USER MOD reduce.3.24.130724 H: found=0, std=0, add=310, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 280 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 2 SER OG : rot 13:sc= 0.405 USER MOD Single : A 3 GLN : amide:sc= -0.137 K(o=-0.14,f=-2.4!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 67:sc= 0.518 USER MOD Single : A 15 ASN : amide:sc= -1.9! C(o=-1.9!,f=-3.3!) USER MOD Single : A 16 LYS NZ :NH3+ -144:sc= 0.0324 (180deg=-0.00262) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 64:sc= 1.28 USER MOD Single : A 36 THR OG1 : rot -10:sc= -0.252 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 1.443 22.517 8.169 1.00 13.23 N ATOM 9 CA SER A 2 2.283 23.346 7.311 1.00 60.31 C ATOM 10 C SER A 2 3.623 22.666 7.044 1.00 55.33 C ATOM 11 O SER A 2 4.682 23.250 7.269 1.00 13.15 O ATOM 12 CB SER A 2 2.512 24.715 7.953 1.00 31.45 C ATOM 13 OG SER A 2 1.337 25.179 8.597 1.00 3.11 O ATOM 0 HA SER A 2 1.767 23.481 6.360 1.00 60.31 H new ATOM 0 HB2 SER A 2 3.325 24.650 8.676 1.00 31.45 H new ATOM 0 HB3 SER A 2 2.820 25.431 7.191 1.00 31.45 H new ATOM 0 HG SER A 2 0.697 24.442 8.680 1.00 3.11 H new ATOM 18 N GLN A 3 3.565 21.429 6.561 1.00 64.04 N ATOM 19 CA GLN A 3 4.774 20.670 6.263 1.00 22.34 C ATOM 20 C GLN A 3 4.531 19.684 5.125 1.00 31.44 C ATOM 21 O GLN A 3 4.978 18.537 5.176 1.00 11.43 O ATOM 22 CB GLN A 3 5.251 19.921 7.509 1.00 51.32 C ATOM 23 CG GLN A 3 6.746 19.648 7.519 1.00 5.41 C ATOM 24 CD GLN A 3 7.110 18.419 8.330 1.00 42.13 C ATOM 25 OE1 GLN A 3 6.236 17.670 8.769 1.00 41.20 O ATOM 26 NE2 GLN A 3 8.405 18.205 8.532 1.00 61.03 N ATOM 0 H GLN A 3 2.696 20.932 6.368 1.00 64.04 H new ATOM 0 HA GLN A 3 5.547 21.373 5.952 1.00 22.34 H new ATOM 0 HB2 GLN A 3 4.990 20.502 8.394 1.00 51.32 H new ATOM 0 HB3 GLN A 3 4.717 18.974 7.580 1.00 51.32 H new ATOM 0 HG2 GLN A 3 7.095 19.519 6.494 1.00 5.41 H new ATOM 0 HG3 GLN A 3 7.267 20.515 7.926 1.00 5.41 H new ATOM 0 HE21 GLN A 3 9.095 18.852 8.150 1.00 61.03 H new ATOM 0 HE22 GLN A 3 8.710 17.394 9.070 1.00 61.03 H new ATOM 33 N LYS A 4 3.819 20.137 4.099 1.00 62.04 N ATOM 34 CA LYS A 4 3.517 19.296 2.946 1.00 32.13 C ATOM 35 C LYS A 4 4.316 19.738 1.725 1.00 42.33 C ATOM 36 O LYS A 4 4.628 18.931 0.848 1.00 25.55 O ATOM 37 CB LYS A 4 2.019 19.345 2.633 1.00 70.30 C ATOM 38 CG LYS A 4 1.473 20.754 2.487 1.00 44.44 C ATOM 39 CD LYS A 4 0.181 20.772 1.689 1.00 12.25 C ATOM 40 CE LYS A 4 -0.456 22.154 1.691 1.00 71.31 C ATOM 41 NZ LYS A 4 -1.271 22.388 2.915 1.00 23.20 N ATOM 0 H LYS A 4 3.440 21.082 4.042 1.00 62.04 H new ATOM 0 HA LYS A 4 3.799 18.272 3.191 1.00 32.13 H new ATOM 0 HB2 LYS A 4 1.831 18.794 1.711 1.00 70.30 H new ATOM 0 HB3 LYS A 4 1.474 18.834 3.426 1.00 70.30 H new ATOM 0 HG2 LYS A 4 1.298 21.181 3.474 1.00 44.44 H new ATOM 0 HG3 LYS A 4 2.214 21.383 1.995 1.00 44.44 H new ATOM 0 HD2 LYS A 4 0.382 20.464 0.663 1.00 12.25 H new ATOM 0 HD3 LYS A 4 -0.517 20.048 2.108 1.00 12.25 H new ATOM 0 HE2 LYS A 4 0.323 22.913 1.623 1.00 71.31 H new ATOM 0 HE3 LYS A 4 -1.086 22.265 0.809 1.00 71.31 H new ATOM 0 HZ1 LYS A 4 -1.688 23.340 2.878 1.00 23.20 H new ATOM 0 HZ2 LYS A 4 -2.031 21.680 2.967 1.00 23.20 H new ATOM 0 HZ3 LYS A 4 -0.665 22.308 3.756 1.00 23.20 H new ATOM 51 N LEU A 5 4.648 21.023 1.674 1.00 11.33 N ATOM 52 CA LEU A 5 5.414 21.573 0.561 1.00 70.54 C ATOM 53 C LEU A 5 6.909 21.337 0.759 1.00 73.21 C ATOM 54 O LEU A 5 7.638 21.075 -0.197 1.00 10.41 O ATOM 55 CB LEU A 5 5.138 23.070 0.414 1.00 21.25 C ATOM 56 CG LEU A 5 5.448 23.680 -0.952 1.00 70.14 C ATOM 57 CD1 LEU A 5 4.788 25.042 -1.091 1.00 12.43 C ATOM 58 CD2 LEU A 5 6.951 23.789 -1.160 1.00 2.24 C ATOM 0 H LEU A 5 4.399 21.704 2.391 1.00 11.33 H new ATOM 0 HA LEU A 5 5.101 21.062 -0.349 1.00 70.54 H new ATOM 0 HB2 LEU A 5 4.086 23.249 0.639 1.00 21.25 H new ATOM 0 HB3 LEU A 5 5.720 23.602 1.167 1.00 21.25 H new ATOM 0 HG LEU A 5 5.043 23.023 -1.721 1.00 70.14 H new ATOM 0 HD11 LEU A 5 5.020 25.461 -2.070 1.00 12.43 H new ATOM 0 HD12 LEU A 5 3.708 24.935 -0.989 1.00 12.43 H new ATOM 0 HD13 LEU A 5 5.162 25.708 -0.314 1.00 12.43 H new ATOM 0 HD21 LEU A 5 7.152 24.226 -2.138 1.00 2.24 H new ATOM 0 HD22 LEU A 5 7.381 24.423 -0.384 1.00 