USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 526 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 69 MET CE :methyl -96:sc= -0.367 (180deg=-1.49!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -154:sc= -0.0764 (180deg=-0.466) USER MOD Set 2.1: A 33 MET CE :methyl -140:sc= -0.465 (180deg=-0.133) USER MOD Set 2.2: A 48 MET CE :methyl -145:sc= -0.33 (180deg=-1.01) USER MOD Set 2.3: A 68 MET CE :methyl 153:sc= -0.127 (180deg=-0.889) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0049 (180deg=-0.182) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 5 SER OG : rot 17:sc= 0.192 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.8!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0585 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 103:sc= 1.2 USER MOD Single : A 35 ASN : amide:sc= -0.389 K(o=-0.39,f=-2.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 61 ASN : amide:sc= -1.87 K(o=-1.9,f=-5.6!) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0255 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.361 -5.104 3.820 1.00 42.34 N ATOM 2 CA MET A 1 2.444 -4.774 2.735 1.00 43.05 C ATOM 3 C MET A 1 2.115 -6.012 1.906 1.00 43.43 C ATOM 4 O MET A 1 0.998 -6.158 1.409 1.00 64.50 O ATOM 5 CB MET A 1 3.049 -3.692 1.838 1.00 2.43 C ATOM 6 CG MET A 1 2.719 -2.277 2.286 1.00 23.14 C ATOM 7 SD MET A 1 3.832 -1.047 1.580 1.00 62.24 S ATOM 8 CE MET A 1 4.386 -0.202 3.059 1.00 63.34 C ATOM 0 H1 MET A 1 3.412 -4.307 4.486 1.00 42.34 H new ATOM 0 H2 MET A 1 3.019 -5.950 4.319 1.00 42.34 H new ATOM 0 H3 MET A 1 4.307 -5.291 3.430 1.00 42.34 H new ATOM 0 HA MET A 1 1.521 -4.397 3.175 1.00 43.05 H new ATOM 0 HB2 MET A 1 4.132 -3.814 1.815 1.00 2.43 H new ATOM 0 HB3 MET A 1 2.691 -3.834 0.818 1.00 2.43 H new ATOM 0 HG2 MET A 1 1.694 -2.040 2.001 1.00 23.14 H new ATOM 0 HG3 MET A 1 2.768 -2.224 3.374 1.00 23.14 H new ATOM 0 HE1 MET A 1 5.083 0.590 2.786 1.00 63.34 H new ATOM 0 HE2 MET A 1 3.528 0.231 3.574 1.00 63.34 H new ATOM 0 HE3 MET A 1 4.884 -0.912 3.719 1.00 63.34 H new ATOM 18 N ASP A 2 3.094 -6.898 1.760 1.00 31.05 N ATOM 19 CA ASP A 2 2.908 -8.124 0.992 1.00 14.53 C ATOM 20 C ASP A 2 2.354 -7.816 -0.395 1.00 75.14 C ATOM 21 O ASP A 2 1.366 -8.411 -0.828 1.00 32.22 O ATOM 22 CB ASP A 2 1.966 -9.076 1.731 1.00 4.04 C ATOM 23 CG ASP A 2 2.336 -9.237 3.193 1.00 41.12 C ATOM 24 OD1 ASP A 2 3.539 -9.139 3.514 1.00 14.04 O ATOM 25 OD2 ASP A 2 1.423 -9.462 4.015 1.00 51.41 O ATOM 0 H ASP A 2 4.025 -6.790 2.163 1.00 31.05 H new ATOM 0 HA ASP A 2 3.880 -8.604 0.878 1.00 14.53 H new ATOM 0 HB2 ASP A 2 0.945 -8.702 1.657 1.00 4.04 H new ATOM 0 HB3 ASP A 2 1.985 -10.051 1.245 1.00 4.04 H new ATOM 30 N THR A 3 2.995 -6.882 -1.090 1.00 4.42 N ATOM 31 CA THR A 3 2.566 -6.493 -2.427 1.00 70.12 C ATOM 32 C THR A 3 3.629 -6.832 -3.466 1.00 73.21 C ATOM 33 O THR A 3 3.312 -7.274 -4.571 1.00 12.22 O ATOM 34 CB THR A 3 2.254 -4.986 -2.502 1.00 31.54 C ATOM 35 OG1 THR A 3 1.743 -4.529 -1.244 1.00 62.34 O ATOM 36 CG2 THR A 3 1.243 -4.697 -3.601 1.00 1.21 C ATOM 0 H THR A 3 3.815 -6.380 -0.748 1.00 4.42 H new ATOM 0 HA THR A 3 1.658 -7.056 -2.643 1.00 70.12 H new ATOM 0 HB THR A 3 3.178 -4.456 -2.733 1.00 31.54 H new ATOM 0 HG1 THR A 3 1.548 -3.570 -1.299 1.00 62.34 H new ATOM 0 HG21 THR A 3 1.038 -3.627 -3.635 1.00 1.21 H new ATOM 0 HG22 THR A 3 1.647 -5.020 -4.561 1.00 1.21 H new ATOM 0 HG23 THR A 3 0.319 -5.237 -3.396 1.00 1.21 H new ATOM 44 N ASP A 4 4.890 -6.624 -3.105 1.00 50.20 N ATOM 45 CA ASP A 4 6.000 -6.910 -4.006 1.00 44.51 C ATOM 46 C ASP A 4 7.118 -7.647 -3.275 1.00 34.42 C ATOM 47 O ASP A 4 7.919 -7.037 -2.567 1.00 53.01 O ATOM 48 CB ASP A 4 6.540 -5.613 -4.612 1.00 1.01 C ATOM 49 CG ASP A 4 6.515 -4.460 -3.628 1.00 1.10 C ATOM 50 OD1 ASP A 4 5.447 -3.830 -3.480 1.00 45.42 O ATOM 51 OD2 ASP A 4 7.564 -4.187 -3.006 1.00 74.13 O ATOM 0 H ASP A 4 5.169 -6.258 -2.195 1.00 50.20 H new ATOM 0 HA ASP A 4 5.630 -7.550 -4.807 1.00 44.51 H new ATOM 0 HB2 ASP A 4 7.563 -5.773 -4.954 1.00 1.01 H new ATOM 0 HB3 ASP A 4 5.948 -5.351 -5.489 1.00 1.01 H new ATOM 56 N SER A 5 7.164 -8.964 -3.450 1.00 72.21 N ATOM 57 CA SER A 5 8.180 -9.786 -2.803 1.00 74.31 C ATOM 58 C SER A 5 9.259 -10.199 -3.799 1.00 23.43 C ATOM 59 O SER A 5 8.959 -10.672 -4.894 1.00 63.24 O ATOM 60 CB SER A 5 7.540 -11.030 -2.182 1.00 0.51 C ATOM 61 OG SER A 5 7.010 -11.884 -3.181 1.00 2.32 O ATOM 0 H SER A 5 6.510 -9.484 -4.034 1.00 72.21 H new ATOM 0 HA SER A 5 8.645 -9.193 -2.015 1.00 74.31 H new ATOM 0 HB2 SER A 5 8.283 -11.570 -1.594 1.00 0.51 H new ATOM 0 HB3 SER A 5 6.747 -10.731 -1.497 1.00 0.51 H new ATOM 0 HG SER A 5 7.396 -11.649 -4.051 1.00 2.32 H new ATOM 67 N GLU A 6 10.517 -10.017 -3.408 1.00 52.21 N ATOM 68 CA GLU A 6 11.642 -10.370 -4.266 1.00 55.45 C ATOM 69 C GLU A 6 12.399 -11.570 -3.705 1.00 52.42 C ATOM 70 O GLU A 6 12.891 -12.412 -4.456 1.00 0.55 O ATOM 71 CB GLU A 6 12.590 -9.179 -4.417 1.00 4.44 C ATOM 72 CG GLU A 6 12.895 -8.474 -3.105 1.00 50.04 C ATOM 73 CD GLU A 6 14.069 -7.521 -3.214 1.00 42.34 C ATOM 74 OE1 GLU A 6 14.883 -7.686 -4.147 1.00 5.45 O ATOM 75 OE2 GLU A 6 14.173 -6.609 -2.367 1.00 21.21 O ATOM 0 H GLU A 6 10.782 -9.627 -2.503 1.00 52.21 H new ATOM 0 HA GLU A 6 11.248 -10.638 -5.246 1.00 55.45 H new ATOM 0 HB2 GLU A 6 13.524 -9.523 -4.861 1.00 4.44 H new ATOM 0 HB3 GLU A 6 12.152 -8.462 -5.112 1.00 4.44 H new ATOM 0 HG2 GLU A 6 12.013 -7.922 -2.780 1.00 50.04 H new ATOM 0 HG3 GLU A 6 13.106 -9.218 -2.337 1.00 50.04 H new ATOM 82 N GLU A 7 12.488 -11.639 -2.381 1.00 35.34 N ATOM 83 CA GLU A 7 13.186 -12.735 -1.719 1.00 70.10 C ATOM 84 C GLU A 7 12.571 -14.079 -2.097 1.00 73.41 C ATOM 85 O GLU A 7 13.251 -15.105 -2.103 1.00 0.35 O ATOM 86 CB GLU A 7 13.145 -12.552 -0.200 1.00 63.34 C ATOM 87 CG GLU A 7 13.936 -13.603 0.561 1.00 61.15 C ATOM 88 CD GLU A 7 14.121 -13.248 2.023 1.00 31.42 C ATOM 89 OE1 GLU A 7 14.253 -12.045 2.330 1.00 23.55 O ATOM 90 OE2 GLU A 7 14.133 -14.175 2.861 1.00 52.13 O ATOM 0 H GLU A 7 12.086 -10.950 -1.746 1.00 35.34 H new ATOM 0 HA GLU A 7 14.224 -12.724 -2.051 1.00 70.10 H new ATOM 0 HB2 GLU A 7 13.535 -11.565 0.049 1.00 63.34 H new ATOM 0 HB3 GLU A 7 12.107 -12.579 0.133 1.00 63.34 H new ATOM 0 HG2 GLU A 7 13.424 -14.563 0.486 1.00 61.15 H new ATOM 0 HG3 GLU A 7 14.913 -13.726 0.094 1.00 61.15 H new ATOM 97 N GLU A 8 11.279 -14.065 -2.412 1.00 22.02 N ATOM 98 CA GLU A 8 10.572 -15.283 -2.790 1.00 21.14 C ATOM 99 C GLU A 8 10.889 -15.671 -4.231 1.00 73.11 C ATOM 100 O GLU A 8 10.435 -16.706 -4.720 1.00 24.41 O ATOM 101 CB GLU A 8 9.063 -15.097 -2.620 1.00 11.33 C ATOM 102 CG GLU A 8 8.518 -15.688 -1.330 1.00 51.15 C ATOM 103 CD GLU A 8 9.137 -15.064 -0.095 1.00 1.30 C ATOM 104 OE1 GLU A 8 9.216 -13.819 -0.035 1.00 23.15 O ATOM 105 OE2 GLU A 8 9.542 -15.821 0.812 1.00 43.02 O ATOM 0 H GLU A 8 10.701 -13.224 -2.413 1.00 22.02 H new ATOM 0 HA GLU A 8 10.908 -16.086 -2.134 1.00 21.14 H new ATOM 0 HB2 GLU A 8 8.831 -14.032 -2.648 1.00 11.33 H new ATOM 0 HB3 GLU A 8 8.551 -15.557 -3.465 1.00 11.33 H new ATOM 0 HG2 GLU A 8 7.437 -15.550 -1.300 1.00 51.15 H new ATOM 0 HG3 GLU A 8 8.702 -16.762 -1.321 1.00 51.15 H new ATOM 112 N ILE A 9 11.669 -14.833 -4.905 1.00 74.05 N ATOM 113 CA ILE A 9 12.046 -15.088 -6.290 1.00 61.10 C ATOM 114 C ILE A 9 13.306 -15.943 -6.368 1.00 23.25 C ATOM 115 O ILE A 9 13.383 -16.884 -7.158 1.00 50.44 O ATOM 116 CB ILE A 9 12.282 -13.775 -7.060 1.00 73.53 C ATOM 117 CG1 ILE A 9 11.025 -12.904 -7.022 1.00 0.50 C ATOM 118 CG2 ILE A 9 12.685 -14.070 -8.497 1.00 42.24 C ATOM 119 CD1 ILE A 9 9.842 -13.517 -7.737 1.00 73.30 C ATOM 0 H ILE A 9 12.052 -13.972 -4.515 1.00 74.05 H new ATOM 0 HA ILE A 9 11.216 -15.625 -6.749 1.00 61.10 H new ATOM 0 HB ILE A 9 13.094 -13.229 -6.580 1.00 73.53 H new ATOM 0 HG12 ILE A 9 10.754 -12.717 -5.983 1.00 0.50 H new ATOM 0 HG13 ILE A 9 11.249 -11.937 -7.472 1.00 0.50 H new ATOM 0 HG21 ILE A 9 12.848 -13.133 -9.029 1.00 42.24 H new ATOM 0 HG22 ILE A 9 13.604 -14.656 -8.504 1.00 42.24 H new ATOM 0 HG23 ILE A 9 11.892 -14.633 -8.989 1.00 42.24 H new ATOM 0 