USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 265 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 1 SER N :NH3+ -119:sc= 0.139 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0023 USER MOD Single : A 5 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00729) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00224) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.91) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 162:sc=-0.00986 (180deg=-0.171) USER MOD Single : A 23 SER OG : rot -140:sc= -0.196 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0.257 (180deg=0.257) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.338 -0.170 0.063 1.00 52.43 N ATOM 2 CA SER A 1 2.350 0.019 -1.383 1.00 24.24 C ATOM 3 C SER A 1 2.223 -1.318 -2.107 1.00 44.41 C ATOM 4 O SER A 1 2.161 -2.373 -1.477 1.00 73.41 O ATOM 5 CB SER A 1 3.635 0.727 -1.816 1.00 3.13 C ATOM 6 OG SER A 1 3.536 1.195 -3.149 1.00 33.44 O ATOM 0 H1 SER A 1 1.525 0.333 0.472 1.00 52.43 H new ATOM 0 H2 SER A 1 2.262 -1.184 0.280 1.00 52.43 H new ATOM 0 H3 SER A 1 3.218 0.206 0.470 1.00 52.43 H new ATOM 0 HA SER A 1 1.495 0.640 -1.650 1.00 24.24 H new ATOM 0 HB2 SER A 1 3.835 1.564 -1.147 1.00 3.13 H new ATOM 0 HB3 SER A 1 4.478 0.042 -1.730 1.00 3.13 H new ATOM 0 HG SER A 1 4.369 1.645 -3.400 1.00 33.44 H new ATOM 12 N GLU A 2 2.185 -1.263 -3.435 1.00 41.25 N ATOM 13 CA GLU A 2 2.065 -2.470 -4.244 1.00 73.01 C ATOM 14 C GLU A 2 3.430 -3.118 -4.460 1.00 11.12 C ATOM 15 O GLU A 2 4.461 -2.562 -4.082 1.00 60.40 O ATOM 16 CB GLU A 2 1.425 -2.142 -5.595 1.00 23.35 C ATOM 17 CG GLU A 2 2.350 -1.396 -6.543 1.00 11.21 C ATOM 18 CD GLU A 2 1.747 -0.098 -7.044 1.00 4.33 C ATOM 19 OE1 GLU A 2 1.240 0.681 -6.210 1.00 33.02 O ATOM 20 OE2 GLU A 2 1.785 0.138 -8.269 1.00 41.33 O1- ATOM 0 H GLU A 2 2.235 -0.397 -3.972 1.00 41.25 H new ATOM 0 HA GLU A 2 1.428 -3.174 -3.709 1.00 73.01 H new ATOM 0 HB2 GLU A 2 1.103 -3.069 -6.070 1.00 23.35 H new ATOM 0 HB3 GLU A 2 0.530 -1.543 -5.427 1.00 23.35 H new ATOM 0 HG2 GLU A 2 3.290 -1.183 -6.035 1.00 11.21 H new ATOM 0 HG3 GLU A 2 2.585 -2.036 -7.394 1.00 11.21 H new ATOM 27 N CYS A 3 3.426 -4.299 -5.070 1.00 42.14 N ATOM 28 CA CYS A 3 4.662 -5.025 -5.336 1.00 42.15 C ATOM 29 C CYS A 3 4.726 -5.475 -6.793 1.00 30.34 C ATOM 30 O CYS A 3 3.839 -5.168 -7.587 1.00 64.22 O ATOM 31 CB CYS A 3 4.774 -6.239 -4.411 1.00 34.30 C ATOM 32 SG CYS A 3 3.252 -7.235 -4.303 1.00 72.02 S ATOM 0 H CYS A 3 2.581 -4.773 -5.389 1.00 42.14 H new ATOM 0 HA CYS A 3 5.498 -4.352 -5.145 1.00 42.15 H new ATOM 0 HB2 CYS A 3 5.587 -6.875 -4.761 1.00 34.30 H new ATOM 0 HB3 CYS A 3 5.043 -5.897 -3.412 1.00 34.30 H new ATOM 37 N GLY A 4 5.783 -6.206 -7.135 1.00 4.44 N ATOM 38 CA GLY A 4 5.943 -6.687 -8.496 1.00 13.42 C ATOM 39 C GLY A 4 4.854 -7.662 -8.897 1.00 43.02 C ATOM 40 O GLY A 4 3.764 -7.657 -8.328 1.00 51.20 O ATOM 0 H GLY A 4 6.531 -6.474 -6.495 1.00 4.44 H new ATOM 0 HA2 GLY A 4 5.938 -5.839 -9.181 1.00 13.42 H new ATOM 0 HA3 GLY A 4 6.915 -7.171 -8.595 1.00 13.42 H new ATOM 44 N LYS A 5 5.150 -8.502 -9.883 1.00 14.14 N ATOM 45 CA LYS A 5 4.190 -9.488 -10.363 1.00 71.53 C ATOM 46 C LYS A 5 4.851 -10.468 -11.328 1.00 3.13 C ATOM 47 O LYS A 5 6.004 -10.287 -11.718 1.00 70.30 O ATOM 48 CB LYS A 5 3.014 -8.792 -11.053 1.00 45.22 C ATOM 49 CG LYS A 5 1.657 -9.229 -10.530 1.00 15.10 C ATOM 50 CD LYS A 5 0.581 -9.101 -11.596 1.00 72.00 C ATOM 51 CE LYS A 5 -0.439 -8.033 -11.233 1.00 3.34 C ATOM 52 NZ LYS A 5 -1.521 -7.929 -12.250 1.00 33.12 N1+ ATOM 0 H LYS A 5 6.048 -8.519 -10.366 1.00 14.14 H new ATOM 0 HA LYS A 5 3.821 -10.046 -9.503 1.00 71.53 H new ATOM 0 HB2 LYS A 5 3.114 -7.714 -10.924 1.00 45.22 H new ATOM 0 HB3 LYS A 5 3.063 -8.991 -12.124 1.00 45.22 H new ATOM 0 HG2 LYS A 5 1.713 -10.263 -10.190 1.00 15.10 H new ATOM 0 HG3 LYS A 5 1.387 -8.623 -9.665 1.00 15.10 H new ATOM 0 HD2 LYS A 5 1.042 -8.855 -12.552 1.00 72.00 H new ATOM 0 HD3 LYS A 5 0.077 -10.059 -11.722 1.00 72.00 H