USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 660 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 38 THR OG1 : rot -76:sc= 2.17 USER MOD Set 1.2: A 71 MET CE :methyl 150:sc= -0.917 (180deg=-4.03!) USER MOD Single : A 7 ASN : amide:sc=-0.00305 K(o=-0.003,f=-1) USER MOD Single : A 12 LYS NZ :NH3+ -141:sc= -0.0553 (180deg=-1.35!) USER MOD Single : A 18 ASN : amide:sc= -0.619! X(o=-0.62!,f=-0.16) USER MOD Single : A 21 TYR OH : rot -25:sc= 0.308 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 43 ASN : amide:sc= -1.05 K(o=-1.1,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= -0.0158 (180deg=-0.185) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.592 K(o=-0.59,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -166:sc= -0.0514 (180deg=-0.325) USER MOD Single : A 87 HIS : no HD1:sc= -0.678 K(o=-0.68,f=-0.0072) USER MOD Single : A 91 GLN : amide:sc= -2.42! K(o=-2.4!,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 59 N VAL A 6 11.548 -9.803 3.016 1.00 42.23 N ATOM 60 CA VAL A 6 12.141 -10.988 2.398 1.00 64.21 C ATOM 61 C VAL A 6 12.688 -10.702 1.005 1.00 41.01 C ATOM 62 O VAL A 6 12.480 -9.625 0.438 1.00 75.33 O ATOM 63 CB VAL A 6 11.119 -12.144 2.291 1.00 3.55 C ATOM 64 CG1 VAL A 6 10.808 -12.723 3.661 1.00 60.22 C ATOM 65 CG2 VAL A 6 9.841 -11.673 1.598 1.00 11.52 C ATOM 0 HA VAL A 6 12.964 -11.280 3.050 1.00 64.21 H new ATOM 0 HB VAL A 6 11.564 -12.934 1.685 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.087 -13.534 3.558 1.00 60.22 H new ATOM 0 HG12 VAL A 6 11.724 -13.107 4.110 1.00 60.22 H new ATOM 0 HG13 VAL A 6 10.390 -11.944 4.299 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.136 -12.502 1.533 1.00 11.52 H new ATOM 0 HG22 VAL A 6 9.395 -10.860 2.171 1.00 11.52 H new ATOM 0 HG23 VAL A 6 10.080 -11.321 0.595 1.00 11.52 H new ATOM 75 N ASN A 7 13.379 -11.710 0.477 1.00 53.22 N ATOM 76 CA ASN A 7 13.948 -11.695 -0.871 1.00 71.21 C ATOM 77 C ASN A 7 12.900 -11.362 -1.931 1.00 44.52 C ATOM 78 O ASN A 7 11.701 -11.476 -1.686 1.00 33.22 O ATOM 79 CB ASN A 7 14.555 -13.071 -1.162 1.00 54.12 C ATOM 80 CG ASN A 7 15.908 -13.284 -0.504 1.00 14.33 C ATOM 81 OD1 ASN A 7 16.668 -12.338 -0.279 1.00 32.24 O ATOM 82 ND2 ASN A 7 16.219 -14.532 -0.192 1.00 52.12 N ATOM 0 H ASN A 7 13.563 -12.577 0.982 1.00 53.22 H new ATOM 0 HA ASN A 7 14.712 -10.918 -0.913 1.00 71.21 H new ATOM 0 HB2 ASN A 7 13.867 -13.844 -0.819 1.00 54.12 H new ATOM 0 HB3 ASN A 7 14.660 -13.193 -2.240 1.00 54.12 H new ATOM 0 HD21 ASN A 7 17.114 -14.739 0.251 1.00 52.12 H new ATOM 0 HD22 ASN A 7 15.563 -15.287 -0.394 1.00 52.12 H new ATOM 89 N ALA A 8 13.369 -10.988 -3.121 1.00 60.32 N ATOM 90 CA ALA A 8 12.490 -10.563 -4.212 1.00 3.34 C ATOM 91 C ALA A 8 11.496 -11.659 -4.612 1.00 60.24 C ATOM 92 O ALA A 8 10.308 -11.392 -4.808 1.00 14.22 O ATOM 93 CB ALA A 8 13.319 -10.129 -5.416 1.00 31.02 C ATOM 0 H ALA A 8 14.361 -10.971 -3.356 1.00 60.32 H new ATOM 0 HA ALA A 8 11.907 -9.715 -3.853 1.00 3.34 H new ATOM 0 HB1 ALA A 8 12.655 -9.815 -6.221 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.964 -9.297 -5.133 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.932 -10.964 -5.756 1.00 31.02 H new ATOM 99 N PHE A 9 11.987 -12.890 -4.740 1.00 32.01 N ATOM 100 CA PHE A 9 11.133 -14.028 -5.086 1.00 51.44 C ATOM 101 C PHE A 9 10.070 -14.236 -4.011 1.00 64.40 C ATOM 102 O PHE A 9 8.868 -14.290 -4.300 1.00 61.22 O ATOM 103 CB PHE A 9 11.974 -15.304 -5.252 1.00 13.33 C ATOM 104 CG PHE A 9 11.165 -16.544 -5.557 1.00 33.31 C ATOM 105 CD1 PHE A 9 10.648 -16.754 -6.827 1.00 74.23 C ATOM 106 CD2 PHE A 9 10.926 -17.501 -4.576 1.00 60.44 C ATOM 107 CE1 PHE A 9 9.912 -17.889 -7.113 1.00 51.30 C ATOM 108 CE2 PHE A 9 10.191 -18.635 -4.859 1.00 44.20 C ATOM 109 CZ PHE A 9 9.684 -18.829 -6.128 1.00 62.30 C ATOM 0 H PHE A 9 12.971 -13.126 -4.610 1.00 32.01 H new ATOM 0 HA PHE A 9 10.639 -13.813 -6.034 1.00 51.44 H new ATOM 0 HB2 PHE A 9 12.696 -15.148 -6.054 1.00 13.33 H new ATOM 0 HB3 PHE A 9 12.544 -15.471 -4.338 1.00 13.33 H new ATOM 0 HD1 PHE A 9 10.822 -16.022 -7.602 1.00 74.23 H new ATOM 0 HD2 PHE A 9 11.320 -17.355 -3.581 1.00 60.44 H new ATOM 0 HE1 PHE A 9 9.516 -18.040 -8.106 1.00 51.30 H new ATOM 0 HE2 PHE A 9 10.013 -19.370 -4.088 1.00 44.20 H new ATOM 0 HZ PHE A 9 9.109 -19.716 -6.350 1.00 62.30 H new ATOM 119 N LEU A 10 10.537 -14.329 -2.775 1.00 11.31 N ATOM 120 CA LEU A 10 9.673 -14.562 -1.623 1.00 65.43 C ATOM 121 C LEU A 10 8.631 -13.456 -1.509 1.00 12.34 C ATOM 122 O LEU A 10 7.460 -13.716 -1.233 1.00 22.41 O ATOM 123 CB LEU A 10 10.519 -14.647 -0.342 1.00 53.03 C ATOM 124 CG LEU A 10 11.342 -15.938 -0.164 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.418 -17.144 -0.051 1.00 60.00 C ATOM 126 CD2 LEU A 10 12.338 -16.138 -1.307 1.00 5.43 C ATOM 0 H LEU A 10 11.526 -14.245 -2.540 1.00 11.31 H new ATOM 0 HA LEU A 10 9.150 -15.509 -1.758 1.00 65.43 H new ATOM 0 HB2 LEU A 10 11.202 -13.798 -0.324 1.00 53.03 H new ATOM 0 HB3 LEU A 10 9.856 -14.541 0.516 1.00 53.03 H new ATOM 0 HG LEU A 10 11.914 -15.839 0.758 1.00 71.33 H new ATOM 0 HD11 LEU A 10 11.014 -18.048 0.074 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.761 -17.020 0.810 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.817 -17.228 -0.956 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.898 -17.059 -1.144 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.799 -16.204 -2.252 1.00 5.43 H new ATOM 0 HD23 LEU A 10 13.028 -15.295 -1.340 1.00 5.43 H new ATOM 138 N ALA A 11 9.075 -12.226 -1.726 1.00 51.23 N ATOM 139 CA ALA A 11 8.193 -11.066 -1.758 1.00 43.20 C ATOM 140 C ALA A 11 7.047 -11.273 -2.746 1.00 60.02 C ATOM 141 O ALA A 11 5.887 -11.016 -2.423 1.00 21.33 O ATOM 142 CB ALA A 11 8.981 -9.813 -2.121 1.00 15.33 C ATOM 0 H ALA A 11 10.058 -12.003 -1.885 1.00 51.23 H new ATOM 0 HA ALA A 11 7.765 -10.940 -0.764 1.00 43.20 H new ATOM 0 HB1 ALA A 11 8.310 -8.954 -2.141 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.761 -9.646 -1.379 1.00 15.33 H new ATOM 0 HB3 ALA A 11 9.436 -9.941 -3.103 1.00 15.33 H new ATOM 148 N LYS A 12 7.373 -11.748 -3.954 1.00 75.22 N ATOM 149 CA LYS A 12 6.353 -11.979 -4.976 1.00 3.03 C ATOM 150 C LYS A 12 5.401 -13.088 -4.534 1.00 75.15 C ATOM 151 O LYS A 12 4.195 -13.009 -4.769 1.00 72.25 O ATOM 152 CB LYS A 12 6.978 -12.322 -6.343 1.00 62.31 C ATOM 153 CG LYS A 12 5.939 -12.397 -7.465 1.00 64.45 C ATOM 154 CD LYS A 12 6.554 -12.532 -8.862 1.00 25.11 C ATOM 155 CE LYS A 12 7.107 -13.928 -9.148 1.00 55.23 C ATOM 156 NZ LYS A 12 8.464 -14.139 -8.579 1.00 30.21 N ATOM 0 H LYS A 12 8.324 -11.977 -4.243 1.00 75.22 H new ATOM 0 HA LYS A 12 5.791 -11.053 -5.095 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.726 -11.570 -6.595 1.00 62.31 H new ATOM 0 HB3 LYS A 12 7.498 -13.277 -6.271 1.00 62.31 H new ATOM 0 HG2 LYS A 12 5.281 -13.247 -7.283 1.00 64.45 H new ATOM 0 HG3 LYS A 12 5.319 -11.501 -7.435 1.00 64.45 H new ATOM 0 HD2 LYS A 12 5.798 -12.288 -9.609 1.00 25.11 H new ATOM 0 HD3 LYS A 12 7.356 -11.802 -8.970 1.00 25.11 H new ATOM 0 HE2 LYS A 12 6.426 -14.674 -8.738 1.00 55.23 H new ATOM 0 HE3 LYS A 12 7.142 -14.086 -10.226 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 9.039 -14.691 -9.247 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 8.917 -13.218 -8.411 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 8.387 -14.656 -7.680 1.00 30.21 H new ATOM 170 N ILE A 13 5.949 -14.119 -3.889 1.00 44.14 N ATOM 171 CA ILE A 13 5.125 -15.204 -3.349 1.00 31.13 C ATOM 172 C ILE A 13 4.128 -14.651 -2.324 1.00 54.15 C ATOM 173 O ILE A 13 2.927 -14.914 -2.399 1.00 11.24 O ATOM 174 CB ILE A 13 5.985 -16.305 -2.669 1.00 33.44 C ATOM 175 CG1 ILE A 13 7.053 -16.851 -3.633 1.00 4.41 C ATOM 176 CG2 ILE A 13 5.099 -17.443 -2.154 1.00 34.00 C ATOM 177 CD1 ILE A 13 6.492 -17.607 -4.817 1.00 1.42 C ATOM 0 H ILE A 13 6.950 -14.227 -3.728 1.00 44.14 H new ATOM 0 HA ILE A 13 4.595 -15.651 -4.190 1.00 31.13 H new ATOM 0 HB ILE A 13 6.496 -15.851 -1.820 1.00 33.44 H new ATOM 0 HG12 ILE A 13 7.655 -16.019 -3.999 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.723 -17.510 -3.080 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.721 -18.203 -1.682 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.389 -17.051 -1.426 1.00 34.00 H new ATOM 0 HG23 ILE A 13 4.555 -17.886 -2.988 1.00 34.00 H new ATOM 0 HD11 ILE A 13 7.310 -17.958 -5.446 1.00 1.42 H new ATOM 0 HD12 ILE A 13 5.915 -18.461 -4.463 1.00 1.42 H new ATOM 0 HD13 ILE A 13 5.846 -16.948 -5.397 1.00 1.42 H new ATOM 189 N ALA A 14 4.642 -13.862 -1.383 1.00 10.43 N ATOM 190 CA ALA A 14 3.835 -13.305 -0.301 1.00 65.03 C ATOM 191 C ALA A 14 2.769 -12.350 -0.835 1.00 45.24 C ATOM 192 O ALA A 14 1.623 -12.375 -0.389 1.00 22.51 O ATOM 193 CB ALA A 14 4.734 -12.597 0.711 1.00 21.21 C ATOM 0 H ALA A 14 5.625 -13.592 -1.349 1.00 10.43 H new ATOM 0 HA ALA A 14 3.320 -14.127 0.196 1.00 65.03 H new ATOM 0 HB1 ALA A 14 4.123 -12.185 1.514 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.446 -13.310 1.126 1.00 21.21 H new ATOM 0 HB3 ALA A 14 5.275 -11.790 0.216 1.00 21.21 H new ATOM 199 N ALA A 15 3.151 -11.514 -1.799 1.00 74.24 N ATOM 200 CA ALA A 15 2.232 -10.536 -2.386 1.00 32.11 C ATOM 201 C ALA A 15 1.113 -11.236 -3.155 1.00 51.43 C ATOM 202 O ALA A 15 -0.066 -10.893 -3.019 1.00 74.42 O ATOM 203 CB ALA A 15 2.987 -9.576 -3.302 1.00 53.00 C ATOM 0 H ALA A 15 4.092 -11.493 -2.192 1.00 74.24 H new ATOM 0 HA ALA A 15 1.783 -9.962 -1.575 1.00 32.11 H new ATOM 0 HB1 ALA A 15 2.289 -8.856 -3.730 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.747 -9.047 -2.727 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.465 -10.139 -4.104 1.00 53.00 H new ATOM 209 N TRP A 16 1.502 -12.214 -3.960 1.00 42.31 N ATOM 210 CA TRP A 16 0.566 -13.018 -4.736 1.00 14.44 C ATOM 211 C TRP A 16 -0.420 -13.739 -3.813 1.00 61.31 C ATOM 212 O TRP A 16 -1.631 -13.730 -4.051 1.00 4.24 O ATOM 213 CB TRP A 16 1.367 -14.002 -5.607 1.00 24.40 C ATOM 214 CG TRP A 16 0.655 -15.272 -5.973 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.286 -15.454 -6.947 1.00 52.03 C ATOM 216 CD2 TRP A 16 0.862 -16.553 -5.372 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.674 -16.772 -6.983 1.00 3.11 N