HD11 ILE A 9 8.987 -12.844 -7.669 1.00 73.30 H new ATOM 0 HD12 ILE A 9 10.094 -13.679 -8.785 1.00 73.30 H new ATOM 0 HD13 ILE A 9 9.591 -14.471 -7.273 1.00 73.30 H new ATOM 131 N ARG A 10 14.292 -15.611 -5.540 1.00 71.21 N ATOM 132 CA ARG A 10 15.549 -16.349 -5.514 1.00 60.03 C ATOM 133 C ARG A 10 15.319 -17.800 -5.103 1.00 23.33 C ATOM 134 O ARG A 10 15.970 -18.711 -5.615 1.00 13.40 O ATOM 135 CB ARG A 10 16.535 -15.685 -4.552 1.00 2.32 C ATOM 136 CG ARG A 10 16.876 -14.251 -4.923 1.00 2.31 C ATOM 137 CD ARG A 10 17.891 -13.653 -3.961 1.00 45.15 C ATOM 138 NE ARG A 10 17.501 -12.319 -3.512 1.00 72.33 N ATOM 139 CZ ARG A 10 18.263 -11.551 -2.742 1.00 54.30 C ATOM 140 NH1 ARG A 10 19.450 -11.981 -2.338 1.00 33.12 N ATOM 141 NH2 ARG A 10 17.838 -10.349 -2.375 1.00 14.50 N ATOM 0 H ARG A 10 14.244 -14.836 -4.879 1.00 71.21 H new ATOM 0 HA ARG A 10 15.969 -16.337 -6.520 1.00 60.03 H new ATOM 0 HB2 ARG A 10 16.115 -15.701 -3.546 1.00 2.32 H new ATOM 0 HB3 ARG A 10 17.453 -16.272 -4.523 1.00 2.32 H new ATOM 0 HG2 ARG A 10 17.273 -14.221 -5.938 1.00 2.31 H new ATOM 0 HG3 ARG A 10 15.969 -13.647 -4.918 1.00 2.31 H new ATOM 0 HD2 ARG A 10 18.001 -14.308 -3.097 1.00 45.15 H new ATOM 0 HD3 ARG A 10 18.865 -13.601 -4.448 1.00 45.15 H new ATOM 0 HE ARG A 10 16.594 -11.958 -3.806 1.00 72.33 H new ATOM 0 HH11 ARG A 10 19.781 -12.904 -2.619 1.00 33.12 H new ATOM 0 HH12 ARG A 10 20.033 -11.389 -1.747 1.00 33.12 H new ATOM 0 HH21 ARG A 10 16.925 -10.014 -2.684 1.00 14.50 H new ATOM 0 HH22 ARG A 10 18.424 -9.760 -1.784 1.00 14.50 H new ATOM 155 N GLU A 11 14.391 -18.007 -4.174 1.00 54.22 N ATOM 156 CA GLU A 11 14.077 -19.347 -3.693 1.00 72.34 C ATOM 157 C GLU A 11 13.176 -20.083 -4.681 1.00 51.45 C ATOM 158 O GLU A 11 13.163 -21.312 -4.730 1.00 22.24 O ATOM 159 CB GLU A 11 13.399 -19.276 -2.324 1.00 31.14 C ATOM 160 CG GLU A 11 13.661 -20.492 -1.451 1.00 20.02 C ATOM 161 CD GLU A 11 12.858 -20.471 -0.165 1.00 2.14 C ATOM 162 OE1 GLU A 11 11.758 -19.880 -0.162 1.00 71.05 O ATOM 163 OE2 GLU A 11 13.330 -21.045 0.839 1.00 13.42 O ATOM 0 H GLU A 11 13.844 -17.264 -3.740 1.00 54.22 H new ATOM 0 HA GLU A 11 15.012 -19.899 -3.599 1.00 72.34 H new ATOM 0 HB2 GLU A 11 13.745 -18.384 -1.803 1.00 31.14 H new ATOM 0 HB3 GLU A 11 12.324 -19.166 -2.466 1.00 31.14 H new ATOM 0 HG2 GLU A 11 13.419 -21.395 -2.011 1.00 20.02 H new ATOM 0 HG3 GLU A 11 14.723 -20.540 -1.211 1.00 20.02 H new ATOM 170 N ALA A 12 12.423 -19.320 -5.467 1.00 41.15 N ATOM 171 CA ALA A 12 11.520 -19.898 -6.455 1.00 42.21 C ATOM 172 C ALA A 12 12.297 -20.525 -7.608 1.00 54.32 C ATOM 173 O ALA A 12 11.851 -21.500 -8.212 1.00 75.43 O ATOM 174 CB ALA A 12 10.561 -18.838 -6.977 1.00 33.53 C ATOM 0 H ALA A 12 12.420 -18.300 -5.439 1.00 41.15 H new ATOM 0 HA ALA A 12 10.944 -20.685 -5.969 1.00 42.21 H new ATOM 0 HB1 ALA A 12 9.893 -19.283 -7.714 1.00 33.53 H new ATOM 0 HB2 ALA A 12 9.975 -18.439 -6.150 1.00 33.53 H new ATOM 0 HB3 ALA A 12 11.128 -18.032 -7.442 1.00 33.53 H new ATOM 180 N PHE A 13 13.460 -19.958 -7.909 1.00 43.02 N ATOM 181 CA PHE A 13 14.298 -20.461 -8.992 1.00 2.33 C ATOM 182 C PHE A 13 15.233 -21.558 -8.491 1.00 74.43 C ATOM 183 O PHE A 13 15.751 -22.353 -9.276 1.00 40.52 O ATOM 184 CB PHE A 13 15.114 -19.321 -9.605 1.00 4.12 C ATOM 185 CG PHE A 13 14.528 -18.781 -10.878 1.00 61.30 C ATOM 186 CD1 PHE A 13 13.427 -17.941 -10.847 1.00 40.35 C ATOM 187 CD2 PHE A 13 15.078 -19.114 -12.105 1.00 63.23 C ATOM 188 CE1 PHE A 13 12.885 -17.444 -12.018 1.00 2.53 C ATOM 189 CE2 PHE A 13 14.541 -18.620 -13.279 1.00 0.41 C ATOM 190 CZ PHE A 13 13.444 -17.782 -13.235 1.00 34.32 C ATOM 0 H PHE A 13 13.844 -19.150 -7.419 1.00 43.02 H new ATOM 0 HA PHE A 13 13.646 -20.884 -9.756 1.00 2.33 H new ATOM 0 HB2 PHE A 13 15.194 -18.512 -8.879 1.00 4.12 H new ATOM 0 HB3 PHE A 13 16.126 -19.674 -9.802 1.00 4.12 H new ATOM 0 HD1 PHE A 13 12.987 -17.671 -9.898 1.00 40.35 H new ATOM 0 HD2 PHE A 13 15.937 -19.768 -12.145 1.00 63.23 H new ATOM 0 HE1 PHE A 13 12.025 -16.792 -11.981 1.00 2.53 H new ATOM 0 HE2 PHE A 13 14.979 -18.889 -14.229 1.00 0.41 H new ATOM 0 HZ PHE A 13 13.024 -17.392 -14.150 1.00 34.32 H new ATOM 200 N ARG A 14 15.443 -21.596 -7.180 1.00 11.45 N ATOM 201 CA ARG A 14 16.316 -22.594 -6.574 1.00 12.13 C ATOM 202 C ARG A 14 15.561 -23.896 -6.324 1.00 20.31 C ATOM 203 O ARG A 14 16.121 -24.985 -6.452 1.00 22.14 O ATOM 204 CB ARG A 14 16.894 -22.067 -5.259 1.00 53.41 C ATOM 205 CG ARG A 14 18.407 -21.925 -5.272 1.00 70.32 C ATOM 206 CD ARG A 14 19.066 -22.902 -4.311 1.00 0.45 C ATOM 207 NE ARG A 14 18.888 -24.289 -4.731 1.00 40.33 N ATOM 208 CZ ARG A 14 19.496 -25.317 -4.150 1.00 0.20 C ATOM 209 NH1 ARG A 14 20.317 -25.115 -3.129 1.00 12.35 N ATOM 210 NH2 ARG A 14 19.283 -26.550 -4.590 1.00 61.40 N ATOM 0 H ARG A 14 15.020 -20.947 -6.516 1.00 11.45 H new ATOM 0 HA ARG A 14 17.133 -22.794 -7.267 1.00 12.13 H new ATOM 0 HB2 ARG A 14 16.448 -21.097 -5.039 1.00 53.41 H new ATOM 0 HB3 ARG A 14 16.608 -22.740 -4.451 1.00 53.41 H new ATOM 0 HG2 ARG A 14 18.781 -22.097 -6.281 1.00 70.32 H new ATOM 0 HG3 ARG A 14 18.680 -20.905 -5.000 1.00 70.32 H new ATOM 0 HD2 ARG A 14 20.131 -22.679 -4.241 1.00 0.45 H new ATOM 0 HD3 ARG A 14 18.646 -22.769 -3.314 1.00 0.45 H new ATOM 0 HE ARG A 14 18.262 -24.479 -5.514 1.00 40.33 H new ATOM 0 HH11 ARG A 14 20.483 -24.168 -2.788 1.00 12.35 H new ATOM 0 HH12 ARG A 14 20.783 -25.906 -2.685 1.00 12.35 H new ATOM 0 HH21 ARG A 14 18.652 -26.709 -5.375 1.00 61.40 H new ATOM 0 HH22 ARG A 14 19.750 -27.339 -4.143 1.00 61.40 H new ATOM 224 N VAL A 15 14.286 -23.776 -5.966 1.00 63.35 N ATOM 225 CA VAL A 15 13.454 -24.943 -5.699 1.00 62.41 C ATOM 226 C VAL A 15 12.964 -25.577 -6.996 1.00 33.31 C ATOM 227 O VAL A 15 12.672 -26.772 -7.044 1.00 34.42 O ATOM 228 CB VAL A 15 12.238 -24.578 -4.827 1.00 43.12 C ATOM 229 CG1 VAL A 15 11.329 -25.784 -4.646 1.00 2.12 C ATOM 230 CG2 VAL A 15 12.693 -24.035 -3.481 1.00 33.13 C ATOM 0 H VAL A 15 13.807 -22.882 -5.854 1.00 63.35 H new ATOM 0 HA VAL A 15 14.076 -25.658 -5.161 1.00 62.41 H new ATOM 0 HB VAL A 15 11.669 -23.799 -5.334 1.00 43.12 H new ATOM 0 HG11 VAL A 15 10.476 -25.507 -4.027 1.00 2.12 H new ATOM 0 HG12 VAL A 15 10.976 -26.123 -5.620 1.00 2.12 H new ATOM 0 HG13 VAL A 15 11.883 -26.588 -4.161 1.00 2.12 H new ATOM 0 HG21 VAL A 15 11.821 -23.782 -2.877 1.00 33.13 H new ATOM 0 HG22 VAL A 15 13.285 -24.791 -2.965 1.00 33.13 H new ATOM 0 HG23 VAL A 15 13.299 -23.142 -3.635 1.00 33.13 H new ATOM 240 N PHE A 16 12.876 -24.769 -8.047 1.00 12.20 N ATOM 241 CA PHE A 16 12.420 -25.250 -9.346 1.00 31.32 C ATOM 242 C PHE A 16 13.478 -26.134 -10.000 1.00 72.11 C ATOM 243 O PHE A 16 13.156 -27.036 -10.774 1.00 24.45 O ATOM 244 CB PHE A 16 12.086 -24.071 -10.262 1.00 64.21 C ATOM 245 CG PHE A 16 10.622 -23.739 -10.303 1.00 21.22 C ATOM 246 CD1 PHE A 16 9.894 -23.613 -9.131 1.00 31.51 C ATOM 247 CD2 PHE A 16 9.974 -23.553 -11.513 1.00 72.23 C ATOM 248 CE1 PHE A 16 8.546 -23.308 -9.165 1.00 3.43 C ATOM 249 CE2 PHE A 16 8.627 -23.247 -11.553 1.00 52.23 C ATOM 250 CZ PHE A 16 7.912 -23.125 -10.378 1.00 32.12 C ATOM 0 H PHE A 16 13.115 -23.778 -8.025 1.00 12.20 H new ATOM 0 HA PHE A 16 11.520 -25.845 -9.190 1.00 31.32 H new ATOM 0 HB2 PHE A 16 12.640 -23.194 -9.928 1.00 64.21 H new ATOM 0 HB3 PHE A 16 12.427 -24.298 -11.272 1.00 64.21 H new ATOM 0 HD1 PHE A 16 10.385 -23.755 -8.180 1.00 31.51 H new ATOM 0 HD2 PHE A 16 10.528 -23.648 -12.435 1.00 72.23 H new ATOM 0 HE1 PHE A 16 7.990 -23.213 -8.244 1.00 3.43 H new ATOM 0 HE2 PHE A 16 8.134 -23.103 -12.503 1.00 52.23 H new ATOM 0 HZ PHE A 16 6.859 -22.887 -10.408 1.00 32.12 H new ATOM 260 N ASP A 17 14.740 -25.867 -9.684 1.00 63.45 N ATOM 261 CA ASP A 17 15.847 -26.638 -10.240 1.00 54.15 C ATOM 262 C ASP A 17 16.215 -27.799 -9.323 1.00 24.24 C ATOM 263 O ASP A 17 16.413 -27.617 -8.121 1.00 54.11 O ATOM 264 CB ASP A 17 17.064 -25.738 -10.459 1.00 52.11 C ATOM 265 CG ASP A 17 17.766 -26.022 -11.772 1.00 72.43 C ATOM 266 OD1 ASP A 17 17.845 -27.208 -12.158 1.00 43.34 O ATOM 267 OD2 ASP A 17 18.235 -25.060 -12.415 1.00 