 -4.004 -4.179 1.229 1.00 44.54 C ATOM 104 CG ASP A 7 -4.234 -3.714 2.653 1.00 20.23 C ATOM 105 OD1 ASP A 7 -4.372 -2.491 2.864 1.00 12.20 O ATOM 106 OD2 ASP A 7 -4.277 -4.574 3.557 1.00 30.25 O ATOM 0 H ASP A 7 -2.744 -4.500 -1.007 1.00 44.22 H new ATOM 0 HA ASP A 7 -1.973 -4.536 1.832 1.00 4.41 H new ATOM 0 HB2 ASP A 7 -4.056 -3.322 0.557 1.00 44.54 H new ATOM 0 HB3 ASP A 7 -4.804 -4.861 0.939 1.00 44.54 H new ATOM 111 N SER A 8 -2.073 -6.983 2.108 1.00 3.34 N ATOM 112 CA SER A 8 -2.139 -8.421 2.336 1.00 32.53 C ATOM 113 C SER A 8 -3.457 -8.806 3.002 1.00 1.44 C ATOM 114 O SER A 8 -3.762 -9.986 3.165 1.00 73.20 O ATOM 115 CB SER A 8 -0.964 -8.877 3.204 1.00 13.42 C ATOM 116 OG SER A 8 0.219 -8.170 2.872 1.00 35.32 O ATOM 0 H SER A 8 -1.408 -6.492 2.705 1.00 3.34 H new ATOM 0 HA SER A 8 -2.081 -8.919 1.368 1.00 32.53 H new ATOM 0 HB2 SER A 8 -1.202 -8.720 4.256 1.00 13.42 H new ATOM 0 HB3 SER A 8 -0.802 -9.947 3.070 1.00 13.42 H new ATOM 0 HG SER A 8 0.955 -8.478 3.441 1.00 35.32 H new ATOM 122 N GLY A 9 -4.235 -7.798 3.386 1.00 2.12 N ATOM 123 CA GLY A 9 -5.511 -8.049 4.030 1.00 23.34 C ATOM 124 C GLY A 9 -6.678 -7.485 3.245 1.00 61.52 C ATOM 125 O GLY A 9 -7.819 -7.910 3.425 1.00 75.31 O ATOM 0 H GLY A 9 -4.004 -6.812 3.262 1.00 2.12 H new ATOM 0 HA2 GLY A 9 -5.646 -9.123 4.155 1.00 23.34 H new ATOM 0 HA3 GLY A 9 -5.503 -7.611 5.028 1.00 23.34 H new ATOM 129 N TYR A 10 -6.393 -6.525 2.372 1.00 21.43 N ATOM 130 CA TYR A 10 -7.429 -5.899 1.559 1.00 22.42 C ATOM 131 C TYR A 10 -7.445 -6.486 0.151 1.00 30.31 C ATOM 132 O TYR A 10 -8.457 -6.424 -0.547 1.00 23.43 O ATOM 133 CB TYR A 10 -7.209 -4.387 1.491 1.00 64.21 C ATOM 134 CG TYR A 10 -8.492 -3.592 1.409 1.00 3.40 C ATOM 135 CD1 TYR A 10 -9.044 -3.252 0.180 1.00 32.00 C ATOM 136 CD2 TYR A 10 -9.151 -3.179 2.560 1.00 11.40 C ATOM 137 CE1 TYR A 10 -10.216 -2.525 0.100 1.00 10.42 C ATOM 138 CE2 TYR A 10 -10.324 -2.452 2.490 1.00 60.23 C ATOM 139 CZ TYR A 10 -10.852 -2.128 1.258 1.00 53.53 C ATOM 140 OH TYR A 10 -12.020 -1.403 1.183 1.00 2.14 O ATOM 0 H TYR A 10 -5.453 -6.163 2.209 1.00 21.43 H new ATOM 0 HA TYR A 10 -8.393 -6.098 2.027 1.00 22.42 H new ATOM 0 HB2 TYR A 10 -6.650 -4.070 2.371 1.00 64.21 H new ATOM 0 HB3 TYR A 10 -6.592 -4.157 0.622 1.00 64.21 H new ATOM 0 HD1 TYR A 10 -8.548 -3.561 -0.728 1.00 32.00 H new ATOM 0 HD2 TYR A 10 -8.739 -3.430 3.526 1.00 11.40 H new ATOM 0 HE1 TYR A 10 -10.632 -2.269 -0.863 1.00 10.42 H new ATOM 0 HE2 TYR A 10 -10.824 -2.139 3.395 1.00 60.23 H new ATOM 0 HH TYR A 10 -12.340 -1.204 2.088 1.00 2.14 H new ATOM 150 N GLU A 11 -6.316 -7.056 -0.259 1.00 30.35 N ATOM 151 CA GLU A 11 -6.200 -7.655 -1.583 1.00 40.43 C ATOM 152 C GLU A 11 -6.606 -9.125 -1.554 1.00 30.25 C ATOM 153 O GLU A 11 -6.397 -9.858 -2.520 1.00 61.32 O ATOM 154 CB GLU A 11 -4.768 -7.520 -2.104 1.00 64.03 C ATOM 155 CG GLU A 11 -3.883 -8.708 -1.766 1.00 3.02 C ATOM 156 CD GLU A 11 -2.405 -8.384 -1.872 1.00 52.13 C ATOM 157 OE1 GLU A 11 -1.638 -8.820 -0.989 1.00 23.12 O ATOM 158 OE2 GLU A 11 -2.017 -7.695 -2.838 1.00 45.50 O ATOM 0 H GLU A 11 -5.469 -7.115 0.307 1.00 30.35 H new ATOM 0 HA GLU A 11 -6.875 -7.124 -2.254 1.00 40.43 H new ATOM 0 HB2 GLU A 11 -4.794 -7.394 -3.186 1.00 64.03 H new ATOM 0 HB3 GLU A 11 -4.323 -6.616 -1.688 1.00 64.03 H new ATOM 0 HG2 GLU A 11 -4.105 -9.045 -0.754 1.00 3.02 H new ATOM 0 HG3 GLU A 11 -4.119 -9.534 -2.437 1.00 3.02 H new ATOM 165 N VAL A 12 -7.188 -9.550 -0.436 