ATOM 218 CE2 TRP A 16 0.017 -17.465 -6.023 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.685 -17.011 -4.343 1.00 71.50 C ATOM 220 CZ2 TRP A 16 -0.025 -18.813 -5.678 1.00 15.24 C ATOM 221 CZ3 TRP A 16 1.641 -18.345 -4.001 1.00 2.41 C ATOM 222 CH2 TRP A 16 0.791 -19.234 -4.667 1.00 12.14 C ATOM 0 H TRP A 16 2.479 -12.474 -4.095 1.00 42.31 H new ATOM 0 HA TRP A 16 -0.028 -12.378 -5.388 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.658 -13.492 -6.525 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.286 -14.260 -5.081 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.668 -14.677 -7.593 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.364 -17.170 -7.620 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.345 -16.332 -3.824 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.680 -19.501 -6.192 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.273 -18.710 -3.205 1.00 2.41 H new ATOM 0 HH2 TRP A 16 0.780 -20.274 -4.376 1.00 12.14 H new ATOM 233 N LEU A 17 0.104 -14.346 -2.749 1.00 61.21 N ATOM 234 CA LEU A 17 -0.726 -15.021 -1.754 1.00 62.45 C ATOM 235 C LEU A 17 -1.627 -14.027 -1.027 1.00 2.03 C ATOM 236 O LEU A 17 -2.801 -14.303 -0.781 1.00 1.20 O ATOM 237 CB LEU A 17 0.159 -15.786 -0.752 1.00 54.03 C ATOM 238 CG LEU A 17 0.158 -17.309 -0.935 1.00 44.41 C ATOM 239 CD1 LEU A 17 1.276 -17.963 -0.132 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.205 -17.880 -0.548 1.00 20.20 C ATOM 0 H LEU A 17 1.104 -14.384 -2.554 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.366 -15.736 -2.271 1.00 62.45 H new ATOM 0 HB2 LEU A 17 1.183 -15.423 -0.840 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.175 -15.554 0.259 1.00 54.03 H new ATOM 0 HG LEU A 17 0.343 -17.531 -1.986 1.00 44.41 H new ATOM 0 HD11 LEU A 17 1.249 -19.042 -0.283 1.00 31.01 H new ATOM 0 HD12 LEU A 17 2.238 -17.574 -0.465 1.00 31.01 H new ATOM 0 HD13 LEU A 17 1.142 -17.741 0.927 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.197 -18.962 -0.681 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.415 -17.644 0.495 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -1.976 -17.442 -1.182 1.00 20.20 H new ATOM 252 N ASN A 18 -1.070 -12.867 -0.702 1.00 65.13 N ATOM 253 CA ASN A 18 -1.817 -11.811 -0.020 1.00 45.11 C ATOM 254 C ASN A 18 -3.007 -11.394 -0.885 1.00 52.24 C ATOM 255 O ASN A 18 -4.101 -11.150 -0.383 1.00 12.31 O ATOM 256 CB ASN A 18 -0.893 -10.604 0.259 1.00 44.01 C ATOM 257 CG ASN A 18 -1.456 -9.558 1.229 1.00 55.42 C ATOM 258 OD1 ASN A 18 -0.691 -8.896 1.932 1.00 21.33 O ATOM 259 ND2 ASN A 18 -2.769 -9.372 1.276 1.00 62.40 N ATOM 0 H ASN A 18 -0.098 -12.630 -0.900 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.188 -12.183 0.935 1.00 45.11 H new ATOM 0 HB2 ASN A 18 0.051 -10.975 0.658 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.668 -10.113 -0.688 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -3.163 -8.670 1.903 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -3.385 -9.931 0.685 1.00 62.40 H new ATOM 266 N ALA A 19 -2.781 -11.332 -2.193 1.00 61.24 N ATOM 267 CA ALA A 19 -3.832 -10.976 -3.140 1.00 24.21 C ATOM 268 C ALA A 19 -4.867 -12.095 -3.244 1.00 11.54 C ATOM 269 O ALA A 19 -6.026 -11.855 -3.583 1.00 11.42 O ATOM 270 CB ALA A 19 -3.227 -10.669 -4.505 1.00 61.32 C ATOM 0 H ALA A 19 -1.876 -11.524 -2.623 1.00 61.24 H new ATOM 0 HA ALA A 19 -4.339 -10.082 -2.777 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -4.021 -10.405 -5.204 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.530 -9.836 -4.415 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.697 -11.547 -4.874 1.00 61.32 H new ATOM 276 N GLY A 20 -4.438 -13.319 -2.942 1.00 74.52 N ATOM 277 CA GLY A 20 -5.327 -14.466 -3.003 1.00 23.12 C ATOM 278 C GLY A 20 -6.198 -14.582 -1.768 1.00 55.43 C ATOM 279 O GLY A 20 -7.373 -14.946 -1.860 1.00 43.31 O ATOM 0 H GLY A 20 -3.484 -13.536 -2.654 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -5.961 -14.386 -3.886 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -4.737 -15.375 -3.116 1.00 23.12 H new ATOM 283 N TYR A 21 -5.619 -14.271 -0.609 1.00 62.21 N ATOM 284 CA TYR A 21 -6.332 -14.347 0.668 1.00 10.20 C ATOM 285 C TYR A 21 -5.988 -13.145 1.557 1.00 4.45 C ATOM 286 O TYR A 21 -5.269 -13.286 2.549 1.00 64.21 O ATOM 287 CB TYR A 21 -5.981 -15.645 1.411 1.00 61.50 C ATOM 288 CG TYR A 21 -6.359 -16.921 0.680 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.679 -17.360 0.638 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.390 -17.699 0.053 1.00 62.43 C ATOM 291 CE1 TYR A 21 -8.022 -18.530 -0.012 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.724 -18.872 -0.594 1.00 2.43 C ATOM 293 CZ TYR A 21 -7.040 -19.283 -0.627 1.00 65.41 C ATOM 294 OH TYR A 21 -7.374 -20.459 -1.263 1.00 73.14 O ATOM 0 H TYR A 21 -4.651 -13.962 -0.527 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.400 -14.336 0.451 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.908 -15.658 1.604 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -6.479 -15.638 2.381 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.448 -16.776 1.122 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.359 -17.379 0.073 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -9.052 -18.854 -0.039 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -4.958 -19.465 -1.072 1.00 2.43 H new ATOM 0 HH TYR A 21 -8.197 -20.820 -0.872 1.00 73.14 H new ATOM 304 N PRO A 22 -6.484 -11.943 1.215 1.00 33.03 N ATOM 305 CA PRO A 22 -6.221 -10.734 2.005 1.00 62.52 C ATOM 306 C PRO A 22 -6.969 -10.732 3.342 1.00 1.51 C ATOM 307 O PRO A 22 -6.646 -9.955 4.246 1.00 55.41 O ATOM 308 CB PRO A 22 -6.718 -9.603 1.094 1.00 44.14 C ATOM 309 CG PRO A 22 -7.761 -10.235 0.237 1.00 13.52 C ATOM 310 CD PRO A 22 -7.321 -11.661 0.028 1.00 34.34 C ATOM 0 HA PRO A 22 -5.170 -10.643 2.280 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -7.130 -8.779 1.676 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -5.906 -9.194 0.492 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -8.738 -10.195 0.719 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -7.853 -9.712 -0.715 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.173 -12.339 -0.033 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -6.756 -11.775 -0.897 1.00 34.34 H new ATOM 318 N GLU A 23 -7.962 -11.610 3.465 1.00 61.20 N ATOM 319 CA GLU A 23 -8.790 -11.682 4.671 1.00 14.11 C ATOM 320 C GLU A 23 -8.580 -13.006 5.407 1.00 1.14 C ATOM 321 O GLU A 23 -9.431 -13.433 6.195 1.00 3.25 O ATOM 322 CB GLU A 23 -10.279 -11.490 4.322 1.00 54.54 C ATOM 323 CG GLU A 23 -10.883 -12.576 3.430 1.00 45.01 C ATOM 324 CD GLU A 23 -10.315 -12.580 2.020 1.00 53.32 C ATOM 325 OE1 GLU A 23 -10.674 -11.687 1.224 1.00 54.44 O ATOM 326 OE2 GLU A 23 -9.506 -13.478 1.702 1.00 44.43 O ATOM 0 H GLU A 23 -8.215 -12.284 2.743 1.00 61.20 H new ATOM 0 HA GLU A 23 -8.482 -10.874 5.335 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -10.850 -11.444 5.249 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -10.398 -10.527 3.826 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -10.709 -13.550 3.887 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -11.963 -12.436 3.379 1.00 45.01 H new ATOM 333 N GLY A 24 -7.434 -13.640 5.169 1.00 55.34 N ATOM 334 CA GLY A 24 -7.124 -14.901 5.819 1.00 5.42 C ATOM 335 C GLY A 24 -7.540 -16.090 4.980 1.00 72.15 C ATOM 336 O GLY A 24 -8.321 -15.950 4.037 1.00 1.40 O ATOM 0 H GLY A 24 -6.712 -13.300 4.534 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -6.053 -14.953 6.016 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -7.628 -14.945 6.784 1.00 5.42 H new ATOM 340 N VAL A 25 -7.034 -17.265 5.327 1.00 31.52 N ATOM 341 CA VAL A 25 -7.311 -18.477 4.564 1.00 42.05 C ATOM 342 C VAL A 25 -7.663 -19.637 5.500 1.00 51.00 C ATOM 343 O VAL A 25 -6.932 -19.914 6.450 1.00 41.02 O ATOM 344 CB VAL A 25 -6.107 -18.849 3.654 1.00 71.20 C ATOM 345 CG1 VAL A 25 -4.797 -18.859 4.436 1.00 42.22 C ATOM 346 CG2 VAL A 25 -6.334 -20.190 2.954 1.00 50.32 C ATOM 0 H VAL A 25 -6.427 -17.406 6.135 1.00 31.52 H new ATOM 0 HA VAL A 25 -8.170 -18.283 3.922 1.00 42.05 H new ATOM 0 HB VAL A 25 -6.030 -18.078 2.887 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -3.977 -19.123 3.768 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -4.618 -17.870 4.858 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -4.859 -19.591 5.241 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -5.475 -20.422 2.325 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -6.459 -20.974 3.701 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -7.230 -20.131 2.336 1.00 50.32 H new ATOM 356 N PRO A 26 -8.804 -20.317 5.256 1.00 73.25 N ATOM 357 CA PRO A 26 -9.253 -21.438 6.094 1.00 54.21 C ATOM 358 C PRO A 26 -8.429 -22.710 5.860 1.00 64.34 C ATOM 359 O PRO A 26 -7.741 -22.839 4.844 1.00 2.12 O ATOM 360 CB PRO A 26 -10.712 -21.638 5.660 1.00 23.03 C ATOM 361 CG PRO A 26 -10.749 -21.170 4.245 1.00 64.34 C ATOM 362 CD PRO A 26 -9.748 -20.045 4.147 1.00 63.21 C ATOM 0 HA PRO A 26 -9.139 -21.229 7.158 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -11.010 -22.683 5.740 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.395 -21.063 6.286 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.493 -21.979 3.561 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.748 -20.827 3.974 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -9.242 -20.043 3.182 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -10.227 -19.072 4.258 1.00 63.21 H new ATOM 370 N GLY A 27 -8.505 -23.636 6.816 1.00 3.45 N ATOM 371 CA GLY A 27 -7.753 -24.885 6.745 1.00 3.53 C ATOM 372 C GLY A 27 -7.956 -25.639 5.437 1.00 40.15 C ATOM 373 O GLY A 27 -6.976 -25.979 4.766 1.00 54.14 O ATOM 0 H GLY A 27 -9.083 -23.542 7.651 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -6.692 -24.669 6.871 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.049 -25.526 7.575 1.00 3.53 H new ATOM 377 N PRO A 28 -9.224 -25.912 5.042 1.00 4.10 N ATOM 378 CA PRO A 28 -9.540 -26.618 3.785 1.00 31.40 C ATOM 379 C PRO A 28 -8.830 -26.030 2.560 1.00 1.42 C ATOM 380 O PRO A 28 -8.650 -26.716 1.554 1.00 5.10 O ATOM 381 CB PRO A 28 -11.061 -26.448 