USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 564 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 75 TYR OH : rot 36:sc= -0.297 USER MOD Set 1.2: A 78 SER OG : rot -85:sc= 0.174 USER MOD Set 1.3: A 79 HIS : no HD1:sc= -1.27 K(o=-1.4,f=-2.7) USER MOD Single : A 5 SER OG : rot 29:sc= 0.00984 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.0782 F(o=-1.6,f=-0.078) USER MOD Single : A 12 LYS NZ :NH3+ 136:sc= -0.122 (180deg=-4!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.54 K(o=-1.5,f=-4.8!) USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= -0.414 (180deg=-2.06) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 31 SER OG : rot 157:sc= -0.181! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -45:sc= 0.47 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.695 USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.131) USER MOD Single : A 67 THR OG1 : rot -43:sc= 1.08 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0823 USER MOD Single : A 70 GLN : amide:sc= -2 K(o=-2,f=-2.6) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 80 GLN : amide:sc=-0.00513 X(o=-0.0051,f=0) USER MOD ----------------------------------------------------------------- ATOM 60 N SER A 5 8.563 6.552 -6.180 1.00 63.21 N ATOM 61 CA SER A 5 9.672 7.474 -5.964 1.00 53.40 C ATOM 62 C SER A 5 10.666 6.903 -4.958 1.00 21.30 C ATOM 63 O SER A 5 11.770 7.422 -4.797 1.00 32.55 O ATOM 64 CB SER A 5 9.150 8.825 -5.471 1.00 52.41 C ATOM 65 OG SER A 5 8.387 9.474 -6.474 1.00 2.10 O ATOM 0 HA SER A 5 10.185 7.615 -6.915 1.00 53.40 H new ATOM 0 HB2 SER A 5 8.538 8.679 -4.581 1.00 52.41 H new ATOM 0 HB3 SER A 5 9.988 9.458 -5.181 1.00 52.41 H new ATOM 0 HG SER A 5 7.971 8.803 -7.054 1.00 2.10 H new ATOM 71 N ASN A 6 10.265 5.830 -4.284 1.00 23.23 N ATOM 72 CA ASN A 6 11.120 5.187 -3.292 1.00 61.23 C ATOM 73 C ASN A 6 11.946 4.072 -3.927 1.00 74.30 C ATOM 74 O ASN A 6 13.169 4.038 -3.792 1.00 61.03 O ATOM 75 CB ASN A 6 10.275 4.623 -2.148 1.00 72.14 C ATOM 76 CG ASN A 6 11.121 4.157 -0.979 1.00 51.33 C ATOM 77 OD1 ASN A 6 11.772 3.011 -1.140 1.00 34.15 O flip ATOM 78 ND2 ASN A 6 11.189 4.821 0.055 1.00 33.14 N flip ATOM 0 H ASN A 6 9.354 5.388 -4.406 1.00 23.23 H new ATOM 0 HA ASN A 6 11.802 5.939 -2.894 1.00 61.23 H new ATOM 0 HB2 ASN A 6 9.576 5.386 -1.806 1.00 72.14 H new ATOM 0 HB3 ASN A 6 9.679 3.788 -2.517 1.00 72.14 H new ATOM 0 HD21 ASN A 6 10.671 5.696 0.134 1.00 33.14 H new ATOM 0 HD22 ASN A 6 11.763 4.496 0.833 1.00 33.14 H new ATOM 85 N ILE A 7 11.268 3.162 -4.619 1.00 40.10 N ATOM 86 CA ILE A 7 11.939 