11.15 O ATOM 0 H ASP A 17 15.023 -25.123 -9.046 1.00 63.45 H new ATOM 0 HA ASP A 17 15.529 -27.044 -11.200 1.00 54.15 H new ATOM 0 HB2 ASP A 17 16.749 -24.695 -10.437 1.00 52.11 H new ATOM 0 HB3 ASP A 17 17.767 -25.876 -9.637 1.00 52.11 H new ATOM 272 N LYS A 18 16.306 -28.994 -9.896 1.00 71.33 N ATOM 273 CA LYS A 18 16.651 -30.187 -9.131 1.00 40.42 C ATOM 274 C LYS A 18 17.956 -30.797 -9.634 1.00 13.44 C ATOM 275 O LYS A 18 18.037 -32.002 -9.872 1.00 41.31 O ATOM 276 CB LYS A 18 15.525 -31.219 -9.221 1.00 70.03 C ATOM 277 CG LYS A 18 15.467 -32.161 -8.031 1.00 14.30 C ATOM 278 CD LYS A 18 14.986 -31.447 -6.778 1.00 63.14 C ATOM 279 CE LYS A 18 15.503 -32.124 -5.518 1.00 72.53 C ATOM 280 NZ LYS A 18 15.848 -31.136 -4.459 1.00 64.32 N ATOM 0 H LYS A 18 16.145 -29.163 -10.889 1.00 71.33 H new ATOM 0 HA LYS A 18 16.785 -29.895 -8.090 1.00 40.42 H new ATOM 0 HB2 LYS A 18 14.572 -30.698 -9.308 1.00 70.03 H new ATOM 0 HB3 LYS A 18 15.652 -31.805 -10.131 1.00 70.03 H new ATOM 0 HG2 LYS A 18 14.799 -32.993 -8.256 1.00 14.30 H new ATOM 0 HG3 LYS A 18 16.455 -32.585 -7.853 1.00 14.30 H new ATOM 0 HD2 LYS A 18 15.320 -30.410 -6.798 1.00 63.14 H new ATOM 0 HD3 LYS A 18 13.896 -31.431 -6.763 1.00 63.14 H new ATOM 0 HE2 LYS A 18 14.748 -32.813 -5.140 1.00 72.53 H new ATOM 0 HE3 LYS A 18 16.384 -32.719 -5.761 1.00 72.53 H new ATOM 0 HZ1 LYS A 18 16.196 -31.637 -3.617 1.00 64.32 H new ATOM 0 HZ2 LYS A 18 16.587 -30.494 -4.810 1.00 64.32 H new ATOM 0 HZ3 LYS A 18 15.002 -30.585 -4.209 1.00 64.32 H new ATOM 294 N ASP A 19 18.974 -29.958 -9.791 1.00 13.25 N ATOM 295 CA ASP A 19 20.276 -30.415 -10.262 1.00 33.30 C ATOM 296 C ASP A 19 21.391 -29.916 -9.348 1.00 34.50 C ATOM 297 O ASP A 19 22.120 -30.708 -8.753 1.00 23.20 O ATOM 298 CB ASP A 19 20.521 -29.937 -11.694 1.00 15.42 C ATOM 299 CG ASP A 19 21.666 -30.671 -12.362 1.00 5.22 C ATOM 300 OD1 ASP A 19 21.425 -31.758 -12.926 1.00 22.21 O ATOM 301 OD2 ASP A 19 22.805 -30.158 -12.320 1.00 32.33 O ATOM 0 H ASP A 19 18.923 -28.958 -9.599 1.00 13.25 H new ATOM 0 HA ASP A 19 20.278 -31.505 -10.246 1.00 33.30 H new ATOM 0 HB2 ASP A 19 19.613 -30.076 -12.281 1.00 15.42 H new ATOM 0 HB3 ASP A 19 20.734 -28.868 -11.685 1.00 15.42 H new ATOM 306 N GLY A 20 21.517 -28.597 -9.242 1.00 53.03 N ATOM 307 CA GLY A 20 22.546 -28.015 -8.400 1.00 74.23 C ATOM 308 C GLY A 20 23.380 -26.983 -9.133 1.00 72.43 C ATOM 309 O GLY A 20 24.047 -26.158 -8.510 1.00 75.42 O ATOM 0 H GLY A 20 20.925 -27.921 -9.724 1.00 53.03 H new ATOM 0 HA2 GLY A 20 22.080 -27.550 -7.531 1.00 74.23 H new ATOM 0 HA3 GLY A 20 23.197 -28.806 -8.028 1.00 74.23 H new ATOM 313 N ASN A 21 23.344 -27.031 -10.461 1.00 50.40 N ATOM 314 CA ASN A 21 24.105 -26.094 -11.280 1.00 14.41 C ATOM 315 C ASN A 21 23.511 -24.691 -11.195 1.00 2.32 C ATOM 316 O ASN A 21 24.209 -23.697 -11.394 1.00 73.11 O ATOM 317 CB ASN A 21 24.130 -26.561 -12.736 1.00 62.35 C ATOM 318 CG ASN A 21 25.234 -25.898 -13.537 1.00 62.23 C ATOM 319 OD1 ASN A 21 26.072 -25.183 -12.987 1.00 74.01 O ATOM 320 ND2 ASN A 21 25.240 -26.133 -14.844 1.00 72.33 N ATOM 0 H ASN A 21 22.797 -27.708 -10.992 1.00 50.40 H new ATOM 0 HA ASN A 21 25.125 -26.062 -10.898 1.00 14.41 H new ATOM 0 HB2 ASN A 21 24.263 -27.642 -12.766 1.00 62.35 H new ATOM 0 HB3 ASN A 21 23.168 -26.345 -13.201 1.00 62.35 H new ATOM 0 HD21 ASN A 21 25.959 -25.714 -15.434 1.00 72.33 H new ATOM 0 HD22 ASN A 21 24.526 -26.732 -15.258 1.00 72.33 H new ATOM 327 N GLY A 22 22.217 -24.618 -10.897 1.00 24.23 N ATOM 328 CA GLY A 22 21.552 -23.333 -10.790 1.00 34.12 C ATOM 329 C GLY A 22 21.238 -22.728 -12.144 1.00 20.31 C ATOM 330 O GLY A 22 21.565 -21.570 -12.405 1.00 60.31 O ATOM 0 H GLY A 22 21.618 -25.426 -10.728 1.00 24.23 H new ATOM 0 HA2 GLY A 22 20.627 -23.452 -10.225 1.00 34.12 H new ATOM 0 HA3 GLY A 22 22.184 -22.646 -10.226 1.00 34.12 H new ATOM 334 N TYR A 23 20.604 -23.513 -13.008 1.00 21.11 N ATOM 335 CA TYR A 23 20.250 -23.049 -14.344 1.00 60.42 C ATOM 336 C TYR A 23 18.998 -23.757 -14.852 1.00 75.13 C ATOM 337 O TYR A 23 18.948 -24.986 -14.916 1.00 43.22 O ATOM 338 CB TYR A 23 21.410 -23.285 -15.313 1.00 5.44 C ATOM 339 CG TYR A 23 22.605 -22.394 -15.054 1.00 31.41 C ATOM 340 CD1 TYR A 23 22.613 -21.070 -15.476 1.00 24.42 C ATOM 341 CD2 TYR A 23 23.725 -22.877 -14.389 1.00 21.03 C ATOM 342 CE1 TYR A 23 23.703 -20.253 -15.242 1.00 73.44 C ATOM 343 CE2 TYR A 23 24.818 -22.067 -14.150 1.00 1.24 C ATOM 344 CZ TYR A 23 24.802 -20.756 -14.579 1.00 3.05 C ATOM 345 OH TYR A 23 25.890 -19.946 -14.344 1.00 33.15 O ATOM 0 H TYR A 23 20.325 -24.473 -12.807 1.00 21.11 H new ATOM 0 HA TYR A 23 20.044 -21.980 -14.287 1.00 60.42 H new ATOM 0 HB2 TYR A 23 21.723 -24.327 -15.246 1.00 5.44 H new ATOM 0 HB3 TYR A 23 21.060 -23.122 -16.332 1.00 5.44 H new ATOM 0 HD1 TYR A 23 21.753 -20.673 -15.995 1.00 24.42 H new ATOM 0 HD2 TYR A 23 23.741 -23.903 -14.053 1.00 21.03 H new ATOM 0 HE1 TYR A 23 23.694 -19.226 -15.577 1.00 73.44 H new ATOM 0 HE2 TYR A 23 25.680 -22.458 -13.630 1.00 1.24 H new ATOM 0 HH TYR A 23 26.578 -20.454 -13.865 1.00 33.15 H new ATOM 355 N ILE A 24 17.988 -22.972 -15.213 1.00 31.20 N ATOM 356 CA ILE A 24 16.736 -23.522 -15.717 1.00 72.32 C ATOM 357 C ILE A 24 16.602 -23.298 -17.220 1.00 2.24 C ATOM 358 O ILE A 24 17.384 -22.561 -17.819 1.00 45.44 O ATOM 359 CB ILE A 24 15.520 -22.899 -15.006 1.00 42.22 C ATOM 360 CG1 ILE A 24 15.555 -21.374 -15.131 1.00 65.31 C ATOM 361 CG2 ILE A 24 15.491 -23.315 -13.543 1.00 62.43 C ATOM 362 CD1 ILE A 24 14.368 -20.801 -15.873 1.00 23.11 C ATOM 0 H ILE A 24 18.013 -21.953 -15.166 1.00 31.20 H new ATOM 0 HA ILE A 24 16.757 -24.592 -15.512 1.00 72.32 H new ATOM 0 HB ILE A 24 14.611 -23.264 -15.485 1.00 42.22 H new ATOM 0 HG12 ILE A 24 15.595 -20.937 -14.133 1.00 65.31 H new ATOM 0 HG13 ILE A 24 16.470 -21.081 -15.645 1.00 65.31 H new ATOM 0 HG21 ILE A 24 14.626 -22.867 -13.054 1.00 62.43 H new ATOM 0 HG22 ILE A 24 15.424 -24.401 -13.475 1.00 62.43 H new ATOM 0 HG23 ILE A 24 16.402 -22.976 -13.050 1.00 62.43 H new ATOM 0 HD11 ILE A 24 14.460 -19.716 -15.923 1.00 23.11 H new ATOM 0 HD12 ILE A 24 14.338 -21.210 -16.883 1.00 23.11 H new ATOM 0 HD13 ILE A 24 13.449 -21.064 -15.348 1.00 23.11 H new ATOM 374 N SER A 25 15.604 -23.937 -17.822 1.00 24.25 N ATOM 375 CA SER A 25 15.369 -23.809 -19.255 1.00 33.01 C ATOM 376 C SER A 25 14.298 -22.759 -19.538 1.00 22.43 C ATOM 377 O SER A 25 13.624 -22.283 -18.625 1.00 4.21 O ATOM 378 CB SER A 25 14.948 -25.156 -19.846 1.00 54.33 C ATOM 379 OG SER A 25 14.418 -26.009 -18.846 1.00 45.22 O ATOM 0 H SER A 25 14.945 -24.548 -17.339 1.00 24.25 H new ATOM 0 HA SER A 25 16.299 -23.489 -19.724 1.00 33.01 H new ATOM 0 HB2 SER A 25 14.203 -24.998 -20.625 1.00 54.33 H new ATOM 0 HB3 SER A 25 15.806 -25.634 -20.318 1.00 54.33 H new ATOM 0 HG SER A 25 14.155 -26.862 -19.250 1.00 45.22 H new ATOM 385 N ALA A 26 14.148 -22.404 -20.810 1.00 21.35 N ATOM 386 CA ALA A 26 13.159 -21.413 -21.214 1.00 70.13 C ATOM 387 C ALA A 26 11.807 -21.691 -20.567 1.00 75.21 C ATOM 388 O ALA A 26 11.142 -20.778 -20.079 1.00 10.31 O ATOM 389 CB ALA A 26 13.026 -21.389 -22.730 1.00 10.43 C ATOM 0 H ALA A 26 14.699 -22.788 -21.578 1.00 21.35 H new ATOM 0 HA ALA A 26 13.500 -20.435 -20.874 1.00 70.13 H new ATOM 0 HB1 ALA A 26 12.284 -20.644 -23.018 1.00 10.43 H new ATOM 0 HB2 ALA A 26 13.988 -21.135 -23.176 1.00 10.43 H new ATOM 0 HB3 ALA A 26 12.711 -22.371 -23.083 1.00 10.43 H new ATOM 395 N ALA A 27 11.405 -22.958 -20.568 1.00 32.05 N ATOM 396 CA ALA A 27 10.132 -23.356 -19.979 1.00 50.01 C ATOM 397 C ALA A 27 9.961 -22.760 -18.586 1.00 22.42 C ATOM 398 O ALA A 27 9.034 -21.988 -18.340 1.00 24.23 O ATOM 399 CB ALA A 27 10.028 -24.873 -19.923 1.00 53.12 C ATOM 0 H ALA A 27 11.942 -23.726 -20.970 1.00 32.05 H new ATOM 0 HA ALA A 27 9.331 -22.971 -20.611 1.00 50.01 H new ATOM 0 HB1 ALA A 27 9.073 -25.156 -19.481 1.00 53.12 H new ATOM 0 HB2 ALA A 27 10.096 -25.280 -20.932 1.00 53.12 H new ATOM 0 HB3 ALA A 27 10.841 -25.271 -19.316 1.00 53.12 H new ATOM 405 N ASP A 28 10.860 -23.125 -17.678 1.00 12.53 N