3.659 1.00 12.20 C ATOM 382 CG PRO A 28 -11.540 -26.321 5.065 1.00 51.25 C ATOM 383 CD PRO A 28 -10.453 -25.583 5.803 1.00 54.20 C ATOM 0 HA PRO A 28 -9.206 -27.655 3.816 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.314 -25.565 3.072 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.516 -27.304 3.160 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -12.483 -25.776 5.109 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -11.718 -27.301 5.508 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -10.638 -24.509 5.819 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -10.381 -25.910 6.840 1.00 54.20 H new ATOM 391 N ASP A 29 -8.428 -24.763 2.648 1.00 63.12 N ATOM 392 CA ASP A 29 -7.719 -24.096 1.554 1.00 75.13 C ATOM 393 C ASP A 29 -6.217 -24.124 1.817 1.00 41.35 C ATOM 394 O ASP A 29 -5.411 -24.264 0.897 1.00 20.04 O ATOM 395 CB ASP A 29 -8.200 -22.643 1.402 1.00 13.15 C ATOM 396 CG ASP A 29 -9.626 -22.535 0.881 1.00 11.41 C ATOM 397 OD1 ASP A 29 -10.555 -23.028 1.558 1.00 33.11 O ATOM 398 OD2 ASP A 29 -9.828 -21.958 -0.210 1.00 42.44 O ATOM 0 H ASP A 29 -8.581 -24.175 3.468 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.931 -24.628 0.627 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.134 -22.142 2.368 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.531 -22.115 0.723 1.00 13.15 H new ATOM 403 N ARG A 30 -5.856 -24.032 3.092 1.00 54.40 N ATOM 404 CA ARG A 30 -4.458 -23.974 3.505 1.00 24.35 C ATOM 405 C ARG A 30 -3.711 -25.267 3.181 1.00 11.25 C ATOM 406 O ARG A 30 -2.591 -25.228 2.670 1.00 45.02 O ATOM 407 CB ARG A 30 -4.356 -23.677 5.006 1.00 44.21 C ATOM 408 CG ARG A 30 -4.667 -22.236 5.373 1.00 23.22 C ATOM 409 CD ARG A 30 -4.443 -21.966 6.862 1.00 3.15 C ATOM 410 NE ARG A 30 -5.699 -21.914 7.614 1.00 71.13 N ATOM 411 CZ ARG A 30 -5.802 -22.111 8.931 1.00 23.15 C ATOM 412 NH1 ARG A 30 -4.744 -22.495 9.639 1.00 65.41 N ATOM 413 NH2 ARG A 30 -6.968 -21.933 9.538 1.00 74.54 N ATOM 0 H ARG A 30 -6.520 -23.996 3.865 1.00 54.40 H new ATOM 0 HA ARG A 30 -3.989 -23.168 2.942 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -5.040 -24.334 5.543 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.349 -23.919 5.346 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.039 -21.568 4.784 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -5.702 -22.011 5.115 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -3.805 -22.746 7.278 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -3.911 -21.022 6.982 1.00 3.15 H new ATOM 0 HE ARG A 30 -6.554 -21.713 7.096 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -3.847 -22.641 9.177 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -4.830 -22.644 10.644 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -7.785 -21.646 8.999 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -7.048 -22.083 10.544 1.00 74.54 H new ATOM 427 N VAL A 31 -4.330 -26.407 3.481 1.00 12.44 N ATOM 428 CA VAL A 31 -3.685 -27.706 3.269 1.00 14.30 C ATOM 429 C VAL A 31 -3.276 -27.886 1.795 1.00 1.22 C ATOM 430 O VAL A 31 -2.109 -28.168 1.507 1.00 3.34 O ATOM 431 CB VAL A 31 -4.582 -28.893 3.724 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.866 -30.227 3.528 1.00 35.31 C ATOM 433 CG2 VAL A 31 -5.011 -28.730 5.179 1.00 61.25 C ATOM 0 H VAL A 31 -5.272 -26.461 3.869 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.789 -27.714 3.889 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.476 -28.888 3.101 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.515 -31.040 3.854 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.622 -30.358 2.474 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.948 -30.237 4.116 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.637 -29.573 5.470 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -4.128 -28.696 5.817 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.575 -27.804 5.290 1.00 61.25 H new ATOM 443 N PRO A 32 -4.215 -27.717 0.831 1.00 64.13 N ATOM 444 CA PRO A 32 -3.886 -27.813 -0.593 1.00 15.21 C ATOM 445 C PRO A 32 -3.007 -26.647 -1.053 1.00 21.04 C ATOM 446 O PRO A 32 -2.200 -26.803 -1.971 1.00 13.40 O ATOM 447 CB PRO A 32 -5.255 -27.795 -1.288 1.00 64.15 C ATOM 448 CG PRO A 32 -6.150 -27.078 -0.339 1.00 73.12 C ATOM 449 CD PRO A 32 -5.651 -27.427 1.040 1.00 53.53 C ATOM 0 HA PRO A 32 -3.308 -28.707 -0.827 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -5.205 -27.283 -2.249 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.613 -28.806 -1.484 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -6.115 -26.001 -0.506 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -7.187 -27.388 -0.470 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.795 -26.603 1.738 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -6.178 -28.289 1.450 1.00 53.53 H new ATOM 457 N LEU A 33 -3.165 -25.481 -0.408 1.00 51.45 N ATOM 458 CA LEU A 33 -2.321 -24.322 -0.706 1.00 71.25 C ATOM 459 C LEU A 33 -0.855 -24.695 -0.510 1.00 22.31 C ATOM 460 O LEU A 33 -0.025 -24.496 -1.398 1.00 14.43 O ATOM 461 CB LEU A 33 -2.709 -23.133 0.212 1.00 44.31 C ATOM 462 CG LEU A 33 -2.096 -21.754 -0.129 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.631 -21.663 0.294 1.00 72.23 C ATOM 464 CD2 LEU A 33 -2.249 -21.450 -1.618 1.00 5.41 C ATOM 0 H LEU A 33 -3.864 -25.320 0.317 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.472 -24.020 -1.742 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.794 -23.034 0.198 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.425 -23.387 1.233 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.645 -21.003 0.438 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.238 -20.679 0.037 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.553 -21.815 1.371 1.00 72.23 H new ATOM 0 HD13 LEU A 33 -0.055 -22.430 -0.223 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.812 -20.476 -1.837 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.738 -22.217 -2.200 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -3.307 -21.440 -1.881 1.00 5.41 H new ATOM 476 N LEU A 34 -0.554 -25.292 0.634 1.00 52.24 N ATOM 477 CA LEU A 34 0.806 -25.703 0.937 1.00 54.12 C ATOM 478 C LEU A 34 1.219 -26.862 0.053 1.00 50.24 C ATOM 479 O LEU A 34 2.341 -26.895 -0.448 1.00 13.00 O ATOM 480 CB LEU A 34 0.953 -26.078 2.417 1.00 2.21 C ATOM 481 CG LEU A 34 1.438 -24.944 3.330 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.838 -24.492 2.917 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.455 -23.772 3.312 1.00 74.02 C ATOM 0 H LEU A 34 -1.233 -25.502 1.366 1.00 52.24 H new ATOM 0 HA LEU A 34 1.466 -24.859 0.736 1.00 54.12 H new ATOM 0 HB2 LEU A 34 -0.010 -26.432 2.784 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.650 -26.912 2.497 1.00 2.21 H new ATOM 0 HG LEU A 34 1.487 -25.320 4.352 1.00 0.45 H new ATOM 0 HD11 LEU A 34 3.169 -23.687 3.573 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.529 -25.331 2.995 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.816 -24.135 1.887 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.820 -22.981 3.967 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.364 -23.389 2.296 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.521 -24.110 3.661 1.00 74.02 H new ATOM 495 N ALA A 35 0.310 -27.810 -0.143 1.00 22.33 N ATOM 496 CA ALA A 35 0.583 -28.956 -1.001 1.00 2.14 C ATOM 497 C ALA A 35 1.057 -28.491 -2.378 1.00 71.13 C ATOM 498 O ALA A 35 1.989 -29.056 -2.953 1.00 71.44 O ATOM 499 CB ALA A 35 -0.652 -29.840 -1.125 1.00 72.12 C ATOM 0 H ALA A 35 -0.619 -27.808 0.279 1.00 22.33 H new ATOM 0 HA ALA A 35 1.378 -29.546 -0.546 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.428 -30.690 -1.769 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -0.943 -30.200 -0.138 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.470 -29.263 -1.556 1.00 72.12 H new ATOM 505 N LEU A 36 0.418 -27.440 -2.880 1.00 60.32 N ATOM 506 CA LEU A 36 0.757 -26.865 -4.179 1.00 5.22 C ATOM 507 C LEU A 36 2.112 -26.146 -4.115 1.00 32.42 C ATOM 508 O LEU A 36 3.010 -26.427 -4.908 1.00 24.53 O ATOM 509 CB LEU A 36 -0.366 -25.902 -4.619 1.00 43.41 C ATOM 510 CG LEU A 36 -0.309 -25.375 -6.074 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.750 -24.282 -6.242 1.00 3.22 C ATOM 512 CD2 LEU A 36 -0.059 -26.522 -7.057 1.00 70.30 C ATOM 0 H LEU A 36 -0.346 -26.964 -2.401 1.00 60.32 H new ATOM 0 HA LEU A 36 0.845 -27.663 -4.917 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.321 -26.409 -4.479 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.359 -25.044 -3.947 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.279 -24.930 -6.297 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.758 -23.939 -7.277 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.516 -23.445 -5.584 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.731 -24.683 -5.985 1.00 3.22 H new ATOM 0 HD21 LEU A 36 -0.023 -26.129 -8.073 1.00 70.30 H new ATOM 0 HD22 LEU A 36 0.890 -27.004 -6.820 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.866 -27.251 -6.978 1.00 70.30 H new ATOM 524 N LEU A 37 2.254 -25.229 -3.161 1.00 22.00 N ATOM 525 CA LEU A 37 3.462 -24.404 -3.051 1.00 0.21 C ATOM 526 C LEU A 37 4.716 -25.248 -2.820 1.00 50.35 C ATOM 527 O LEU A 37 5.746 -25.020 -3.452 1.00 73.01 O ATOM 528 CB LEU A 37 3.299 -23.362 -1.927 1.00 72.43 C ATOM 529 CG LEU A 37 2.647 -22.031 -2.349 1.00 43.44 C ATOM 530 CD1 LEU A 37 3.551 -21.279 -3.320 1.00 4.05 C ATOM 531 CD2 LEU A 37 1.268 -22.264 -2.965 1.00 24.13 C ATOM 0 H LEU A 37 1.548 -25.036 -2.450 1.00 22.00 H new ATOM 0 HA LEU A 37 3.591 -23.887 -4.002 1.00 0.21 H new ATOM 0 HB2 LEU A 37 2.701 -23.803 -1.130 1.00 72.43 H new ATOM 0 HB3 LEU A 37 4.282 -23.148 -1.507 1.00 72.43 H new ATOM 0 HG LEU A 37 2.515 -21.421 -1.456 1.00 43.44 H new ATOM 0 HD11 LEU A 37 3.076 -20.341 -3.608 1.00 4.05 H new ATOM 0 HD12 LEU A 37 4.506 -21.069 -2.839 1.00 4.05 H new ATOM 0 HD13 LEU A 37 3.718 -21.889 -4.208 1.00 4.05 H new ATOM 0 HD21 LEU A 37 0.832 -21.308 -3.253 1.00 24.13 H new ATOM 0 HD22 LEU A 37 1.365 -22.899 -3.846 1.00 24.13 H new ATOM 0 HD23 LEU A 37 0.622 -22.752 -2.236 1.00 24.13 H new ATOM 543 N THR A 38 4.613 -26.246 -1.948 1.00 10.21 N