2.24 H new ATOM 0 HD23 LEU A 5 7.399 22.797 -1.107 1.00 2.24 H new ATOM 69 N VAL A 6 7.356 21.429 2.007 1.00 62.03 N ATOM 70 CA VAL A 6 8.762 21.222 2.332 1.00 44.52 C ATOM 71 C VAL A 6 9.269 19.900 1.766 1.00 40.44 C ATOM 72 O VAL A 6 10.381 19.821 1.243 1.00 20.01 O ATOM 73 CB VAL A 6 8.995 21.240 3.853 1.00 3.13 C ATOM 74 CG1 VAL A 6 10.478 21.103 4.169 1.00 34.43 C ATOM 75 CG2 VAL A 6 8.427 22.511 4.465 1.00 4.33 C ATOM 0 H VAL A 6 6.765 21.646 2.810 1.00 62.03 H new ATOM 0 HA VAL A 6 9.316 22.044 1.878 1.00 44.52 H new ATOM 0 HB VAL A 6 8.474 20.389 4.292 1.00 3.13 H new ATOM 0 HG11 VAL A 6 10.623 21.118 5.249 1.00 34.43 H new ATOM 0 HG12 VAL A 6 10.850 20.161 3.766 1.00 34.43 H new ATOM 0 HG13 VAL A 6 11.024 21.932 3.718 1.00 34.43 H new ATOM 0 HG21 VAL A 6 8.601 22.506 5.541 1.00 4.33 H new ATOM 0 HG22 VAL A 6 8.917 23.378 4.022 1.00 4.33 H new ATOM 0 HG23 VAL A 6 7.356 22.561 4.271 1.00 4.33 H new ATOM 85 N PHE A 7 8.445 18.864 1.873 1.00 72.35 N ATOM 86 CA PHE A 7 8.809 17.542 1.373 1.00 51.31 C ATOM 87 C PHE A 7 9.210 17.610 -0.098 1.00 45.43 C ATOM 88 O PHE A 7 10.331 17.255 -0.465 1.00 12.20 O ATOM 89 CB PHE A 7 7.643 16.568 1.551 1.00 65.22 C ATOM 90 CG PHE A 7 7.631 15.887 2.890 1.00 40.22 C ATOM 91 CD1 PHE A 7 7.347 16.602 4.042 1.00 75.42 C ATOM 92 CD2 PHE A 7 7.904 14.533 2.996 1.00 52.01 C ATOM 93 CE1 PHE A 7 7.335 15.978 5.275 1.00 21.43 C ATOM 94 CE2 PHE A 7 7.893 13.903 4.227 1.00 41.22 C ATOM 95 CZ PHE A 7 7.607 14.627 5.368 1.00 71.03 C ATOM 0 H PHE A 7 7.521 18.913 2.301 1.00 72.35 H new ATOM 0 HA PHE A 7 9.663 17.184 1.949 1.00 51.31 H new ATOM 0 HB2 PHE A 7 6.705 17.108 1.418 1.00 65.22 H new ATOM 0 HB3 PHE A 7 7.689 15.811 0.768 1.00 65.22 H new ATOM 0 HD1 PHE A 7 7.133 17.658 3.976 1.00 75.42 H new ATOM 0 HD2 PHE A 7 8.128 13.963 2.107 1.00 52.01 H new ATOM 0 HE1 PHE A 7 7.113 16.547 6.166 1.00 21.43 H new ATOM 0 HE2 PHE A 7 8.108 12.847 4.296 1.00 41.22 H new ATOM 0 HZ PHE A 7 7.596 14.138 6.331 1.00 71.03 H new ATOM 104 N PHE A 8 8.287 18.068 -0.937 1.00 0.24 N ATOM 105 CA PHE A 8 8.542 18.181 -2.368 1.00 51.23 C ATOM 106 C PHE A 8 9.719 19.115 -2.638 1.00 15.12 C ATOM 107 O PHE A 8 10.533 18.863 -3.526 1.00 5.54 O ATOM 108 CB PHE A 8 7.294 18.691 -3.092 1.00 11.24 C ATOM 109 CG PHE A 8 7.329 18.467 -4.576 1.00 75.40 C ATOM 110 CD1 PHE A 8 7.098 17.206 -5.104 1.00 44.31 C ATOM 111 CD2 PHE A 8 7.590 19.515 -5.443 1.00 23.20 C ATOM 112 CE1 PHE A 8 7.128 16.996 -6.470 1.00 64.21 C ATOM 113 CE2 PHE A 8 7.620 19.310 -6.810 1.00 3.35 C ATOM 114 CZ PHE A 8 7.391 18.049 -7.324 1.00 14.31 C ATOM 0 H PHE A 8 7.355 18.367 -0.650 1.00 0.24 H new ATOM 0 HA PHE A 8 8.793 17.190 -2.747 1.00 51.23 H new ATOM 0 HB2 PHE A 8 6.416 18.195 -2.678 1.00 11.24 H new ATOM 0 HB3 PHE A 8 7.180 19.757 -2.896 1.00 11.24 H new ATOM 0 HD1 PHE A 8 6.892 16.379 -4.441 1.00 44.31 H new ATOM 0 HD2 PHE A 8 7.772 20.503 -5.047 1.00 23.20 H new ATOM 0 HE1 PHE A 8 6.946 16.009 -6.869 1.00 64.21 H new ATOM 0 HE2 PHE A 8 7.823 20.136 -7.476 1.00 3.35 H new ATOM 0 HZ PHE A 8 7.418 17.887 -8.391 1.00 14.31 H new ATOM 123 N ALA A 9 9.799 20.194 -1.867 1.00 13.52 N ATOM 124 CA ALA A 9 10.875 21.165 -2.022 1.00 13.01 C ATOM 125 C ALA A 9 12.235 20.518 -1.788 1.00 2.24 C ATOM 126 O ALA A 9 13.213 20.848 -2.459 1.00 11.33 O ATOM 127 CB ALA A 9 10.672 22.333 -1.068 1.00 42.23 C ATOM 0 H ALA A 9 9.132 20.418 -1.129 1.00 13.52 H new ATOM 0 HA ALA A 9 10.851 21.538 -3.046 1.00 13.01 H new ATOM 0 HB1 ALA A 9 11.483 23.051 -1.194 1.00 42.23 H new ATOM 0 HB2 ALA A 9 9.720 22.818 -1.284 1.00 42.23 H new ATOM 0 HB3 ALA A 9 10.667 21.967 -0.041 1.00 42.23 H new ATOM 133 N GLU A 10 12.291 19.597 -0.831 1.00 73.14 N ATOM 134 CA GLU A 10 13.534 18.905 -0.509 1.00 21.21 C ATOM 135 C GLU A 10 13.808 17.784 -1.507 1.00 40.11 C ATOM 136 O GLU A 10 14.958 17.518 -1.858 1.00 32.13 O ATOM 137 CB GLU A 10 13.473 18.335 0.910 1.00 0.32 C ATOM 138 CG GLU A 10 13.462 19.401 1.994 1.00 74.33 C ATOM 139 CD GLU A 10 14.842 19.959 2.276 1.00 5.04 C ATOM 140 OE1 GLU A 10 15.704 19.195 2.761 1.00 75.20 O ATOM 141 OE2 GLU A 10 15.062 21.160 2.014 1.00 45.11 O ATOM 0 H GLU A 10 11.491 19.313 -0.266 1.00 73.14 H new ATOM 0 