ATOM 406 CA ASP A 28 10.809 -22.626 -16.308 1.00 55.44 C ATOM 407 C ASP A 28 10.739 -21.102 -16.287 1.00 41.25 C ATOM 408 O ASP A 28 10.144 -20.509 -15.387 1.00 30.05 O ATOM 409 CB ASP A 28 12.031 -23.104 -15.523 1.00 14.33 C ATOM 410 CG ASP A 28 11.698 -24.231 -14.565 1.00 3.34 C ATOM 411 OD1 ASP A 28 10.707 -24.949 -14.814 1.00 3.02 O ATOM 412 OD2 ASP A 28 12.430 -24.395 -13.566 1.00 72.02 O ATOM 0 H ASP A 28 11.632 -23.764 -17.866 1.00 12.53 H new ATOM 0 HA ASP A 28 9.908 -23.019 -15.837 1.00 55.44 H new ATOM 0 HB2 ASP A 28 12.799 -23.438 -16.220 1.00 14.33 H new ATOM 0 HB3 ASP A 28 12.450 -22.268 -14.964 1.00 14.33 H new ATOM 417 N LEU A 29 11.352 -20.473 -17.285 1.00 33.24 N ATOM 418 CA LEU A 29 11.361 -19.018 -17.381 1.00 13.53 C ATOM 419 C LEU A 29 9.979 -18.488 -17.751 1.00 41.21 C ATOM 420 O LEU A 29 9.431 -17.623 -17.067 1.00 42.13 O ATOM 421 CB LEU A 29 12.389 -18.562 -18.417 1.00 50.53 C ATOM 422 CG LEU A 29 12.792 -17.088 -18.359 1.00 41.34 C ATOM 423 CD1 LEU A 29 13.624 -16.810 -17.117 1.00 63.31 C ATOM 424 CD2 LEU A 29 13.557 -16.694 -19.615 1.00 20.32 C ATOM 0 H LEU A 29 11.849 -20.948 -18.038 1.00 33.24 H new ATOM 0 HA LEU A 29 11.635 -18.616 -16.406 1.00 13.53 H new ATOM 0 HB2 LEU A 29 13.287 -19.168 -18.300 1.00 50.53 H new ATOM 0 HB3 LEU A 29 11.991 -18.770 -19.410 1.00 50.53 H new ATOM 0 HG LEU A 29 11.885 -16.486 -18.306 1.00 41.34 H new ATOM 0 HD11 LEU A 29 13.901 -15.756 -17.093 1.00 63.31 H new ATOM 0 HD12 LEU A 29 13.042 -17.052 -16.228 1.00 63.31 H new ATOM 0 HD13 LEU A 29 14.526 -17.422 -17.139 1.00 63.31 H new ATOM 0 HD21 LEU A 29 13.836 -15.642 -19.556 1.00 20.32 H new ATOM 0 HD22 LEU A 29 14.457 -17.304 -19.699 1.00 20.32 H new ATOM 0 HD23 LEU A 29 12.927 -16.854 -20.490 1.00 20.32 H new ATOM 436 N ARG A 30 9.421 -19.014 -18.836 1.00 74.02 N ATOM 437 CA ARG A 30 8.102 -18.595 -19.297 1.00 4.13 C ATOM 438 C ARG A 30 7.053 -18.811 -18.210 1.00 72.14 C ATOM 439 O ARG A 30 6.104 -18.036 -18.086 1.00 4.45 O ATOM 440 CB ARG A 30 7.711 -19.365 -20.559 1.00 41.13 C ATOM 441 CG ARG A 30 6.467 -18.822 -21.243 1.00 34.24 C ATOM 442 CD ARG A 30 6.132 -19.610 -22.499 1.00 65.54 C ATOM 443 NE ARG A 30 5.398 -20.836 -22.198 1.00 21.33 N ATOM 444 CZ ARG A 30 4.778 -21.566 -23.118 1.00 35.44 C ATOM 445 NH1 ARG A 30 4.803 -21.196 -24.391 1.00 31.45 N ATOM 446 NH2 ARG A 30 4.130 -22.670 -22.765 1.00 2.31 N ATOM 0 H ARG A 30 9.861 -19.731 -19.413 1.00 74.02 H new ATOM 0 HA ARG A 30 8.146 -17.531 -19.529 1.00 4.13 H new ATOM 0 HB2 ARG A 30 8.543 -19.339 -21.263 1.00 41.13 H new ATOM 0 HB3 ARG A 30 7.546 -20.411 -20.300 1.00 41.13 H new ATOM 0 HG2 ARG A 30 5.625 -18.861 -20.552 1.00 34.24 H new ATOM 0 HG3 ARG A 30 6.620 -17.774 -21.500 1.00 34.24 H new ATOM 0 HD2 ARG A 30 5.539 -18.988 -23.169 1.00 65.54 H new ATOM 0 HD3 ARG A 30 7.053 -19.859 -23.027 1.00 65.54 H new ATOM 0 HE ARG A 30 5.359 -21.149 -21.228 1.00 21.33 H new ATOM 0 HH11 ARG A 30 5.299 -20.349 -24.666 1.00 31.45 H new ATOM 0 HH12 ARG A 30 4.326 -21.759 -25.095 1.00 31.45 H new ATOM 0 HH21 ARG A 30 4.108 -22.958 -21.787 1.00 2.31 H new ATOM 0 HH22 ARG A 30 3.654 -23.230 -23.472 1.00 2.31 H new ATOM 460 N HIS A 31 7.229 -19.870 -17.427 1.00 20.41 N ATOM 461 CA HIS A 31 6.297 -20.189 -16.351 1.00 2.11 C ATOM 462 C HIS A 31 6.411 -19.176 -15.216 1.00 5.03 C ATOM 463 O HIS A 31 5.460 -18.454 -14.916 1.00 45.21 O ATOM 464 CB HIS A 31 6.560 -21.599 -15.821 1.00 2.45 C ATOM 465 CG HIS A 31 5.725 -22.652 -16.480 1.00 71.33 C ATOM 466 ND1 HIS A 31 4.389 -22.842 -16.194 1.00 65.53 N ATOM 467 CD2 HIS A 31 6.042 -23.575 -17.419 1.00 3.42 C ATOM 468 CE1 HIS A 31 3.922 -23.837 -16.927 1.00 31.30 C ATOM 469 NE2 HIS A 31 4.905 -24.299 -17.679 1.00 52.41 N ATOM 0 H HIS A 31 8.008 -20.522 -17.517 1.00 20.41 H new ATOM 0 HA HIS A 31 5.285 -20.144 -16.754 1.00 2.11 H new ATOM 0 HB2 HIS A 31 7.613 -21.841 -15.963 1.00 2.45 H new ATOM 0 HB3 HIS A 31 6.371 -21.616 -14.748 1.00 2.45 H new ATOM 0 HD2 HIS A 31 7.009 -23.715 -17.878 1.00 3.42 H new ATOM 0 HE1 HIS A 31 2.908 -24.210 -16.914 1.00 31.30 H new ATOM 0 HE2 HIS A 31 4.831 -25.068 -18.345 1.00 52.41 H new ATOM 477 N VAL A 32 7.582 -19.129 -14.587 1.00 15.25 N ATOM 478 CA VAL A 32 7.820 -18.204 -13.485 1.00 23.55 C ATOM 479 C VAL A 32 7.499 -16.771 -13.891 1.00 1.44 C ATOM 480 O VAL A 32 6.906 -16.015 -13.121 1.00 73.24 O ATOM 481 CB VAL A 32 9.281 -18.274 -13.000 1.00 34.32 C ATOM 482 CG1 VAL A 32 9.494 -17.347 -11.813 1.00 24.31 C ATOM 483 CG2 VAL A 32 9.656 -19.705 -12.644 1.00 15.13 C ATOM 0 H VAL A 32 8.379 -19.720 -14.822 1.00 15.25 H new ATOM 0 HA VAL A 32 7.160 -18.504 -12.671 1.00 23.55 H new ATOM 0 HB VAL A 32 9.931 -17.943 -13.810 1.00 34.32 H new ATOM 0 HG11 VAL A 32 10.531 -17.410 -11.484 1.00 24.31 H new ATOM 0 HG12 VAL A 32 9.268 -16.322 -12.107 1.00 24.31 H new ATOM 0 HG13 VAL A 32 8.836 -17.644 -10.997 1.00 24.31 H new ATOM 0 HG21 VAL A 32 10.691 -19.736 -12.304 1.00 15.13 H new ATOM 0 HG22 VAL A 32 9.002 -20.066 -11.850 1.00 15.13 H new ATOM 0 HG23 VAL A 32 9.544 -20.340 -13.523 1.00 15.13 H new ATOM 493 N MET A 33 7.895 -16.402 -15.105 1.00 30.53 N ATOM 494 CA MET A 33 7.647 -15.059 -15.614 1.00 44.41 C ATOM 495 C MET A 33 6.153 -14.814 -15.800 1.00 22.25 C ATOM 496 O MET A 33 5.587 -13.890 -15.215 1.00 0.12 O ATOM 497 CB MET A 33 8.379 -14.851 -16.942 1.00 13.53 C ATOM 498 CG MET A 33 9.887 -14.736 -16.793 1.00 62.11 C ATOM 499 SD MET A 33 10.509 -13.107 -17.253 1.00 32.23 S ATOM 500 CE MET A 33 11.050 -13.413 -18.933 1.00 11.25 C ATOM 0 H MET A 33 8.389 -17.015 -15.754 1.00 30.53 H new ATOM 0 HA MET A 33 8.025 -14.345 -14.882 1.00 44.41 H new ATOM 0 HB2 MET A 33 8.150 -15.683 -17.608 1.00 13.53 H new ATOM 0 HB3 MET A 33 7.999 -13.948 -17.419 1.00 13.53 H new ATOM 0 HG2 MET A 33 10.163 -14.948 -15.760 1.00 62.11 H new ATOM 0 HG3 MET A 33 10.368 -15.493 -17.413 1.00 62.11 H new ATOM 0 HE1 MET A 33 11.990 -12.891 -19.113 1.00 11.25 H new ATOM 0 HE2 MET A 33 11.196 -14.483 -19.079 1.00 11.25 H new ATOM 0 HE3 MET A 33 10.294 -13.051 -19.630 1.00 11.25 H new ATOM 510 N THR A 34 5.518 -15.648 -16.617 1.00 65.34 N ATOM 511 CA THR A 34 4.091 -15.522 -16.881 1.00 13.31 C ATOM 512 C THR A 34 3.283 -15.622 -15.592 1.00 72.32 C ATOM 513 O THR A 34 2.147 -15.155 -15.523 1.00 1.34 O ATOM 514 CB THR A 34 3.603 -16.602 -17.865 1.00 1.02 C ATOM 515 OG1 THR A 34 4.294 -16.476 -19.113 1.00 13.42 O ATOM 516 CG2 THR A 34 2.104 -16.487 -18.095 1.00 52.01 C ATOM 0 H THR A 34 5.971 -16.419 -17.108 1.00 65.34 H new ATOM 0 HA THR A 34 3.938 -14.540 -17.328 1.00 13.31 H new ATOM 0 HB THR A 34 3.814 -17.579 -17.431 1.00 1.02 H new ATOM 0 HG1 THR A 34 4.985 -17.168 -19.176 1.00 13.42 H new ATOM 0 HG21 THR A 34 1.783 -17.260 -18.793 1.00 52.01 H new ATOM 0 HG22 THR A 34 1.580 -16.613 -17.148 1.00 52.01 H new ATOM 0 HG23 THR A 34 1.874 -15.505 -18.509 1.00 52.01 H new ATOM 524 N ASN A 35 3.877 -16.235 -14.573 1.00 74.12 N ATOM 525 CA ASN A 35 3.211 -16.397 -13.286 1.00 1.34 C ATOM 526 C ASN A 35 3.407 -15.160 -12.413 1.00 75.32 C ATOM 527 O ASN A 35 2.456 -14.648 -11.821 1.00 33.33 O ATOM 528 CB ASN A 35 3.747 -17.634 -12.563 1.00 33.31 C ATOM 529 CG ASN A 35 2.940 -17.975 -11.325 1.00 31.31 C ATOM 530 OD1 ASN A 35 2.781 -17.149 -10.427 1.00 2.44 O ATOM 531 ND2 ASN A 35 2.426 -19.199 -11.272 1.00 51.44 N ATOM 0 H ASN A 35 4.818 -16.627 -14.614 1.00 74.12 H new ATOM 0 HA ASN A 35 2.144 -16.526 -13.470 1.00 1.34 H new ATOM 0 HB2 ASN A 35 3.736 -18.484 -13.246 1.00 33.31 H new ATOM 0 HB3 ASN A 35 4.786 -17.465 -12.281 1.00 33.31 H new ATOM 0 HD21 ASN A 35 1.874 -19.486 -10.464 1.00 51.44 H new ATOM 0 HD22 ASN A 35 2.583 -19.852 -12.040 1.00 51.44 H new ATOM 538 N LEU A 36 4.645 -14.685 -12.339 1.00 72.04 N ATOM 539 CA LEU A 36 4.966 -13.508 -11.540 1.00 41.31 C ATOM 540 C LEU A 36 4.254 -12.272 -12.080 1.00 52.24 C ATOM 541 O LEU A 36 3.477 -12.356 -13.031 1.00 25.10 O ATOM 542 CB LEU A 36 6.478 -13.274 -11.526 1.00 13.33 C ATOM 543 CG LEU A 36 7.302 -14.262 -10.700 1.00 10.02 C ATOM 544 CD1 LEU A 36 8.782 -14.123 -11.022 1.00 13.42 C ATOM 545 CD2 LEU