new ATOM 0 HE2 LYS A 5 -0.875 -8.263 -10.261 1.00 3.34 H new ATOM 0 HE3 LYS A 5 0.062 -7.070 -11.137 1.00 3.34 H new ATOM 0 HZ1 LYS A 5 -2.167 -7.156 -11.992 1.00 33.12 H new ATOM 0 HZ2 LYS A 5 -1.103 -7.734 -13.182 1.00 33.12 H new ATOM 0 HZ3 LYS A 5 -2.049 -8.824 -12.287 1.00 33.12 H new ATOM 66 N PHE A 6 4.112 -11.504 -11.711 1.00 1.44 N ATOM 67 CA PHE A 6 4.627 -12.512 -12.630 1.00 43.32 C ATOM 68 C PHE A 6 4.677 -11.971 -14.056 1.00 62.05 C ATOM 69 O PHE A 6 3.795 -11.225 -14.479 1.00 70.24 O ATOM 70 CB PHE A 6 3.758 -13.771 -12.579 1.00 24.12 C ATOM 71 CG PHE A 6 4.101 -14.778 -13.638 1.00 13.53 C ATOM 72 CD1 PHE A 6 5.401 -15.237 -13.782 1.00 75.24 C ATOM 73 CD2 PHE A 6 3.124 -15.267 -14.491 1.00 30.22 C ATOM 74 CE1 PHE A 6 5.720 -16.166 -14.755 1.00 25.35 C ATOM 75 CE2 PHE A 6 3.438 -16.196 -15.465 1.00 72.54 C ATOM 76 CZ PHE A 6 4.738 -16.644 -15.599 1.00 32.12 C ATOM 0 H PHE A 6 3.155 -11.667 -11.399 1.00 1.44 H new ATOM 0 HA PHE A 6 5.641 -12.767 -12.321 1.00 43.32 H new ATOM 0 HB2 PHE A 6 3.863 -14.236 -11.599 1.00 24.12 H new ATOM 0 HB3 PHE A 6 2.712 -13.485 -12.686 1.00 24.12 H new ATOM 0 HD1 PHE A 6 6.174 -14.864 -13.126 1.00 75.24 H new ATOM 0 HD2 PHE A 6 2.106 -14.918 -14.394 1.00 30.22 H new ATOM 0 HE1 PHE A 6 6.736 -16.517 -14.855 1.00 25.35 H new ATOM 0 HE2 PHE A 6 2.667 -16.572 -16.121 1.00 72.54 H new ATOM 0 HZ PHE A 6 4.985 -17.367 -16.363 1.00 32.12 H new ATOM 86 N MET A 7 5.715 -12.355 -14.791 1.00 43.35 N ATOM 87 CA MET A 7 5.881 -11.910 -16.170 1.00 21.13 C ATOM 88 C MET A 7 6.028 -10.393 -16.238 1.00 62.32 C ATOM 89 O MET A 7 5.797 -9.785 -17.283 1.00 44.50 O ATOM 90 CB MET A 7 4.689 -12.357 -17.019 1.00 61.22 C ATOM 91 CG MET A 7 4.967 -13.601 -17.847 1.00 50.33 C ATOM 92 SD MET A 7 3.745 -13.855 -19.150 1.00 74.33 S ATOM 93 CE MET A 7 4.613 -15.013 -20.206 1.00 44.25 C ATOM 0 H MET A 7 6.454 -12.973 -14.455 1.00 43.35 H new ATOM 0 HA MET A 7 6.790 -12.363 -16.565 1.00 21.13 H new ATOM 0 HB2 MET A 7 3.838 -12.548 -16.365 1.00 61.22 H new ATOM 0 HB3 MET A 7 4.402 -11.543 -17.685 1.00 61.22 H new ATOM 0 HG2 MET A 7 5.958 -13.521 -18.294 1.00 50.33 H new ATOM 0 HG3 MET A 7 4.981 -14.473 -17.193 1.00 50.33 H new ATOM 0 HE1 MET A 7 3.985 -15.268 -21.060 1.00 44.25 H new ATOM 0 HE2 MET A 7 5.539 -14.560 -20.559 1.00 44.25 H new ATOM 0 HE3 MET A 7 4.844 -15.917 -19.642 1.00 44.25 H new ATOM 103 N TRP A 8 6.413 -9.791 -15.119 1.00 34.43 N ATOM 104 CA TRP A 8 6.591 -8.344 -15.053 1.00 22.41 C ATOM 105 C TRP A 8 8.071 -7.978 -15.021 1.00 34.33 C ATOM 106 O TRP A 8 8.835 -8.511 -14.216 1.00 51.25 O ATOM 107 CB TRP A 8 5.887 -7.780 -13.818 1.00 44.33 C ATOM 108 CG TRP A 8 4.407 -7.622 -13.997 1.00 72.12 C ATOM 109 CD1 TRP A 8 3.598 -8.356 -14.818 1.00 44.44 C ATOM 110 CD2 TRP A 8 3.560 -6.670 -13.343 1.00 51.33 C ATOM 111 NE1 TRP A 8 2.300 -7.917 -14.714 1.00 14.23 N ATOM 112 CE2 TRP A 8 2.251 -6.884 -13.815 1.00 53.53 C ATOM 113 CE3 TRP A 8 3.781 -5.660 -12.404 1.00 73.15 C ATOM 114 CZ2 TRP A 8 1.169 -6.123 -13.379 1.00 54.31 C ATOM 115 CZ3 TRP A 8 2.708 -4.905 -11.973 1.00 13.31 C ATOM 116 CH2 TRP A 8 1.414 -5.140 -12.459 1.00 23.11 C ATOM 0 H TRP A 8 6.608 -10.281 -14.246 1.00 34.43 H new ATOM 0 HA TRP A 8 6.148 -7.907 -15.948 1.00 22.41 H new ATOM 0 HB2 TRP A 8 6.075 -8.438 -12.970 1.00 44.33 H new ATOM 0 HB3 TRP A 8 6.321 -6.811 -13.572 1.00 44.33 H new ATOM 0 HD1 TRP A 8 3.930 -9.163 -15.455 1.00 44.44 H new ATOM 0 HE1 TRP A 8 1.503 -8.298 -15.223 1.00 14.23 H new ATOM 0 HE3 TRP A 8 4.774 -5.473 -12.022 1.00 73.15 H new ATOM 0 HZ2 TRP A 8 0.172 -6.302 -13.754 1.00 54.31 H new ATOM 0 HZ3 TRP A 8 2.868 -4.120 -11.249 1.00 13.31 H new ATOM 0 HH2 TRP A 8 0.595 -4.534 -12.101 1.00 23.11 H new ATOM 127 N LYS A 9 8.468 -7.065 -15.900 1.00 21.41 N ATOM 128 CA LYS A 9 9.857 -6.625 -15.972 1.00 71.24 C ATOM 129 C LYS A 9 10.374 -6.229 -14.593 1.00 45.12 C ATOM 130 O LYS A 9 9.609 -5.796 -13.733 1.00 22.42 O ATOM 131 CB LYS A 9 9.990 -5.445 -16.937 1.00 71.41 