1.00 65.12 N ATOM 166 CA VAL A 12 -7.624 -10.932 -0.279 1.00 62.43 C ATOM 167 C VAL A 12 -9.124 -11.066 -0.517 1.00 43.32 C ATOM 168 O VAL A 12 -9.725 -10.260 -1.229 1.00 5.24 O ATOM 169 CB VAL A 12 -7.288 -11.471 1.124 1.00 62.20 C ATOM 170 CG1 VAL A 12 -6.832 -12.920 1.045 1.00 74.31 C ATOM 171 CG2 VAL A 12 -6.227 -10.606 1.786 1.00 4.35 C ATOM 0 H VAL A 12 -7.368 -8.956 0.374 1.00 65.12 H new ATOM 0 HA VAL A 12 -7.087 -11.519 -1.024 1.00 62.43 H new ATOM 0 HB VAL A 12 -8.190 -11.432 1.735 1.00 62.20 H new ATOM 0 HG11 VAL A 12 -6.599 -13.283 2.046 1.00 74.31 H new ATOM 0 HG12 VAL A 12 -7.627 -13.529 0.614 1.00 74.31 H new ATOM 0 HG13 VAL A 12 -5.943 -12.988 0.418 1.00 74.31 H new ATOM 0 HG21 VAL A 12 -6.002 -11.001 2.777 1.00 4.35 H new ATOM 0 HG22 VAL A 12 -5.322 -10.611 1.178 1.00 4.35 H new ATOM 0 HG23 VAL A 12 -6.596 -9.584 1.878 1.00 4.35 H new ATOM 181 N HIS A 13 -9.724 -12.088 0.083 1.00 30.54 N ATOM 182 CA HIS A 13 -11.156 -12.327 -0.062 1.00 64.31 C ATOM 183 C HIS A 13 -11.948 -11.048 0.188 1.00 40.30 C ATOM 184 O HIS A 13 -13.075 -10.901 -0.285 1.00 75.01 O ATOM 185 CB HIS A 13 -11.612 -13.421 0.904 1.00 54.21 C ATOM 186 CG HIS A 13 -12.844 -13.061 1.677 1.00 62.22 C ATOM 187 ND1 HIS A 13 -14.118 -13.361 1.244 1.00 13.01 N ATOM 188 CD2 HIS A 13 -12.991 -12.424 2.862 1.00 24.31 C ATOM 189 CE1 HIS A 13 -14.996 -12.922 2.129 1.00 62.51 C ATOM 190 NE2 HIS A 13 -14.337 -12.350 3.121 1.00 73.53 N ATOM 0 H HIS A 13 -9.241 -12.765 0.674 1.00 30.54 H new ATOM 0 HA HIS A 13 -11.343 -12.655 -1.085 1.00 64.31 H new ATOM 0 HB2 HIS A 13 -11.800 -14.336 0.342 1.00 54.21 H new ATOM 0 HB3 HIS A 13 -10.804 -13.637 1.603 1.00 54.21 H new ATOM 0 HD2 HIS A 13 -12.197 -12.044 3.488 1.00 24.31 H new ATOM 0 HE1 HIS A 13 -16.069 -13.015 2.054 1.00 62.51 H new ATOM 0 HE2 HIS A 13 -14.760 -11.923 3.945 1.00 73.53 H new ATOM 198 N HIS A 14 -11.351 -10.124 0.935 1.00 72.10 N ATOM 199 CA HIS A 14 -12.002 -8.857 1.248 1.00 3.30 C ATOM 200 C HIS A 14 -12.732 -8.305 0.027 1.00 11.25 C ATOM 201 O HIS A 14 -13.816 -7.734 0.147 1.00 23.15 O ATOM 202 CB HIS A 14 -10.973 -7.840 1.744 1.00 21.11 C ATOM 203 CG HIS A 14 -11.477 -6.971 2.855 1.00 22.52 C ATOM 204 ND1 HIS A 14 -12.525 -6.089 2.704 1.00 14.21 N ATOM 205 CD2 HIS A 14 -11.071 -6.855 4.141 1.00 10.32 C ATOM 206 CE1 HIS A 14 -12.742 -5.465 3.849 1.00 64.35 C ATOM 207 NE2 HIS A 14 -11.873 -5.912 4.737 1.00 24.42 N ATOM 0 H HIS A 14 -10.418 -10.229 1.334 1.00 72.10 H new ATOM 0 HA HIS A 14 -12.733 -9.037 2.036 1.00 3.30 H new ATOM 0 HB2 HIS A 14 -10.084 -8.371 2.084 1.00 21.11 H new ATOM 0 HB3 HIS A 14 -10.667 -7.208 0.910 1.00 21.11 H new ATOM 0 HD2 HIS A 14 -10.267 -7.402 4.611 1.00 10.32 H new ATOM 0 HE1 HIS A 14 -13.501 -4.717 4.028 1.00 64.35 H new ATOM 0 HE2 HIS A 14 -11.808 -5.607 5.708 1.00 24.42 H new ATOM 215 N GLN A 15 -12.130 -8.479 -1.145 1.00 15.31 N ATOM 216 CA GLN A 15 -12.724 -7.996 -2.386 1.00 62.34 C ATOM 217 C GLN A 15 -12.408 -8.939 -3.543 1.00 45.30 C ATOM 218 O GLN A 15 -11.245 -9.247 -3.807 1.00 51.32 O ATOM 219 CB GLN A 15 -12.216 -6.589 -2.706 1.00 32.20 C ATOM 220 CG GLN A 15 -10.777 -6.350 -2.278 1.00 53.22 C ATOM 221 CD GLN A 15 -9.776 -7.021 -3.198 1.00 2.45 C ATOM 222 OE1 GLN A 15 -9.627 -6.637 -4.358 1.00 74.33 O ATOM 223 NE2 GLN A 15 -9.081 -8.029 -2.682 1.00 55.54 N ATOM 0 H GLN A 15 -11.233 -8.950 -1.261 1.00 15.31 H new ATOM 0 HA GLN A 15 -13.805 -7.962 -2.253 1.00 62.34 H new ATOM 0 HB2 GLN