HA GLU A 10 14.348 19.628 -0.569 1.00 21.21 H new ATOM 0 HB2 GLU A 10 12.578 17.720 1.008 1.00 0.32 H new ATOM 0 HB3 GLU A 10 14.329 17.679 1.066 1.00 0.32 H new ATOM 0 HG2 GLU A 10 12.800 20.213 1.693 1.00 74.33 H new ATOM 0 HG3 GLU A 10 13.051 18.978 2.911 1.00 74.33 H new ATOM 146 N ASP A 11 12.744 17.131 -1.961 1.00 62.14 N ATOM 147 CA ASP A 11 12.868 16.039 -2.919 1.00 70.21 C ATOM 148 C ASP A 11 13.372 16.552 -4.265 1.00 33.14 C ATOM 149 O ASP A 11 14.215 15.923 -4.905 1.00 1.01 O ATOM 150 CB ASP A 11 11.523 15.335 -3.100 1.00 72.40 C ATOM 151 CG ASP A 11 11.077 14.607 -1.846 1.00 63.02 C ATOM 152 OD1 ASP A 11 11.917 14.415 -0.941 1.00 72.11 O ATOM 153 OD2 ASP A 11 9.890 14.231 -1.768 1.00 54.32 O ATOM 0 H ASP A 11 11.786 17.339 -1.681 1.00 62.14 H new ATOM 0 HA ASP A 11 13.593 15.326 -2.527 1.00 70.21 H new ATOM 0 HB2 ASP A 11 10.767 16.069 -3.379 1.00 72.40 H new ATOM 0 HB3 ASP A 11 11.596 14.624 -3.923 1.00 72.40 H new ATOM 157 N VAL A 12 12.849 17.698 -4.690 1.00 71.11 N ATOM 158 CA VAL A 12 13.245 18.295 -5.959 1.00 51.54 C ATOM 159 C VAL A 12 12.862 17.399 -7.131 1.00 41.15 C ATOM 160 O VAL A 12 13.611 17.271 -8.098 1.00 65.15 O ATOM 161 CB VAL A 12 14.761 18.562 -6.004 1.00 52.44 C ATOM 162 CG1 VAL A 12 15.100 19.527 -7.131 1.00 24.10 C ATOM 163 CG2 VAL A 12 15.246 19.100 -4.667 1.00 44.52 C ATOM 0 H VAL A 12 12.150 18.231 -4.173 1.00 71.11 H new ATOM 0 HA VAL A 12 12.714 19.243 -6.043 1.00 51.54 H new ATOM 0 HB VAL A 12 15.273 17.620 -6.198 1.00 52.44 H new ATOM 0 HG11 VAL A 12 16.175 19.704 -7.147 1.00 24.10 H new ATOM 0 HG12 VAL A 12 14.788 19.098 -8.083 1.00 24.10 H new ATOM 0 HG13 VAL A 12 14.579 20.471 -6.971 1.00 24.10 H new ATOM 0 HG21 VAL A 12 16.319 19.283 -4.716 1.00 44.52 H new ATOM 0 HG22 VAL A 12 14.729 20.032 -4.441 1.00 44.52 H new ATOM 0 HG23 VAL A 12 15.038 18.371 -3.884 1.00 44.52 H new ATOM 173 N GLY A 13 11.689 16.780 -7.039 1.00 14.25 N ATOM 174 CA GLY A 13 11.226 15.904 -8.099 1.00 53.32 C ATOM 175 C GLY A 13 12.095 14.671 -8.252 1.00 74.22 C ATOM 176 O GLY A 13 12.785 14.511 -9.258 1.00 1.41 O ATOM 0 H GLY A 13 11.051 16.870 -6.248 1.00 14.25 H new ATOM 0 HA2 GLY A 13 10.200 15.599 -7.892 1.00 53.32 H new ATOM 0 HA3 GLY A 13 11.211 16.454 -9.040 1.00 53.32 H new ATOM 180 N SER A 14 12.061 13.798 -7.250 1.00 41.11 N ATOM 181 CA SER A 14 12.855 12.575 -7.276 1.00 5.03 C ATOM 182 C SER A 14 11.966 11.354 -7.487 1.00 51.34 C ATOM 183 O SER A 14 12.158 10.316 -6.857 1.00 22.41 O ATOM 184 CB SER A 14 13.643 12.427 -5.972 1.00 51.24 C ATOM 185 OG SER A 14 12.797 12.026 -4.908 1.00 71.11 O ATOM 0 H SER A 14 11.493 13.915 -6.411 1.00 41.11 H new ATOM 0 HA SER A 14 13.554 12.642 -8.110 1.00 5.03 H new ATOM 0 HB2 SER A 14 14.438 11.693 -6.105 1.00 51.24 H new ATOM 0 HB3 SER A 14 14.122 13.374 -5.723 1.00 51.24 H new ATOM 0 HG SER A 14 12.465 11.119 -5.078 1.00 71.11 H new ATOM 190 N ASN A 15 10.991 11.487 -8.381 1.00 15.42 N ATOM 191 CA ASN A 15 10.070 10.396 -8.677 1.00 52.12 C ATOM 192 C ASN A 15 9.317 9.964 -7.423 1.00 1.33 C ATOM 193 O ASN A 15 9.635 8.942 -6.814 1.00 74.32 O ATOM 194 CB ASN A 15 10.830 9.205 -9.264 1.00 24.44 C ATOM 195 CG ASN A 15 9.952 8.333 -10.139 1.00 62.32 C ATOM 196 OD1 ASN A 15 8.816 8.690 -10.449 1.00 54.21 O ATOM 197 ND2 ASN A 15 10.477 7.181 -10.542 1.00 13.31 N ATOM 0 H ASN A 15 10.819 12.340 -8.913 1.00 15.42 H new ATOM 0 HA ASN A 15 9.346 10.754 -9.409 1.00 52.12 H new ATOM 0 HB2 ASN A 15 11.674 9.569 -9.850 1.00 24.44 H new ATOM 0 HB3 ASN A 15 11.241 8.604 -8.453 1.00 24.44 H new ATOM 0 HD21 ASN A 15 9.934 6.552 -11.133 1.00 13.31 H new ATOM 0 HD22 ASN A 15 11.424 6.926 -10.260 1.00 13.31 H new ATOM 203 N LYS A 16 8.316 10.751 -7.041 1.00 20.35 N ATOM 204 CA LYS A 16 7.515 10.451 -5.860 1.00 22.42 C ATOM 205 C LYS A 16 6.522 9.329 -6.146 1.00 62.44 C ATOM 206 O LYS A 16 6.359 8.411 -5.344 1.00 32.03 O ATOM 207 CB LYS A 16 6.766 11.702 -5.395 1.00 2.33 C ATOM 208 CG LYS A 16 7.568 12.572 -4.442 1.00 41.11 C ATOM 209 CD LYS A 16 7.743 11.903 -3.089 1.00 71.52 C ATOM 210 CE LYS A 16 6.562 12.183 -2.172 1.00 71.43 C ATOM 211 NZ LYS A 16 6.635 13.543 -1.573 1.00 12.31 N ATOM 0 H LYS A 16 8.040 11.601 -7.532 1.00 20.35 