C ATOM 132 CG LYS A 9 9.923 -5.846 -18.401 1.00 42.53 C ATOM 133 CD LYS A 9 8.491 -5.870 -18.907 1.00 21.25 C ATOM 134 CE LYS A 9 8.437 -5.974 -20.424 1.00 65.14 C ATOM 135 NZ LYS A 9 8.720 -4.666 -21.079 1.00 63.20 N1+ ATOM 0 H LYS A 9 7.848 -6.615 -16.573 1.00 21.41 H new ATOM 0 HA LYS A 9 10.457 -7.457 -16.340 1.00 71.24 H new ATOM 0 HB2 LYS A 9 9.198 -4.726 -16.729 1.00 71.41 H new ATOM 0 HB3 LYS A 9 10.937 -4.939 -16.751 1.00 71.41 H new ATOM 0 HG2 LYS A 9 10.509 -5.147 -18.998 1.00 42.53 H new ATOM 0 HG3 LYS A 9 10.372 -6.831 -18.530 1.00 42.53 H new ATOM 0 HD2 LYS A 9 7.962 -6.714 -18.464 1.00 21.25 H new ATOM 0 HD3 LYS A 9 7.975 -4.966 -18.585 1.00 21.25 H new ATOM 0 HE2 LYS A 9 9.161 -6.715 -20.763 1.00 65.14 H new ATOM 0 HE3 LYS A 9 7.452 -6.328 -20.729 1.00 65.14 H new ATOM 0 HZ1 LYS A 9 8.641 -4.770 -22.111 1.00 63.20 H new ATOM 0 HZ2 LYS A 9 8.035 -3.957 -20.749 1.00 63.20 H new ATOM 0 HZ3 LYS A 9 9.683 -4.357 -20.835 1.00 63.20 H new ATOM 149 N CYS A 10 11.679 -6.380 -14.390 1.00 44.41 N ATOM 150 CA CYS A 10 12.300 -6.037 -13.116 1.00 52.21 C ATOM 151 C CYS A 10 13.799 -5.813 -13.285 1.00 12.32 C ATOM 152 O CYS A 10 14.455 -6.491 -14.078 1.00 13.12 O ATOM 153 CB CYS A 10 12.051 -7.144 -12.090 1.00 5.43 C ATOM 154 SG CYS A 10 12.954 -8.689 -12.429 1.00 71.00 S ATOM 0 H CYS A 10 12.327 -6.738 -15.092 1.00 44.41 H new ATOM 0 HA CYS A 10 11.850 -5.111 -12.758 1.00 52.21 H new ATOM 0 HB2 CYS A 10 12.334 -6.780 -11.102 1.00 5.43 H new ATOM 0 HB3 CYS A 10 10.983 -7.360 -12.056 1.00 5.43 H new ATOM 159 N LYS A 11 14.337 -4.857 -12.535 1.00 64.42 N ATOM 160 CA LYS A 11 15.759 -4.542 -12.600 1.00 41.35 C ATOM 161 C LYS A 11 16.548 -5.387 -11.604 1.00 30.14 C ATOM 162 O LYS A 11 17.775 -5.453 -11.669 1.00 31.31 O ATOM 163 CB LYS A 11 15.988 -3.055 -12.317 1.00 1.10 C ATOM 164 CG LYS A 11 15.104 -2.137 -13.142 1.00 23.24 C ATOM 165 CD LYS A 11 13.904 -1.653 -12.345 1.00 22.43 C ATOM 166 CE LYS A 11 12.673 -1.503 -13.226 1.00 23.11 C ATOM 167 NZ LYS A 11 11.425 -1.391 -12.421 1.00 11.12 N1+ ATOM 0 H LYS A 11 13.809 -4.287 -11.875 1.00 64.42 H new ATOM 0 HA LYS A 11 16.111 -4.772 -13.606 1.00 41.35 H new ATOM 0 HB2 LYS A 11 15.810 -2.863 -11.259 1.00 1.10 H new ATOM 0 HB3 LYS A 11 17.033 -2.813 -12.513 1.00 1.10 H new ATOM 0 HG2 LYS A 11 15.685 -1.280 -13.482 1.00 23.24 H new ATOM 0 HG3 LYS A 11 14.762 -2.664 -14.033 1.00 23.24 H new ATOM 0 HD2 LYS A 11 13.693 -2.357 -11.540 1.00 22.43 H new ATOM 0 HD3 LYS A 11 14.138 -0.696 -11.879 1.00 22.43 H new ATOM 0 HE2 LYS A 11 12.781 -0.618 -13.853 1.00 23.11 H new ATOM 0 HE3 LYS A 11 12.598 -2.361 -13.895 1.00 23.11 H new ATOM 0 HZ1 LYS A 11 10.609 -1.290 -13.058 1.00 11.12 H new ATOM 0 HZ2 LYS A 11 11.308 -2.246 -11.841 1.00 11.12 H new ATOM 0 HZ3 LYS A 11 11.485 -0.558 -11.801 1.00 11.12 H new ATOM 181 N ASN A 12 15.836 -6.031 -10.687 1.00 51.45 N ATOM 182 CA ASN A 12 16.471 -6.872 -9.679 1.00 3.12 C ATOM 183 C ASN A 12 15.456 -7.815 -9.038 1.00 14.41 C ATOM 184 O ASN A 12 14.269 -7.779 -9.364 1.00 45.02 O ATOM 185 CB ASN A 12 17.128 -6.007 -8.602 1.00 2.42 C ATOM 186 CG ASN A 12 18.545 -5.608 -8.967 1.00 32.43 C ATOM 187 OD1 ASN A 12 19.456 -6.436 -8.964 1.00 31.00 O ATOM 188 ND2 ASN A 12 18.737 -4.332 -9.285 1.00 73.25 N ATOM 0 H ASN A 12 14.819 -5.987 -10.620 1.00 51.45 H new ATOM 0 HA ASN A 12 17.237 -7.470 -10.173 1.00 3.12 H new ATOM 0 HB2 ASN A 12 16.530 -5.110 -8.445 1.00 2.42 H new ATOM 0 HB3 ASN A 12 17.138 -6.552 -7.658 1.00 2.42 H new ATOM 0 HD21 ASN A 12 19.669 -4.005 -9.540 1.00 73.25 H new ATOM 0 HD22 ASN A 12 17.953 -3.680 -9.274 1.00 73.25 H new ATOM 195 N SER A 13 15.930 -8.658 -8.127 1.00 15.42 N ATOM 196 CA SER A 13 15.066 -9.611 -7.444 1.00 2.01 C ATOM 197 C SER A 13 14.221 -8.915 -6.380 1.00 64.12 C ATOM 198 O SER A 13 13.310 -9.511 -5.808 1.00 55.22 O ATOM 199 CB SER A 13 15.901 -10.721 -6.801 1.00 4.24 C ATOM 200 OG SER A 13 16.292 -10.367 -5.486 1.00 14.12 O ATOM 0 H SER A 13 16.909 -8.700 -7.845 