2.047 -5.276 1.00 13.01 C ATOM 87 C ILE A 7 12.988 2.542 -6.266 1.00 13.44 C ATOM 88 O ILE A 7 14.034 1.919 -6.439 1.00 60.35 O ATOM 89 CB ILE A 7 10.935 1.144 -6.018 1.00 3.44 C ATOM 90 CG1 ILE A 7 10.019 0.435 -5.018 1.00 62.45 C ATOM 91 CG2 ILE A 7 11.672 0.131 -6.881 1.00 51.42 C ATOM 92 CD1 ILE A 7 8.701 -0.006 -5.615 1.00 72.10 C ATOM 0 H ILE A 7 10.255 3.175 -4.739 1.00 40.10 H new ATOM 0 HA ILE A 7 12.427 1.467 -4.493 1.00 13.01 H new ATOM 0 HB ILE A 7 10.320 1.766 -6.668 1.00 3.44 H new ATOM 0 HG12 ILE A 7 10.537 -0.436 -4.617 1.00 62.45 H new ATOM 0 HG13 ILE A 7 9.824 1.103 -4.179 1.00 62.45 H new ATOM 0 HG21 ILE A 7 10.950 -0.500 -7.399 1.00 51.42 H new ATOM 0 HG22 ILE A 7 12.286 0.655 -7.613 1.00 51.42 H new ATOM 0 HG23 ILE A 7 12.309 -0.489 -6.250 1.00 51.42 H new ATOM 0 HD11 ILE A 7 8.103 -0.501 -4.850 1.00 72.10 H new ATOM 0 HD12 ILE A 7 8.162 0.864 -5.991 1.00 72.10 H new ATOM 0 HD13 ILE A 7 8.887 -0.699 -6.435 1.00 72.10 H new ATOM 104 N GLU A 8 12.700 3.669 -6.910 1.00 71.12 N ATOM 105 CA GLU A 8 13.620 4.248 -7.882 1.00 53.50 C ATOM 106 C GLU A 8 14.952 4.603 -7.227 1.00 35.44 C ATOM 107 O GLU A 8 16.008 4.140 -7.655 1.00 71.34 O ATOM 108 CB GLU A 8 13.004 5.496 -8.519 1.00 4.32 C ATOM 109 CG GLU A 8 13.642 5.882 -9.843 1.00 25.22 C ATOM 110 CD GLU A 8 13.087 7.177 -10.403 1.00 21.20 C ATOM 111 OE1 GLU A 8 12.576 7.996 -9.611 1.00 25.22 O ATOM 112 OE2 GLU A 8 13.164 7.371 -11.634 1.00 73.24 O ATOM 0 H GLU A 8 11.838 4.198 -6.776 1.00 71.12 H new ATOM 0 HA GLU A 8 13.803 3.505 -8.658 1.00 53.50 H new ATOM 0 HB2 GLU A 8 11.939 5.326 -8.675 1.00 4.32 H new ATOM 0 HB3 GLU A 8 13.095 6.331 -7.824 1.00 4.32 H new ATOM 0 HG2 GLU A 8 14.719 5.981 -9.708 1.00 25.22 H new ATOM 0 HG3 GLU A 8 13.484 5.081 -10.565 1.00 25.22 H new ATOM 119 N GLU A 9 14.891 5.427 -6.185 1.00 44.05 N ATOM 120 CA GLU A 9 16.093 5.844 -5.472 1.00 13.40 C ATOM 121 C GLU A 9 16.764 4.654 -4.793 1.00 73.44 C ATOM 122 O GLU A 9 17.990 4.586 -4.705 1.00 12.11 O ATOM 123 CB GLU A 9 15.749 6.912 -4.431 1.00 24.11 C ATOM 124 CG GLU A 9 16.907 7.258 -3.509 1.00 71.42 C ATOM 125 CD GLU A 9 16.623 8.471 -2.646 1.00 13.41 C ATOM 126 OE1 GLU A 9 15.976 8.309 -1.590 1.00 1.23 O ATOM 127 OE2 GLU A 9 17.046 9.583 -3.026 1.00 62.21 O ATOM 0 H GLU A 9 14.024 5.818 -5.817 1.00 44.05 H new ATOM 0 HA GLU A 9 16.788 6.264 -6.199 1.00 13.40 H new ATOM 0 HB2 GLU A 9 15.422 7.816 -4.945 1.00 24.11 H new ATOM 0 HB3 GLU A 9 14.908 6.565 -3.830 1.00 24.11 H new ATOM 0 HG2 GLU A 9 17.124 6.404 -2.868 1.00 71.42 H new ATOM 0 HG3 GLU A 9 17.800 7.443 -4.107 1.00 