A 36 7.055 -14.050 -9.213 1.00 65.42 C ATOM 0 H LEU A 36 5.443 -15.097 -12.823 1.00 72.04 H new ATOM 0 HA LEU A 36 4.622 -13.686 -10.521 1.00 41.31 H new ATOM 0 HB2 LEU A 36 6.839 -13.301 -12.554 1.00 13.33 H new ATOM 0 HB3 LEU A 36 6.667 -12.269 -11.148 1.00 13.33 H new ATOM 0 HG LEU A 36 6.989 -15.273 -10.959 1.00 10.02 H new ATOM 0 HD11 LEU A 36 9.353 -14.834 -10.425 1.00 13.42 H new ATOM 0 HD12 LEU A 36 8.945 -14.326 -12.081 1.00 13.42 H new ATOM 0 HD13 LEU A 36 9.111 -13.110 -10.792 1.00 13.42 H new ATOM 0 HD21 LEU A 36 7.650 -14.762 -8.640 1.00 65.42 H new ATOM 0 HD22 LEU A 36 7.340 -13.035 -8.938 1.00 65.42 H new ATOM 0 HD23 LEU A 36 5.998 -14.202 -8.995 1.00 65.42 H new ATOM 557 N GLY A 37 4.526 -11.123 -11.468 1.00 73.21 N ATOM 558 CA GLY A 37 3.904 -9.886 -11.903 1.00 4.22 C ATOM 559 C GLY A 37 4.066 -9.647 -13.391 1.00 22.30 C ATOM 560 O GLY A 37 3.234 -8.988 -14.014 1.00 24.31 O ATOM 0 H GLY A 37 5.166 -11.027 -10.679 1.00 73.21 H new ATOM 0 HA2 GLY A 37 2.843 -9.910 -11.656 1.00 4.22 H new ATOM 0 HA3 GLY A 37 4.340 -9.051 -11.355 1.00 4.22 H new ATOM 564 N GLU A 38 5.141 -10.183 -13.961 1.00 74.54 N ATOM 565 CA GLU A 38 5.409 -10.023 -15.386 1.00 0.44 C ATOM 566 C GLU A 38 4.351 -10.735 -16.223 1.00 33.44 C ATOM 567 O GLU A 38 4.492 -11.913 -16.552 1.00 23.21 O ATOM 568 CB GLU A 38 6.798 -10.565 -15.730 1.00 12.00 C ATOM 569 CG GLU A 38 7.851 -9.482 -15.894 1.00 53.23 C ATOM 570 CD GLU A 38 7.811 -8.456 -14.778 1.00 43.14 C ATOM 571 OE1 GLU A 38 8.102 -8.825 -13.622 1.00 25.03 O ATOM 572 OE2 GLU A 38 7.489 -7.283 -15.063 1.00 22.13 O ATOM 0 H GLU A 38 5.840 -10.731 -13.459 1.00 74.54 H new ATOM 0 HA GLU A 38 5.374 -8.959 -15.619 1.00 0.44 H new ATOM 0 HB2 GLU A 38 7.115 -11.252 -14.946 1.00 12.00 H new ATOM 0 HB3 GLU A 38 6.735 -11.142 -16.653 1.00 12.00 H new ATOM 0 HG2 GLU A 38 8.839 -9.942 -15.924 1.00 53.23 H new ATOM 0 HG3 GLU A 38 7.704 -8.979 -16.850 1.00 53.23 H new ATOM 579 N LYS A 39 3.289 -10.013 -16.563 1.00 40.23 N ATOM 580 CA LYS A 39 2.206 -10.573 -17.362 1.00 73.32 C ATOM 581 C LYS A 39 2.180 -9.953 -18.755 1.00 50.15 C ATOM 582 O LYS A 39 1.861 -8.774 -18.916 1.00 35.15 O ATOM 583 CB LYS A 39 0.862 -10.347 -16.667 1.00 15.14 C ATOM 584 CG LYS A 39 -0.313 -10.982 -17.391 1.00 23.53 C ATOM 585 CD LYS A 39 -1.640 -10.515 -16.818 1.00 32.01 C ATOM 586 CE LYS A 39 -2.799 -10.866 -17.739 1.00 1.04 C ATOM 587 NZ LYS A 39 -3.953 -9.943 -17.554 1.00 71.30 N ATOM 0 H LYS A 39 3.155 -9.037 -16.297 1.00 40.23 H new ATOM 0 HA LYS A 39 2.380 -11.644 -17.464 1.00 73.32 H new ATOM 0 HB2 LYS A 39 0.914 -10.748 -15.655 1.00 15.14 H new ATOM 0 HB3 LYS A 39 0.685 -9.275 -16.576 1.00 15.14 H new ATOM 0 HG2 LYS A 39 -0.266 -10.733 -18.451 1.00 23.53 H new ATOM 0 HG3 LYS A 39 -0.245 -12.067 -17.315 1.00 23.53 H new ATOM 0 HD2 LYS A 39 -1.798 -10.974 -15.842 1.00 32.01 H new ATOM 0 HD3 LYS A 39 -1.611 -9.437 -16.662 1.00 32.01 H new ATOM 0 HE2 LYS A 39 -2.464 -10.826 -18.776 1.00 1.04 H new ATOM 0 HE3 LYS A 39 -3.119 -11.890 -17.547 1.00 1.04 H new ATOM 0 HZ1 LYS A 39 -4.722 -10.215 -18.199 1.00 71.30 H new ATOM 0 HZ2 LYS A 39 -4.289 -10.000 -16.571 1.00 71.30 H new ATOM 0 HZ3 LYS A 39 -3.655 -8.969 -17.762 1.00 71.30 H new ATOM 601 N LEU A 40 2.516 -10.753 -19.761 1.00 25.52 N ATOM 602 CA LEU A 40 2.530 -10.283 -21.142 1.00 23.24 C ATOM 603 C LEU A 40 2.063 -11.379 -22.095 1.00 5.23 C ATOM 604 O LEU A 40 1.883 -12.530 -21.695 1.00 51.31 O ATOM 605 CB LEU A 40 3.935 -9.819 -21.529 1.00 65.10 C ATOM 606 CG LEU A 40 4.379 -8.472 -20.957 1.00 21.32 C ATOM 607 CD1 LEU A 40 5.886 -8.448 -20.755 1.00 63.41 C ATOM 608 CD2 LEU A 40 3.943 -7.335 -21.870 1.00 22.45 C ATOM 0 H LEU A 40 2.783 -11.731 -19.646 1.00 25.52 H new ATOM 0 HA LEU A 40 1.842 -9.441 -21.221 1.00 23.24 H new ATOM 0 HB2 LEU A 40 4.648 -10.579 -21.210 1.00 65.10 H new ATOM 0 HB3 LEU A 40 3.992 -9.766 -22.616 1.00 65.10 H new ATOM 0 HG LEU A 40 3.901 -8.336 -19.987 1.00 21.32 H new ATOM 0 HD11 LEU A 40 6.183 -7.482 -20.347 1.00 63.41 H new ATOM 0 HD12 LEU A 40 6.173 -9.238 -20.061 1.00 63.41 H new ATOM 0 HD13 LEU A 40 6.384 -8.607 -21.712 1.00 63.41 H new ATOM 0 HD21 LEU A 40 4.267 -6.384 -21.447 1.00 22.45 H new ATOM 0 HD22 LEU A 40 4.392 -7.466 -22.855 1.00 22.45 H new ATOM 0 HD23 LEU A 40 2.857 -7.339 -21.963 1.00 22.45 H new ATOM 620 N THR A 41 1.871 -11.014 -23.359 1.00 24.33 N ATOM 621 CA THR A 41 1.427 -11.966 -24.369 1.00 51.34 C ATOM 622 C THR A 41 2.593 -12.798 -24.892 1.00 14.33 C ATOM 623 O THR A 41 3.756 -12.470 -24.658 1.00 12.54 O ATOM 624 CB THR A 41 0.749 -11.251 -25.554 1.00 64.30 C ATOM 625 OG1 THR A 41 1.732 -10.571 -26.343 1.00 10.35 O ATOM 626 CG2 THR A 41 -0.292 -10.257 -25.063 1.00 5.24 C ATOM 0 H THR A 41 2.016 -10.066 -23.707 1.00 24.33 H new ATOM 0 HA THR A 41 0.703 -12.623 -23.887 1.00 51.34 H new ATOM 0 HB THR A 41 0.249 -12.002 -26.166 1.00 64.30 H new ATOM 0 HG1 THR A 41 1.294 -10.120 -27.095 1.00 10.35 H new ATOM 0 HG21 THR A 41 -0.757 -9.765 -25.917 1.00 5.24 H new ATOM 0 HG22 THR A 41 -1.054 -10.783 -24.488 1.00 5.24 H new ATOM 0 HG23 THR A 41 0.188 -9.510 -24.431 1.00 5.24 H new ATOM 634 N ASP A 42 2.273 -13.875 -25.600 1.00 45.15 N ATOM 635 CA ASP A 42 3.295 -14.754 -26.158 1.00 42.40 C ATOM 636 C ASP A 42 4.280 -13.966 -27.016 1.00 5.44 C ATOM 637 O ASP A 42 5.444 -14.345 -27.147 1.00 53.44 O ATOM 638 CB ASP A 42 2.647 -15.861 -26.991 1.00 10.42 C ATOM 639 CG ASP A 42 3.627 -16.956 -27.360 1.00 63.45 C ATOM 640 OD1 ASP A 42 3.805 -17.890 -26.551 1.00 64.42 O ATOM 641 OD2 ASP A 42 4.217 -16.880 -28.459 1.00 2.52 O ATOM 0 H ASP A 42 1.315 -14.161 -25.801 1.00 45.15 H new ATOM 0 HA ASP A 42 3.842 -15.206 -25.330 1.00 42.40 H new ATOM 0 HB2 ASP A 42 1.817 -16.293 -26.432 1.00 10.42 H new ATOM 0 HB3 ASP A 42 2.229 -15.430 -27.901 1.00 10.42 H new ATOM 646 N GLU A 43 3.806 -12.868 -27.597 1.00 34.41 N ATOM 647 CA GLU A 43 4.645 -12.029 -28.443 1.00 41.24 C ATOM 648 C GLU A 43 5.543 -11.130 -27.598 1.00 51.44 C ATOM 649 O GLU A 43 6.760 -11.107 -27.778 1.00 0.34 O ATOM 650 CB GLU A 43 3.779 -11.175 -29.372 1.00 62.33 C ATOM 651 CG GLU A 43 4.402 -10.939 -30.738 1.00 73.01 C ATOM 652 CD GLU A 43 3.560 -10.031 -31.614 1.00 2.35 C ATOM 653 OE1 GLU A 43 2.419 -9.715 -31.217 1.00 41.44 O ATOM 654 OE2 GLU A 43 4.044 -9.636 -32.695 1.00 51.12 O ATOM 0 H GLU A 43 2.846 -12.539 -27.497 1.00 34.41 H new ATOM 0 HA GLU A 43 5.277 -12.682 -29.045 1.00 41.24 H new ATOM 0 HB2 GLU A 43 2.812 -11.661 -29.502 1.00 62.33 H new ATOM 0 HB3 GLU A 43 3.591 -10.212 -28.897 1.00 62.33 H new ATOM 0 HG2 GLU A 43 5.391 -10.500 -30.611 1.00 73.01 H new ATOM 0 HG3 GLU A 43 4.540 -11.896 -31.240 1.00 73.01 H new ATOM 661 N GLU A 44 4.932 -10.390 -26.678 1.00 31.32 N ATOM 662 CA GLU A 44 5.676 -9.488 -25.806 1.00 72.42 C ATOM 663 C GLU A 44 6.703 -10.256 -24.978 1.00 53.24 C ATOM 664 O GLU A 44 7.870 -9.871 -24.904 1.00 14.31 O ATOM 665 CB GLU A 44 4.719 -8.734 -24.881 1.00 3.34 C ATOM 666 CG GLU A 44 4.335 -7.357 -25.395 1.00 11.55 C ATOM 667 CD GLU A 44 2.903 -7.298 -25.891 1.00 45.15 C ATOM 668 OE1 GLU A 44 1.992 -7.114 -25.058 1.00 23.53 O ATOM 669 OE2 GLU A 44 2.695 -7.435 -27.115 1.00 70.42 O ATOM 0 H GLU A 44 3.925 -10.397 -26.517 1.00 31.32 H new ATOM 0 HA GLU A 44 6.205 -8.770 -26.433 1.00 72.42 H new ATOM 0 HB2 GLU A 44 3.815 -9.327 -24.746 1.00 3.34 H new ATOM 0 HB3 GLU A 44 5.182 -8.630 -23.900 1.00 3.34 H new ATOM 0 HG2 GLU A 44 4.470 -6.625 -24.599 1.00 11.55 H new ATOM 0 HG3 GLU A 44 5.008 -7.075 -26.205 1.00 11.55 H new ATOM 676 N VAL A 45 6.259 -11.344 -24.357 1.00 2.12 N ATOM 677 CA VAL A 45 7.138 -12.166 -23.535 1.00 24.45 C ATOM 678 C VAL A 45 8.342 -12.654 -24.334 1.00 13.41 C ATOM 679 O VAL A 45 9.440 -12.799 -23.796 1.00 75.31 O ATOM 680 CB VAL A 45 6.391 -13.384 -22.959 1.00 24.13 C ATOM 681 CG1 VAL A 45 7.334 -14.249 -22.135 1.00 50.43 C ATOM 682 CG2 VAL A 45 5.202 -12.933 -22.124 1.00 62.31 C ATOM 0 H VAL A 45 5.296 -11.676 -24.408 1.00 2.12 H new ATOM 0 HA VAL A 45 7.482 -11.537 -22.714 1.00 24.45 H new ATOM 0 HB VAL A 45 6.017 -13.985 -23.788 1.00 