1.00 15.42 H new ATOM 0 HA SER A 13 14.398 -10.051 -8.184 1.00 2.01 H new ATOM 0 HB2 SER A 13 15.325 -11.646 -6.776 1.00 4.24 H new ATOM 0 HB3 SER A 13 16.786 -10.913 -7.408 1.00 4.24 H new ATOM 0 HG SER A 13 16.823 -11.093 -5.096 1.00 14.12 H new ATOM 206 N ASN A 14 14.533 -7.648 -6.123 1.00 2.51 N ATOM 207 CA ASN A 14 13.803 -6.869 -5.128 1.00 2.11 C ATOM 208 C ASN A 14 12.402 -6.527 -5.625 1.00 40.21 C ATOM 209 O ASN A 14 11.474 -6.366 -4.833 1.00 72.22 O ATOM 210 CB ASN A 14 14.567 -5.586 -4.796 1.00 71.03 C ATOM 211 CG ASN A 14 14.265 -5.078 -3.399 1.00 13.31 C ATOM 212 OD1 ASN A 14 13.618 -4.045 -3.229 1.00 35.41 O ATOM 213 ND2 ASN A 14 14.734 -5.805 -2.391 1.00 13.12 N ATOM 0 H ASN A 14 15.285 -7.140 -6.589 1.00 2.51 H new ATOM 0 HA ASN A 14 13.710 -7.473 -4.225 1.00 2.11 H new ATOM 0 HB2 ASN A 14 15.637 -5.769 -4.889 1.00 71.03 H new ATOM 0 HB3 ASN A 14 14.311 -4.815 -5.523 1.00 71.03 H new ATOM 0 HD21 ASN A 14 14.562 -5.513 -1.429 1.00 13.12 H new ATOM 0 HD22 ASN A 14 15.266 -6.655 -2.579 1.00 13.12 H new ATOM 220 N ASP A 15 12.259 -6.416 -6.942 1.00 65.41 N ATOM 221 CA ASP A 15 10.972 -6.095 -7.546 1.00 74.11 C ATOM 222 C ASP A 15 9.974 -7.231 -7.338 1.00 3.03 C ATOM 223 O ASP A 15 8.766 -7.007 -7.273 1.00 52.11 O ATOM 224 CB ASP A 15 11.141 -5.814 -9.040 1.00 34.42 C ATOM 225 CG ASP A 15 10.142 -4.796 -9.555 1.00 12.24 C ATOM 226 OD1 ASP A 15 10.194 -3.634 -9.102 1.00 30.12 O ATOM 227 OD2 ASP A 15 9.309 -5.162 -10.409 1.00 11.11 O1- ATOM 0 H ASP A 15 13.019 -6.544 -7.611 1.00 65.41 H new ATOM 0 HA ASP A 15 10.583 -5.201 -7.058 1.00 74.11 H new ATOM 0 HB2 ASP A 15 12.152 -5.453 -9.227 1.00 34.42 H new ATOM 0 HB3 ASP A 15 11.027 -6.744 -9.597 1.00 34.42 H new ATOM 232 N CYS A 16 10.490 -8.452 -7.235 1.00 23.35 N ATOM 233 CA CYS A 16 9.646 -9.623 -7.036 1.00 33.41 C ATOM 234 C CYS A 16 8.879 -9.524 -5.721 1.00 13.44 C ATOM 235 O CYS A 16 9.467 -9.316 -4.660 1.00 13.33 O ATOM 236 CB CYS A 16 10.494 -10.896 -7.050 1.00 65.34 C ATOM 237 SG CYS A 16 11.273 -11.254 -8.657 1.00 62.13 S ATOM 0 H CYS A 16 11.488 -8.655 -7.286 1.00 23.35 H new ATOM 0 HA CYS A 16 8.926 -9.664 -7.853 1.00 33.41 H new ATOM 0 HB2 CYS A 16 11.273 -10.809 -6.292 1.00 65.34 H new ATOM 0 HB3 CYS A 16 9.866 -11.741 -6.767 1.00 65.34 H new ATOM 242 N CYS A 17 7.560 -9.676 -5.799 1.00 51.51 N ATOM 243 CA CYS A 17 6.711 -9.603 -4.616 1.00 14.30 C ATOM 244 C CYS A 17 6.873 -10.851 -3.753 1.00 34.03 C ATOM 245 O CYS A 17 7.331 -10.777 -2.613 1.00 53.55 O ATOM 246 CB CYS A 17 5.246 -9.439 -5.024 1.00 32.13 C ATOM 247 SG CYS A 17 4.133 -9.011 -3.647 1.00 71.00 S ATOM 0 H CYS A 17 7.057 -9.850 -6.669 1.00 51.51 H new ATOM 0 HA CYS A 17 7.018 -8.736 -4.032 1.00 14.30 H new ATOM 0 HB2 CYS A 17 5.177 -8.664 -5.787 1.00 32.13 H new ATOM 0 HB3 CYS A 17 4.901 -10.367 -5.481 1.00 32.13 H new ATOM 252 N LYS A 18 6.491 -11.999 -4.305 1.00 2.41 N ATOM 253 CA LYS A 18 6.595 -13.264 -3.589 1.00 32.05 C ATOM 254 C LYS A 18 6.511 -14.444 -4.553 1.00 15.02 C ATOM 255 O LYS A 18 5.705 -14.439 -5.484 1.00 34.32 O ATOM 256 CB LYS A 18 5.488 -13.371 -2.537 1.00 73.25 C ATOM 257 CG LYS A 18 5.926 -14.071 -1.262 1.00 5.22 C ATOM 258 CD LYS A 18 6.875 -13.206 -0.450 1.00 54.05 C ATOM 259 CE LYS A 18 6.124 -12.328 0.538 1.00 51.15 C ATOM 260 NZ LYS A 18 5.559 -13.120 1.666 1.00 61.42 N1+ ATOM 0 H LYS A 18 6.107 -12.078 -5.246 1.00 2.41 H new ATOM 0 HA LYS A 18 7.564 -13.292 -3.092 1.00 32.05 H new ATOM 0 HB2 LYS A 18 5.136 -12.370 -2.289 1.00 73.25 H new ATOM 0 HB3 LYS A 18 4.642 -13.909 -2.965 1.00 73.25 H new ATOM 0 HG2 LYS A 18 5.050 -14.316 -0.661 1.00 5.22 H new ATOM 0 HG3 LYS A 18 6.414 -15.013 -1.512 1.00 5.22 H new ATOM 0 HD2 LYS A 18 7.578 -13.842 0.088 1.00 54.05 H new ATOM 0 HD3 LYS A 18 7.462 -12.579 -1.121 1.00 54.05 H new ATOM 0 HE2 LYS A 18 6.797 -11.566 0.931 1.00 51.15 H new ATOM 0 HE3 LYS A 18 5.318 -11.807 0.021 1.00 51.15 H new ATOM 0 HZ1 LYS A 18 5.329 -12.484 2.456 1.00 61.42 H new ATOM 0 HZ2 LYS A 18 4.696 -13.607 1.350 1.00 61.42 H new ATOM 0 HZ3 LYS A 18 6.258 -13.823 1.981 1.00 61.42 H new ATOM 274 N ASP A 19 7.345 -15.452 -4.321 1.00 60.05 N ATOM 275 CA ASP A 19 7.362 -16.639 -5.167 1.00 34.00 C ATOM 276 C ASP A 19 7.815 -16.292 -6.582 1.00 62.31 C ATOM 277 O ASP A 19 7.591 -17.055 -7.523 1.00 74.31 O ATOM 278 CB ASP A 19 5.975 -17.283 -5.206 1.00 44.15 C ATOM 279 CG ASP A 19 5.978 -18.697 -4.659 1.00 0.10 C ATOM 280 OD1 ASP A 19 6.160 -18.858 -3.434 1.00 21.34 O1- ATOM 281 OD2 ASP A 19 5.799 -19.643 -5.455 1.00 31.11 O ATOM 0 H ASP A 19 8.018 -15.470 -3.554 1.00 60.05 H new ATOM 0 HA ASP A 19 8.072 -17.348 -4.741 1.00 34.00 H new ATOM 0 HB2 ASP A 19 5.279 -16.675 -4.629 1.00 44.15 H new ATOM 0 HB3 ASP A 19 5.612 -17.295 -6.234 1.00 44.15 H new ATOM 286 N LEU A 20 8.455 -15.136 -6.726 1.00 15.45 N ATOM 287 CA LEU A 20 8.939 -14.687 -8.025 1.00 3.34 C ATOM 288 C LEU A 20 10.445 -14.445 -7.992 1.00 15.22 C ATOM 289 O LEU A 20 11.015 -14.161 -6.939 1.00 54.12 O ATOM 290 CB LEU A 20 8.215 -13.406 -8.447 1.00 32.33 C ATOM 291 CG LEU A 20 6.936 -13.597 -9.263 1.00 1.30 C ATOM 292 CD1 LEU A 20 6.168 -14.815 -8.776 1.00 64.44 C ATOM 293 CD2 LEU A 20 6.066 -12.351 -9.189 1.00 74.21 C ATOM 0 H LEU A 20 8.650 -14.493 -5.958 1.00 15.45 H new ATOM 0 HA LEU A 20 8.731 -15.472 -8.753 1.00 3.34 H new ATOM 0 HB2 LEU A 20 7.968 -12.839 -7.549 1.00 32.33 H new ATOM 0 HB3 LEU A 20 8.906 -12.796 -9.029 1.00 32.33 H new ATOM 0 HG LEU A 20 7.214 -13.761 -10.304 1.00 1.30 H new ATOM 0 HD11 LEU A 20 5.261 -14.934 -9.369 1.00 64.44 H new ATOM 0 HD12 LEU A 20 6.790 -15.704 -8.882 1.00 64.44 H new ATOM 0 HD13 LEU A 20 5.901 -14.682 -7.728 1.00 64.44 H new ATOM 0 HD21 LEU A 20 5.160 -12.504 -9.775 1.00 74.21 H new ATOM 0 HD22 LEU A 20 5.798 -12.156 -8.151 1.00 74.21 H new ATOM 0 HD23 LEU A 20 6.616 -11.499 -9.588 1.00 74.21 H new ATOM 305 N VAL A 21 11.083 -14.557 -9.152 1.00 12.02 N ATOM 306 CA VAL A 21 12.522 -14.347 -9.256 1.00 44.43 C ATOM 307 C VAL A 21 12.883 -13.646 -10.560 1.00 71.53 C ATOM 308 O VAL A 21 12.481 -14.077 -11.642 1.00 64.04 O ATOM 309 CB VAL A 21 13.291 -15.680 -9.173 1.00 20.32 C ATOM 310 CG1 VAL A 21 13.121 -16.310 -7.799 1.00 31.34 C ATOM 311 CG2 VAL A 21 12.829 -16.631 -10.267 1.00 70.34 C ATOM 0 H VAL A 21 10.626 -14.792 -10.033 1.00 12.02 H new ATOM 0 HA VAL A 21 12.811 -13.716 -8.416 1.00 44.43 H new ATOM 0 HB VAL A 21 14.351 -15.478 -9.324 1.00 20.32 H new ATOM 0 HG11 VAL A 21 13.671 -17.250 -7.759 1.00 31.34 H new ATOM 0 HG12 VAL A 21 13.506 -15.632 -7.038 1.00 31.34 H new ATOM 0 HG13 VAL A 21 12.064 -16.500 -7.614 1.00 31.34 H new ATOM 0 HG21 VAL A 21 13.383 -17.567 -10.193 1.00 70.34 H new ATOM 0 HG22 VAL A 21 11.764 -16.829 -10.151 1.00 70.34 H new ATOM 0 HG23 VAL A 21 13.009 -16.179 -11.242 1.00 70.34 H new ATOM 321 N CYS A 22 13.644 -12.562 -10.453 1.00 50.54 N ATOM 322 CA CYS A 22 14.059 -11.798 -11.623 1.00 71.21 C ATOM 323 C CYS A 22 14.889 -12.662 -12.568 1.00 73.43 C ATOM 324 O CYS A 22 16.000 -13.075 -12.235 1.00 44.52 O ATOM 325 CB CYS A 22 14.866 -10.570 -11.197 1.00 74.43 C ATOM 326 SG CYS A 22 14.858 -9.216 -12.416 1.00 14.40 S ATOM 0 H CYS A 22 13.986 -12.192 -9.566 1.00 50.54 H new ATOM 0 HA CYS A 22 13.163 -11.470 -12.149 1.00 71.21 H new ATOM 0 HB2 CYS A 22 14.469 -10.197 -10.253 1.00 74.43 H new ATOM 0 HB3 CYS A 22 15.897 -10.872 -11.012 1.00 74.43 H new ATOM 331 N SER A 23 14.342 -12.931 -13.750 1.00 64.24 N ATOM 332 CA SER A 23 15.029 -13.749 -14.742 1.00 31.22 C ATOM 333 C SER A 23 15.484 -12.899 -15.925 1.00 73.33 C ATOM 334 O SER A 23 14.663 -12.389 -16.689 1.00 61.23 O ATOM 335 CB SER A 23 14.114 -14.874 -15.230 1.00 40.14 C ATOM 336 OG SER A 23 14.417 -16.096 -14.580 1.00 31.01 O ATOM 0 H SER A 23 13.425 -12.594 -14.043 1.00 64.24 H new ATOM 0 HA SER A 23 15.909 -14.186 -14.270 1.00 31.22 H new ATOM 0 HB2 SER A 23 13.074 -14.608 -15.044 1.00 40.14 H new ATOM 0 HB3 SER A 23 14.224 -14.995 -16.308 1.00 40.14 H new ATOM 0 HG SER A 23 14.363 -16.832 -15.225 1.00 31.01 H new ATOM 342 N SER A 24 16.796 -12.752 -16.070 1.00 1.30 N ATOM 343 CA SER A 24 17.361 -11.960 -17.157 1.00 51.40 C ATOM 344 C SER A 24 17.114 -12.633 -18.503 1.00 24.35 C ATOM 345 O SER A 24 17.300 -12.024 -19.557 1.00 53.40 O ATOM 346 CB SER A 24 18.862 -11.760 -16.942 1.00 44.52 C ATOM 347 OG SER A 24 19.571 -12.974 -17.121 1.00 33.02 O ATOM 0 H SER A 24 17.488 -13.171 -15.449 1.00 1.30 H new ATOM 0 HA SER A 24 16.869 -10.988 -17.161 1.00 51.40 H new ATOM 0 HB2 SER A 24 19.236 -11.011 -17.640 1.00 44.52 H new ATOM 0 HB3 SER A 24 19.040 -11.376 -15.938 1.00 44.52 H new ATOM 0 HG SER A 24 20.528 -12.818 -16.980 1.00 33.02 H new ATOM 353 N ARG A 25 16.695 -13.893 -18.460 1.00 75.21 N ATOM 354 CA ARG A 25 16.424 -14.650 -19.676 1.00 43.25 C ATOM 355 C ARG A 25 15.147 -14.156 -20.351 1.00 61.22 C ATOM 356 O ARG A 25 15.118 -13.942 -21.563 1.00 1.33 O ATOM 357 CB ARG A 25 16.299 -16.142 -19.357 1.00 4.34 C ATOM 358 CG ARG A 25 15.626 -16.946 -20.457 1.00 65.22 C ATOM 359 CD ARG A 25 15.907 -18.433 -20.311 1.00 1.10 C ATOM 360 NE ARG A 25 15.406 -19.200 -21.449 1.00 14.51 N ATOM 361 CZ ARG A 25 15.359 -20.527 -21.479 1.00 61.34 C ATOM 362 NH1 ARG A 25 15.779 -21.231 -20.437 1.00 4.04 N1+ ATOM 363 NH2 ARG A 25 14.890 -21.151 -22.551 1.00 71.15 N ATOM 0 H ARG A 25 16.536 -14.411 -17.596 1.00 75.21 H new ATOM 0 HA ARG A 25 17.259 -14.500 -20.360 1.00 43.25 H new ATOM 0 HB2 ARG A 25 17.293 -16.551 -19.176 1.00 4.34 H new ATOM 0 HB3 ARG A 25 15.733 -16.261 -18.433 1.00 4.34 H new ATOM 0 HG2 ARG A 25 14.550 -16.773 -20.429 1.00 65.22 H new ATOM 0 HG3 ARG A 25 15.979 -16.602 -21.429 1.00 65.22 H new ATOM 0 HD2 ARG A 25 16.981 -18.591 -20.212 1.00 1.10 H new ATOM 0 HD3 ARG A 25 15.445 -18.801 -19.395 1.00 1.10 H new ATOM 0 HE ARG A 25 15.074 -18.688 -22.266 1.00 14.51 H new ATOM 0 HH11 ARG A 25 16.139 -20.754 -19.611 1.00 4.04 H new ATOM 0 HH12 ARG A 25 15.742 -22.250 -20.462 1.00 4.04 H new ATOM 0 HH21 ARG A 25 14.565 -20.612 -23.354 1.00 71.15 H new ATOM 0 HH22 ARG A 25 14.854 -22.170 -22.573 1.00 71.15 H new ATOM 377 N TRP A 26 14.097 -13.978 -19.559 1.00 21.33 N ATOM 378 CA TRP A 26 12.818 -13.508 -20.080 1.00 11.24 C ATOM 379 C TRP A 26 12.683 -11.998 -19.916 1.00 12.14 C ATOM 380 O TRP A 26 11.715 -11.397 -20.381 1.00 65.35 O ATOM 381 CB TRP A 26 11.664 -14.216 -19.368 1.00 62.44 C ATOM 382 CG TRP A 26 11.897 -15.684 -19.173 1.00 50.52 C ATOM 383 CD1 TRP A 26 12.360 -16.297 -18.044 1.00 3.34 C ATOM 384 CD2 TRP A 26 11.679 -16.721 -20.136 1.00 24.03 C ATOM 385 NE1 TRP A 26 12.443 -17.654 -18.246 1.00 52.52 N ATOM 386 CE2 TRP A 26 12.031 -17.940 -19.520 1.00 21.43 C ATOM 387 CE3 TRP A 26 11.220 -16.741 -21.455 1.00 45.11 C ATOM 388 CZ2 TRP A 26 11.938 -19.161 -20.183 1.00 0.31 C ATOM 389 CZ3 TRP A 26 11.129 -17.954 -22.110 1.00 40.20 C ATOM 390 CH2 TRP A 26 11.485 -19.150 -21.474 1.00 42.31 C ATOM 0 H TRP A 26 14.105 -14.152 -18.554 1.00 21.33 H new ATOM 0 HA TRP A 26 12.779 -13.743 -21.144 1.00 11.24 H new ATOM 0 HB2 TRP A 26 11.505 -13.749 -18.396 1.00 62.44 H new ATOM 0 HB3 TRP A 26 10.749 -14.074 -19.944 1.00 62.44 H new ATOM 0 HD1 TRP A 26 12.622 -15.790 -17.127 1.00 3.34 H new ATOM 0 HE1 TRP A 26 12.760 -18.337 -17.558 1.00 52.52 H new ATOM 0 HE3 TRP A 26 10.941 -15.825 -21.954 1.00 45.11 H new ATOM 0 HZ2 TRP A 26 12.214 -20.084 -19.695 1.00 0.31 H new ATOM 0 HZ3 TRP A 26 10.777 -17.980 -23.131 1.00 40.20 H new ATOM 0 HH2 TRP A 26 11.400 -20.082 -22.013 1.00 42.31 H new ATOM 401 N LYS A 27 13.660 -11.391 -19.252 1.00 43.14 N ATOM 402 CA LYS A 27 13.653 -9.951 -19.026 1.00 71.25 C ATOM 403 C LYS A 27 12.559 -9.560 -18.038 1.00 75.02 C ATOM 404 O LYS A 27 12.078 -8.426 -18.046 1.00 43.34 O ATOM 405 CB LYS A 27 13.448 -9.208 -20.349 1.00 41.51 C ATOM 406 CG LYS A 27 14.263 -9.777 -21.498 1.00 33.01 C ATOM 407 CD LYS A 27 15.748 -9.786 -21.178 1.00 24.01 C ATOM 408 CE LYS A 27 16.554 -10.433 -22.294 1.00 21.54 C ATOM 409 NZ LYS A 27 18.016 -10.406 -22.009 1.00 72.21 N1+ ATOM 0 H LYS A 27 14.468 -11.875 -18.860 1.00 43.14 H new ATOM 0 HA LYS A 27 14.618 -9.670 -18.603 1.00 71.25 H new ATOM 0 HB2 LYS A 27 12.391 -9.239 -20.614 1.00 41.51 H new ATOM 0 HB3 LYS A 27 13.711 -8.159 -20.212 1.00 41.51 H new ATOM 0 HG2 LYS A 27 13.930 -10.792 -21.713 1.00 33.01 H new ATOM 0 HG3 LYS A 27 14.087 -9.187 -22.397 1.00 33.01 H new ATOM 0 HD2 LYS A 27 16.094 -8.764 -21.023 1.00 24.01 H new ATOM 0 HD3 LYS A 27 15.917 -10.325 -20.246 1.00 24.01 H new ATOM 0 HE2 LYS A 27 16.229 -11.465 -22.426 1.00 21.54 H new ATOM 0 HE3 LYS A 27 16.357 -9.914 -23.232 1.00 21.54 H new ATOM 0 HZ1 LYS A 27 18.532 -10.841 -22.800 1.00 72.21 H new ATOM 0 HZ2 LYS A 27 18.329 -9.421 -21.891 1.00 72.21 H new ATOM 0 HZ3 LYS A 27 18.209 -10.937 -21.136 1.00 72.21 H new ATOM 423 N TRP A 28 12.172 -10.504 -17.188 1.00 25.15 N ATOM 424 CA TRP A 28 11.135 -10.257 -16.192 1.00 74.44 C ATOM 425 C TRP A 28 11.124 -11.356 -15.135 1.00 44.12 C ATOM 426 O TRP A 28 11.775 -12.389 -15.292 1.00 32.41 O ATOM 427 CB TRP A 28 9.764 -10.166 -16.864 1.00 20.43 C ATOM 428 CG TRP A 28 9.382 -11.412 -17.604 1.00 62.43 C ATOM 429 CD1 TRP A 28 9.299 -12.676 -17.093 1.00 11.34 C ATOM 430 CD2 TRP A 28 9.031 -11.513 -18.989 1.00 52.54 C ATOM 431 NE1 TRP A 28 8.918 -13.556 -18.076 1.00 72.13 N ATOM 432 CE2 TRP A 28 8.747 -12.869 -19.249 1.00 45.42 C ATOM 433 CE3 TRP A 28 8.928 -10.591 -20.033 1.00 64.25 C ATOM 434 CZ2 TRP A 28 8.368 -13.321 -20.509 1.00 13.35 C ATOM 435 CZ3 TRP A 28 8.552 -11.042 -21.285 1.00 13.32 C ATOM 436 CH2 TRP A 28 8.275 -12.395 -21.514 1.00 71.13 C ATOM 0 H TRP A 28 12.560 -11.447 -17.168 1.00 25.15 H new ATOM 0 HA TRP A 28 11.355 -9.308 -15.702 1.00 74.44 H new ATOM 0 HB2 TRP A 28 9.009 -9.956 -16.106 1.00 20.43 H new ATOM 0 HB3 TRP A 28 9.762 -9.325 -17.557 1.00 20.43 H new ATOM 0 HD1 TRP A 28 9.503 -12.944 -16.067 1.00 11.34 H new ATOM 0 HE1 TRP A 28 8.784 -14.560 -17.953 1.00 72.13 H new ATOM 0 HE3 TRP A 28 9.138 -9.545 -19.866 1.00 64.25 H new ATOM 0 HZ2 TRP A 28 8.155 -14.364 -20.688 1.00 13.35 H new ATOM 0 HZ3 TRP A 28 8.471 -10.338 -22.100 1.00 13.32 H new ATOM 0 HH2 TRP A 28 7.982 -12.715 -22.503 1.00 71.13 H new ATOM 447 N CYS A 29 10.381 -11.126 -14.057 1.00 34.14 N ATOM 448 CA CYS A 29 10.285 -12.096 -12.973 1.00 4.32 C ATOM 449 C CYS A 29 9.492 -13.325 -13.410 1.00 65.42 C ATOM 450 O CYS A 29 8.458 -13.207 -14.066 1.00 54.55 O ATOM 451 CB CYS A 29 9.626 -11.459 -11.748 1.00 2.32 C ATOM 452 SG CYS A 29 10.805 -10.815 -10.518 1.00 13.01 S ATOM 0 H CYS A 29 9.837 -10.276 -13.911 1.00 34.14 H new ATOM 0 HA CYS A 29 11.295 -12.412 -12.711 1.00 4.32 H new ATOM 0 HB2 CYS A 29 8.981 -10.645 -12.078 1.00 2.32 H new ATOM 0 HB3 CYS A 29 8.985 -12.199 -11.268 1.00 2.32 H new ATOM 457 N VAL A 30 9.986 -14.503 -13.041 1.00 54.32 N ATOM 458 CA VAL A 30 9.324 -15.753 -13.393 1.00 70.23 C ATOM 459 C VAL A 30 9.038 -16.592 -12.153 1.00 25.44 C ATOM 460 O VAL A 30 9.719 -16.467 -11.135 1.00 2.32 O ATOM 461 CB VAL A 30 10.174 -16.581 -14.376 1.00 41.32 C ATOM 462 CG1 VAL A 30 10.155 -15.951 -15.761 1.00 55.45 C ATOM 463 CG2 VAL A 30 11.599 -16.716 -13.863 1.00 33.45 C ATOM 0 H VAL A 30 10.842 -14.617 -12.499 1.00 54.32 H new ATOM 0 HA VAL A 30 8.382 -15.488 -13.873 1.00 70.23 H new ATOM 0 HB VAL A 30 9.742 -17.579 -14.451 1.00 41.32 H new ATOM 0 HG11 VAL A 30 10.761 -16.550 -16.441 1.00 55.45 H new ATOM 0 HG12 VAL A 30 9.130 -15.910 -16.128 1.00 55.45 H new ATOM 0 HG13 VAL A 30 10.561 -14.941 -15.707 1.00 55.45 H new ATOM 0 HG21 VAL A 30 12.186 -17.304 -14.569 1.00 33.45 H new ATOM 0 HG22 VAL A 30 12.043 -15.726 -13.758 1.00 33.45 H new ATOM 0 HG23 VAL A 30 11.591 -17.215 -12.894 1.00 33.45 H new ATOM 473 N LEU A 31 8.026 -17.448 -12.245 1.00 4.15 N ATOM 474 CA LEU A 31 7.649 -18.310 -11.130 1.00 75.23 C ATOM 475 C LEU A 31 8.835 -19.151 -10.667 1.00 50.02 C ATOM 476 O LEU A 31 9.323 -20.011 -11.401 1.00 22.54 O ATOM 477 CB LEU A 31 6.489 -19.222 -11.534 1.00 61.45 C