71.42 H new ATOM 134 N ARG A 10 15.951 3.717 -4.315 1.00 52.15 N ATOM 135 CA ARG A 10 16.465 2.530 -3.643 1.00 73.12 C ATOM 136 C ARG A 10 17.217 1.633 -4.622 1.00 40.54 C ATOM 137 O ARG A 10 18.422 1.422 -4.486 1.00 61.35 O ATOM 138 CB ARG A 10 15.320 1.748 -2.996 1.00 51.51 C ATOM 139 CG ARG A 10 15.302 1.839 -1.479 1.00 12.11 C ATOM 140 CD ARG A 10 14.225 0.947 -0.880 1.00 42.34 C ATOM 141 NE ARG A 10 14.756 -0.348 -0.464 1.00 43.12 N ATOM 142 CZ ARG A 10 14.154 -1.141 0.414 1.00 35.42 C ATOM 143 NH1 ARG A 10 13.005 -0.774 0.966 1.00 42.13 N ATOM 144 NH2 ARG A 10 14.699 -2.306 0.742 1.00 3.42 N ATOM 0 H ARG A 10 14.934 3.757 -4.381 1.00 52.15 H new ATOM 0 HA ARG A 10 17.159 2.855 -2.868 1.00 73.12 H new ATOM 0 HB2 ARG A 10 14.372 2.119 -3.385 1.00 51.51 H new ATOM 0 HB3 ARG A 10 15.396 0.701 -3.288 1.00 51.51 H new ATOM 0 HG2 ARG A 10 16.276 1.550 -1.084 1.00 12.11 H new ATOM 0 HG3 ARG A 10 15.130 2.872 -1.177 1.00 12.11 H new ATOM 0 HD2 ARG A 10 13.776 1.447 -0.022 1.00 42.34 H new ATOM 0 HD3 ARG A 10 13.432 0.795 -1.612 1.00 42.34 H new ATOM 0 HE ARG A 10 15.638 -0.660 -0.870 1.00 43.12 H new ATOM 0 HH11 ARG A 10 12.582 0.120 0.716 1.00 42.13 H new ATOM 0 HH12 ARG A 10 12.545 -1.386 1.640 1.00 42.13 H new ATOM 0 HH21 ARG A 10 15.582 -2.593 0.319 1.00 3.42 H new ATOM 0 HH22 ARG A 10 14.235 -2.914 1.417 1.00 3.42 H new ATOM 158 N VAL A 11 16.497 1.109 -5.609 1.00 64.22 N ATOM 159 CA VAL A 11 17.096 0.236 -6.612 1.00 24.34 C ATOM 160 C VAL A 11 18.343 0.870 -7.218 1.00 61.32 C ATOM 161 O VAL A 11 19.432 0.297 -7.167 1.00 50.42 O ATOM 162 CB VAL A 11 16.099 -0.091 -7.739 1.00 43.13 C ATOM 163 CG1 VAL A 11 16.755 -0.969 -8.794 1.00 71.11 C ATOM 164 CG2 VAL A 11 14.856 -0.761 -7.173 1.00 43.24 C ATOM 0 H VAL A 11 15.498 1.274 -5.736 1.00 64.22 H new ATOM 0 HA VAL A 11 17.373 -0.688 -6.103 1.00 24.34 H new ATOM 0 HB VAL A 11 15.796 0.842 -8.214 1.00 43.13 H new ATOM 0 HG11 VAL A 11 16.035 -1.190 -9.582 1.00 71.11 H new ATOM 0 HG12 VAL A 11 17.612 -0.447 -9.220 1.00 71.11 H new ATOM 0 HG13 VAL A 11 17.089 -1.900 -8.336 1.00 71.11 H new ATOM 0 HG21 VAL A 11 14.162 -0.985 -7.983 1.00 43.24 H new ATOM 0 HG22 VAL A 11 15.138 -1.686 -6.671 1.00 43.24 H new ATOM 0 HG23 VAL A 11 14.376 -0.092 -6.459 1.00 43.24 H new ATOM 174 N LYS A 12 18.177 2.056 -7.792 1.00 51.34 N ATOM 175 CA LYS A 12 19.289 2.771 -8.408 1.00 55.23 C ATOM 176 C LYS A 12 20.470 2.871 -7.448 1.00 54.52 C ATOM 177 O LYS A 12 21.606 2.570 -7.812 1.00 64.31 O ATOM 178 CB LYS A 12 18.846 4.172 -8.837 1.00 71.12 C ATOM 179 CG LYS A 12 17.846 4.170 -9.981 1.00 2.43 C