ATOM 544 CA THR A 38 5.780 -27.021 -1.521 1.00 5.04 C ATOM 545 C THR A 38 6.386 -27.830 -2.664 1.00 62.54 C ATOM 546 O THR A 38 7.463 -28.411 -2.517 1.00 50.11 O ATOM 547 CB THR A 38 5.438 -27.972 -0.348 1.00 61.23 C ATOM 548 OG1 THR A 38 4.311 -28.795 -0.692 1.00 1.52 O ATOM 549 CG2 THR A 38 5.134 -27.188 0.927 1.00 31.33 C ATOM 0 H THR A 38 3.734 -26.540 -1.521 1.00 10.21 H new ATOM 0 HA THR A 38 6.516 -26.291 -1.185 1.00 5.04 H new ATOM 0 HB THR A 38 6.306 -28.604 -0.163 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.488 -28.268 -0.623 1.00 1.52 H new ATOM 0 HG21 THR A 38 4.897 -27.882 1.733 1.00 31.33 H new ATOM 0 HG22 THR A 38 6.004 -26.593 1.204 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.283 -26.529 0.755 1.00 31.33 H new ATOM 557 N ARG A 39 5.689 -27.884 -3.794 1.00 14.25 N ATOM 558 CA ARG A 39 6.203 -28.564 -4.969 1.00 24.04 C ATOM 559 C ARG A 39 7.478 -27.878 -5.466 1.00 71.34 C ATOM 560 O ARG A 39 8.489 -28.532 -5.720 1.00 72.22 O ATOM 561 CB ARG A 39 5.138 -28.573 -6.063 1.00 54.52 C ATOM 562 CG ARG A 39 3.819 -29.235 -5.654 1.00 31.23 C ATOM 563 CD ARG A 39 4.014 -30.612 -5.018 1.00 22.04 C ATOM 564 NE ARG A 39 4.302 -30.514 -3.581 1.00 23.20 N ATOM 565 CZ ARG A 39 5.038 -31.387 -2.892 1.00 2.41 C ATOM 566 NH1 ARG A 39 5.590 -32.429 -3.503 1.00 33.22 N ATOM 567 NH2 ARG A 39 5.223 -31.212 -1.591 1.00 12.20 N ATOM 0 H ARG A 39 4.768 -27.464 -3.917 1.00 14.25 H new ATOM 0 HA ARG A 39 6.450 -29.593 -4.707 1.00 24.04 H new ATOM 0 HB2 ARG A 39 4.937 -27.546 -6.366 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.535 -29.091 -6.936 1.00 54.52 H new ATOM 0 HG2 ARG A 39 3.296 -28.587 -4.951 1.00 31.23 H new ATOM 0 HG3 ARG A 39 3.181 -29.333 -6.532 1.00 31.23 H new ATOM 0 HD2 ARG A 39 3.117 -31.212 -5.169 1.00 22.04 H new ATOM 0 HD3 ARG A 39 4.832 -31.131 -5.518 1.00 22.04 H new ATOM 0 HE ARG A 39 3.911 -29.721 -3.073 1.00 23.20 H new ATOM 0 HH11 ARG A 39 5.452 -32.565 -4.504 1.00 33.22 H new ATOM 0 HH12 ARG A 39 6.152 -33.093 -2.971 1.00 33.22 H new ATOM 0 HH21 ARG A 39 4.803 -30.411 -1.119 1.00 12.20 H new ATOM 0 HH22 ARG A 39 5.785 -31.878 -1.062 1.00 12.20 H new ATOM 581 N ARG A 40 7.417 -26.555 -5.611 1.00 53.35 N ATOM 582 CA ARG A 40 8.579 -25.758 -5.994 1.00 42.31 C ATOM 583 C ARG A 40 8.833 -24.684 -4.949 1.00 74.53 C ATOM 584 O ARG A 40 8.521 -23.513 -5.172 1.00 12.24 O ATOM 585 CB ARG A 40 8.351 -25.097 -7.353 1.00 64.35 C ATOM 586 CG ARG A 40 7.860 -26.056 -8.421 1.00 51.10 C ATOM 587 CD ARG A 40 7.330 -25.314 -9.636 1.00 53.50 C ATOM 588 NE ARG A 40 8.392 -24.668 -10.421 1.00 44.33 N ATOM 589 CZ ARG A 40 9.292 -25.323 -11.169 1.00 71.12 C ATOM 590 NH1 ARG A 40 9.302 -26.651 -11.205 1.00 73.41 N ATOM 591 NH2 ARG A 40 10.185 -24.650 -11.883 1.00 72.30 N ATOM 0 H ARG A 40 6.567 -26.010 -5.467 1.00 53.35 H new ATOM 0 HA ARG A 40 9.444 -26.418 -6.061 1.00 42.31 H new ATOM 0 HB2 ARG A 40 7.625 -24.292 -7.239 1.00 64.35 H new ATOM 0 HB3 ARG A 40 9.283 -24.641 -7.687 1.00 64.35 H new ATOM 0 HG2 ARG A 40 8.675 -26.714 -8.722 1.00 51.10 H new ATOM 0 HG3 ARG A 40 7.074 -26.689 -8.009 1.00 51.10 H new ATOM 0 HD2 ARG A 40 6.788 -26.012 -10.274 1.00 53.50 H new ATOM 0 HD3 ARG A 40 6.615 -24.558 -9.310 1.00 53.50 H new ATOM 0 HE ARG A 40 8.448 -23.650 -10.395 1.00 44.33 H new ATOM 0 HH11 ARG A 40 8.621 -27.181 -10.661 1.00 73.41 H new ATOM 0 HH12 ARG A 40 9.990 -27.141 -11.777 1.00 73.41 H new ATOM 0 HH21 ARG A 40 10.189 -23.630 -11.864 1.00 72.30 H new ATOM 0 HH22 ARG A 40 10.868 -25.152 -12.450 1.00 72.30 H new ATOM 605 N LEU A 41 9.368 -25.093 -3.807 1.00 34.24 N ATOM 606 CA LEU A 41 9.624 -24.176 -2.701 1.00 61.12 C ATOM 607 C LEU A 41 10.428 -24.896 -1.616 1.00 73.41 C ATOM 608 O LEU A 41 10.109 -26.033 -1.254 1.00 54.35 O ATOM 609 CB LEU A 41 8.286 -23.651 -2.129 1.00 3.20 C ATOM 610 CG LEU A 41 8.258 -22.158 -1.761 1.00 25.42 C ATOM 611 CD1 LEU A 41 8.396 -21.296 -3.016 1.00 35.11 C ATOM 612 CD2 LEU A 41 6.976 -21.810 -1.006 1.00 65.23 C ATOM 0 H LEU A 41 9.635 -26.059 -3.620 1.00 34.24 H new ATOM 0 HA LEU A 41 10.201 -23.324 -3.061 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.500 -23.841 -2.860 1.00 3.20 H new ATOM 0 HB3 LEU A 41 8.040 -24.230 -1.239 1.00 3.20 H new ATOM 0 HG LEU A 41 9.104 -21.951 -1.106 1.00 25.42 H new ATOM 0 HD11 LEU A 41 8.374 -20.242 -2.738 1.00 35.11 H new ATOM 0 HD12 LEU A 41 9.341 -21.521 -3.510 1.00 35.11 H new ATOM 0 HD13 LEU A 41 7.571 -21.509 -3.696 1.00 35.11 H new ATOM 0 HD21 LEU A 41 6.978 -20.749 -0.756 1.00 65.23 H new ATOM 0 HD22 LEU A 41 6.113 -22.034 -1.633 1.00 65.23 H new ATOM 0 HD23 LEU A 41 6.922 -22.399 -0.090 1.00 65.23 H new ATOM 624 N THR A 42 11.474 -24.252 -1.111 1.00 74.31 N ATOM 625 CA THR A 42 12.313 -24.855 -0.073 1.00 41.11 C ATOM 626 C THR A 42 11.738 -24.584 1.319 1.00 41.00 C ATOM 627 O THR A 42 10.812 -23.781 1.472 1.00 32.31 O ATOM 628 CB THR A 42 13.767 -24.329 -0.136 1.00 51.30 C ATOM 629 OG1 THR A 42 13.789 -22.918 0.103 1.00 51.23 O ATOM 630 CG2 THR A 42 14.404 -24.627 -1.492 1.00 74.30 C ATOM 0 H THR A 42 11.763 -23.317 -1.399 1.00 74.31 H new ATOM 0 HA THR A 42 12.323 -25.929 -0.258 1.00 41.11 H new ATOM 0 HB THR A 42 14.342 -24.841 0.636 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.713 -22.594 0.063 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.425 -24.246 -1.506 1.00 74.30 H new ATOM 0 HG22 THR A 42 14.417 -25.704 -1.659 1.00 74.30 H new ATOM 0 HG23 THR A 42 13.826 -24.144 -2.280 1.00 74.30 H new ATOM 638 N ASN A 43 12.287 -25.257 2.331 1.00 61.44 N ATOM 639 CA ASN A 43 11.858 -25.053 3.716 1.00 23.11 C ATOM 640 C ASN A 43 12.203 -23.634 4.153 1.00 72.30 C ATOM 641 O ASN A 43 11.425 -22.962 4.839 1.00 71.12 O ATOM 642 CB ASN A 43 12.522 -26.075 4.657 1.00 34.35 C ATOM 643 CG ASN A 43 12.101 -27.512 4.380 1.00 3.52 C ATOM 644 OD1 ASN A 43 12.876 -28.449 4.582 1.00 54.24 O ATOM 645 ND2 ASN A 43 10.870 -27.701 3.928 1.00 61.42 N ATOM 0 H ASN A 43 13.029 -25.948 2.218 1.00 61.44 H new ATOM 0 HA ASN A 43 10.779 -25.198 3.771 1.00 23.11 H new ATOM 0 HB2 ASN A 43 13.605 -25.996 4.561 1.00 34.35 H new ATOM 0 HB3 ASN A 43 12.274 -25.824 5.688 1.00 34.35 H new ATOM 0 HD21 ASN A 43 10.537 -28.646 3.736 1.00 61.42 H new ATOM 0 HD22 ASN A 43 10.256 -26.902 3.772 1.00 61.42 H new ATOM 652 N ASP A 44 13.368 -23.182 3.719 1.00 0.21 N ATOM 653 CA ASP A 44 13.844 -21.839 4.015 1.00 22.12 C ATOM 654 C ASP A 44 12.875 -20.812 3.441 1.00 42.40 C ATOM 655 O ASP A 44 12.522 -19.830 4.099 1.00 60.34 O ATOM 656 CB ASP A 44 15.247 -21.645 3.421 1.00 1.30 C ATOM 657 CG ASP A 44 16.215 -22.735 3.861 1.00 22.22 C ATOM 658 OD1 ASP A 44 16.099 -23.876 3.362 1.00 41.24 O ATOM 659 OD2 ASP A 44 17.090 -22.465 4.711 1.00 4.40 O ATOM 0 H ASP A 44 14.011 -23.735 3.152 1.00 0.21 H new ATOM 0 HA ASP A 44 13.899 -21.702 5.095 1.00 22.12 H new ATOM 0 HB2 ASP A 44 15.181 -21.638 2.333 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.636 -20.673 3.723 1.00 1.30 H new ATOM 664 N GLU A 45 12.431 -21.069 2.214 1.00 2.43 N ATOM 665 CA GLU A 45 11.494 -20.190 1.525 1.00 12.41 C ATOM 666 C GLU A 45 10.131 -20.147 2.222 1.00 74.32 C ATOM 667 O GLU A 45 9.626 -19.063 2.531 1.00 52.21 O ATOM 668 CB GLU A 45 11.347 -20.631 0.066 1.00 10.44 C ATOM 669 CG GLU A 45 12.542 -20.241 -0.803 1.00 2.34 C ATOM 670 CD GLU A 45 12.691 -21.100 -2.045 1.00 2.35 C ATOM 671 OE1 GLU A 45 11.668 -21.492 -2.633 1.00 35.01 O ATOM 672 OE2 GLU A 45 13.845 -21.413 -2.409 1.00 64.14 O ATOM 0 H GLU A 45 12.709 -21.888 1.673 1.00 2.43 H new ATOM 0 HA GLU A 45 11.897 -19.178 1.554 1.00 12.41 H new ATOM 0 HB2 GLU A 45 11.218 -21.713 0.031 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.442 -20.189 -0.351 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.439 -19.198 -1.102 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.453 -20.314 -0.209 1.00 2.34 H new ATOM 679 N ILE A 46 9.534 -21.315 2.476 1.00 40.25 N ATOM 680 CA ILE A 46 8.227 -21.371 3.133 1.00 2.42 C ATOM 681 C ILE A 46 8.281 -20.654 4.482 1.00 23.22 C ATOM 682 O ILE A 46 7.349 -19.931 4.843 1.00 2.24 O ATOM 683 CB ILE A 46 7.702 -22.834 3.291 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.336 -22.886 4.014 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.717 -23.707 4.014 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.415 -22.934 5.533 1.00 5.20 C ATOM 0 H ILE A 46 9.930 -22.225 2.239 1.00 40.25 H new ATOM 0 HA ILE A 46 7.515 -20.855 2.490 1.00 2.42 H new ATOM 0 HB ILE A 46 7.559 -23.227 2.285 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.754 -22.012 3.723 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.790 -23.763 3.665 1.00 14.42 H new ATOM 0 HG21 ILE A 46 8.324 -24.719 4.109 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.647 -23.731 3.446 1.00 60.40 H new ATOM 0 HG23 ILE A 46 8.908 -23.297 5.006 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.408 -22.968 5.949 1.00 5.20 H new ATOM 0 HD12 ILE A 46 6.965 -23.823 5.841 1.00 5.20 H new ATOM 0 HD13 ILE A 46 6.928 -22.045 5.899 1.00 5.20 H new ATOM 698 N LYS A 47 9.380 -20.838 5.220 1.00 61.14 N ATOM 699 CA LYS A 47 9.563 -20.119 6.478 1.00 33.02 C ATOM 700 C LYS A 47 9.625 -18.615 6.229 1.00 44.41 C ATOM 701 O LYS A 47 8.976 -17.838 6.926 1.00 14.11 O ATOM 702 CB LYS A 47 10.842 -20.567 7.199 1.00 63.24 C ATOM 703 CG LYS A 47 10.740 -21.922 7.888 1.00 43.11 C ATOM 704 CD LYS A 47 12.014 -22.227 8.673 1.00 45.04 C ATOM 705 CE LYS A 47 11.903 -23.519 9.479 1.00 73.15 C ATOM 706 NZ LYS A 47 10.840 -23.443 10.518 1.00 75.33 N ATOM 0 H LYS A 47 10.143 -21.468 4.971 1.00 61.14 H new ATOM 0 HA LYS A 47 8.707 -20.350 7.112 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.657 -20.602 6.477 1.00 63.24 H new ATOM 0 HB3 LYS A 47 11.107 -19.815 7.942 1.00 63.24 H new ATOM 0 HG2 LYS A 47 9.882 -21.930 8.560 1.00 43.11 H new ATOM 0 HG3 LYS A 47 10.570 -22.701 7.145 1.00 43.11 H new ATOM 0 HD2 LYS A 47 12.854 -22.303 7.983 1.00 45.04 H new ATOM 0 HD3 LYS A 47 12.230 -21.398 9.347 1.00 45.04 H new ATOM 0 HE2 LYS A 47 11.691 -24.349 8.805 1.00 73.15 H new ATOM 0 HE3 LYS A 47 12.860 -23.732 9.955 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 10.942 -24.240 11.178 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 10.928 -22.548 11.040 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 9.906 -23.488 10.063 1.00 75.33 H new ATOM 720 N ALA A 48 10.408 -18.214 5.228 1.00 32.32 N ATOM 721 CA ALA A 48 10.577 -16.801 4.897 1.00 3.50 C ATOM 722 C ALA A 48 9.228 -16.133 4.645 1.00 23.32 C ATOM 723 O ALA A 48 9.004 -14.993 5.056 1.00 52.32 O ATOM 724 CB ALA A 48 11.487 -16.637 3.685 1.00 43.35 C ATOM 0 H ALA A 48 10.936 -18.850 4.631 1.00 32.32 H new ATOM 0 HA ALA A 48 11.045 -16.310 5.750 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.600 -15.577 3.455 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.465 -17.067 3.903 1.00 43.35 H new ATOM 0 HB3 ALA A 48 11.048 -17.149 2.829 1.00 43.35 H new ATOM 730 N ILE A 49 8.335 -16.855 3.971 1.00 73.51 N ATOM 731 CA ILE A 49 6.981 -16.366 3.714 1.00 11.34 C ATOM 732 C ILE A 49 6.277 -16.037 5.025 1.00 32.52 C ATOM 733 O ILE A 49 5.624 -14.998 5.154 1.00 25.45 O ATOM 734 CB ILE A 49 6.140 -17.400 2.917 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.794 -17.672 1.552 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.699 -16.912 2.736 1.00 22.32 C ATOM 737 CD1 ILE A 49 6.971 -16.429 0.705 1.00 74.30 C ATOM 0 H ILE A 49 8.525 -17.783 3.592 1.00 73.51 H new ATOM 0 HA ILE A 49 7.070 -15.462 3.112 1.00 11.34 H new ATOM 0 HB ILE A 49 6.110 -18.330 3.484 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.768 -18.135 1.711 1.00 71.25 H new ATOM 0 HG13 ILE A 49 6.185 -18.391 1.004 1.00 71.25 H new ATOM 0 HG21 ILE A 49 4.131 -17.654 2.175 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.239 -16.766 3.713 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.700 -15.968 2.191 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.438 -16.698 -0.243 1.00 74.30 H new ATOM 0 HD12 ILE A 49 5.998 -15.977 0.514 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.605 -15.716 1.233 1.00 74.30 H new ATOM 749 N ALA A 50 6.439 -16.915 6.008 1.00 21.02 N ATOM 750 CA ALA A 50 5.853 -16.703 7.323 1.00 1.35 C ATOM 751 C ALA A 50 6.498 -15.495 7.979 1.00 3.30 C ATOM 752 O ALA A 50 5.817 -14.591 8.446 1.00 40.12 O ATOM 753 CB ALA A 50 6.026 -17.944 8.192 1.00 61.30 C ATOM 0 H ALA A 50 6.972 -17.780 5.918 1.00 21.02 H new ATOM 0 HA ALA A 50 4.785 -16.517 7.211 1.00 1.35 H new ATOM 0 HB1 ALA A 50 5.582 -17.767 9.172 1.00 61.30 H new ATOM 0 HB2 ALA A 50 5.532 -18.792 7.718 1.00 61.30 H new ATOM 0 HB3 ALA A 50 7.088 -18.161 8.309 1.00 61.30 H new ATOM 759 N GLU A 51 7.820 -15.470 7.938 1.00 14.35 N ATOM 760 CA GLU A 51 8.618 -14.458 8.617 1.00 45.45 C ATOM 761 C GLU A 51 8.227 -13.043 8.191 1.00 61.23 C ATOM 762 O GLU A 51 8.151 -12.135 9.023 1.00 40.34 O ATOM 763 CB GLU A 51 10.099 -14.714 8.319 1.00 4.25 C ATOM 764 CG GLU A 51 10.644 -16.002 8.938 1.00 61.30 C ATOM 765 CD GLU A 51 11.111 -15.808 10.372 1.00 30.31 C ATOM 766 OE1 GLU A 51 12.038 -14.998 10.591 1.00 71.41 O ATOM 767 OE2 GLU A 51 10.567 -16.465 11.284 1.00 71.15 O ATOM 0 H GLU A 51 8.376 -16.157 7.428 1.00 14.35 H new ATOM 0 HA GLU A 51 8.432 -14.531 9.689 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.240 -14.754 7.239 1.00 4.25 H new ATOM 0 HB3 GLU A 51 10.684 -13.871 8.686 1.00 4.25 H new ATOM 0 HG2 GLU A 51 9.870 -16.769 8.912 1.00 61.30 H new ATOM 0 HG3 GLU A 51 11.475 -16.367 8.335 1.00 61.30 H new ATOM 774 N ASP A 52 7.979 -12.858 6.897 1.00 54.12 N ATOM 775 CA ASP A 52 7.599 -11.544 6.376 1.00 62.53 C ATOM 776 C ASP A 52 6.202 -11.174 6.861 1.00 5.34 C ATOM 777 O ASP A 52 5.973 -10.070 7.367 1.00 13.14 O ATOM 778 CB ASP A 52 7.633 -11.532 4.839 1.00 51.25 C ATOM 779 CG ASP A 52 7.518 -10.124 4.254 1.00 13.15 C ATOM 780 OD1 ASP A 52 6.394 -9.575 4.217 1.00 61.55 O ATOM 781 OD2 ASP A 52 8.556 -9.562 3.828 1.00 55.20 O ATOM 0 H ASP A 52 8.033 -13.594 6.193 1.00 54.12 H new ATOM 0 HA ASP A 52 8.317 -10.812 6.744 1.00 62.53 H new ATOM 0 HB2 ASP A 52 8.562 -11.988 4.497 1.00 51.25 H new ATOM 0 HB3 ASP A 52 6.818 -12.147 4.457 1.00 51.25 H new ATOM 786 N LEU A 53 5.282 -12.124 6.727 1.00 34.00 N ATOM 787 CA LEU A 53 3.879 -11.902 7.057 1.00 31.15 C ATOM 788 C LEU A 53 3.670 -11.735 8.565 1.00 63.44 C ATOM 789 O LEU A 53 2.807 -10.966 8.988 1.00 24.44 O ATOM 790 CB LEU A 53 3.023 -13.057 6.513 1.00 23.10 C ATOM 791 CG LEU A 53 2.998 -13.179 4.978 1.00 30.23 C ATOM 792 CD1 LEU A 53 2.230 -14.420 4.536 1.00 73.53 C ATOM 793 CD2 LEU A 53 2.399 -11.923 4.347 1.00 2.44 C ATOM 0 H LEU A 53 5.486 -13.064 6.389 1.00 34.00 H new ATOM 0 HA LEU A 53 3.564 -10.972 6.584 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.394 -13.993 6.931 1.00 23.10 H new ATOM 0 HB3 LEU A 53 2.001 -12.931 6.870 1.00 23.10 H new ATOM 0 HG LEU A 53 4.027 -13.281 4.634 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.230 -14.479 3.448 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.708 -15.309 4.948 1.00 73.53 H new ATOM 0 HD13 LEU A 53 1.203 -14.360 4.897 1.00 73.53 H new ATOM 0 HD21 LEU A 53 2.390 -12.029 3.262 1.00 2.44 H new ATOM 0 HD22 LEU A 53 1.379 -11.786 4.706 1.00 2.44 H new ATOM 0 HD23 LEU A 53 3.000 -11.056 4.622 1.00 2.44 H new ATOM 805 N GLU A 54 4.468 -12.435 9.372 1.00 42.35 N ATOM 806 CA GLU A 54 4.342 -12.365 10.830 1.00 71.35 C ATOM 807 C GLU A 54 4.647 -10.958 11.328 1.00 51.43 C ATOM 808 O GLU A 54 3.961 -10.447 12.215 1.00 2.04 O ATOM 809 CB GLU A 54 5.261 -13.379 11.532 1.00 71.34 C ATOM 810 CG GLU A 54 4.910 -14.835 11.247 1.00 45.42 C ATOM 811 CD GLU A 54 5.537 -15.797 12.240 1.00 2.40 C ATOM 812 OE1 GLU A 54 4.971 -15.969 13.343 1.00 1.20 O ATOM 813 OE2 GLU A 54 6.597 -16.380 11.932 1.00 25.13 O ATOM 0 H GLU A 54 5.207 -13.056 9.043 1.00 42.35 H new ATOM 0 HA GLU A 54 3.311 -12.618 11.077 1.00 71.35 H new ATOM 0 HB2 GLU A 54 6.290 -13.197 11.222 1.00 71.34 H new ATOM 0 HB3 GLU A 54 5.217 -13.209 12.608 1.00 71.34 H new ATOM 0 HG2 GLU A 54 3.827 -14.954 11.268 1.00 45.42 H new ATOM 0 HG3 GLU A 54 5.240 -15.093 10.241 1.00 45.42 H new ATOM 963 N ASP A 63 -0.968 -20.563 10.652 1.00 1.43 N ATOM 964 CA ASP A 63 0.450 -20.950 10.539 1.00 15.25 C ATOM 965 C ASP A 63 0.724 -21.816 9.311 1.00 43.10 C ATOM 966 O ASP A 63 0.322 -22.975 9.248 1.00 22.32 O ATOM 967 CB ASP A 63 0.911 -21.709 11.791 1.00 62.22 C ATOM 968 CG ASP A 63 0.765 -20.896 13.064 1.00 62.44 C ATOM 969 OD1 ASP A 63 -0.314 -20.964 13.686 1.00 71.15 O ATOM 970 OD2 ASP A 63 1.724 -20.191 13.445 1.00 31.43 O ATOM 0 HA ASP A 63 1.011 -20.021 10.436 1.00 15.25 H new ATOM 0 HB2 ASP A 63 0.333 -22.628 11.885 1.00 62.22 H new ATOM 0 HB3 ASP A 63 1.955 -21.999 11.670 1.00 62.22 H new ATOM 975 N ILE A 64 1.412 -21.230 8.344 1.00 35.01 N ATOM 976 CA ILE A 64 1.778 -21.904 7.098 1.00 74.34 C ATOM 977 C ILE A 64 2.589 -23.181 7.358 1.00 73.52 C ATOM 978 O ILE A 64 2.545 -24.131 6.572 1.00 13.12 O ATOM 979 CB ILE A 64 2.566 -20.919 6.193 1.00 55.31 C ATOM 980 CG1 ILE A 64 3.096 -21.607 4.928 1.00 32.33 C ATOM 981 CG2 ILE A 64 3.713 -20.277 6.969 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.398 -20.651 3.794 1.00 23.31 C ATOM 0 H ILE A 64 1.737 -20.265 8.398 1.00 35.01 H new ATOM 0 HA ILE A 64 0.864 -22.210 6.589 1.00 74.34 H new ATOM 0 HB ILE A 64 1.872 -20.139 5.879 1.00 55.31 H new ATOM 0 HG12 ILE A 64 4.003 -22.158 5.178 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.362 -22.338 4.589 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.253 -19.590 6.318 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.313 -19.729 7.822 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.393 -21.053 7.322 1.00 31.33 H new ATOM 0 HD11 ILE A 64 3.768 -21.211 2.935 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.489 -20.118 3.515 1.00 23.31 H new ATOM 0 HD13 ILE A 64 4.155 -19.935 4.114 1.00 23.31 H new ATOM 994 N GLY A 65 3.295 -23.207 8.481 1.00 24.22 N ATOM 995 CA GLY A 65 4.125 -24.348 8.823 1.00 1.30 C ATOM 996 C GLY A 65 3.328 -25.609 9.122 1.00 31.50 C ATOM 997 O GLY A 65 3.670 -26.690 8.635 1.00 64.12 O ATOM 0 H GLY A 65 3.308 -22.452 9.167 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.811 -24.548 8.000 1.00 1.30 H new ATOM 0 HA3 GLY A 65 4.733 -24.097 9.692 1.00 1.30 H new ATOM 1001 N VAL A 66 2.257 -25.476 9.909 1.00 52.41 N ATOM 1002 CA VAL A 66 1.499 -26.640 10.381 1.00 10.01 C ATOM 1003 C VAL A 66 0.920 -27.446 9.216 1.00 22.33 C ATOM 1004 O VAL A 66 0.859 -28.678 9.271 1.00 54.21 O ATOM 1005 CB VAL A 66 0.354 -26.248 11.358 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.702 -25.392 10.666 1.00 35.32 C ATOM 1007 CG2 VAL A 66 -0.280 -27.494 11.982 1.00 25.14 C ATOM 0 H VAL A 66 1.896 -24.579 10.232 1.00 52.41 H new ATOM 0 HA VAL A 66 2.213 -27.259 10.924 1.00 10.01 H new ATOM 0 HB VAL A 66 0.793 -25.650 12.157 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -1.487 -25.136 11.378 1.00 35.32 H new ATOM 0 HG12 VAL A 66 -0.241 -24.478 10.291 1.00 35.32 H new ATOM 0 HG13 VAL A 66 -1.134 -25.949 9.834 1.00 35.32 H new ATOM 0 HG21 VAL A 66 -1.078 -27.195 12.661 1.00 25.14 H new ATOM 0 HG22 VAL A 66 -0.692 -28.126 11.195 1.00 25.14 H new ATOM 0 HG23 VAL A 66 0.478 -28.050 12.535 1.00 25.14 H new ATOM 1017 N LEU A 67 0.507 -26.753 8.157 1.00 55.10 N ATOM 1018 CA LEU A 67 -0.090 -27.415 7.001 1.00 53.21 C ATOM 1019 C LEU A 67 0.843 -28.493 6.446 1.00 52.34 C ATOM 1020 O LEU A 67 0.399 -29.590 6.088 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.444 -26.402 5.901 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.639 -25.474 6.193 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.727 -26.186 6.996 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.190 -24.194 6.887 1.00 50.24 C ATOM 0 H LEU A 67 0.574 -25.738 8.076 1.00 55.10 H new ATOM 0 HA LEU A 67 -1.011 -27.892 7.336 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.432 -25.783 5.710 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.653 -26.951 4.983 1.00 43.44 H new ATOM 0 HG LEU A 67 -2.074 -25.197 5.233 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.552 -25.498 7.181 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -3.091 -27.046 6.433 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.315 -26.523 7.947 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -2.056 -23.561 7.079 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.706 -24.443 7.831 