A 15 -12.301 -6.416 -3.779 1.00 32.20 H new ATOM 0 HB3 GLN A 15 -12.859 -5.859 -2.214 1.00 32.20 H new ATOM 0 HG2 GLN A 15 -10.582 -5.278 -2.255 1.00 53.22 H new ATOM 0 HG3 GLN A 15 -10.637 -6.721 -1.263 1.00 53.22 H new ATOM 0 HE21 GLN A 15 -9.237 -8.314 -1.715 1.00 55.54 H new ATOM 0 HE22 GLN A 15 -8.391 -8.518 -3.253 1.00 55.54 H new ATOM 232 N LYS A 16 -13.449 -9.395 -4.230 1.00 55.51 N ATOM 233 CA LYS A 16 -13.284 -10.302 -5.360 1.00 11.53 C ATOM 234 C LYS A 16 -14.112 -9.839 -6.555 1.00 22.14 C ATOM 235 O LYS A 16 -14.136 -10.494 -7.597 1.00 64.43 O ATOM 236 CB LYS A 16 -13.691 -11.722 -4.963 1.00 72.51 C ATOM 237 CG LYS A 16 -13.334 -12.770 -6.003 1.00 72.13 C ATOM 238 CD LYS A 16 -13.384 -14.173 -5.422 1.00 20.04 C ATOM 239 CE LYS A 16 -14.515 -14.988 -6.029 1.00 72.41 C ATOM 240 NZ LYS A 16 -15.261 -15.758 -4.995 1.00 72.24 N ATOM 0 H LYS A 16 -14.418 -9.151 -4.024 1.00 55.51 H new ATOM 0 HA LYS A 16 -12.232 -10.299 -5.647 1.00 11.53 H new ATOM 0 HB2 LYS A 16 -13.209 -11.979 -4.020 1.00 72.51 H new ATOM 0 HB3 LYS A 16 -14.767 -11.747 -4.788 1.00 72.51 H new ATOM 0 HG2 LYS A 16 -14.024 -12.699 -6.844 1.00 72.13 H new ATOM 0 HG3 LYS A 16 -12.335 -12.572 -6.392 1.00 72.13 H new ATOM 0 HD2 LYS A 16 -12.434 -14.676 -5.602 1.00 20.04 H new ATOM 0 HD3 LYS A 16 -13.515 -14.116 -4.341 1.00 20.04 H new ATOM 0 HE2 LYS A 16 -15.202 -14.323 -6.552 1.00 72.41 H new ATOM 0 HE3 LYS A 16 -14.109 -15.675 -6.771 1.00 72.41 H new ATOM 0 HZ1 LYS A 16 -16.024 -16.300 -5.449 1.00 72.24 H new ATOM 0 HZ2 LYS A 16 -14.611 -16.411 -4.513 1.00 72.24 H new ATOM 0 HZ3 LYS A 16 -15.670 -15.101 -4.300 1.00 72.24 H new ATOM 254 N LEU A 17 -14.788 -8.707 -6.397 1.00 51.40 N ATOM 255 CA LEU A 17 -15.616 -8.155 -7.464 1.00 72.30 C ATOM 256 C LEU A 17 -15.142 -6.760 -7.856 1.00 5.43 C ATOM 257 O LEU A 17 -15.325 -6.326 -8.993 1.00 75.32 O ATOM 258 CB LEU A 17 -17.081 -8.104 -7.025 1.00 44.11 C ATOM 259 CG LEU A 17 -17.348 -7.487 -5.652 1.00 14.31 C ATOM 260 CD1 LEU A 17 -18.661 -6.719 -5.659 1.00 11.23 C ATOM 261 CD2 LEU A 17 -17.364 -8.564 -4.577 1.00 1.30 C ATOM 0 H LEU A 17 -14.779 -8.153 -5.541 1.00 51.40 H new ATOM 0 HA LEU A 17 -15.526 -8.806 -8.333 1.00 72.30 H new ATOM 0 HB2 LEU A 17 -17.643 -7.541 -7.770 1.00 44.11 H new ATOM 0 HB3 LEU A 17 -17.476 -9.120 -7.028 1.00 44.11 H new ATOM 0 HG LEU A 17 -16.543 -6.788 -5.426 1.00 14.31 H new ATOM 0 HD11 LEU A 17 -18.835 -6.287 -4.674 1.00 11.23 H new ATOM 0 HD12 LEU A 17 -18.613 -5.922 -6.401 1.00 11.23 H new ATOM 0 HD13 LEU A 17 -19.478 -7.397 -5.907 1.00 11.23 H new ATOM 0 HD21 LEU A 17 -17.555 -8.106 -3.606 1.00 1.30 H new ATOM 0 HD22 LEU A 17 -18.149 -9.287 -4.798 1.00 1.30 H new ATOM 0 HD23 LEU A 17 -16.399 -9.071 -4.555 1.00 1.30 H new ATOM 273 N VAL A 18 -14.528 -6.061 -6.906 1.00 42.41 N ATOM 274 CA VAL A 18 -14.023 -4.715 -7.152 1.00 73.04 C ATOM 275 C VAL A 18 -13.045 -4.700 -8.322 1.00 32.43 C ATOM 276 O VAL A 18 -12.836 -3.667 -8.957 1.00 41.22 O ATOM 277 CB VAL A 18 -13.325 -4.141 -5.906 1.00 4.43 C ATOM 278 CG1 VAL A 18 -11.954 -4.775 -5.722 1.00 14.15 C ATOM 279 CG2 VAL A 18 -13.211 -2.627 -6.009 1.00 31.20 C ATOM 0 H VAL A 18 -14.368 -6.405 -5.959 1.00 42.41 H new ATOM 0 HA VAL A 18 -14.885 -4.093 -7.395 1.00 73.04 H new ATOM 0 HB VAL A 18 -13.930 -4.379 -5.031 1.00 4.43 H new ATOM 0 HG11 VAL A 18 -11.476 -4.357 -4.836 1.00 14.15 H new ATOM 0 HG12 VAL A 18 -12.065 -5.852 -5.600 1.00 14.15 H new ATOM 0 HG13 VAL