ATOM 478 CG LEU A 31 5.117 -18.849 -10.974 1.00 2.24 C ATOM 479 CD1 LEU A 31 5.120 -18.927 -9.456 1.00 35.22 C ATOM 480 CD2 LEU A 31 4.712 -17.457 -11.437 1.00 41.33 C ATOM 0 H LEU A 31 7.452 -17.564 -13.080 1.00 4.15 H new ATOM 0 HA LEU A 31 7.332 -17.675 -10.303 1.00 75.23 H new ATOM 0 HB2 LEU A 31 6.424 -19.234 -12.622 1.00 61.45 H new ATOM 0 HB3 LEU A 31 6.725 -20.238 -11.218 1.00 61.45 H new ATOM 0 HG LEU A 31 4.386 -19.563 -11.352 1.00 2.24 H new ATOM 0 HD11 LEU A 31 4.134 -18.658 -9.076 1.00 35.22 H new ATOM 0 HD12 LEU A 31 5.364 -19.943 -9.144 1.00 35.22 H new ATOM 0 HD13 LEU A 31 5.863 -18.237 -9.058 1.00 35.22 H new ATOM 0 HD21 LEU A 31 3.732 -17.208 -11.029 1.00 41.33 H new ATOM 0 HD22 LEU A 31 5.446 -16.730 -11.089 1.00 41.33 H new ATOM 0 HD23 LEU A 31 4.667 -17.434 -12.526 1.00 41.33 H new ATOM 492 N ALA A 32 9.292 -18.898 -9.446 1.00 4.33 N ATOM 493 CA ALA A 32 10.417 -19.634 -8.883 1.00 15.15 C ATOM 494 C ALA A 32 10.181 -21.139 -8.956 1.00 55.54 C ATOM 495 O ALA A 32 9.047 -21.591 -9.110 1.00 73.11 O ATOM 496 CB ALA A 32 10.663 -19.205 -7.444 1.00 71.52 C ATOM 0 H ALA A 32 8.900 -18.188 -8.827 1.00 4.33 H new ATOM 0 HA ALA A 32 11.302 -19.403 -9.475 1.00 15.15 H new ATOM 0 HB1 ALA A 32 11.506 -19.763 -7.037 1.00 71.52 H new ATOM 0 HB2 ALA A 32 10.886 -18.138 -7.415 1.00 71.52 H new ATOM 0 HB3 ALA A 32 9.773 -19.406 -6.847 1.00 71.52 H new ATOM 502 N SER A 33 11.258 -21.909 -8.845 1.00 5.52 N ATOM 503 CA SER A 33 11.167 -23.362 -8.903 1.00 3.12 C ATOM 504 C SER A 33 10.350 -23.903 -7.734 1.00 20.44 C ATOM 505 O SER A 33 10.158 -23.236 -6.717 1.00 14.20 O ATOM 506 CB SER A 33 12.566 -23.983 -8.892 1.00 12.34 C ATOM 507 OG SER A 33 13.077 -24.112 -10.207 1.00 42.23 O ATOM 0 H SER A 33 12.204 -21.550 -8.714 1.00 5.52 H new ATOM 0 HA SER A 33 10.664 -23.632 -9.831 1.00 3.12 H new ATOM 0 HB2 SER A 33 13.237 -23.364 -8.297 1.00 12.34 H new ATOM 0 HB3 SER A 33 12.529 -24.962 -8.415 1.00 12.34 H new ATOM 0 HG SER A 33 13.972 -24.509 -10.173 1.00 42.23 H new ATOM 513 N PRO A 34 9.856 -25.141 -7.881 1.00 13.32 N ATOM 514 CA PRO A 34 9.051 -25.801 -6.847 1.00 50.50 C ATOM 515 C PRO A 34 9.875 -26.169 -5.619 1.00 43.10 C ATOM 516 O PRO A 34 9.334 -26.353 -4.528 1.00 12.32 O ATOM 517 CB PRO A 34 8.540 -27.062 -7.547 1.00 41.21 C ATOM 518 CG PRO A 34 9.544 -27.338 -8.613 1.00 4.12 C ATOM 519 CD PRO A 34 10.045 -25.994 -9.067 1.00 51.01 C ATOM 0 HA PRO A 34 8.258 -25.154 -6.473 1.00 50.50 H new ATOM 0 HB2 PRO A 34 8.462 -27.897 -6.851 1.00 41.21 H new ATOM 0 HB3 PRO A 34 7.547 -26.906 -7.969 1.00 41.21 H new ATOM 0 HG2 PRO A 34 10.361 -27.950 -8.231 1.00 4.12 H new ATOM 0 HG3 PRO A 34 9.094 -27.887 -9.440 1.00 4.12 H new ATOM 0 HD2 PRO A 34 11.091 -26.036 -9.369 1.00 51.01 H new ATOM 0 HD3 PRO A 34 9.481 -25.623 -9.923 1.00 51.01 H new ATOM 527 N PHE A 35 11.187 -26.276 -5.801 1.00 64.13 N ATOM 528 CA PHE A 35 12.085 -26.623 -4.707 1.00 72.03 C ATOM 529 C PHE A 35 13.322 -25.728 -4.713 1.00 44.31 C ATOM 530 O PHE A 35 14.227 -25.909 -5.528 1.00 62.35 O ATOM 531 CB PHE A 35 12.504 -28.091 -4.809 1.00 53.23 C ATOM 532 CG PHE A 35 13.158 -28.617 -3.563 1.00 63.23 C ATOM 533 CD1 PHE A 35 14.450 -28.242 -3.233 1.00 33.02 C ATOM 534 CD2 PHE A 35 12.480 -29.484 -2.722 1.00 5.32 C ATOM 535 CE1 PHE A 35 15.055 -28.723 -2.086 1.00 33.23 C ATOM 536 CE2 PHE A 35 13.078 -29.968 -1.575 1.00 42.13 C ATOM 537 CZ PHE A 35 14.368 -29.589 -1.257 1.00 1.41 C ATOM 0 H PHE A 35 11.652 -26.127 -6.697 1.00 64.13 H new ATOM 0 HA PHE A 35 11.551 -26.469 -3.769 1.00 72.03 H new ATOM 0 HB2 PHE A 35 11.625 -28.696 -5.032 1.00 53.23 H new ATOM 0 HB3 PHE A 35 13.191 -28.207 -5.647 1.00 53.23 H new ATOM 0 HD1 PHE A 35 14.991 -27.566 -3.879 1.00 33.02 H new ATOM 0 HD2 PHE A 35 11.472 -29.785 -2.966 1.00 5.32 H new ATOM 0 HE1 PHE A 35 16.062 -28.422 -1.839 1.00 33.23 H new ATOM 0 HE2 PHE A 35 12.538 -30.642 -0.927 1.00 42.13 H new ATOM 0 HZ PHE A 35 14.838 -29.969 -0.362 1.00 1.41 H new TER 547 PHE A 35