24.13 H new ATOM 0 HG11 VAL A 45 6.788 -15.104 -21.736 1.00 50.43 H new ATOM 0 HG12 VAL A 45 8.150 -14.601 -22.766 1.00 50.43 H new ATOM 0 HG13 VAL A 45 7.740 -13.662 -21.311 1.00 50.43 H new ATOM 0 HG21 VAL A 45 4.686 -13.806 -21.725 1.00 62.31 H new ATOM 0 HG22 VAL A 45 5.551 -12.310 -21.301 1.00 62.31 H new ATOM 0 HG23 VAL A 45 4.516 -12.359 -22.748 1.00 62.31 H new ATOM 692 N ASP A 46 8.128 -12.903 -25.621 1.00 31.40 N ATOM 693 CA ASP A 46 9.196 -13.373 -26.496 1.00 74.03 C ATOM 694 C ASP A 46 10.417 -12.465 -26.399 1.00 2.42 C ATOM 695 O ASP A 46 11.546 -12.939 -26.275 1.00 50.40 O ATOM 696 CB ASP A 46 8.706 -13.437 -27.944 1.00 42.20 C ATOM 697 CG ASP A 46 9.564 -14.343 -28.806 1.00 12.44 C ATOM 698 OD1 ASP A 46 9.257 -15.551 -28.885 1.00 42.23 O ATOM 699 OD2 ASP A 46 10.541 -13.843 -29.401 1.00 61.21 O ATOM 0 H ASP A 46 7.225 -12.787 -26.082 1.00 31.40 H new ATOM 0 HA ASP A 46 9.484 -14.374 -26.173 1.00 74.03 H new ATOM 0 HB2 ASP A 46 7.676 -13.793 -27.961 1.00 42.20 H new ATOM 0 HB3 ASP A 46 8.703 -12.433 -28.368 1.00 42.20 H new ATOM 704 N GLU A 47 10.183 -11.157 -26.457 1.00 34.43 N ATOM 705 CA GLU A 47 11.265 -10.183 -26.377 1.00 31.52 C ATOM 706 C GLU A 47 11.813 -10.094 -24.955 1.00 72.44 C ATOM 707 O GLU A 47 12.990 -9.802 -24.750 1.00 44.32 O ATOM 708 CB GLU A 47 10.777 -8.807 -26.834 1.00 62.24 C ATOM 709 CG GLU A 47 11.886 -7.775 -26.946 1.00 43.35 C ATOM 710 CD GLU A 47 11.667 -6.582 -26.036 1.00 24.11 C ATOM 711 OE1 GLU A 47 11.792 -6.745 -24.804 1.00 52.42 O ATOM 712 OE2 GLU A 47 11.372 -5.486 -26.556 1.00 52.21 O ATOM 0 H GLU A 47 9.254 -10.748 -26.559 1.00 34.43 H new ATOM 0 HA GLU A 47 12.067 -10.514 -27.037 1.00 31.52 H new ATOM 0 HB2 GLU A 47 10.287 -8.908 -27.802 1.00 62.24 H new ATOM 0 HB3 GLU A 47 10.025 -8.446 -26.132 1.00 62.24 H new ATOM 0 HG2 GLU A 47 12.839 -8.244 -26.701 1.00 43.35 H new ATOM 0 HG3 GLU A 47 11.955 -7.432 -27.978 1.00 43.35 H new ATOM 719 N MET A 48 10.949 -10.348 -23.978 1.00 22.43 N ATOM 720 CA MET A 48 11.346 -10.298 -22.575 1.00 44.44 C ATOM 721 C MET A 48 12.459 -11.301 -22.289 1.00 34.43 C ATOM 722 O MET A 48 13.432 -10.984 -21.604 1.00 71.31 O ATOM 723 CB MET A 48 10.144 -10.579 -21.672 1.00 41.01 C ATOM 724 CG MET A 48 9.578 -9.334 -21.009 1.00 30.14 C ATOM 725 SD MET A 48 10.692 -8.638 -19.773 1.00 53.24 S ATOM 726 CE MET A 48 10.810 -10.001 -18.618 1.00 3.03 C ATOM 0 H MET A 48 9.970 -10.590 -24.131 1.00 22.43 H new ATOM 0 HA MET A 48 11.722 -9.297 -22.365 1.00 44.44 H new ATOM 0 HB2 MET A 48 9.360 -11.055 -22.262 1.00 41.01 H new ATOM 0 HB3 MET A 48 10.438 -11.290 -20.900 1.00 41.01 H new ATOM 0 HG2 MET A 48 9.372 -8.583 -21.771 1.00 30.14 H new ATOM 0 HG3 MET A 48 8.626 -9.579 -20.538 1.00 30.14 H new ATOM 0 HE1 MET A 48 10.890 -9.612 -17.603 1.00 3.03 H new ATOM 0 HE2 MET A 48 9.919 -10.624 -18.698 1.00 3.03 H new ATOM 0 HE3 MET A 48 11.692 -10.598 -18.848 1.00 3.03 H new ATOM 736 N ILE A 49 12.307 -12.512 -22.816 1.00 5.33 N ATOM 737 CA ILE A 49 13.300 -13.561 -22.616 1.00 52.53 C ATOM 738 C ILE A 49 14.600 -13.233 -23.343 1.00 54.05 C ATOM 739 O ILE A 49 15.671 -13.706 -22.964 1.00 41.31 O ATOM 740 CB ILE A 49 12.782 -14.926 -23.105 1.00 34.13 C ATOM 741 CG1 ILE A 49 11.404 -15.217 -22.506 1.00 52.12 C ATOM 742 CG2 ILE A 49 13.766 -16.027 -22.741 1.00 23.32 C ATOM 743 CD1 ILE A 49 10.768 -16.481 -23.040 1.00 74.04 C ATOM 0 H ILE A 49 11.507 -12.791 -23.384 1.00 5.33 H new ATOM 0 HA ILE A 49 13.490 -13.616 -21.544 1.00 52.53 H new ATOM 0 HB ILE A 49 12.687 -14.894 -24.190 1.00 34.13 H new ATOM 0 HG12 ILE A 49 11.497 -15.296 -21.423 1.00 52.12 H new ATOM 0 HG13 ILE A 49 10.743 -14.374 -22.708 1.00 52.12 H new ATOM 0 HG21 ILE A 49 13.386 -16.986 -23.093 1.00 23.32 H new ATOM 0 HG22 ILE A 49 14.729 -15.824 -23.210 1.00 23.32 H new ATOM 0 HG23 ILE A 49 13.890 -16.061 -21.659 1.00 23.32 H new ATOM 0 HD11 ILE A 49 9.794 -16.624 -22.572 1.00 74.04 H new ATOM 0 HD12 ILE A 49 10.643 -16.397 -24.120 1.00 74.04 H new ATOM 0 HD13 ILE A 49 11.408 -17.334 -22.814 1.00 74.04 H new ATOM 755 N ARG A 50 14.497 -12.419 -24.389 1.00 62.44 N ATOM 756 CA ARG A 50 15.665 -12.028 -25.170 1.00 13.33 C ATOM 757 C ARG A 50 16.712 -11.361 -24.283 1.00 45.01 C ATOM 758 O ARG A 50 17.911 -11.585 -24.448 1.00 1.13 O ATOM 759 CB ARG A 50 15.256 -11.078 -26.297 1.00 12.41 C ATOM 760 CG ARG A 50 15.941 -11.373 -27.621 1.00 60.21 C ATOM 761 CD ARG A 50 15.804 -10.210 -28.591 1.00 72.11 C ATOM 762 NE ARG A 50 16.966 -10.088 -29.467 1.00 72.02 N ATOM 763 CZ ARG A 50 17.208 -10.906 -30.485 1.00 60.41 C ATOM 764 NH1 ARG A 50 16.373 -11.901 -30.754 1.00 1.33 N ATOM 765 NH2 ARG A 50 18.287 -10.731 -31.237 1.00 41.31 N ATOM 0 H ARG A 50 13.618 -12.018 -24.715 1.00 62.44 H new ATOM 0 HA ARG A 50 16.100 -12.928 -25.603 1.00 13.33 H new ATOM 0 HB2 ARG A 50 14.176 -11.136 -26.435 1.00 12.41 H new ATOM 0 HB3 ARG A 50 15.485 -10.055 -25.999 1.00 12.41 H new ATOM 0 HG2 ARG A 50 16.997 -11.581 -27.447 1.00 60.21 H new ATOM 0 HG3 ARG A 50 15.508 -12.270 -28.064 1.00 60.21 H new ATOM 0 HD2 ARG A 50 14.907 -10.346 -29.195 1.00 72.11 H new ATOM 0 HD3 ARG A 50 15.674 -9.284 -28.031 1.00 72.11 H new ATOM 0 HE ARG A 50 17.628 -9.333 -29.287 1.00 72.02 H new ATOM 0 HH11 ARG A 50 15.542 -12.039 -30.178 1.00 1.33 H new ATOM 0 HH12 ARG A 50 16.562 -12.528 -31.536 1.00 1.33 H new ATOM 0 HH21 ARG A 50 18.932 -9.967 -31.034 1.00 41.31 H new ATOM 0 HH22 ARG A 50 18.472 -11.360 -32.018 1.00 41.31 H new ATOM 779 N GLU A 51 16.251 -10.541 -23.344 1.00 73.20 N ATOM 780 CA GLU A 51 17.149 -9.841 -22.433 1.00 33.30 C ATOM 781 C GLU A 51 17.743 -10.804 -21.409 1.00 11.24 C ATOM 782 O GLU A 51 18.954 -10.828 -21.194 1.00 65.43 O ATOM 783 CB GLU A 51 16.406 -8.712 -21.717 1.00 13.34 C ATOM 784 CG GLU A 51 17.115 -7.370 -21.796 1.00 71.34 C ATOM 785 CD GLU A 51 17.359 -6.757 -20.431 1.00 74.11 C ATOM 786 OE1 GLU A 51 17.912 -7.457 -19.557 1.00 74.41 O ATOM 787 OE2 GLU A 51 16.997 -5.578 -20.236 1.00 75.23 O ATOM 0 H GLU A 51 15.261 -10.345 -23.194 1.00 73.20 H new ATOM 0 HA GLU A 51 17.962 -9.415 -23.020 1.00 33.30 H new ATOM 0 HB2 GLU A 51 15.410 -8.613 -22.149 1.00 13.34 H new ATOM 0 HB3 GLU A 51 16.274 -8.982 -20.669 1.00 13.34 H new ATOM 0 HG2 GLU A 51 18.069 -7.497 -22.309 1.00 71.34 H new ATOM 0 HG3 GLU A 51 16.519 -6.683 -22.397 1.00 71.34 H new ATOM 794 N ALA A 52 16.880 -11.594 -20.778 1.00 64.55 N ATOM 795 CA ALA A 52 17.319 -12.560 -19.778 1.00 50.50 C ATOM 796 C ALA A 52 18.444 -13.436 -20.317 1.00 61.42 C ATOM 797 O ALA A 52 19.577 -13.372 -19.840 1.00 20.34 O ATOM 798 CB ALA A 52 16.148 -13.419 -19.325 1.00 62.20 C ATOM 0 H ALA A 52 15.873 -11.584 -20.942 1.00 64.55 H new ATOM 0 HA ALA A 52 17.704 -12.009 -18.920 1.00 50.50 H new ATOM 0 HB1 ALA A 52 16.490 -14.136 -18.578 1.00 62.20 H new ATOM 0 HB2 ALA A 52 15.377 -12.783 -18.891 1.00 62.20 H new ATOM 0 HB3 ALA A 52 15.737 -13.955 -20.181 1.00 62.20 H new ATOM 804 N ASP A 53 18.124 -14.255 -21.313 1.00 42.24 N ATOM 805 CA ASP A 53 19.109 -15.145 -21.918 1.00 13.22 C ATOM 806 C ASP A 53 19.974 -14.394 -22.925 1.00 50.11 C ATOM 807 O ASP A 53 19.491 -13.514 -23.639 1.00 21.23 O ATOM 808 CB ASP A 53 18.412 -16.321 -22.603 1.00 35.43 C ATOM 809 CG ASP A 53 17.946 -15.982 -24.005 1.00 14.22 C ATOM 810 OD1 ASP A 53 18.793 -15.958 -24.922 1.00 31.24 O ATOM 811 OD2 ASP A 53 16.734 -15.739 -24.185 1.00 52.32 O ATOM 0 H ASP A 53 17.190 -14.321 -21.719 1.00 42.24 H new ATOM 0 HA ASP A 53 19.753 -15.526 -21.126 1.00 13.22 H new ATOM 0 HB2 ASP A 53 19.095 -17.169 -22.646 1.00 35.43 H new ATOM 0 HB3 ASP A 53 17.556 -16.631 -22.004 1.00 35.43 H new ATOM 816 N ILE A 54 21.254 -14.746 -22.976 1.00 61.34 N ATOM 817 CA ILE A 54 22.186 -14.106 -23.896 1.00 50.30 C ATOM 818 C ILE A 54 22.106 -14.732 -25.284 1.00 42.43 C ATOM 819 O ILE A 54 21.749 -15.901 -25.430 1.00 12.33 O ATOM 820 CB ILE A 54 23.636 -14.200 -23.385 1.00 72.21 C ATOM 821 CG1 ILE A 54 24.019 -15.661 -23.139 1.00 73.12 C ATOM 822 CG2 ILE A 54 23.804 -13.382 -22.114 1.00 13.24 C ATOM 823 CD1 ILE A 54 25.509 -15.880 -23.000 1.00 11.12 C ATOM 