A 18 -11.338 -4.570 -6.598 1.00 14.15 H new ATOM 0 HG21 VAL A 18 -12.715 -2.238 -5.120 1.00 31.20 H new ATOM 0 HG22 VAL A 18 -12.629 -2.365 -6.893 1.00 31.20 H new ATOM 0 HG23 VAL A 18 -14.207 -2.192 -6.089 1.00 31.20 H new ATOM 289 N PHE A 19 -12.448 -5.854 -8.601 1.00 74.42 N ATOM 290 CA PHE A 19 -11.491 -5.975 -9.695 1.00 11.13 C ATOM 291 C PHE A 19 -12.208 -6.051 -11.039 1.00 72.14 C ATOM 292 O PHE A 19 -12.003 -6.987 -11.813 1.00 1.30 O ATOM 293 CB PHE A 19 -10.615 -7.214 -9.500 1.00 35.41 C ATOM 294 CG PHE A 19 -9.221 -7.054 -10.035 1.00 54.23 C ATOM 295 CD1 PHE A 19 -8.367 -6.100 -9.506 1.00 32.14 C ATOM 296 CD2 PHE A 19 -8.765 -7.856 -11.069 1.00 34.12 C ATOM 297 CE1 PHE A 19 -7.084 -5.950 -9.996 1.00 5.12 C ATOM 298 CE2 PHE A 19 -7.483 -7.711 -11.563 1.00 2.23 C ATOM 299 CZ PHE A 19 -6.641 -6.756 -11.026 1.00 52.24 C ATOM 0 H PHE A 19 -12.610 -6.719 -8.085 1.00 74.42 H new ATOM 0 HA PHE A 19 -10.858 -5.087 -9.691 1.00 11.13 H new ATOM 0 HB2 PHE A 19 -10.563 -7.448 -8.437 1.00 35.41 H new ATOM 0 HB3 PHE A 19 -11.088 -8.064 -9.991 1.00 35.41 H new ATOM 0 HD1 PHE A 19 -8.708 -5.466 -8.701 1.00 32.14 H new ATOM 0 HD2 PHE A 19 -9.419 -8.603 -11.494 1.00 34.12 H new ATOM 0 HE1 PHE A 19 -6.428 -5.203 -9.574 1.00 5.12 H new ATOM 0 HE2 PHE A 19 -7.139 -8.343 -12.368 1.00 2.23 H new ATOM 0 HZ PHE A 19 -5.639 -6.640 -11.411 1.00 52.24 H new ATOM 309 N PHE A 20 -13.051 -5.060 -11.311 1.00 21.02 N ATOM 310 CA PHE A 20 -13.800 -5.015 -12.561 1.00 14.51 C ATOM 311 C PHE A 20 -14.747 -3.818 -12.584 1.00 41.12 C ATOM 312 O PHE A 20 -15.004 -3.237 -13.638 1.00 42.30 O ATOM 313 CB PHE A 20 -14.592 -6.310 -12.753 1.00 15.53 C ATOM 314 CG PHE A 20 -14.118 -7.136 -13.914 1.00 11.13 C ATOM 315 CD1 PHE A 20 -14.074 -6.600 -15.191 1.00 35.04 C ATOM 316 CD2 PHE A 20 -13.716 -8.449 -13.728 1.00 54.02 C ATOM 317 CE1 PHE A 20 -13.638 -7.358 -16.261 1.00 52.33 C ATOM 318 CE2 PHE A 20 -13.279 -9.211 -14.795 1.00 22.23 C ATOM 319 CZ PHE A 20 -13.241 -8.665 -16.063 1.00 22.40 C ATOM 0 H PHE A 20 -13.232 -4.277 -10.682 1.00 21.02 H new ATOM 0 HA PHE A 20 -13.088 -4.909 -13.379 1.00 14.51 H new ATOM 0 HB2 PHE A 20 -14.525 -6.906 -11.843 1.00 15.53 H new ATOM 0 HB3 PHE A 20 -15.644 -6.065 -12.897 1.00 15.53 H new ATOM 0 HD1 PHE A 20 -14.384 -5.578 -15.352 1.00 35.04 H new ATOM 0 HD2 PHE A 20 -13.744 -8.881 -12.739 1.00 54.02 H new ATOM 0 HE1 PHE A 20 -13.608 -6.928 -17.251 1.00 52.33 H new ATOM 0 HE2 PHE A 20 -12.967 -10.233 -14.637 1.00 22.23 H new ATOM 0 HZ PHE A 20 -12.901 -9.260 -16.898 1.00 22.40 H new ATOM 329 N ALA A 21 -15.263 -3.456 -11.414 1.00 61.31 N ATOM 330 CA ALA A 21 -16.180 -2.329 -11.299 1.00 44.11 C ATOM 331 C ALA A 21 -15.471 -1.012 -11.599 1.00 61.40 C ATOM 332 O ALA A 21 -16.107 -0.025 -11.967 1.00 23.20 O ATOM 333 CB ALA A 21 -16.800 -2.292 -9.910 1.00 65.31 C ATOM 0 H ALA A 21 -15.061 -3.927 -10.532 1.00 61.31 H new ATOM 0 HA ALA A 21 -16.973 -2.461 -12.035 1.00 44.11 H new ATOM 0 HB1 ALA A 21 -17.483 -1.445 -9.839 1.00 65.31 H new ATOM 0 HB2 ALA A 21 -17.349 -3.217 -9.732 1.00 65.31 H new ATOM 0 HB3 ALA A 21 -16.013 -2.188 -9.163 1.00 65.31 H new ATOM 339 N GLU A 22 -14.151 -1.006 -11.438 1.00 53.24 N ATOM 340 CA GLU A 22 -13.358 0.191 -11.691 1.00 44.10 C ATOM 341 C GLU A 22 -12.902 0.245 -13.146 1.00 60.44 C ATOM 342 O GLU A 22 -11.707 0.323 -13.431 1.00 62.24 O ATOM 343 CB GLU A 22 -12.142 0.229 -10.763 1.00 2.12 C ATOM 344 CG GLU A 22 -11.729 1.634 -10.357 