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.486 -23.661 6.248 1.00 50.24 H new ATOM 1036 N ILE A 68 2.137 -28.188 6.414 1.00 31.54 N ATOM 1037 CA ILE A 68 3.140 -29.117 5.895 1.00 2.51 C ATOM 1038 C ILE A 68 3.136 -30.423 6.693 1.00 51.44 C ATOM 1039 O ILE A 68 3.352 -31.506 6.137 1.00 60.32 O ATOM 1040 CB ILE A 68 4.560 -28.493 5.936 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.596 -27.183 5.130 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.601 -29.479 5.403 1.00 72.11 C ATOM 1043 CD1 ILE A 68 5.949 -26.502 5.129 1.00 31.33 C ATOM 0 H ILE A 68 2.518 -27.301 6.743 1.00 31.54 H new ATOM 0 HA ILE A 68 2.880 -29.329 4.858 1.00 2.51 H new ATOM 0 HB ILE A 68 4.804 -28.267 6.974 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.305 -27.393 4.101 1.00 32.52 H new ATOM 0 HG13 ILE A 68 3.854 -26.496 5.538 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.589 -29.021 5.441 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.595 -30.381 6.016 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.361 -29.739 4.372 1.00 72.11 H new ATOM 0 HD11 ILE A 68 5.895 -25.586 4.541 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.235 -26.259 6.152 1.00 31.33 H new ATOM 0 HD13 ILE A 68 6.692 -27.170 4.693 1.00 31.33 H new ATOM 1055 N THR A 69 2.858 -30.316 7.991 1.00 24.31 N ATOM 1056 CA THR A 69 2.873 -31.470 8.877 1.00 33.41 C ATOM 1057 C THR A 69 1.682 -32.380 8.582 1.00 42.44 C ATOM 1058 O THR A 69 1.747 -33.595 8.770 1.00 21.42 O ATOM 1059 CB THR A 69 2.848 -31.026 10.359 1.00 21.35 C ATOM 1060 OG1 THR A 69 3.940 -30.128 10.609 1.00 24.41 O ATOM 1061 CG2 THR A 69 2.947 -32.223 11.303 1.00 64.12 C ATOM 0 H THR A 69 2.619 -29.437 8.450 1.00 24.31 H new ATOM 0 HA THR A 69 3.795 -32.024 8.699 1.00 33.41 H new ATOM 0 HB THR A 69 1.899 -30.524 10.546 1.00 21.35 H new ATOM 0 HG1 THR A 69 3.923 -29.846 11.547 1.00 24.41 H new ATOM 0 HG21 THR A 69 2.927 -31.875 12.336 1.00 64.12 H new ATOM 0 HG22 THR A 69 2.105 -32.894 11.130 1.00 64.12 H new ATOM 0 HG23 THR A 69 3.880 -32.756 11.118 1.00 64.12 H new ATOM 1069 N GLN A 70 0.602 -31.784 8.095 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.594 -32.541 7.755 1.00 71.34 C ATOM 1071 C GLN A 70 -0.387 -33.270 6.432 1.00 10.03 C ATOM 1072 O GLN A 70 -0.581 -34.478 6.340 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.811 -31.614 7.668 1.00 31.34 C ATOM 1074 CG GLN A 70 -1.967 -30.691 8.873 1.00 51.21 C ATOM 1075 CD GLN A 70 -3.377 -30.137 9.006 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -4.235 -30.734 9.658 1.00 33.32 O ATOM 1077 NE2 GLN A 70 -3.629 -28.996 8.388 1.00 21.40 N ATOM 0 H GLN A 70 0.530 -30.781 7.927 1.00 34.14 H new ATOM 0 HA GLN A 70 -0.779 -33.275 8.539 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.731 -31.008 6.765 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.711 -32.220 7.567 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.708 -31.237 9.780 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -1.262 -29.864 8.786 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -2.893 -28.530 7.857 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -4.559 -28.581 8.442 1.00 21.40 H new ATOM 1086 N MET A 71 0.046 -32.517 5.427 1.00 14.01 N ATOM 1087 CA MET A 71 0.250 -33.042 4.072 1.00 13.13 C ATOM 1088 C MET A 71 1.158 -34.274 4.065 1.00 21.22 C ATOM 1089 O MET A 71 0.905 -35.240 3.344 1.00 40.43 O ATOM 1090 CB MET A 71 0.875 -31.960 3.186 1.00 61.13 C ATOM 1091 CG MET A 71 -0.041 -30.780 2.880 1.00 14.31 C ATOM 1092 SD MET A 71 0.824 -29.200 2.987 1.00 65.25 S ATOM 1093 CE MET A 71 2.332 -29.562 2.086 1.00 3.01 C ATOM 0 H MET A 71 0.267 -31.526 5.523 1.00 14.01 H new ATOM 0 HA MET A 71 -0.726 -33.335 3.687 1.00 13.13 H new ATOM 0 HB2 MET A 71 1.776 -31.586 3.673 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.186 -32.415 2.245 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.459 -30.896 1.880 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.878 -30.782 3.578 1.00 14.31 H new ATOM 0 HE1 MET A 71 2.699 -28.653 1.610 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.086 -29.940 2.776 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.129 -30.314 1.323 1.00 3.01 H new ATOM 1103 N THR A 72 2.217 -34.226 4.869 1.00 74.35 N ATOM 1104 CA THR A 72 3.211 -35.297 4.901 1.00 54.12 C ATOM 1105 C THR A 72 2.585 -36.610 5.372 1.00 21.40 C ATOM 1106 O THR A 72 3.012 -37.698 4.977 1.00 10.21 O ATOM 1107 CB THR A 72 4.406 -34.927 5.819 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.535 -35.767 5.536 1.00 54.05 O ATOM 1109 CG2 THR A 72 4.045 -35.048 7.296 1.00 32.34 C ATOM 0 H THR A 72 2.410 -33.455 5.509 1.00 74.35 H new ATOM 0 HA THR A 72 3.581 -35.427 3.884 1.00 54.12 H new ATOM 0 HB THR A 72 4.660 -33.887 5.612 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.281 -35.521 6.122 1.00 54.05 H new ATOM 0 HG21 THR A 72 4.909 -34.780 7.905 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.218 -34.376 7.525 1.00 32.34 H new ATOM 0 HG23 THR A 72 3.750 -36.074 7.516 1.00 32.34 H new ATOM 1117 N ASP A 73 1.556 -36.493 6.199 1.00 14.31 N ATOM 1118 CA ASP A 73 0.887 -37.650 6.780 1.00 73.20 C ATOM 1119 C ASP A 73 -0.280 -38.076 5.900 1.00 63.12 C ATOM 1120 O ASP A 73 -0.453 -39.259 5.592 1.00 62.50 O ATOM 1121 CB ASP A 73 0.387 -37.293 8.178 1.00 53.23 C ATOM 1122 CG ASP A 73 -0.257 -38.471 8.900 1.00 24.13 C ATOM 1123 OD1 ASP A 73 0.478 -39.287 9.496 1.00 73.12 O ATOM 1124 OD2 ASP A 73 -1.501 -38.582 8.878 1.00 61.41 O ATOM 0 H ASP A 73 1.162 -35.597 6.486 1.00 14.31 H new ATOM 0 HA ASP A 73 1.591 -38.479 6.848 1.00 73.20 H new ATOM 0 HB2 ASP A 73 1.222 -36.922 8.773 1.00 53.23 H new ATOM 0 HB3 ASP A 73 -0.336 -36.481 8.103 1.00 53.23 H new ATOM 1129 N GLU A 74 -1.071 -37.090 5.500 1.00 53.04 N ATOM 1130 CA GLU A 74 -2.222 -37.300 4.639 1.00 13.52 C ATOM 1131 C GLU A 74 -2.428 -36.072 3.758 1.00 52.34 C ATOM 1132 O GLU A 74 -2.641 -34.967 4.266 1.00 43.45 O ATOM 1133 CB GLU A 74 -3.486 -37.555 5.477 1.00 65.33 C ATOM 1134 CG GLU A 74 -4.769 -37.661 4.650 1.00 22.12 C ATOM 1135 CD GLU A 74 -6.021 -37.782 5.505 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -6.393 -36.789 6.170 1.00 51.53 O ATOM 1137 OE2 GLU A 74 -6.641 -38.867 5.519 1.00 64.11 O ATOM 0 H GLU A 74 -0.929 -36.116 5.767 1.00 53.04 H new ATOM 0 HA GLU A 74 -2.038 -38.174 4.014 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -3.354 -38.477 6.044 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -3.598 -36.748 6.201 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -4.856 -36.782 4.011 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -4.700 -38.528 3.993 1.00 22.12 H new ATOM 1144 N MET A 75 -2.344 -36.256 2.447 1.00 3.01 N ATOM 1145 CA MET A 75 -2.629 -35.173 1.517 1.00 44.15 C ATOM 1146 C MET A 75 -4.141 -34.978 1.434 1.00 2.42 C ATOM 1147 O MET A 75 -4.900 -35.940 1.567 1.00 23.31 O ATOM 1148 CB MET A 75 -2.037 -35.461 0.127 1.00 64.55 C ATOM 1149 CG MET A 75 -2.706 -36.612 -0.603 1.00 34.12 C ATOM 1150 SD MET A 75 -1.869 -37.048 -2.143 1.00 53.33 S ATOM 1151 CE MET A 75 -2.056 -35.534 -3.087 1.00 73.05 C ATOM 0 H MET A 75 -2.083 -37.138 2.007 1.00 3.01 H new ATOM 0 HA MET A 75 -2.162 -34.258 1.881 1.00 44.15 H new ATOM 0 HB2 MET A 75 -2.116 -34.562 -0.484 1.00 64.55 H new ATOM 0 HB3 MET A 75 -0.975 -35.681 0.234 1.00 64.55 H new ATOM 0 HG2 MET A 75 -2.732 -37.484 0.050 1.00 34.12 H new ATOM 0 HG3 MET A 75 -3.740 -36.346 -0.820 1.00 34.12 H new ATOM 0 HE1 MET A 75 -1.817 -35.726 -4.133 1.00 73.05 H new ATOM 0 HE2 MET A 75 -3.084 -35.181 -3.009 1.00 73.05 H new ATOM 0 HE3 MET A 75 -1.381 -34.774 -2.694 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.597 -33.735 1.226 1.00 3.41 N ATOM 1162 CA PRO A 76 -6.026 -33.405 1.256 1.00 54.22 C ATOM 1163 C PRO A 76 -6.786 -34.058 0.094 1.00 61.51 C ATOM 1164 O PRO A 76 -7.243 -35.200 0.203 1.00 1.43 O ATOM 1165 CB PRO A 76 -6.028 -31.868 1.167 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.754 -31.535 0.466 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.759 -32.559 0.935 1.00 32.14 C ATOM 0 HA PRO A 76 -6.535 -33.775 2.146 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.893 -31.503 0.613 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -6.068 -31.413 2.157 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.879 -31.576 -0.616 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -4.423 -30.526 0.711 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -3.013 -32.775 0.170 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -3.219 -32.220 1.819 1.00 32.14 H new ATOM 1175 N ARG A 77 -6.898 -33.340 -1.019 1.00 42.15 N ATOM 1176 CA ARG A 77 -7.472 -33.873 -2.246 1.00 24.23 C ATOM 1177 C ARG A 77 -6.773 -33.238 -3.430 1.00 64.03 C ATOM 1178 O ARG A 77 -6.417 -32.062 -3.378 1.00 31.21 O ATOM 1179 CB ARG A 77 -8.972 -33.579 -2.361 1.00 34.31 C ATOM 1180 CG ARG A 77 -9.877 -34.411 -1.462 1.00 65.13 C ATOM 1181 CD ARG A 77 -11.333 -34.191 -1.844 1.00 35.21 C ATOM 1182 NE ARG A 77 -12.269 -34.755 -0.868 1.00 33.43 N ATOM 1183 CZ ARG A 77 -13.290 -34.084 -0.330 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -13.454 -32.788 -0.582 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -14.134 -34.706 0.480 1.00 24.22 N ATOM 0 H ARG A 77 -6.592 -32.370 -1.094 1.00 42.15 H new ATOM 0 HA ARG A 77 -7.336 -34.954 -2.231 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -9.136 -32.525 -2.136 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -9.276 -33.734 -3.396 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -9.624 -35.467 -1.554 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -9.720 -34.136 -0.419 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -11.520 -33.122 -1.944 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -11.519 -34.639 -2.820 1.00 35.21 H new ATOM 0 HE ARG A 77 -12.131 -35.724 -0.581 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -12.797 -32.300 -1.190 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -14.237 -32.283 -0.167 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -14.003 -35.695 0.691 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -14.915 -34.196 0.892 1.00 24.22 H new ATOM 1199 N GLU A 78 -6.595 -34.003 -4.491 