H new ATOM 0 HA LYS A 16 8.189 10.123 -5.069 1.00 22.42 H new ATOM 0 HB2 LYS A 16 6.488 12.294 -6.267 1.00 2.33 H new ATOM 0 HB3 LYS A 16 5.840 11.400 -4.906 1.00 2.33 H new ATOM 0 HG2 LYS A 16 8.546 12.781 -4.875 1.00 41.11 H new ATOM 0 HG3 LYS A 16 7.065 13.530 -4.313 1.00 41.11 H new ATOM 0 HD2 LYS A 16 7.852 10.827 -3.225 1.00 71.52 H new ATOM 0 HD3 LYS A 16 8.661 12.260 -2.621 1.00 71.52 H new ATOM 0 HE2 LYS A 16 5.634 12.084 -2.735 1.00 71.43 H new ATOM 0 HE3 LYS A 16 6.535 11.437 -1.377 1.00 71.43 H new ATOM 0 HZ1 LYS A 16 6.269 13.514 -0.600 1.00 12.31 H new ATOM 0 HZ2 LYS A 16 7.624 13.865 -1.562 1.00 12.31 H new ATOM 0 HZ3 LYS A 16 6.063 14.202 -2.138 1.00 12.31 H new ATOM 221 N GLY A 17 5.861 9.409 -7.298 1.00 4.52 N ATOM 222 CA GLY A 17 4.894 8.394 -7.670 1.00 62.30 C ATOM 223 C GLY A 17 5.464 6.991 -7.583 1.00 35.13 C ATOM 224 O GLY A 17 4.739 6.036 -7.304 1.00 22.05 O ATOM 0 H GLY A 17 5.979 10.159 -7.979 1.00 4.52 H new ATOM 0 HA2 GLY A 17 4.023 8.470 -7.019 1.00 62.30 H new ATOM 0 HA3 GLY A 17 4.549 8.580 -8.687 1.00 62.30 H new ATOM 228 N ALA A 18 6.764 6.866 -7.825 1.00 0.14 N ATOM 229 CA ALA A 18 7.429 5.570 -7.772 1.00 4.11 C ATOM 230 C ALA A 18 7.205 4.893 -6.424 1.00 73.41 C ATOM 231 O ALA A 18 6.794 3.734 -6.363 1.00 72.10 O ATOM 232 CB ALA A 18 8.918 5.730 -8.042 1.00 3.02 C ATOM 0 H ALA A 18 7.378 7.646 -8.060 1.00 0.14 H new ATOM 0 HA ALA A 18 6.996 4.935 -8.545 1.00 4.11 H new ATOM 0 HB1 ALA A 18 9.402 4.754 -7.999 1.00 3.02 H new ATOM 0 HB2 ALA A 18 9.064 6.165 -9.031 1.00 3.02 H new ATOM 0 HB3 ALA A 18 9.356 6.386 -7.289 1.00 3.02 H new ATOM 238 N ILE A 19 7.478 5.621 -5.347 1.00 50.30 N ATOM 239 CA ILE A 19 7.305 5.090 -4.001 1.00 43.15 C ATOM 240 C ILE A 19 5.911 4.500 -3.819 1.00 24.31 C ATOM 241 O ILE A 19 5.763 3.341 -3.428 1.00 71.34 O ATOM 242 CB ILE A 19 7.535 6.175 -2.933 1.00 52.35 C ATOM 243 CG1 ILE A 19 8.940 6.766 -3.069 1.00 22.41 C ATOM 244 CG2 ILE A 19 7.329 5.600 -1.540 1.00 32.51 C ATOM 245 CD1 ILE A 19 10.044 5.753 -2.858 1.00 41.14 C ATOM 0 H ILE A 19 7.820 6.581 -5.380 1.00 50.30 H new ATOM 0 HA ILE A 19 8.050 4.304 -3.874 1.00 43.15 H new ATOM 0 HB ILE A 19 6.809 6.973 -3.086 1.00 52.35 H new ATOM 0 HG12 ILE A 19 9.046 7.206 -4.061 1.00 22.41 H new ATOM 0 HG13 ILE A 19 9.057 7.575 -2.347 1.00 22.41 H new ATOM 0 HG21 ILE A 19 7.495 6.379 -0.796 1.00 32.51 H new ATOM 0 HG22 ILE A 19 6.310 5.223 -1.449 1.00 32.51 H new ATOM 0 HG23 ILE A 19 8.034 4.785 -1.375 1.00 32.51 H new ATOM 0 HD11 ILE A 19 11.012 6.241 -2.969 1.00 41.14 H new ATOM 0 HD12 ILE A 19 9.964 5.331 -1.856 1.00 41.14 H new ATOM 0 HD13 ILE A 19 9.953 4.956 -3.596 1.00 41.14 H new ATOM 256 N ILE A 20 4.892 5.303 -4.106 1.00 20.35 N ATOM 257 CA ILE A 20 3.510 4.859 -3.975 1.00 21.50 C ATOM 258 C ILE A 20 3.272 3.567 -4.751 1.00 13.53 C ATOM 259 O ILE A 20 2.759 2.591 -4.208 1.00 73.23 O ATOM 260 CB ILE A 20 2.525 5.933 -4.473 1.00 71.22 C ATOM 261 CG1 ILE A 20 2.707 7.230 -3.682 1.00 22.55 C ATOM 262 CG2 ILE A 20 1.093 5.432 -4.357 1.00 34.34 C ATOM 263 CD1 ILE A 20 3.554 8.259 -4.395 1.00 53.55 C ATOM 0 H ILE A 20 4.997 6.264 -4.431 1.00 20.35 H new ATOM 0 HA ILE A 20 3.334 4.680 -2.914 1.00 21.50 H new ATOM 0 HB ILE A 20 2.734 6.138 -5.523 1.00 71.22 H new ATOM 0 HG12 ILE A 20 1.727 7.659 -3.474 1.00 22.55 H new ATOM 0 HG13 ILE A 20 3.164 6.998 -2.720 1.00 22.55 H new ATOM 0 HG21 ILE A 20 0.408 6.202 -4.713 1.00 34.34 H new ATOM 0 HG22 ILE A 20 0.972 4.532 -4.960 1.00 34.34 H new ATOM 0 HG23 ILE A 20 0.871 5.202 -3.315 1.00 34.34 H new ATOM 0 HD11 ILE A 20 3.640 9.152 -3.776 1.00 53.55 H new ATOM 0 HD12 ILE A 20 4.547 7.848 -4.580 1.00 53.55 H new ATOM 0 HD13 ILE A 20 3.087 8.520 -5.345 1.00 53.55 H new ATOM 274 N GLY A 21 3.651 3.571 -6.025 1.00 53.22 N ATOM 275 CA GLY A 21 3.472 2.394 -6.856 1.00 12.12 C ATOM 276 C GLY A 21 4.235 1.193 -6.331 1.00 54.31 C ATOM 277 O GLY A 21 3.771 0.057 -6.442 1.00 14.15 O ATOM 0 H GLY A 21 4.079 4.368 -6.497 1.00 53.22 H new ATOM 0 HA2 GLY A 21 2.411 2.151 -6.912 1.00 12.12 H new ATOM 0 HA3 GLY A 21 3.803 2.616 -7.871 1.00 12.12 H new ATOM 281 N LEU A 22 5.407 1.444 -5.760 1.00 63.04 N ATOM 282 CA LEU A 22 6.237 0.374 -5.218 1.00 