0 H ILE A 54 21.669 -15.471 -22.391 1.00 61.34 H new ATOM 0 HA ILE A 54 21.898 -13.056 -23.957 1.00 50.30 H new ATOM 0 HB ILE A 54 24.301 -13.792 -24.146 1.00 72.21 H new ATOM 0 HG12 ILE A 54 23.523 -16.011 -22.234 1.00 73.12 H new ATOM 0 HG13 ILE A 54 23.646 -16.270 -23.963 1.00 73.12 H new ATOM 0 HG21 ILE A 54 24.834 -13.459 -21.765 1.00 13.24 H new ATOM 0 HG22 ILE A 54 23.567 -12.338 -22.319 1.00 13.24 H new ATOM 0 HG23 ILE A 54 23.132 -13.762 -21.345 1.00 13.24 H new ATOM 0 HD11 ILE A 54 25.707 -16.938 -22.828 1.00 11.12 H new ATOM 0 HD12 ILE A 54 26.010 -15.561 -23.914 1.00 11.12 H new ATOM 0 HD13 ILE A 54 25.885 -15.299 -22.158 1.00 11.12 H new ATOM 835 N ASP A 55 22.443 -13.946 -26.301 1.00 61.34 N ATOM 836 CA ASP A 55 22.413 -14.424 -27.679 1.00 33.01 C ATOM 837 C ASP A 55 21.016 -14.909 -28.055 1.00 42.02 C ATOM 838 O ASP A 55 20.103 -14.902 -27.231 1.00 74.22 O ATOM 839 CB ASP A 55 23.427 -15.552 -27.872 1.00 62.24 C ATOM 840 CG ASP A 55 24.858 -15.050 -27.876 1.00 73.12 C ATOM 841 OD1 ASP A 55 25.311 -14.544 -26.829 1.00 21.24 O ATOM 842 OD2 ASP A 55 25.524 -15.162 -28.927 1.00 35.30 O ATOM 0 H ASP A 55 22.740 -12.976 -26.197 1.00 61.34 H new ATOM 0 HA ASP A 55 22.678 -13.593 -28.332 1.00 33.01 H new ATOM 0 HB2 ASP A 55 23.305 -16.286 -27.076 1.00 62.24 H new ATOM 0 HB3 ASP A 55 23.222 -16.064 -28.812 1.00 62.24 H new ATOM 847 N GLY A 56 20.858 -15.329 -29.307 1.00 1.30 N ATOM 848 CA GLY A 56 19.570 -15.810 -29.771 1.00 11.21 C ATOM 849 C GLY A 56 19.119 -17.058 -29.038 1.00 51.22 C ATOM 850 O GLY A 56 19.503 -18.171 -29.399 1.00 53.50 O ATOM 0 H GLY A 56 21.599 -15.345 -30.008 1.00 1.30 H new ATOM 0 HA2 GLY A 56 18.824 -15.026 -29.640 1.00 11.21 H new ATOM 0 HA3 GLY A 56 19.627 -16.020 -30.839 1.00 11.21 H new ATOM 854 N ASP A 57 18.304 -16.873 -28.006 1.00 33.54 N ATOM 855 CA ASP A 57 17.800 -17.994 -27.219 1.00 44.24 C ATOM 856 C ASP A 57 18.943 -18.725 -26.522 1.00 21.11 C ATOM 857 O ASP A 57 20.107 -18.577 -26.893 1.00 74.34 O ATOM 858 CB ASP A 57 17.027 -18.965 -28.113 1.00 11.22 C ATOM 859 CG ASP A 57 15.926 -19.689 -27.363 1.00 62.53 C ATOM 860 OD1 ASP A 57 14.986 -19.016 -26.892 1.00 52.22 O ATOM 861 OD2 ASP A 57 16.005 -20.930 -27.249 1.00 34.34 O ATOM 0 H ASP A 57 17.978 -15.958 -27.694 1.00 33.54 H new ATOM 0 HA ASP A 57 17.127 -17.599 -26.458 1.00 44.24 H new ATOM 0 HB2 ASP A 57 16.594 -18.418 -28.950 1.00 11.22 H new ATOM 0 HB3 ASP A 57 17.718 -19.696 -28.534 1.00 11.22 H new ATOM 866 N GLY A 58 18.602 -19.514 -25.507 1.00 65.13 N ATOM 867 CA GLY A 58 19.611 -20.256 -24.773 1.00 41.41 C ATOM 868 C GLY A 58 19.151 -20.637 -23.380 1.00 72.01 C ATOM 869 O GLY A 58 18.050 -21.159 -23.205 1.00 41.31 O ATOM 0 H GLY A 58 17.646 -19.652 -25.180 1.00 65.13 H new ATOM 0 HA2 GLY A 58 19.868 -21.159 -25.327 1.00 41.41 H new ATOM 0 HA3 GLY A 58 20.518 -19.656 -24.701 1.00 41.41 H new ATOM 873 N GLN A 59 19.996 -20.378 -22.388 1.00 0.14 N ATOM 874 CA GLN A 59 19.670 -20.700 -21.003 1.00 60.35 C ATOM 875 C GLN A 59 19.464 -19.431 -20.183 1.00 74.31 C ATOM 876 O GLN A 59 19.865 -18.342 -20.594 1.00 35.13 O ATOM 877 CB GLN A 59 20.779 -21.550 -20.381 1.00 3.33 C ATOM 878 CG GLN A 59 22.173 -20.982 -20.595 1.00 62.20 C ATOM 879 CD GLN A 59 22.957 -21.741 -21.648 1.00 33.22 C ATOM 880 OE1 GLN A 59 23.006 -21.340 -22.811 1.00 33.20 O ATOM 881 NE2 GLN A 59 23.576 -22.845 -21.245 1.00 15.35 N ATOM 0 H GLN A 59 20.911 -19.946 -22.517 1.00 0.14 H new ATOM 0 HA GLN A 59 18.740 -21.268 -20.997 1.00 60.35 H new ATOM 0 HB2 GLN A 59 20.595 -21.646 -19.311 1.00 3.33 H new ATOM 0 HB3 GLN A 59 20.736 -22.554 -20.803 1.00 3.33 H new ATOM 0 HG2 GLN A 59 22.094 -19.936 -20.890 1.00 62.20 H new ATOM 0 HG3 GLN A 59 22.720 -21.006 -19.652 1.00 62.20 H new ATOM 0 HE21 GLN A 59 23.509 -23.141 -20.271 1.00 15.35 H new ATOM 0 HE22 GLN A 59 24.119 -23.397 -21.909 1.00 15.35 H new ATOM 890 N VAL A 60 18.835 -19.579 -19.021 1.00 61.32 N ATOM 891 CA VAL A 60 18.576 -18.445 -18.142 1.00 71.23 C ATOM 892 C VAL A 60 19.421 -18.527 -16.876 1.00 33.11 C ATOM 893 O VAL A 60 19.198 -19.385 -16.023 1.00 73.54 O ATOM 894 CB VAL A 60 17.088 -18.368 -17.750 1.00 5.31 C ATOM 895 CG1 VAL A 60 16.824 -17.135 -16.898 1.00 63.43 C ATOM 896 CG2 VAL A 60 16.210 -18.366 -18.992 1.00 32.13 C ATOM 0 H VAL A 60 18.495 -20.473 -18.667 1.00 61.32 H new ATOM 0 HA VAL A 60 18.845 -17.546 -18.697 1.00 71.23 H new ATOM 0 HB VAL A 60 16.839 -19.249 -17.159 1.00 5.31 H new ATOM 0 HG11 VAL A 60 15.768 -17.097 -16.630 1.00 63.43 H new ATOM 0 HG12 VAL A 60 17.427 -17.184 -15.991 1.00 63.43 H new ATOM 0 HG13 VAL A 60 17.088 -16.240 -17.461 1.00 63.43 H new ATOM 0 HG21 VAL A 60 15.162 -18.311 -18.697 1.00 32.13 H new ATOM 0 HG22 VAL A 60 16.458 -17.504 -19.611 1.00 32.13 H new ATOM 0 HG23 VAL A 60 16.380 -19.281 -19.559 1.00 32.13 H new ATOM 906 N ASN A 61 20.392 -17.627 -16.760 1.00 33.03 N ATOM 907 CA ASN A 61 21.271 -17.597 -15.597 1.00 20.25 C ATOM 908 C ASN A 61 20.558 -16.993 -14.391 1.00 12.12 C ATOM 909 O ASN A 61 19.844 -15.997 -14.513 1.00 73.44 O ATOM 910 CB ASN A 61 22.537 -16.796 -15.909 1.00 31.44 C ATOM 911 CG ASN A 61 23.544 -16.842 -14.776 1.00 20.43 C ATOM 912 OD1 ASN A 61 23.448 -17.680 -13.878 1.00 53.33 O ATOM 913 ND2 ASN A 61 24.517 -15.940 -14.812 1.00 42.45 N ATOM 0 H ASN A 61 20.590 -16.909 -17.457 1.00 33.03 H new ATOM 0 HA ASN A 61 21.548 -18.623 -15.356 1.00 20.25 H new ATOM 0 HB2 ASN A 61 22.997 -17.187 -16.816 1.00 31.44 H new ATOM 0 HB3 ASN A 61 22.267 -15.759 -16.110 1.00 31.44 H new ATOM 0 HD21 ASN A 61 25.224 -15.923 -14.077 1.00 42.45 H new ATOM 0 HD22 ASN A 61 24.558 -15.264 -15.575 1.00 42.45 H new ATOM 920 N TYR A 62 20.757 -17.601 -13.227 1.00 32.12 N ATOM 921 CA TYR A 62 20.132 -17.125 -11.999 1.00 13.42 C ATOM 922 C TYR A 62 20.405 -15.638 -11.790 1.00 35.23 C ATOM 923 O TYR A 62 19.600 -14.927 -11.189 1.00 31.44 O ATOM 924 CB TYR A 62 20.644 -17.922 -10.798 1.00 72.33 C ATOM 925 CG TYR A 62 20.277 -17.311 -9.465 1.00 25.44 C ATOM 926 CD1 TYR A 62 18.953 -17.042 -9.141 1.00 63.44 C ATOM 927 CD2 TYR A 62 21.256 -17.004 -8.527 1.00 70.10 C ATOM 928 CE1 TYR A 62 18.614 -16.484 -7.924 1.00 44.44 C ATOM 929 CE2 TYR A 62 20.926 -16.446 -7.307 1.00 21.52 C ATOM 930 CZ TYR A 62 19.604 -16.188 -7.010 1.00 41.45 C ATOM 931 OH TYR A 62 19.270 -15.632 -5.796 1.00 65.35 O ATOM 0 H TYR A 62 21.347 -18.425 -13.108 1.00 32.12 H new ATOM 0 HA TYR A 62 19.056 -17.270 -12.090 1.00 13.42 H new ATOM 0 HB2 TYR A 62 20.243 -18.934 -10.847 1.00 72.33 H new ATOM 0 HB3 TYR A 62 21.729 -18.005 -10.864 1.00 72.33 H new ATOM 0 HD1 TYR A 62 18.175 -17.273 -9.854 1.00 63.44 H new ATOM 0 HD2 TYR A 62 22.292 -17.205 -8.756 1.00 70.10 H new ATOM 0 HE1 TYR A 62 17.580 -16.281 -7.689 1.00 44.44 H new ATOM 0 HE2 TYR A 62 21.699 -16.213 -6.590 1.00 21.52 H new ATOM 0 HH TYR A 62 20.083 -15.486 -5.268 1.00 65.35 H new ATOM 941 N GLU A 63 21.546 -15.176 -12.292 1.00 34.44 N ATOM 942 CA GLU A 63 21.925 -13.775 -12.160 1.00 43.30 C ATOM 943 C GLU A 63 21.082 -12.894 -13.077 1.00 72.04 C ATOM 944 O GLU A 63 20.582 -11.848 -12.663 1.00 75.05 O ATOM 945 CB GLU A 63 23.410 -13.593 -12.484 1.00 13.22 C ATOM 946 CG GLU A 63 24.338 -14.116 -11.400 1.00 54.41 C ATOM 947 CD GLU A 63 25.494 -13.176 -11.119 1.00 63.13 C ATOM 948 OE1 GLU A 63 25.239 -11.985 -10.845 1.00 31.11 O ATOM 949 OE2 GLU A 63 26.655 -13.633 -11.174 1.00 4.02 O ATOM 0 H GLU A 63 22.223 -15.751 -12.793 1.00 34.44 H new ATOM 0 HA GLU A 63 21.745 -13.472 -11.128 1.00 43.30 H new ATOM 0 HB2 GLU A 63 23.634 -14.104 -13.420 1.00 13.22 H new ATOM 0 HB3 GLU A 63 23.611 -12.534 -12.643 1.00 13.22 H new ATOM 0 HG2 GLU A 63 23.769 -14.271 -10.483 1.00 54.41 H new ATOM 0 HG3 GLU A 63 24.730 -15.088 -11.700 1.00 54.41 H new ATOM 956 N ASP A 64 20.929 -13.325 -14.325 1.00 3.23 N ATOM 957 CA ASP A 64 20.146 -12.577 -15.302 1.00 4.14 C ATOM 958 C ASP A 64 18.765 -12.241 -14.749 1.00 32.44 C ATOM 959 O ASP A 64 18.233 -11.158 -14.993 1.00 71.34 O ATOM 960 CB ASP A 64 20.010 -13.377 -16.598 1.00 0.10 C ATOM 961 CG ASP A 64 21.349 -13.646 -17.256 1.00 