1.00 43.11 N ATOM 1200 CA GLU A 78 -6.035 -33.468 -5.727 1.00 10.22 C ATOM 1201 C GLU A 78 -7.034 -32.488 -6.330 1.00 23.31 C ATOM 1202 O GLU A 78 -6.664 -31.496 -6.960 1.00 30.35 O ATOM 1203 CB GLU A 78 -5.709 -34.596 -6.707 1.00 42.54 C ATOM 1204 CG GLU A 78 -4.669 -35.576 -6.172 1.00 21.42 C ATOM 1205 CD GLU A 78 -4.391 -36.717 -7.132 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -5.137 -37.717 -7.101 1.00 24.35 O ATOM 1207 OE2 GLU A 78 -3.428 -36.624 -7.920 1.00 3.12 O ATOM 0 H GLU A 78 -6.828 -34.995 -4.526 1.00 43.11 H new ATOM 0 HA GLU A 78 -5.102 -32.947 -5.513 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -6.624 -35.140 -6.942 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -5.346 -34.164 -7.640 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -3.741 -35.041 -5.972 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -5.014 -35.982 -5.221 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.307 -32.785 -6.094 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.408 -31.905 -6.461 1.00 62.11 C ATOM 1216 C GLU A 79 -9.268 -30.560 -5.750 1.00 42.33 C ATOM 1217 O GLU A 79 -9.349 -29.500 -6.370 1.00 30.53 O ATOM 1218 CB GLU A 79 -10.733 -32.574 -6.079 1.00 33.44 C ATOM 1219 CG GLU A 79 -11.969 -31.730 -6.355 1.00 54.04 C ATOM 1220 CD GLU A 79 -13.240 -32.416 -5.887 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -13.575 -32.311 -4.689 1.00 35.35 O ATOM 1222 OE2 GLU A 79 -13.906 -33.078 -6.709 1.00 35.41 O ATOM 0 H GLU A 79 -8.605 -33.648 -5.640 1.00 61.41 H new ATOM 0 HA GLU A 79 -9.389 -31.727 -7.536 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -10.821 -33.514 -6.624 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -10.708 -32.822 -5.018 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -11.870 -30.767 -5.853 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -12.039 -31.527 -7.424 1.00 54.04 H new ATOM 1229 N ASP A 80 -9.041 -30.614 -4.443 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.851 -29.408 -3.641 1.00 23.21 C ATOM 1231 C ASP A 80 -7.592 -28.670 -4.080 1.00 50.24 C ATOM 1232 O ASP A 80 -7.554 -27.439 -4.097 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.781 -29.748 -2.144 1.00 4.30 C ATOM 1234 CG ASP A 80 -10.157 -29.865 -1.504 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -10.743 -28.820 -1.155 1.00 34.04 O ATOM 1236 OD2 ASP A 80 -10.659 -30.997 -1.341 1.00 72.24 O ATOM 0 H ASP A 80 -8.984 -31.483 -3.913 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.710 -28.756 -3.800 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -8.243 -30.687 -2.014 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -8.208 -28.978 -1.627 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.565 -29.432 -4.443 1.00 52.33 N ATOM 1242 CA ILE A 81 -5.310 -28.849 -4.907 1.00 75.11 C ATOM 1243 C ILE A 81 -5.515 -28.086 -6.217 1.00 23.01 C ATOM 1244 O ILE A 81 -4.993 -26.980 -6.383 1.00 54.32 O ATOM 1245 CB ILE A 81 -4.201 -29.925 -5.077 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -3.855 -30.541 -3.710 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -2.949 -29.330 -5.732 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -2.887 -31.701 -3.778 1.00 11.21 C ATOM 0 H ILE A 81 -6.576 -30.452 -4.425 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.978 -28.148 -4.141 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.579 -30.708 -5.734 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.431 -29.766 -3.072 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.775 -30.878 -3.233 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -2.190 -30.106 -5.838 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -3.205 -28.936 -6.715 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.560 -28.525 -5.109 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -2.697 -32.076 -2.772 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.315 -32.497 -4.387 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -1.950 -31.367 -4.224 1.00 11.21 H new ATOM 1260 N GLU A 82 -6.287 -28.662 -7.142 1.00 20.30 N ATOM 1261 CA GLU A 82 -6.556 -27.991 -8.412 1.00 13.24 C ATOM 1262 C GLU A 82 -7.421 -26.758 -8.154 1.00 5.44 C ATOM 1263 O GLU A 82 -7.210 -25.698 -8.753 1.00 1.51 O ATOM 1264 CB GLU A 82 -7.201 -28.956 -9.438 1.00 73.20 C ATOM 1265 CG GLU A 82 -8.723 -29.124 -9.345 1.00 75.31 C ATOM 1266 CD GLU A 82 -9.494 -28.174 -10.259 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -9.241 -28.183 -11.484 1.00 2.33 O ATOM 1268 OE2 GLU A 82 -10.358 -27.417 -9.765 1.00 14.40 O ATOM 0 H GLU A 82 -6.729 -29.575 -7.037 1.00 20.30 H new ATOM 0 HA GLU A 82 -5.614 -27.666 -8.855 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -6.956 -28.605 -10.440 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -6.740 -29.937 -9.322 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -8.984 -30.152 -9.598 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -9.037 -28.960 -8.314 1.00 75.31 H new ATOM 1275 N ARG A 83 -8.351 -26.898 -7.207 1.00 62.13 N ATOM 1276 CA ARG A 83 -9.242 -25.813 -6.810 1.00 64.02 C ATOM 1277 C ARG A 83 -8.440 -24.601 -6.335 1.00 23.45 C ATOM 1278 O ARG A 83 -8.662 -23.477 -6.789 1.00 51.11 O ATOM 1279 CB ARG A 83 -10.180 -26.278 -5.684 1.00 1.04 C ATOM 1280 CG ARG A 83 -11.242 -25.248 -5.307 1.00 32.11 C ATOM 1281 CD ARG A 83 -12.398 -25.231 -6.303 1.00 70.23 C ATOM 1282 NE ARG A 83 -13.308 -26.363 -6.091 1.00 52.13 N ATOM 1283 CZ ARG A 83 -13.736 -27.190 -7.048 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -13.282 -27.078 -8.290 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -14.612 -28.144 -6.753 1.00 32.14 N ATOM 0 H ARG A 83 -8.505 -27.767 -6.696 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.834 -25.527 -7.679 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -10.673 -27.200 -5.991 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -9.585 -26.514 -4.801 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -11.625 -25.469 -4.311 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -10.788 -24.258 -5.261 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -12.950 -24.296 -6.205 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -12.005 -25.264 -7.319 1.00 70.23 H new ATOM 0 HE ARG A 83 -13.638 -26.531 -5.141 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -12.600 -26.355 -8.520 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -13.615 -27.715 -9.014 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -14.956 -28.243 -5.798 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -14.941 -28.777 -7.482 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.503 -24.836 -5.424 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.726 -23.749 -4.843 1.00 41.51 C ATOM 1301 C VAL A 84 -5.748 -23.161 -5.867 1.00 42.42 C ATOM 1302 O VAL A 84 -5.716 -21.948 -6.064 1.00 71.31 O ATOM 1303 CB VAL A 84 -5.972 -24.195 -3.559 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -4.908 -25.254 -3.859 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -5.358 -22.991 -2.845 1.00 65.02 C ATOM 0 H VAL A 84 -7.264 -25.764 -5.074 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.433 -22.971 -4.555 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.704 -24.653 -2.895 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.406 -25.537 -2.934 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -5.382 -26.132 -4.298 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -4.178 -24.848 -4.559 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -4.835 -23.327 -1.949 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.653 -22.493 -3.511 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -6.147 -22.293 -2.565 1.00 65.02 H new ATOM 1315 N ARG A 85 -4.978 -24.017 -6.543 1.00 32.12 N ATOM 1316 CA ARG A 85 -3.978 -23.548 -7.506 1.00 63.21 C ATOM 1317 C ARG A 85 -4.618 -22.707 -8.609 1.00 31.04 C ATOM 1318 O ARG A 85 -4.073 -21.677 -8.994 1.00 74.34 O ATOM 1319 CB ARG A 85 -3.183 -24.720 -8.112 1.00 13.42 C ATOM 1320 CG ARG A 85 -4.008 -25.682 -8.956 1.00 50.13 C ATOM 1321 CD ARG A 85 -3.176 -26.860 -9.460 1.00 12.03 C ATOM 1322 NE ARG A 85 -2.200 -26.460 -10.481 1.00 64.53 N ATOM 1323 CZ ARG A 85 -1.292 -27.282 -11.024 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -1.188 -28.542 -10.610 1.00 14.52 N ATOM 1325 NH2 ARG A 85 -0.495 -26.839 -11.991 1.00 44.23 N ATOM 0 H ARG A 85 -5.027 -25.031 -6.443 1.00 32.12 H new ATOM 0 HA ARG A 85 -3.279 -22.915 -6.959 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -2.380 -24.316 -8.728 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -2.714 -25.279 -7.303 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -4.845 -26.056 -8.366 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -4.431 -25.147 -9.806 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -2.653 -27.317 -8.620 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -3.840 -27.619 -9.873 1.00 12.03 H new ATOM 0 HE ARG A 85 -2.214 -25.491 -10.798 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -1.802 -28.889 -9.874 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -0.494 -29.161 -11.029 1.00 14.52 H new ATOM 0 HH21 ARG A 85 -0.576 -25.876 -12.317 1.00 44.23 H new ATOM 0 HH22 ARG A 85 0.197 -27.462 -12.407 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.783 -23.129 -9.102 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.490 -22.358 -10.132 1.00 61.13 C ATOM 1341 C ARG A 86 -6.989 -21.033 -9.547 1.00 43.24 C ATOM 1342 O ARG A 86 -6.917 -19.988 -10.195 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.660 -23.160 -10.726 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.834 -23.353 -9.771 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.873 -24.320 -10.323 1.00 34.11 C ATOM 1346 NE ARG A 86 -10.473 -23.853 -11.574 1.00 1.42 N ATOM 1347 CZ ARG A 86 -11.119 -24.648 -12.426 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -11.197 -25.956 -12.190 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -11.671 -24.133 -13.519 1.00 54.51 N ATOM 0 H ARG A 86 -6.253 -23.986 -8.812 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.789 -22.147 -10.940 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -8.015 -22.653 -11.623 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -7.294 -24.139 -11.037 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -8.465 -23.726 -8.815 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -9.304 -22.389 -9.577 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -9.407 -25.291 -10.489 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -10.658 -24.466 -9.581 1.00 34.11 H new ATOM 0 HE ARG A 86 -10.392 -22.863 -11.807 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -10.762 -26.351 -11.356 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -11.692 -26.563 -12.843 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -11.599 -23.132 -13.703 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -12.166 -24.738 -14.174 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.469 -21.089 -8.303 1.00 53.04 N ATOM 1364 CA HIS A 87 -7.952 -19.904 -7.591 1.00 5.31 C ATOM 1365 C HIS A 87 -6.815 -18.897 -7.428 1.00 35.45 C ATOM 1366 O HIS A 87 -7.005 -17.694 -7.572 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.511 -20.316 -6.214 1.00 31.33 C ATOM 1368 CG HIS A 87 -9.042 -19.182 -5.377 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -10.386 -18.896 -5.265 1.00 60.25 N ATOM 1370 CD2 HIS A 87 -8.406 -18.287 -4.576 1.00 1.45 C ATOM 1371 CE1 HIS A 87 -10.553 -17.880 -4.439 1.00 50.53 C ATOM 1372 NE2 HIS A 87 -9.370 -17.493 -4.008 1.00 10.01 N ATOM 0 H HIS A 87 -7.534 -21.952 -7.763 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.750 -19.436 -8.167 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.311 -21.041 -6.366 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.723 -20.822 -5.656 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -7.340 -18.214 -4.416 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -11.500 -17.440 -4.163 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -9.198 -16.727 -3.357 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.635 -19.417 -7.122 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.429 -18.613 -6.937 1.00 61.31 C ATOM 1383 C LEU A 88 -3.881 -18.125 -8.281 1.00 10.22 C ATOM 1384 O LEU A 88 -3.374 -17.000 -8.392 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.377 -19.441 -6.181 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.522 -19.470 -4.641 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -2.990 -18.181 -4.020 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -4.974 -19.681 -4.220 1.00 1.22 C ATOM 0 H LEU A 88 -5.483 -20.417 -6.993 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.678 -17.730 -6.349 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.415 -20.466 -6.550 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.390 -19.050 -6.427 1.00 25.40 H new ATOM 0 HG LEU A 88 -2.931 -20.311 -4.278 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -3.103 -18.225 -2.937 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -1.936 -18.065 -4.270 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.551 -17.331 -4.409 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -5.039 -19.696 -3.132 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.587 -18.868 -4.609 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -5.334 -20.630 -4.618 1.00 1.22 H new ATOM 1400 N ALA A 89 -4.009 -18.977 -9.299 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.518 -18.670 -10.641 1.00 61.34 C ATOM 1402 C ALA A 89 -4.212 -17.434 -11.204 1.00 73.12 C ATOM 1403 O ALA A 89 -3.683 -16.764 -12.095 1.00 14.30 O ATOM 1404 CB ALA A 89 -3.718 -19.869 -11.565 1.00 24.15 C ATOM 0 H ALA A 89 -4.452 -19.892 -9.217 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.451 -18.456 -10.576 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.348 -19.626 -12.561 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -3.170 -20.726 -11.173 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -4.779 -20.112 -11.621 1.00 24.15 H new ATOM 1410 N LEU A 90 -5.400 -17.143 -10.676 1.00 4.52 N ATOM 1411 CA LEU A 90 -6.131 -15.932 -11.036 1.00 63.34 C ATOM 1412 C LEU A 90 -5.288 -14.697 -10.731 1.00 72.14 C ATOM 1413 O LEU A 90 -5.162 -13.799 -11.563 1.00 72.44 O ATOM 1414 CB LEU A 90 -7.464 -15.860 -10.276 1.00 43.21 C ATOM 1415 CG LEU A 90 -8.448 -17.010 -10.557 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.724 -16.847 -9.734 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.772 -17.094 -12.049 1.00 12.44 C ATOM 0 H LEU A 90 -5.877 -17.733 -9.995 1.00 4.52 H new ATOM 0 HA LEU A 90 -6.342 -15.962 -12.105 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -7.252 -15.839 -9.207 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -7.953 -14.918 -10.523 1.00 43.21 H new ATOM 0 HG LEU A 90 -7.971 -17.944 -10.260 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -10.404 -17.671 -9.950 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.475 -16.850 -8.673 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -10.205 -15.903 -9.991 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -9.469 -17.914 -12.224 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -9.223 -16.157 -12.377 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -7.855 -17.271 -12.611 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.708 -14.669 -9.534 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.820 -13.578 -9.131 1.00 44.25 C ATOM 1431 C GLN A 91 -2.486 -13.691 -9.861 1.00 0.14 C ATOM 1432 O GLN A 91 -1.894 -12.684 -10.259 1.00 24.43 O ATOM 1433 CB GLN A 91 -3.589 -13.577 -7.609 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.811 -13.167 -6.786 1.00 12.45 C ATOM 1435 CD GLN A 91 -5.960 -14.160 -6.870 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -7.128 -13.781 -6.837 1.00 23.24 O ATOM 1437 NE2 GLN A 91 -5.636 -15.440 -6.947 1.00 3.21 N ATOM 0 H GLN A 91 -4.836 -15.390 -8.824 1.00 52.33 H new ATOM 0 HA GLN A 91 -4.300 -12.637 -9.400 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -3.276 -14.574 -7.300 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.767 -12.899 -7.379 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -4.515 -13.053 -5.743 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -5.158 -12.192 -7.127 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -4.655 -15.717 -6.972 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -6.367 -16.150 -6.981 1.00 3.21 H new ATOM 1446 N GLY A 92 -2.018 -14.922 -10.032 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.781 -15.149 -10.758 1.00 34.23 C ATOM 1448 C GLY A 92 -0.189 -16.511 -10.481 1.00 75.14 C ATOM 1449 O GLY A 92 -0.767 -17.305 -9.736 1.00 41.34 O ATOM 0 H GLY A 92 -2.471 -15.766 -9.682 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -0.967 -15.048 -11.827 1.00 34.23 H new ATOM 0 HA3 GLY A 92 -0.058 -14.380 -10.486 1.00 34.23 H new ATOM 1453 N TRP A 93 0.969 -16.776 -11.075 1.00 61.24 N ATOM 1454 CA TRP A 93 1.657 -18.050 -10.909 1.00 33.44 C ATOM 1455 C TRP A 93 3.160 -17.800 -10.736 1.00 44.25 C ATOM 1456 O TRP A 93 3.927 -17.849 -11.698 1.00 71.23 O ATOM 1457 CB TRP A 93 1.382 -18.963 -12.116 1.00 43.23 C ATOM 1458 CG TRP A 93 1.757 -20.399 -11.887 1.00 30.43 C ATOM 1459 CD1 TRP A 93 2.823 -21.069 -12.414 1.00 31.35 C ATOM 1460 CD2 TRP A 93 1.059 -21.341 -11.066 1.00 22.14 C ATOM 1461 NE1 TRP A 93 2.826 -22.371 -11.978 1.00 14.44 N ATOM 1462 CE2 TRP A 93 1.754 -22.562 -11.145 1.00 25.43 C ATOM 1463 CE3 TRP A 93 -0.088 -21.266 -10.270 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 1.336 -23.702 -10.462 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.501 -22.395 -9.590 1.00 15.35 C ATOM 1466 CH2 TRP A 93 0.209 -23.599 -9.689 1.00 55.20 C ATOM 0 H TRP A 93 1.455 -16.117 -11.683 1.00 61.24 H new ATOM 0 HA TRP A 93 1.283 -18.553 -10.017 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.323 -18.909 -12.367 1.00 43.23 H new ATOM 0 HB3 TRP A 93 1.933 -18.586 -12.978 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.558 -20.638 -13.078 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.514 -23.080 -12.232 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.641 -20.342 -10.188 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 1.880 -24.632 -10.539 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.385 -22.349 -8.972 1.00 15.35 H new ATOM 0 HH2 TRP A 93 -0.139 -24.464 -9.145 1.00 55.20 H new ATOM 1477 N PRO A 94 3.597 -17.513 -9.494 1.00 44.24 N ATOM 1478 CA PRO A 94 4.978 -17.095 -9.208 1.00 44.31 C ATOM 1479 C PRO A 94 5.980 -18.248 -9.254 1.00 13.14 C ATOM 1480 O PRO A 94 7.191 -18.024 -9.285 1.00 65.31 O ATOM 1481 CB PRO A 94 4.871 -16.521 -7.793 1.00 70.01 C ATOM 1482 CG PRO A 94 3.771 -17.300 -7.165 1.00 24.04 C ATOM 1483 CD PRO A 94 2.777 -17.575 -8.266 1.00 52.13 C ATOM 0 HA PRO A 94 5.353 -16.391 -9.951 1.00 44.31 H new ATOM 0 HB2 PRO A 94 5.805 -16.638 -7.244 1.00 70.01 H new ATOM 0 HB3 PRO A 94 4.644 -15.455 -7.812 1.00 70.01 H new ATOM 0 HG2 PRO A 94 4.146 -18.229 -6.737 1.00 24.04 H new ATOM 0 HG3 PRO A 94 3.309 -16.738 -6.353 1.00 24.04 H new ATOM 0 HD2 PRO A 94 2.306 -18.551 -8.147 1.00 52.13 H new ATOM 0 HD3 PRO A 94 1.978 -16.834 -8.279 1.00 52.13 H new ATOM 1491 N LEU A 95 5.471 -19.478 -9.264 1.00 20.13 N ATOM 1492 CA LEU A 95 6.325 -20.667 -9.320 1.00 2.45 C ATOM 1493 C LEU A 95 6.943 -20.831 -10.708 1.00 23.05 C ATOM 1494 O LEU A 95 7.767 -21.725 -10.930 1.00 42.11 O ATOM 1495 CB LEU A 95 5.534 -21.931 -8.924 1.00 12.24 C ATOM 1496 CG LEU A 95 5.521 -22.265 -7.419 1.00 45.14 C ATOM 1497 CD1 LEU A 95 5.012 -21.091 -6.586 1.00 71.12 C ATOM 1498 CD2 LEU A 95 4.680 -23.514 -7.154 1.00 44.11 C ATOM 0 H LEU A 95 4.472 -19.680 -9.234 1.00 20.13 H new ATOM 0 HA LEU A 95 7.134 -20.532 -8.602 1.00 2.45 H new ATOM 0 HB2 LEU A 95 4.504 -21.813 -9.261 1.00 12.24 H new ATOM 0 HB3 LEU A 95 5.950 -22.782 -9.463 1.00 12.24 H new ATOM 0 HG LEU A 95 6.549 -22.463 -7.117 1.00 45.14 H new ATOM 0 HD11 LEU A 95 5.017 -21.364 -5.531 1.00 71.12 H new ATOM 0 HD12 LEU A 95 5.659 -20.228 -6.741 1.00 71.12 H new ATOM 0 HD13 LEU A 95 3.996 -20.842 -6.891 1.00 71.12 H new ATOM 0 HD21 LEU A 95 4.682 -23.734 -6.087 1.00 44.11 H new ATOM 0 HD22 LEU A 95 3.657 -23.341 -7.486 1.00 44.11 H new ATOM 0 HD23 LEU A 95 5.101 -24.358 -7.700 1.00 44.11 H new