24.40 C ATOM 283 C LEU A 22 5.532 -0.331 -4.064 1.00 31.44 C ATOM 284 O LEU A 22 5.377 -1.552 -4.071 1.00 34.22 O ATOM 285 CB LEU A 22 7.580 0.933 -4.744 1.00 72.11 C ATOM 286 CG LEU A 22 8.812 0.085 -5.067 1.00 10.21 C ATOM 287 CD1 LEU A 22 8.672 -1.307 -4.471 1.00 72.34 C ATOM 288 CD2 LEU A 22 9.025 0.006 -6.571 1.00 64.24 C ATOM 0 H LEU A 22 5.804 2.378 -5.660 1.00 63.04 H new ATOM 0 HA LEU A 22 6.412 -0.353 -6.011 1.00 24.40 H new ATOM 0 HB2 LEU A 22 7.717 1.920 -5.187 1.00 72.11 H new ATOM 0 HB3 LEU A 22 7.532 1.072 -3.664 1.00 72.11 H new ATOM 0 HG LEU A 22 9.685 0.562 -4.622 1.00 10.21 H new ATOM 0 HD11 LEU A 22 9.557 -1.896 -4.711 1.00 72.34 H new ATOM 0 HD12 LEU A 22 8.569 -1.231 -3.389 1.00 72.34 H new ATOM 0 HD13 LEU A 22 7.789 -1.793 -4.886 1.00 72.34 H new ATOM 0 HD21 LEU A 22 9.905 -0.601 -6.782 1.00 64.24 H new ATOM 0 HD22 LEU A 22 8.151 -0.447 -7.039 1.00 64.24 H new ATOM 0 HD23 LEU A 22 9.171 1.009 -6.971 1.00 64.24 H new ATOM 299 N MET A 23 5.104 0.446 -3.075 1.00 2.44 N ATOM 300 CA MET A 23 4.412 -0.104 -1.915 1.00 14.35 C ATOM 301 C MET A 23 3.057 -0.680 -2.314 1.00 1.03 C ATOM 302 O MET A 23 2.755 -1.837 -2.025 1.00 73.31 O ATOM 303 CB MET A 23 4.225 0.976 -0.847 1.00 42.41 C ATOM 304 CG MET A 23 5.385 1.070 0.131 1.00 4.24 C ATOM 305 SD MET A 23 5.229 -0.084 1.507 1.00 31.14 S ATOM 306 CE MET A 23 6.952 -0.438 1.849 1.00 13.15 C ATOM 0 H MET A 23 5.224 1.459 -3.053 1.00 2.44 H new ATOM 0 HA MET A 23 5.023 -0.908 -1.506 1.00 14.35 H new ATOM 0 HB2 MET A 23 4.094 1.941 -1.337 1.00 42.41 H new ATOM 0 HB3 MET A 23 3.309 0.773 -0.293 1.00 42.41 H new ATOM 0 HG2 MET A 23 6.318 0.875 -0.398 1.00 4.24 H new ATOM 0 HG3 MET A 23 5.446 2.087 0.520 1.00 4.24 H new ATOM 0 HE1 MET A 23 7.021 -1.141 2.679 1.00 13.15 H new ATOM 0 HE2 MET A 23 7.416 -0.874 0.965 1.00 13.15 H new ATOM 0 HE3 MET A 23 7.468 0.486 2.111 1.00 13.15 H new ATOM 314 N VAL A 24 2.245 0.135 -2.980 1.00 11.03 N ATOM 315 CA VAL A 24 0.922 -0.294 -3.418 1.00 44.15 C ATOM 316 C VAL A 24 1.013 -1.532 -4.304 1.00 14.11 C ATOM 317 O VAL A 24 0.121 -2.380 -4.298 1.00 5.43 O ATOM 318 CB VAL A 24 0.196 0.823 -4.190 1.00 5.15 C ATOM 319 CG1 VAL A 24 -1.161 0.341 -4.678 1.00 4.41 C ATOM 320 CG2 VAL A 24 0.049 2.062 -3.319 1.00 25.02 C ATOM 0 H VAL A 24 2.480 1.096 -3.228 1.00 11.03 H new ATOM 0 HA VAL A 24 0.353 -0.533 -2.520 1.00 44.15 H new ATOM 0 HB VAL A 24 0.795 1.087 -5.061 1.00 5.15 H new ATOM 0 HG11 VAL A 24 -1.659 1.144 -5.221 1.00 4.41 H new ATOM 0 HG12 VAL A 24 -1.027 -0.515 -5.339 1.00 4.41 H new ATOM 0 HG13 VAL A 24 -1.772 0.048 -3.824 1.00 4.41 H new ATOM 0 HG21 VAL A 24 -0.466 2.842 -3.880 1.00 25.02 H new ATOM 0 HG22 VAL A 24 -0.528 1.814 -2.428 1.00 25.02 H new ATOM 0 HG23 VAL A 24 1.036 2.419 -3.024 1.00 25.02 H new ATOM 330 N GLY A 25 2.098 -1.629 -5.067 1.00 25.51 N ATOM 331 CA GLY A 25 2.286 -2.767 -5.948 1.00 32.04 C ATOM 332 C GLY A 25 2.611 -4.039 -5.191 1.00 24.21 C ATOM 333 O GLY A 25 2.047 -5.097 -5.468 1.00 3.42 O ATOM 0 H GLY A 25 2.850 -0.940 -5.091 1.00 25.51 H new ATOM 0 HA2 GLY A 25 1.382 -2.920 -6.537 1.00 32.04 H new ATOM 0 HA3 GLY A 25 3.091 -2.550 -6.650 1.00 32.04 H new ATOM 337 N GLY A 26 3.527 -3.938 -4.232 1.00 3.44 N ATOM 338 CA GLY A 26 3.913 -5.097 -3.448 1.00 63.22 C ATOM 339 C GLY A 26 2.768 -5.643 -2.618 1.00 53.02 C ATOM 340 O GLY A 26 2.591 -6.856 -2.513 1.00 73.04 O ATOM 0 H GLY A 26 4.009 -3.074 -3.984 1.00 3.44 H new ATOM 0 HA2 GLY A 26 4.279 -5.878 -4.115 1.00 63.22 H new ATOM 0 HA3 GLY A 26 4.739 -4.828 -2.790 1.00 63.22 H new ATOM 344 N VAL A 27 1.989 -4.744 -2.023 1.00 62.35 N ATOM 345 CA VAL A 27 0.856 -5.142 -1.197 1.00 33.20 C ATOM 346 C VAL A 27 -0.256 -5.749 -2.045 1.00 44.21 C ATOM 347 O VAL A 27 -0.708 -6.865 -1.790 1.00 2.11 O ATOM 348 CB VAL A 27 0.291 -3.948 -0.407 1.00 13.31 C ATOM 349 CG1 VAL A 27 -0.744 -4.417 0.604 1.00 24.11 C ATOM 350 CG2 VAL A 27 1.413 -3.184 0.280 1.00 73.43 C ATOM 0 H VAL A 27 2.123 -3.736 -2.098 1.00 62.35 H new ATOM 0 HA VAL A 27 1.223 -5.891 -0.495 1.00 33.20 H new ATOM 0 HB VAL A 27 -0.201 -3.273 -1.107 1.00 13.31 H new ATOM 0 HG11 VAL A 27 -1.132 -3.559 1.153 1.00 24.11 H new ATOM 0 HG12 VAL A 27 -1.562 -4.914 