1.00 55.11 C ATOM 345 CD GLU A 22 -11.507 2.544 -11.550 1.00 21.04 C ATOM 346 OE1 GLU A 22 -10.483 2.371 -12.244 1.00 75.22 O ATOM 347 OE2 GLU A 22 -12.355 3.429 -11.788 1.00 71.30 O ATOM 0 H GLU A 22 -13.610 -1.815 -11.134 1.00 53.24 H new ATOM 0 HA GLU A 22 -13.986 1.060 -11.493 1.00 44.10 H new ATOM 0 HB2 GLU A 22 -12.362 -0.349 -9.866 1.00 2.12 H new ATOM 0 HB3 GLU A 22 -11.302 -0.259 -11.258 1.00 2.12 H new ATOM 0 HG2 GLU A 22 -12.498 2.064 -9.715 1.00 55.11 H new ATOM 0 HG3 GLU A 22 -10.813 1.584 -9.768 1.00 55.11 H new ATOM 354 N ASP A 23 -13.863 0.201 -14.063 1.00 2.43 N ATOM 355 CA ASP A 23 -13.562 0.245 -15.489 1.00 3.40 C ATOM 356 C ASP A 23 -14.844 0.236 -16.316 1.00 2.14 C ATOM 357 O ASP A 23 -14.925 0.880 -17.362 1.00 12.14 O ATOM 358 CB ASP A 23 -12.678 -0.939 -15.882 1.00 71.52 C ATOM 359 CG ASP A 23 -12.505 -1.059 -17.383 1.00 65.25 C ATOM 360 OD1 ASP A 23 -11.420 -0.697 -17.887 1.00 12.24 O ATOM 361 OD2 ASP A 23 -13.453 -1.516 -18.055 1.00 44.03 O ATOM 0 H ASP A 23 -14.857 0.135 -13.844 1.00 2.43 H new ATOM 0 HA ASP A 23 -13.026 1.172 -15.694 1.00 3.40 H new ATOM 0 HB2 ASP A 23 -11.700 -0.829 -15.414 1.00 71.52 H new ATOM 0 HB3 ASP A 23 -13.115 -1.859 -15.495 1.00 71.52 H new ATOM 366 N VAL A 24 -15.844 -0.499 -15.840 1.00 25.44 N ATOM 367 CA VAL A 24 -17.122 -0.593 -16.534 1.00 40.12 C ATOM 368 C VAL A 24 -17.684 0.791 -16.839 1.00 71.13 C ATOM 369 O VAL A 24 -18.383 0.983 -17.834 1.00 4.54 O ATOM 370 CB VAL A 24 -18.154 -1.383 -15.707 1.00 64.23 C ATOM 371 CG1 VAL A 24 -19.467 -1.503 -16.465 1.00 40.32 C ATOM 372 CG2 VAL A 24 -17.608 -2.757 -15.349 1.00 34.41 C ATOM 0 H VAL A 24 -15.793 -1.038 -14.976 1.00 25.44 H new ATOM 0 HA VAL A 24 -16.936 -1.121 -17.469 1.00 40.12 H new ATOM 0 HB VAL A 24 -18.345 -0.840 -14.781 1.00 64.23 H new ATOM 0 HG11 VAL A 24 -20.183 -2.064 -15.865 1.00 40.32 H new ATOM 0 HG12 VAL A 24 -19.863 -0.508 -16.666 1.00 40.32 H new ATOM 0 HG13 VAL A 24 -19.297 -2.023 -17.408 1.00 40.32 H new ATOM 0 HG21 VAL A 24 -18.349 -3.302 -14.765 1.00 34.41 H new ATOM 0 HG22 VAL A 24 -17.387 -3.310 -16.262 1.00 34.41 H new ATOM 0 HG23 VAL A 24 -16.696 -2.645 -14.763 1.00 34.41 H new ATOM 382 N GLY A 25 -17.374 1.753 -15.976 1.00 42.50 N ATOM 383 CA GLY A 25 -17.856 3.108 -16.171 1.00 1.42 C ATOM 384 C GLY A 25 -17.447 3.682 -17.513 1.00 73.21 C ATOM 385 O GLY A 25 -18.112 4.571 -18.044 1.00 54.03 O ATOM 0 H GLY A 25 -16.798 1.619 -15.145 1.00 42.50 H new ATOM 0 HA2 GLY A 25 -18.943 3.119 -16.091 1.00 1.42 H new ATOM 0 HA3 GLY A 25 -17.472 3.745 -15.375 1.00 1.42 H new ATOM 389 N SER A 26 -16.349 3.173 -18.063 1.00 10.24 N ATOM 390 CA SER A 26 -15.849 3.644 -19.349 1.00 13.41 C ATOM 391 C SER A 26 -16.473 2.855 -20.496 1.00 44.01 C ATOM 392 O SER A 26 -15.770 2.221 -21.282 1.00 4.23 O ATOM 393 CB SER A 26 -14.325 3.526 -19.402 1.00 61.32 C ATOM 394 OG SER A 26 -13.770 4.482 -20.288 1.00 5.53 O ATOM 0 H SER A 26 -15.789 2.434 -17.638 1.00 10.24 H new ATOM 0 HA SER A 26 -16.128 4.692 -19.458 1.00 13.41 H new ATOM 0 HB2 SER A 26 -13.911 3.668 -18.404 1.00 61.32 H new ATOM 0 HB3 SER A 26 -14.046 2.523 -19.723 1.00 61.32 H new ATOM 0 HG SER A 26 -12.795 4.387 -20.303 1.00 5.53 H new ATOM 414 N LYS A 28 -17.777 3.869 -23.218 1.00 43.41 N ATOM 415 CA LYS A 28 -17.271 4.371 -24.491 1.00 35.34 C ATOM 416 C LYS A 28 -18.301 4.176 -25.599 1.00 42.24 C ATOM 417 O LYS A 28 -18.811 3.075 -25.800 1.00 30.23 O ATOM 418 CB LYS A 28 -15.967 