22.34 C ATOM 962 OD1 ASP A 64 22.327 -12.944 -16.921 1.00 73.23 O ATOM 963 OD2 ASP A 64 21.420 -14.560 -18.104 1.00 0.21 O ATOM 0 H ASP A 64 21.337 -14.188 -14.684 1.00 3.23 H new ATOM 0 HA ASP A 64 20.669 -11.644 -15.513 1.00 4.14 H new ATOM 0 HB2 ASP A 64 19.516 -14.325 -16.386 1.00 0.10 H new ATOM 0 HB3 ASP A 64 19.370 -12.832 -17.292 1.00 0.10 H new ATOM 968 N PHE A 65 18.188 -13.178 -14.003 1.00 2.13 N ATOM 969 CA PHE A 65 16.867 -12.983 -13.417 1.00 2.44 C ATOM 970 C PHE A 65 16.938 -12.040 -12.219 1.00 33.34 C ATOM 971 O PHE A 65 16.131 -11.119 -12.091 1.00 3.22 O ATOM 972 CB PHE A 65 16.272 -14.326 -12.989 1.00 1.20 C ATOM 973 CG PHE A 65 14.771 -14.361 -13.042 1.00 4.52 C ATOM 974 CD1 PHE A 65 14.111 -14.526 -14.249 1.00 22.43 C ATOM 975 CD2 PHE A 65 14.021 -14.228 -11.885 1.00 10.13 C ATOM 976 CE1 PHE A 65 12.730 -14.558 -14.300 1.00 45.11 C ATOM 977 CE2 PHE A 65 12.640 -14.259 -11.930 1.00 32.12 C ATOM 978 CZ PHE A 65 11.994 -14.425 -13.139 1.00 71.42 C ATOM 0 H PHE A 65 18.615 -14.080 -13.790 1.00 2.13 H new ATOM 0 HA PHE A 65 16.224 -12.534 -14.174 1.00 2.44 H new ATOM 0 HB2 PHE A 65 16.669 -15.112 -13.632 1.00 1.20 H new ATOM 0 HB3 PHE A 65 16.597 -14.551 -11.973 1.00 1.20 H new ATOM 0 HD1 PHE A 65 14.682 -14.631 -15.160 1.00 22.43 H new ATOM 0 HD2 PHE A 65 14.521 -14.099 -10.937 1.00 10.13 H new ATOM 0 HE1 PHE A 65 12.227 -14.687 -15.247 1.00 45.11 H new ATOM 0 HE2 PHE A 65 12.067 -14.154 -11.021 1.00 32.12 H new ATOM 0 HZ PHE A 65 10.915 -14.451 -13.177 1.00 71.42 H new ATOM 988 N VAL A 66 17.908 -12.279 -11.342 1.00 42.40 N ATOM 989 CA VAL A 66 18.086 -11.452 -10.154 1.00 55.02 C ATOM 990 C VAL A 66 18.411 -10.011 -10.531 1.00 55.11 C ATOM 991 O VAL A 66 18.161 -9.086 -9.759 1.00 34.25 O ATOM 992 CB VAL A 66 19.206 -12.000 -9.251 1.00 64.11 C ATOM 993 CG1 VAL A 66 19.409 -11.097 -8.044 1.00 30.53 C ATOM 994 CG2 VAL A 66 18.891 -13.423 -8.816 1.00 65.42 C ATOM 0 H VAL A 66 18.583 -13.039 -11.432 1.00 42.40 H new ATOM 0 HA VAL A 66 17.144 -11.478 -9.607 1.00 55.02 H new ATOM 0 HB VAL A 66 20.134 -12.016 -9.822 1.00 64.11 H new ATOM 0 HG11 VAL A 66 20.204 -11.500 -7.417 1.00 30.53 H new ATOM 0 HG12 VAL A 66 19.683 -10.097 -8.380 1.00 30.53 H new ATOM 0 HG13 VAL A 66 18.485 -11.046 -7.469 1.00 30.53 H new ATOM 0 HG21 VAL A 66 19.693 -13.795 -8.178 1.00 65.42 H new ATOM 0 HG22 VAL A 66 17.952 -13.435 -8.262 1.00 65.42 H new ATOM 0 HG23 VAL A 66 18.801 -14.061 -9.695 1.00 65.42 H new ATOM 1004 N GLN A 67 18.968 -9.828 -11.723 1.00 65.45 N ATOM 1005 CA GLN A 67 19.328 -8.499 -12.203 1.00 11.03 C ATOM 1006 C GLN A 67 18.082 -7.654 -12.450 1.00 63.41 C ATOM 1007 O GLN A 67 17.915 -6.589 -11.857 1.00 30.54 O ATOM 1008 CB GLN A 67 20.152 -8.602 -13.487 1.00 71.43 C ATOM 1009 CG GLN A 67 21.148 -7.467 -13.664 1.00 74.53 C ATOM 1010 CD GLN A 67 20.979 -6.744 -14.986 1.00 65.52 C ATOM 1011 OE1 GLN A 67 21.298 -7.283 -16.047 1.00 24.15 O ATOM 1012 NE2 GLN A 67 20.476 -5.517 -14.930 1.00 31.00 N ATOM 0 H GLN A 67 19.180 -10.583 -12.375 1.00 65.45 H new ATOM 0 HA GLN A 67 19.928 -8.013 -11.434 1.00 11.03 H new ATOM 0 HB2 GLN A 67 20.690 -9.550 -13.488 1.00 71.43 H new ATOM 0 HB3 GLN A 67 19.476 -8.618 -14.342 1.00 71.43 H new ATOM 0 HG2 GLN A 67 21.031 -6.755 -12.847 1.00 74.53 H new ATOM 0 HG3 GLN A 67 22.161 -7.864 -13.598 1.00 74.53 H new ATOM 0 HE21 GLN A 67 20.225 -5.109 -14.029 1.00 31.00 H new ATOM 0 HE22 GLN A 67 20.340 -4.982 -15.788 1.00 31.00 H new ATOM 1021 N MET A 68 17.212 -8.137 -13.331 1.00 14.14 N ATOM 1022 CA MET A 68 15.981 -7.426 -13.656 1.00 15.13 C ATOM 1023 C MET A 68 15.181 -7.118 -12.394 1.00 2.25 C ATOM 1024 O MET A 68 14.549 -6.067 -12.289 1.00 62.13 O ATOM 1025 CB MET A 68 15.130 -8.251 -14.623 1.00 61.03 C ATOM 1026 CG MET A 68 14.531 -7.433 -15.756 1.00 0.44 C ATOM 1027 SD MET A 68 15.518 -7.505 -17.263 1.00 20.32 S ATOM 1028 CE MET A 68 14.391 -8.357 -18.365 1.00 2.54 C ATOM 0 H MET A 68 17.336 -9.017 -13.832 1.00 14.14 H new ATOM 0 HA MET A 68 16.251 -6.484 -14.133 1.00 15.13 H new ATOM 0 HB2 MET A 68 15.743 -9.047 -15.045 1.00 61.03 H new ATOM 0 HB3 MET A 68 14.324 -8.730 -14.067 1.00 61.03 H new ATOM 0 HG2 MET A 68 13.525 -7.795 -15.968 1.00 0.44 H new ATOM 0 HG3 MET A 68 14.436 -6.395 -15.438 1.00 0.44 H new ATOM 0 HE1 MET A 68 14.606 -8.074 -19.395 1.00 2.54 H new ATOM 0 HE2 MET A 68 14.515 -9.434 -18.251 1.00 2.54 H new ATOM 0 HE3 MET A 68 13.365 -8.082 -18.120 1.00 2.54 H new ATOM 1038 N MET A 69 15.214 -8.041 -11.438 1.00 13.22 N ATOM 1039 CA MET A 69 14.492 -7.866 -10.182 1.00 65.15 C ATOM 1040 C MET A 69 14.891 -6.560 -9.503 1.00 45.24 C ATOM 1041 O MET A 69 14.038 -5.749 -9.144 1.00 14.54 O ATOM 1042 CB MET A 69 14.763 -9.045 -9.246 1.00 3.13 C ATOM 1043 CG MET A 69 13.521 -9.856 -8.914 1.00 50.41 C ATOM 1044 SD MET A 69 12.335 -8.933 -7.918 1.00 11.34 S ATOM 1045 CE MET A 69 11.111 -8.508 -9.155 1.00 22.33 C ATOM 0 H MET A 69 15.732 -8.917 -11.509 1.00 13.22 H new ATOM 0 HA MET A 69 13.426 -7.827 -10.406 1.00 65.15 H new ATOM 0 HB2 MET A 69 15.503 -9.701 -9.706 1.00 3.13 H new ATOM 0 HB3 MET A 69 15.200 -8.670 -8.321 1.00 3.13 H new ATOM 0 HG2 MET A 69 13.042 -10.175 -9.840 1.00 50.41 H new ATOM 0 HG3 MET A 69 13.814 -10.759 -8.379 1.00 50.41 H new ATOM 0 HE1 MET A 69 11.309 -7.505 -9.533 1.00 22.33 H new ATOM 0 HE2 MET A 69 11.161 -9.222 -9.977 1.00 22.33 H new ATOM 0 HE3 MET A 69 10.117 -8.538 -8.709 1.00 22.33 H new ATOM 1055 N THR A 70 16.195 -6.362 -9.330 1.00 53.34 N ATOM 1056 CA THR A 70 16.706 -5.155 -8.693 1.00 44.03 C ATOM 1057 C THR A 70 16.195 -3.903 -9.397 1.00 3.13 C ATOM 1058 O THR A 70 15.498 -3.084 -8.798 1.00 71.44 O ATOM 1059 CB THR A 70 18.247 -5.133 -8.686 1.00 74.51 C ATOM 1060 OG1 THR A 70 18.754 -6.444 -8.412 1.00 74.44 O ATOM 1061 CG2 THR A 70 18.769 -4.155 -7.646 1.00 3.45 C ATOM 0 H THR A 70 16.915 -7.022 -9.622 1.00 53.34 H new ATOM 0 HA THR A 70 16.345 -5.163 -7.665 1.00 44.03 H new ATOM 0 HB THR A 70 18.588 -4.810 -9.669 1.00 74.51 H new ATOM 0 HG1 THR A 70 19.734 -6.422 -8.411 1.00 74.44 H new ATOM 0 HG21 THR A 70 19.859 -4.157 -7.660 1.00 3.45 H new ATOM 0 HG22 THR A 70 18.405 -3.153 -7.874 1.00 3.45 H new ATOM 0 HG23 THR A 70 18.418 -4.453 -6.658 1.00 3.45 H new ATOM 1069 N ALA A 71 16.546 -3.761 -10.671 1.00 3.54 N ATOM 1070 CA ALA A 71 16.120 -2.609 -11.456 1.00 43.02 C ATOM 1071 C ALA A 71 14.601 -2.478 -11.458 1.00 41.54 C ATOM 1072 O ALA A 71 13.894 -3.330 -11.997 1.00 43.42 O ATOM 1073 CB ALA A 71 16.645 -2.719 -12.880 1.00 55.44 C ATOM 0 H ALA A 71 17.124 -4.429 -11.181 1.00 3.54 H new ATOM 0 HA ALA A 71 16.535 -1.712 -10.996 1.00 43.02 H new ATOM 0 HB1 ALA A 71 16.320 -1.852 -13.456 1.00 55.44 H new ATOM 0 HB2 ALA A 71 17.734 -2.756 -12.864 1.00 55.44 H new ATOM 0 HB3 ALA A 71 16.258 -3.627 -13.341 1.00 55.44 H new ATOM 1079 N LYS A 72 14.104 -1.405 -10.852 1.00 11.01 N ATOM 1080 CA LYS A 72 12.668 -1.161 -10.784 1.00 0.32 C ATOM 1081 C LYS A 72 12.379 0.313 -10.518 1.00 11.22 C ATOM 1082 O LYS A 72 11.213 0.704 -10.504 1.00 12.52 O ATOM 1083 CB LYS A 72 12.035 -2.021 -9.688 1.00 71.41 C ATOM 1084 CG LYS A 72 10.640 -2.514 -10.032 1.00 31.31 C ATOM 1085 CD LYS A 72 9.918 -3.046 -8.805 1.00 63.10 C ATOM 1086 CE LYS A 72 9.975 -4.565 -8.740 1.00 13.31 C ATOM 1087 NZ LYS A 72 9.227 -5.196 -9.863 1.00 24.25 N ATOM 0 H LYS A 72 14.675 -0.690 -10.401 1.00 11.01 H new ATOM 0 HA LYS A 72 12.233 -1.431 -11.746 1.00 0.32 H new ATOM 0 HB2 LYS A 72 12.678 -2.880 -9.495 1.00 71.41 H new ATOM 0 HB3 LYS A 72 11.990 -1.443 -8.765 1.00 71.41 H new ATOM 0 HG2 LYS A 72 10.063 -1.700 -10.470 1.00 31.31 H new ATOM 0 HG3 LYS A 72 10.706 -3.299 -10.785 1.00 31.31 H new ATOM 0 HD2 LYS A 72 10.368 -2.625 -7.906 1.00 63.10 H new ATOM 0 HD3 LYS A 72 8.878 -2.720 -8.824 1.00 63.10 H new ATOM 0 HE2 LYS A 72 11.015 -4.891 -8.767 1.00 13.31 H new ATOM 0 HE3 LYS A 72 9.560 -4.904 -7.791 1.00 13.31 H new ATOM 0 HZ1 LYS A 72 8.909 -6.144 -9.579 1.00 24.25 H new ATOM 0 HZ2 LYS A 72 8.401 -4.611 -10.102 1.00 24.25 H new ATOM 0 HZ3 LYS A 72 9.848 -5.274 -10.693 1.00 24.25 H new TER 1101 LYS A 72