0.083 1.00 24.11 H new ATOM 0 HG13 VAL A 27 -0.281 -5.115 1.302 1.00 24.11 H new ATOM 0 HG21 VAL A 27 0.995 -2.343 0.834 1.00 73.43 H new ATOM 0 HG22 VAL A 27 1.937 -3.847 0.968 1.00 73.43 H new ATOM 0 HG23 VAL A 27 2.112 -2.813 -0.469 1.00 73.43 H new ATOM 360 N VAL A 28 -0.693 -5.006 -3.057 1.00 70.22 N ATOM 361 CA VAL A 28 -1.752 -5.472 -3.945 1.00 51.52 C ATOM 362 C VAL A 28 -1.395 -6.816 -4.569 1.00 52.22 C ATOM 363 O VAL A 28 -2.172 -7.769 -4.500 1.00 73.05 O ATOM 364 CB VAL A 28 -2.029 -4.455 -5.068 1.00 51.03 C ATOM 365 CG1 VAL A 28 -2.949 -5.058 -6.120 1.00 13.45 C ATOM 366 CG2 VAL A 28 -2.626 -3.178 -4.495 1.00 61.22 C ATOM 0 H VAL A 28 -0.330 -4.080 -3.282 1.00 70.22 H new ATOM 0 HA VAL A 28 -2.649 -5.585 -3.336 1.00 51.52 H new ATOM 0 HB VAL A 28 -1.083 -4.203 -5.548 1.00 51.03 H new ATOM 0 HG11 VAL A 28 -3.133 -4.325 -6.905 1.00 13.45 H new ATOM 0 HG12 VAL A 28 -2.478 -5.941 -6.552 1.00 13.45 H new ATOM 0 HG13 VAL A 28 -3.895 -5.340 -5.658 1.00 13.45 H new ATOM 0 HG21 VAL A 28 -2.815 -2.471 -5.302 1.00 61.22 H new ATOM 0 HG22 VAL A 28 -3.563 -3.410 -3.988 1.00 61.22 H new ATOM 0 HG23 VAL A 28 -1.928 -2.738 -3.783 1.00 61.22 H new ATOM 376 N ILE A 29 -0.215 -6.885 -5.177 1.00 21.55 N ATOM 377 CA ILE A 29 0.245 -8.115 -5.811 1.00 54.12 C ATOM 378 C ILE A 29 0.314 -9.260 -4.807 1.00 33.13 C ATOM 379 O ILE A 29 -0.303 -10.307 -5.001 1.00 11.02 O ATOM 380 CB ILE A 29 1.632 -7.929 -6.457 1.00 33.41 C ATOM 381 CG1 ILE A 29 1.540 -6.973 -7.647 1.00 22.02 C ATOM 382 CG2 ILE A 29 2.196 -9.274 -6.892 1.00 5.51 C ATOM 383 CD1 ILE A 29 0.710 -7.510 -8.792 1.00 60.02 C ATOM 0 H ILE A 29 0.439 -6.105 -5.244 1.00 21.55 H new ATOM 0 HA ILE A 29 -0.480 -8.360 -6.587 1.00 54.12 H new ATOM 0 HB ILE A 29 2.307 -7.495 -5.719 1.00 33.41 H new ATOM 0 HG12 ILE A 29 1.113 -6.028 -7.311 1.00 22.02 H new ATOM 0 HG13 ILE A 29 2.546 -6.758 -8.008 1.00 22.02 H new ATOM 0 HG21 ILE A 29 3.176 -9.128 -7.347 1.00 5.51 H new ATOM 0 HG22 ILE A 29 2.292 -9.926 -6.024 1.00 5.51 H new ATOM 0 HG23 ILE A 29 1.524 -9.733 -7.618 1.00 5.51 H new ATOM 0 HD11 ILE A 29 0.689 -6.779 -9.600 1.00 60.02 H new ATOM 0 HD12 ILE A 29 1.149 -8.440 -9.155 1.00 60.02 H new ATOM 0 HD13 ILE A 29 -0.307 -7.699 -8.447 1.00 60.02 H new ATOM 394 N ALA A 30 1.065 -9.052 -3.730 1.00 51.30 N ATOM 395 CA ALA A 30 1.211 -10.065 -2.693 1.00 13.14 C ATOM 396 C ALA A 30 -0.150 -10.542 -2.196 1.00 54.10 C ATOM 397 O ALA A 30 -0.415 -11.743 -2.134 1.00 24.13 O ATOM 398 CB ALA A 30 2.035 -9.522 -1.536 1.00 2.41 C ATOM 0 H ALA A 30 1.582 -8.190 -3.553 1.00 51.30 H new ATOM 0 HA ALA A 30 1.731 -10.919 -3.126 1.00 13.14 H new ATOM 0 HB1 ALA A 30 2.136 -10.290 -0.769 1.00 2.41 H new ATOM 0 HB2 ALA A 30 3.024 -9.237 -1.896 1.00 2.41 H new ATOM 0 HB3 ALA A 30 1.537 -8.650 -1.113 1.00 2.41 H new ATOM 404 N THR A 31 -1.012 -9.593 -1.843 1.00 61.11 N ATOM 405 CA THR A 31 -2.345 -9.916 -1.350 1.00 42.24 C ATOM 406 C THR A 31 -3.077 -10.843 -2.313 1.00 72.42 C ATOM 407 O THR A 31 -3.574 -11.898 -1.919 1.00 65.23 O ATOM 408 CB THR A 31 -3.189 -8.646 -1.137 1.00 1.31 C ATOM 409 OG1 THR A 31 -2.545 -7.782 -0.194 1.00 42.45 O ATOM 410 CG2 THR A 31 -4.582 -8.998 -0.641 1.00 24.53 C ATOM 0 H THR A 31 -0.810 -8.594 -1.890 1.00 61.11 H new ATOM 0 HA THR A 31 -2.214 -10.420 -0.393 1.00 42.24 H new ATOM 0 HB THR A 31 -3.281 -8.134 -2.095 1.00 1.31 H new ATOM 0 HG1 THR A 31 -1.689 -7.478 -0.561 1.00 42.45 H new ATOM 0 HG21 THR A 31 -5.159 -8.084 -0.498 1.00 24.53 H new ATOM 0 HG22 THR A 31 -5.081 -9.631 -1.375 1.00 24.53 H new ATOM 0 HG23 THR A 31 -4.507 -9.532 0.306 1.00 24.53 H new ATOM 418 N VAL A 32 -3.141 -10.443 -3.579 1.00 43.45 N ATOM 419 CA VAL A 32 -3.812 -11.240 -4.600 1.00 51.33 C ATOM 420 C VAL A 32 -3.269 -12.664 -4.630 1.00 72.42 C ATOM 421 O VAL A 32 -4.031 -13.631 -4.600 1.00 54.21 O ATOM 422 CB VAL A 32 -3.652 -10.611 -5.998 1.00 22.32 C ATOM 423 CG1 VAL A 32 -4.350 -11.461 -7.048 1.00 34.12 C ATOM 424 CG2 VAL A 32 -4.190 -9.188 -6.006 1.00 30.41 C ATOM 0 H VAL A 32 -2.736 -9.572 -3.922 1.00 43.45 H new ATOM 0 HA VAL A 32 -4.870 -11.263 -4.339 1.00 51.33 H new ATOM 0 HB VAL A 32 -2.590 -10.574 -6.243 1.00 22.32 H new ATOM 0 HG11 VAL A 32 -4.227 -11.002 -8.029 1.00 34.12 H new ATOM 0 HG12 VAL A 32 -3.913 -12.459 -7.057 1.00 34.12 H new ATOM 0 HG13 VAL A 32 -5.412 -11.532 -6.812 1.00 34.12 H new ATOM 0 HG21 VAL A 32 -4.069 -8.759 -7.001 1.00 30.41 H new ATOM 0 HG22 VAL A 32 -5.247 -9.197 -5.741 1.00 30.41 H new ATOM 0 HG23 VAL A 32 -3.640 -8.587 -5.282 1.00 30.41 H new ATOM 434 N ILE A 33 -1.947 -12.787 -4.690 1.00 50.00 N ATOM 435 CA ILE A 33 -1.303 -14.093 -4.723 1.00 25.42 C ATOM 436 C ILE A 33 -1.671 -14.919 -3.494 1.00 54.42 C ATOM 437 O ILE A 33 -1.920 -16.120 -3.593 1.00 35.42 O ATOM 438 CB ILE A 33 0.230 -13.964 -4.799 1.00 11.22 C ATOM 439 CG1 ILE A 33 0.638 -13.223 -6.074 1.00 11.34 C ATOM 440 CG2 ILE A 33 0.882 -15.337 -4.747 1.00 52.11 C ATOM 441 CD1 ILE A 33 0.293 -13.969 -7.343 1.00 50.11 C ATOM 0 H ILE A 33 -1.302 -11.998 -4.717 1.00 50.00 H new ATOM 0 HA ILE A 33 -1.662 -14.598 -5.619 1.00 25.42 H new ATOM 0 HB ILE A 33 0.574 -13.388 -3.940 1.00 11.22 H new ATOM 0 HG12 ILE A 33 0.149 -12.249 -6.091 1.00 11.34 H new ATOM 0 HG13 ILE A 33 1.712 -13.040 -6.050 1.00 11.34 H new ATOM 0 HG21 ILE A 33 1.965 -15.228 -4.802 1.00 52.11 H new ATOM 0 HG22 ILE A 33 0.614 -15.832 -3.814 1.00 52.11 H new ATOM 0 HG23 ILE A 33 0.535 -15.937 -5.588 1.00 52.11 H new ATOM 0 HD11 ILE A 33 0.611 -13.385 -8.206 1.00 50.11 H new ATOM 0 HD12 ILE A 33 0.803 -14.932 -7.349 1.00 50.11 H new ATOM 0 HD13 ILE A 33 -0.784 -14.129 -7.390 1.00 50.11 H new ATOM 452 N VAL A 34 -1.705 -14.266 -2.337 1.00 41.53 N ATOM 453 CA VAL A 34 -2.046 -14.938 -1.089 1.00 44.51 C ATOM 454 C VAL A 34 -3.459 -15.509 -1.141 1.00 4.02 C ATOM 455 O VAL A 34 -3.675 -16.683 -0.842 1.00 32.30 O ATOM 456 CB VAL A 34 -1.934 -13.981 0.113 1.00 70.23 C ATOM 457 CG1 VAL A 34 -2.339 -14.688 1.397 1.00 43.42 C ATOM 458 CG2 VAL A 34 -0.522 -13.426 0.222 1.00 63.34 C ATOM 0 H VAL A 34 -1.500 -13.272 -2.238 1.00 41.53 H new ATOM 0 HA VAL A 34 -1.333 -15.752 -0.963 1.00 44.51 H new ATOM 0 HB VAL A 34 -2.616 -13.146 -0.044 1.00 70.23 H new ATOM 0 HG11 VAL A 34 -2.254 -13.997 2.235 1.00 43.42 H new ATOM 0 HG12 VAL A 34 -3.370 -15.032 1.313 1.00 43.42 H new ATOM 0 HG13 VAL A 34 -1.684 -15.543 1.564 1.00 43.42 H new ATOM 0 HG21 VAL A 34 -0.461 -12.752 1.076 1.00 63.34 H new ATOM 0 HG22 VAL A 34 0.182 -14.247 0.356 1.00 63.34 H new ATOM 0 HG23 VAL A 34 -0.274 -12.881 -0.689 1.00 63.34 H new ATOM 468 N ILE A 35 -4.416 -14.670 -1.521 1.00 54.25 N ATOM 469 CA ILE A 35 -5.808 -15.091 -1.614 1.00 51.31 C ATOM 470 C ILE A 35 -5.967 -16.254 -2.587 1.00 23.34 C ATOM 471 O ILE A 35 -6.689 -17.214 -2.313 1.00 4.14 O ATOM 472 CB ILE A 35 -6.718 -13.934 -2.063 1.00 14.42 C ATOM 473 CG1 ILE A 35 -6.625 -12.769 -1.075 1.00 43.20 C ATOM 474 CG2 ILE A 35 -8.157 -14.410 -2.193 1.00 52.10 C ATOM 475 CD1 ILE A 35 -7.136 -13.107 0.307 1.00 32.22 C ATOM 0 H ILE A 35 -4.253 -13.694 -1.770 1.00 54.25 H new ATOM 0 HA ILE A 35 -6.107 -15.411 -0.616 1.00 51.31 H new ATOM 0 HB ILE A 35 -6.381 -13.586 -3.040 1.00 14.42 H new ATOM 0 HG12 ILE A 35 -5.586 -12.448 -1.001 1.00 43.20 H new ATOM 0 HG13 ILE A 35 -7.192 -11.925 -1.467 1.00 43.20 H new ATOM 0 HG21 ILE A 35 -8.788 -13.580 -2.511 1.00 52.10 H new ATOM 0 HG22 ILE A 35 -8.210 -15.210 -2.931 1.00 52.10 H new ATOM 0 HG23 ILE A 35 -8.506 -14.782 -1.230 1.00 52.10 H new ATOM 0 HD11 ILE A 35 -7.040 -12.235 0.954 1.00 32.22 H new ATOM 0 HD12 ILE A 35 -8.184 -13.399 0.246 1.00 32.22 H new ATOM 0 HD13 ILE A 35 -6.553 -13.931 0.719 1.00 32.22 H new ATOM 486 N THR A 36 -5.286 -16.164 -3.725 1.00 71.35 N ATOM 487 CA THR A 36 -5.350 -17.209 -4.738 1.00 53.23 C ATOM 488 C THR A 36 -4.710 -18.499 -4.240 1.00 32.51 C ATOM 489 O THR A 36 -5.312 -19.572 -4.312 1.00 12.11 O ATOM 490 CB THR A 36 -4.652 -16.773 -6.041 1.00 13.02 C ATOM 491 OG1 THR A 36 -3.334 -16.296 -5.752 1.00 43.25 O ATOM 492 CG2 THR A 36 -5.449 -15.684 -6.743 1.00 23.13 C ATOM 0 H THR A 36 -4.684 -15.378 -3.968 1.00 71.35 H new ATOM 0 HA THR A 36 -6.406 -17.386 -4.942 1.00 53.23 H new ATOM 0 HB THR A 36 -4.589 -17.637 -6.702 1.00 13.02 H new ATOM 0 HG1 THR A 36 -3.226 -16.200 -4.783 1.00 43.25 H new ATOM 0 HG21 THR A 36 -4.937 -15.392 -7.660 1.00 23.13 H new ATOM 0 HG22 THR A 36 -6.443 -16.060 -6.986 1.00 23.13 H new ATOM 0 HG23 THR A 36 -5.539 -14.818 -6.087 1.00 23.13 H new ATOM 500 N LEU A 37 -3.487 -18.390 -3.733 1.00 52.43 N ATOM 501 CA LEU A 37 -2.764 -19.549 -3.221 1.00 32.33 C ATOM 502 C LEU A 37 -3.588 -20.282 -2.167 1.00 72.54 C ATOM 503 O LEU A 37 -3.605 -21.513 -2.123 1.00 34.22 O ATOM 504 CB LEU A 37 -1.424 -19.116 -2.626 1.00 64.35 C ATOM 505 CG LEU A 37 -0.486 -20.245 -2.194 1.00 72.23 C ATOM 506 CD1 LEU A 37 -0.325 -21.264 -3.312 1.00 13.20 C ATOM 507 CD2 LEU A 37 0.868 -19.685 -1.782 1.00 74.25 C ATOM 0 H LEU A 37 -2.975 -17.510 -3.665 1.00 52.43 H new ATOM 0 HA LEU A 37 -2.582 -20.230 -4.052 1.00 32.33 H new ATOM 0 HB2 LEU A 37 -0.905 -18.500 -3.360 1.00 64.35 H new ATOM 0 HB3 LEU A 37 -1.621 -18.483 -1.761 1.00 64.35 H new ATOM 0 HG LEU A 37 -0.927 -20.748 -1.333 1.00 72.23 H new ATOM 0 HD11 LEU A 37 0.346 -22.059 -2.986 1.00 13.20 H new ATOM 0 HD12 LEU A 37 -1.298 -21.689 -3.560 1.00 13.20 H new ATOM 0 HD13 LEU A 37 0.093 -20.775 -4.192 1.00 13.20 H new ATOM 0 HD21 LEU A 37 1.522 -20.502 -1.478 1.00 74.25 H new ATOM 0 HD22 LEU A 37 1.315 -19.157 -2.624 1.00 74.25 H new ATOM 0 HD23 LEU A 37 0.738 -18.995 -0.948 1.00 74.25 H new ATOM 518 N VAL A 38 -4.273 -19.519 -1.321 1.00 53.32 N ATOM 519 CA VAL A 38 -5.103 -20.095 -0.270 1.00 63.15 C ATOM 520 C VAL A 38 -6.399 -20.658 -0.840 1.00 32.34 C ATOM 521 O VAL A 38 -6.734 -21.821 -0.618 1.00 71.41 O ATOM 522 CB VAL A 38 -5.439 -19.054 0.813 1.00 35.42 C ATOM 523 CG1 VAL A 38 -6.337 -19.663 1.879 1.00 31.41 C ATOM 524 CG2 VAL A 38 -4.165 -18.498 1.432 1.00 74.32 C ATOM 0 H VAL A 38 -4.269 -18.499 -1.343 1.00 53.32 H new ATOM 0 HA VAL A 38 -4.528 -20.903 0.181 1.00 63.15 H new ATOM 0 HB VAL A 38 -5.978 -18.230 0.345 1.00 35.42 H new ATOM 0 HG11 VAL A 38 -6.564 -18.912 2.636 1.00 31.41 H new ATOM 0 HG12 VAL A 38 -7.264 -20.008 1.420 1.00 31.41 H new ATOM 0 HG13 VAL A 38 -5.828 -20.506 2.345 1.00 31.41 H new ATOM 0 HG21 VAL A 38 -4.422 -17.764 2.195 1.00 74.32 H new ATOM 0 HG22 VAL A 38 -3.597 -19.310 1.886 1.00 74.32 H new ATOM 0 HG23 VAL A 38 -3.562 -18.022 0.659 1.00 74.32 H new ATOM 534 N MET A 39 -7.127 -19.824 -1.576 1.00 1.31 N ATOM 535 CA MET A 39 -8.388 -20.239 -2.179 1.00 53.11 C ATOM 536 C MET A 39 -8.187 -21.461 -3.071 1.00 33.01 C ATOM 537 O MET A 39 -9.111 -22.249 -3.277 1.00 24.21 O ATOM 538 CB MET A 39 -8.990 -19.092 -2.994 1.00 23.43 C ATOM 539 CG MET A 39 -8.488 -19.035 -4.428 1.00 31.52 C ATOM 540 SD MET A 39 -9.585 -19.883 -5.581 1.00 41.13 S ATOM 541 CE MET A 39 -10.566 -18.511 -6.185 1.00 2.22 C ATOM 0 H MET A 39 -6.865 -18.857 -1.769 1.00 1.31 H new ATOM 0 HA MET A 39 -9.076 -20.505 -1.377 1.00 53.11 H new ATOM 0 HB2 MET A 39 -10.075 -19.193 -3.002 1.00 23.43 H new ATOM 0 HB3 MET A 39 -8.762 -18.148 -2.500 1.00 23.43 H new ATOM 0 HG2 MET A 39 -8.383 -17.993 -4.731 1.00 31.52 H new ATOM 0 HG3 MET A 39 -7.496 -19.483 -4.480 1.00 31.52 H new ATOM 0 HE1 MET A 39 -11.294 -18.875 -6.910 1.00 2.22 H new ATOM 0 HE2 MET A 39 -11.088 -18.042 -5.351 1.00 2.22 H new ATOM 0 HE3 MET A 39 -9.914 -17.779 -6.662 1.00 2.22 H new ATOM 549 N LEU A 40 -6.978 -21.611 -3.598 1.00 43.44 N ATOM 550 CA LEU A 40 -6.656 -22.737 -4.468 1.00 14.43 C ATOM 551 C LEU A 40 -7.070 -24.056 -3.826 1.00 73.50 C ATOM 552 O LEU A 40 -7.728 -24.887 -4.454 1.00 52.52 O ATOM 553 CB LEU A 40 -5.159 -22.756 -4.780 1.00 4.32 C ATOM 554 CG LEU A 40 -4.751 -23.462 -6.072 1.00 54.34 C ATOM 555 CD1 LEU A 40 -5.072 -24.946 -5.995 1.00 12.11 C ATOM 556 CD2 LEU A 40 -5.443 -22.825 -7.269 1.00 74.21 C ATOM 0 H LEU A 40 -6.203 -20.967 -3.438 1.00 43.44 H new ATOM 0 HA LEU A 40 -7.212 -22.616 -5.398 1.00 14.43 H new ATOM 0 HB2 LEU A 40 -4.805 -21.726 -4.825 1.00 4.32 H new ATOM 0 HB3 LEU A 40 -4.641 -23.235 -3.949 1.00 4.32 H new ATOM 0 HG LEU A 40 -3.674 -23.352 -6.199 1.00 54.34 H new ATOM 0 HD11 LEU A 40 -4.774 -25.431 -6.924 1.00 12.11 H new ATOM 0 HD12 LEU A 40 -4.529 -25.393 -5.162 1.00 12.11 H new ATOM 0 HD13 LEU A 40 -6.143 -25.079 -5.843 1.00 12.11 H new ATOM 0 HD21 LEU A 40 -5.141 -23.340 -8.181 1.00 74.21 H new ATOM 0 HD22 LEU A 40 -6.524 -22.904 -7.149 1.00 74.21 H new ATOM 0 HD23 LEU A 40 -5.161 -21.774 -7.336 1.00 74.21 H new