3.660 -24.861 1.00 14.45 C ATOM 419 CG LYS A 28 -14.855 4.608 -25.275 1.00 71.14 C ATOM 420 CD LYS A 28 -15.036 5.089 -26.705 1.00 75.44 C ATOM 421 CE LYS A 28 -14.143 6.281 -27.010 1.00 51.30 C ATOM 422 NZ LYS A 28 -14.582 7.503 -26.281 1.00 4.43 N ATOM 0 HA LYS A 28 -17.077 5.438 -24.382 1.00 35.34 H new ATOM 0 HB2 LYS A 28 -15.631 3.069 -24.009 1.00 14.45 H new ATOM 0 HB3 LYS A 28 -16.161 2.963 -25.676 1.00 14.45 H new ATOM 0 HG2 LYS A 28 -14.837 5.465 -24.602 1.00 71.14 H new ATOM 0 HG3 LYS A 28 -13.893 4.106 -25.178 1.00 71.14 H new ATOM 0 HD2 LYS A 28 -14.808 4.276 -27.395 1.00 75.44 H new ATOM 0 HD3 LYS A 28 -16.078 5.363 -26.869 1.00 75.44 H new ATOM 0 HE2 LYS A 28 -13.115 6.044 -26.736 1.00 51.30 H new ATOM 0 HE3 LYS A 28 -14.150 6.475 -28.082 1.00 51.30 H new ATOM 0 HZ1 LYS A 28 -14.150 8.342 -26.718 1.00 4.43 H new ATOM 0 HZ2 LYS A 28 -15.618 7.583 -26.329 1.00 4.43 H new ATOM 0 HZ3 LYS A 28 -14.285 7.439 -25.286 1.00 4.43 H new ATOM 436 N GLY A 29 -18.600 5.254 -26.319 1.00 34.25 N ATOM 437 CA GLY A 29 -19.566 5.179 -27.399 1.00 54.40 C ATOM 438 C GLY A 29 -20.974 5.505 -26.941 1.00 74.33 C ATOM 439 O GLY A 29 -21.861 5.744 -27.761 1.00 2.13 O ATOM 0 H GLY A 29 -18.191 6.177 -26.173 1.00 34.25 H new ATOM 0 HA2 GLY A 29 -19.276 5.870 -28.191 1.00 54.40 H new ATOM 0 HA3 GLY A 29 -19.550 4.177 -27.828 1.00 54.40 H new ATOM 443 N ALA A 30 -21.181 5.512 -25.629 1.00 13.04 N ATOM 444 CA ALA A 30 -22.491 5.811 -25.063 1.00 73.54 C ATOM 445 C ALA A 30 -22.382 6.825 -23.930 1.00 51.23 C ATOM 446 O ALA A 30 -23.332 7.029 -23.174 1.00 10.13 O ATOM 447 CB ALA A 30 -23.156 4.534 -24.569 1.00 53.34 C ATOM 0 H ALA A 30 -20.458 5.314 -24.937 1.00 13.04 H new ATOM 0 HA ALA A 30 -23.107 6.249 -25.848 1.00 73.54 H new ATOM 0 HB1 ALA A 30 -24.133 4.772 -24.149 1.00 53.34 H new ATOM 0 HB2 ALA A 30 -23.278 3.842 -25.402 1.00 53.34 H new ATOM 0 HB3 ALA A 30 -22.534 4.073 -23.802 1.00 53.34 H new ATOM 453 N ILE A 31 -21.219 7.458 -23.819 1.00 20.42 N ATOM 454 CA ILE A 31 -20.987 8.451 -22.778 1.00 1.22 C ATOM 455 C ILE A 31 -20.198 9.639 -23.318 1.00 14.41 C ATOM 456 O ILE A 31 -19.371 10.219 -22.614 1.00 40.53 O ATOM 457 CB ILE A 31 -20.228 7.847 -21.582 1.00 21.32 C ATOM 458 CG1 ILE A 31 -20.493 6.343 -21.489 1.00 64.43 C ATOM 459 CG2 ILE A 31 -20.634 8.542 -20.291 1.00 21.11 C ATOM 460 CD1 ILE A 31 -20.132 5.747 -20.147 1.00 25.14 C ATOM 0 H ILE A 31 -20.423 7.301 -24.437 1.00 20.42 H new ATOM 0 HA ILE A 31 -21.967 8.790 -22.442 1.00 1.22 H new ATOM 0 HB ILE A 31 -19.160 8.000 -21.734 1.00 21.32 H new ATOM 0 HG12 ILE A 31 -21.548 6.155 -21.689 1.00 64.43 H new ATOM 0 HG13 ILE A 31 -19.926 5.834 -22.268 1.00 64.43 H new ATOM 0 HG21 ILE A 31 -20.089 8.104 -19.455 1.00 21.11 H new ATOM 0 HG22 ILE A 31 -20.399 9.604 -20.360 1.00 21.11 H new ATOM 0 HG23 ILE A 31 -21.705 8.417 -20.132 1.00 21.11 H new ATOM 0 HD11 ILE A 31 -20.346 4.678 -20.154 1.00 25.14 H new ATOM 0 HD12 ILE A 31 -19.071 5.903 -19.953 1.00 25.14 H new ATOM 0 HD13 ILE A 31 -20.718 6.230 -19.365 1.00 25.14 H new ATOM 472 N ILE A 32 -20.462 9.997 -24.570 1.00 41.21 N ATOM 473 CA ILE A 32 -19.779 11.118 -25.203 1.00 40.54 C ATOM 474 C ILE A 32 -20.263 12.449 -24.636 1.00 73.52 C ATOM 475 O ILE A 32 -19.571 13.462 -24.723 1.00 63.42 O ATOM 476 CB ILE A 32 -19.990 11.117 -26.729 1.00 65.21 C ATOM 477 CG1 ILE A 32 -19.343 12.354 -27.356 1.00 74.24 C ATOM 478 CG2 ILE A 32 -21.474 11.063 -27.059 1.00 23.01 C ATOM 479 CD1 ILE A 32 -17.867 12.483 -27.054 1.00 41.30 C ATOM 0 H ILE A 32 -21.144 9.527 -25.166 1.00 41.21 H new ATOM 0 HA ILE A 32 -18.716 11.000 -24.991 1.00 40.54 H new ATOM 0 HB ILE A 32 -19.513 10.230 -27.146 1.00 65.21 H new ATOM 0 HG12 ILE A 32 -19.483 12.319 -28.436 1.00 74.24 H new ATOM 0 HG13 ILE A 32 -19.858 13.245 -26.997 1.00 74.24 H new ATOM 0 HG21 ILE A 32 -21.606 11.063 -28.141 1.00 23.01 H new ATOM 0 HG22 ILE A 32 -21.907 10.154 -26.640 1.00 23.01 H new ATOM 0 HG23 ILE A 32 -21.973 11.933 -26.632 1.00 23.01 H new ATOM 0 HD11 ILE A 32 -17.475 13.382 -27.530 1.00 41.30 H new ATOM 0 HD12 ILE A 32 -17.721 12.550 -25.976 1.00 41.30 H new ATOM 0 HD13 ILE A 32 -17.339 11.610 -27.438 1.00 41.30 H new ATOM 491 N GLY A 33 -21.458 12.437 -24.053 1.00 10.14 N ATOM 492 CA GLY A 33 -22.014 13.648 -23.478 1.00 33.25 C ATOM 493 C GLY A 33 -21.941 13.657 -21.964 1.00 1.35 C ATOM 494 O GLY A 33 -22.138 14.696 -21.331 1.00 72.04 O ATOM 0 H GLY A 33 -22.050 11.611 -23.969 1.00 10.14 H new ATOM 0 HA2 GLY A 33 -21.477 14.512 -23.870 1.00 33.25 H new ATOM 0 HA3 GLY A 33 -23.054 13.750 -23.789 1.00 33.25 H new ATOM 498 N LEU A 34 -21.658 12.498 -21.379 1.00 52.33 N ATOM 499 CA LEU A 34 -21.561 12.376 -19.929 1.00 2.21 C ATOM 500 C LEU A 34 -20.105 12.265 -19.488 1.00 43.23 C ATOM 501 O LEU A 34 -19.759 12.617 -18.361 1.00 22.01 O ATOM 502 CB LEU A 34 -22.346 11.155 -19.446 1.00 51.42 C ATOM 503 CG LEU A 34 -23.655 11.447 -18.711 1.00 23.11 C ATOM 504 CD1 LEU A 34 -24.561 10.226 -18.729 1.00 62.34 C ATOM 505 CD2 LEU A 34 -23.376 11.885 -17.280 1.00 54.24 C ATOM 0 H LEU A 34 -21.492 11.629 -21.887 1.00 52.33 H new ATOM 0 HA LEU A 34 -21.989 13.275 -19.484 1.00 2.21 H new ATOM 0 HB2 LEU A 34 -22.569 10.527 -20.308 1.00 51.42 H new ATOM 0 HB3 LEU A 34 -21.704 10.573 -18.785 1.00 51.42 H new ATOM 0 HG LEU A 34 -24.166 12.260 -19.227 1.00 23.11 H new ATOM 0 HD11 LEU A 34 -25.487 10.453 -18.201 1.00 62.34 H new ATOM 0 HD12 LEU A 34 -24.787 9.956 -19.760 1.00 62.34 H new ATOM 0 HD13 LEU A 34 -24.058 9.393 -18.238 1.00 62.34 H new ATOM 0 HD21 LEU A 34 -24.318 12.089 -16.772 1.00 54.24 H new ATOM 0 HD22 LEU A 34 -22.844 11.092 -16.754 1.00 54.24 H new ATOM 0 HD23 LEU A 34 -22.766 12.788 -17.288 1.00 54.24 H new ATOM 517 N MET A 35 -19.256 11.776 -20.386 1.00 61.11 N ATOM 518 CA MET A 35 -17.836 11.622 -20.091 1.00 11.14 C ATOM 519 C MET A 35 -16.990 12.476 -21.029 1.00 42.32 C ATOM 520 O MET A 35 -15.797 12.228 -21.204 1.00 42.14 O ATOM 521 CB MET A 35 -17.425 10.153 -20.209 1.00 2.32 C ATOM 522 CG MET A 35 -16.432 9.713 -19.145 1.00 73.32 C ATOM 523 SD MET A 35 -15.051 8.777 -19.829 1.00 73.50 S ATOM 524 CE MET A 35 -15.918 7.424 -20.621 1.00 53.35 C ATOM 0 H MET A 35 -19.527 11.480 -21.324 1.00 61.11 H new ATOM 0 HA MET A 35 -17.664 11.959 -19.069 1.00 11.14 H new ATOM 0 HB2 MET A 35 -18.316 9.528 -20.144 1.00 2.32 H new ATOM 0 HB3 MET A 35 -16.989 9.984 -21.194 1.00 2.32 H new ATOM 0 HG2 MET A 35 -16.049 10.591 -18.626 1.00 73.32 H new ATOM 0 HG3 MET A 35 -16.947 9.103 -18.403 1.00 73.32 H new ATOM 0 HE1 MET A 35 -15.219 6.613 -20.824 1.00 53.35 H new ATOM 0 HE2 MET A 35 -16.710 7.065 -19.964 1.00 53.35 H new ATOM 0 HE3 MET A 35 -16.354 7.770 -21.558 1.00 53.35 H new ATOM 534 N VAL A 36 -17.615 13.483 -21.631 1.00 41.41 N ATOM 535 CA VAL A 36 -16.919 14.375 -22.551 1.00 62.33 C ATOM 536 C VAL A 36 -17.702 15.665 -22.765 1.00 74.21 C ATOM 537 O VAL A 36 -17.125 16.748 -22.851 1.00 24.45 O ATOM 538 CB VAL A 36 -16.681 13.699 -23.915 1.00 12.30 C ATOM 539 CG1 VAL A 36 -16.777 14.719 -25.040 1.00 34.41 C ATOM 540 CG2 VAL A 36 -15.331 12.998 -23.934 1.00 14.12 C ATOM 0 H VAL A 36 -18.602 13.702 -21.498 1.00 41.41 H new ATOM 0 HA VAL A 36 -15.956 14.610 -22.097 1.00 62.33 H new ATOM 0 HB VAL A 36 -17.456 12.949 -24.069 1.00 12.30 H new ATOM 0 HG11 VAL A 36 -16.606 14.224 -25.996 1.00 34.41 H new ATOM 0 HG12 VAL A 36 -17.769 15.171 -25.038 1.00 34.41 H new ATOM 0 HG13 VAL A 36 -16.025 15.494 -24.894 1.00 34.41 H new ATOM 0 HG21 VAL A 36 -15.180 12.526 -24.905 1.00 14.12 H new ATOM 0 HG22 VAL A 36 -14.540 13.727 -23.758 1.00 14.12 H new ATOM 0 HG23 VAL A 36 -15.305 12.238 -23.153 1.00 14.12 H new ATOM 550 N GLY A 37 -19.024 15.541 -22.850 1.00 44.44 N ATOM 551 CA GLY A 37 -19.866 16.706 -23.053 1.00 61.41 C ATOM 552 C GLY A 37 -19.674 17.755 -21.976 1.00 60.30 C ATOM 553 O GLY A 37 -20.194 17.620 -20.869 1.00 42.31 O ATOM 0 H GLY A 37 -19.526 14.656 -22.782 1.00 44.44 H new ATOM 0 HA2 GLY A 37 -19.646 17.144 -24.026 1.00 61.41 H new ATOM 0 HA3 GLY A 37 -20.911 16.396 -23.072 1.00 61.41 H new ATOM 557 N GLY A 38 -18.923 18.803 -22.300 1.00 11.20 N ATOM 558 CA GLY A 38 -18.675 19.863 -21.340 1.00 55.22 C ATOM 559 C GLY A 38 -17.388 19.656 -20.567 1.00 52.31 C ATOM 560 O GLY A 38 -16.810 20.609 -20.043 1.00 71.42 O ATOM 0 H GLY A 38 -18.482 18.937 -23.210 1.00 11.20 H new ATOM 0 HA2 GLY A 38 -18.632 20.819 -21.862 1.00 55.22 H new ATOM 0 HA3 GLY A 38 -19.510 19.919 -20.641 1.00 55.22 H new ATOM 564 N VAL A 39 -16.938 18.408 -20.494 1.00 21.34 N ATOM 565 CA VAL A 39 -15.711 18.078 -19.778 1.00 41.42 C ATOM 566 C VAL A 39 -14.488 18.266 -20.669 1.00 11.21 C ATOM 567 O VAL A 39 -13.391 18.543 -20.185 1.00 4.31 O ATOM 568 CB VAL A 39 -15.736 16.629 -19.259 1.00 32.45 C ATOM 569 CG1 VAL A 39 -14.441 16.299 -18.532 1.00 70.02 C ATOM 570 CG2 VAL A 39 -16.937 16.409 -18.351 1.00 1.33 C ATOM 0 H VAL A 39 -17.405 17.608 -20.922 1.00 21.34 H new ATOM 0 HA VAL A 39 -15.647 18.759 -18.929 1.00 41.42 H new ATOM 0 HB VAL A 39 -15.827 15.958 -20.113 1.00 32.45 H new ATOM 0 HG11 VAL A 39 -14.477 15.271 -18.172 1.00 70.02 H new ATOM 0 HG12 VAL A 39 -13.600 16.415 -19.216 1.00 70.02 H new ATOM 0 HG13 VAL A 39 -14.316 16.975 -17.686 1.00 70.02 H new ATOM 0 HG21 VAL A 39 -16.939 15.379 -17.993 1.00 1.33 H new ATOM 0 HG22 VAL A 39 -16.880 17.089 -17.501 1.00 1.33 H new ATOM 0 HG23 VAL A 39 -17.854 16.601 -18.908 1.00 1.33 H new ATOM 580 N VAL A 40 -14.685 18.114 -21.975 1.00 22.23 N ATOM 581 CA VAL A 40 -13.598 18.268 -22.935 1.00 14.23 C ATOM 582 C VAL A 40 -13.350 19.739 -23.252 1.00 31.41 C ATOM 583 O VAL A 40 -14.268 20.558 -23.205 1.00 32.34 O ATOM 584 CB VAL A 40 -13.896 17.515 -24.245 1.00 22.12 C ATOM 585 CG1 VAL A 40 -15.088 18.134 -24.958 1.00 33.20 C ATOM 586 CG2 VAL A 40 -12.670 17.509 -25.145 1.00 62.25 C ATOM 0 H VAL A 40 -15.587 17.884 -22.392 1.00 22.23 H new ATOM 0 HA VAL A 40 -12.706 17.843 -22.475 1.00 14.23 H new ATOM 0 HB VAL A 40 -14.146 16.482 -24.002 1.00 22.12 H new ATOM 0 HG11 VAL A 40 -15.283 17.589 -25.881 1.00 33.20 H new ATOM 0 HG12 VAL A 40 -15.965 18.081 -24.313 1.00 33.20 H new ATOM 0 HG13 VAL A 40 -14.871 19.176 -25.191 1.00 33.20 H new ATOM 0 HG21 VAL A 40 -12.898 16.973 -26.066 1.00 62.25 H new ATOM 0 HG22 VAL A 40 -12.388 18.535 -25.382 1.00 62.25 H new ATOM 0 HG23 VAL A 40 -11.845 17.015 -24.632 1.00 62.25 H new