ATOM 180 CD LYS A 12 18.405 3.473 -11.209 1.00 63.42 C ATOM 181 CE LYS A 12 17.692 3.918 -12.476 1.00 53.24 C ATOM 182 NZ LYS A 12 18.191 5.235 -12.960 1.00 60.04 N ATOM 0 H LYS A 12 17.282 2.543 -7.844 1.00 51.34 H new ATOM 0 HA LYS A 12 19.606 2.211 -9.288 1.00 55.23 H new ATOM 0 HB2 LYS A 12 18.405 4.683 -7.981 1.00 71.12 H new ATOM 0 HB3 LYS A 12 19.724 4.747 -9.134 1.00 71.12 H new ATOM 0 HG2 LYS A 12 16.930 3.671 -9.664 1.00 2.43 H new ATOM 0 HG3 LYS A 12 17.579 5.196 -10.234 1.00 2.43 H new ATOM 0 HD2 LYS A 12 19.470 3.686 -11.296 1.00 63.42 H new ATOM 0 HD3 LYS A 12 18.304 2.394 -11.094 1.00 63.42 H new ATOM 0 HE2 LYS A 12 17.833 3.168 -13.254 1.00 53.24 H new ATOM 0 HE3 LYS A 12 16.621 3.983 -12.286 1.00 53.24 H new ATOM 0 HZ1 LYS A 12 18.327 5.197 -13.990 1.00 60.04 H new ATOM 0 HZ2 LYS A 12 17.498 5.975 -12.729 1.00 60.04 H new ATOM 0 HZ3 LYS A 12 19.097 5.454 -12.499 1.00 60.04 H new ATOM 196 N LYS A 13 20.193 3.296 -6.220 1.00 22.22 N ATOM 197 CA LYS A 13 21.232 3.433 -5.206 1.00 13.44 C ATOM 198 C LYS A 13 22.090 2.175 -5.132 1.00 23.22 C ATOM 199 O LYS A 13 23.308 2.232 -5.304 1.00 41.23 O ATOM 200 CB LYS A 13 20.604 3.716 -3.839 1.00 2.32 C ATOM 201 CG LYS A 13 21.607 3.717 -2.698 1.00 14.33 C ATOM 202 CD LYS A 13 20.990 4.248 -1.414 1.00 62.03 C ATOM 203 CE LYS A 13 20.772 5.752 -1.481 1.00 24.22 C ATOM 204 NZ LYS A 13 20.681 6.360 -0.124 1.00 72.44 N ATOM 0 H LYS A 13 19.258 3.552 -5.903 1.00 22.22 H new ATOM 0 HA LYS A 13 21.871 4.270 -5.487 1.00 13.44 H new ATOM 0 HB2 LYS A 13 20.103 4.683 -3.872 1.00 2.32 H new ATOM 0 HB3 LYS A 13 19.838 2.967 -3.638 1.00 2.32 H new ATOM 0 HG2 LYS A 13 21.975 2.704 -2.534 1.00 14.33 H new ATOM 0 HG3 LYS A 13 22.468 4.328 -2.969 1.00 14.33 H new ATOM 0 HD2 LYS A 13 20.038 3.749 -1.233 1.00 62.03 H new ATOM 0 HD3 LYS A 13 21.640 4.011 -0.572 1.00 62.03 H new ATOM 0 HE2 LYS A 13 21.592 6.214 -2.032 1.00 24.22 H new ATOM 0 HE3 LYS A 13 19.857 5.962 -2.035 1.00 24.22 H new ATOM 0 HZ1 LYS A 13 20.532 7.386 -0.212 1.00 72.44 H new ATOM 0 HZ2 LYS A 13 19.883 5.938 0.393 1.00 72.44 H new ATOM 0 HZ3 LYS A 13 21.564 6.182 0.396 1.00 72.44 H new ATOM 218 N ILE A 14 21.448 1.040 -4.876 1.00 50.11 N ATOM 219 CA ILE A 14 22.153 -0.232 -4.783 1.00 23.05 C ATOM 220 C ILE A 14 23.051 -0.454 -5.995 1.00 54.45 C ATOM 221 O ILE A 14 24.261 -0.635 -5.860 1.00 10.32 O ATOM 222 CB ILE A 14 21.172 -1.413 -4.662 1.00 14.52 C ATOM 223 CG1 ILE A 14 20.352 -1.293 -3.375 1.00 53.15 C ATOM 224 CG2 ILE A 14 21.925 -2.734 -4.695 1.00 3.30 C ATOM 225 CD1 ILE A 14 18.857 -1.290 -3.609 1.00 63.45 C ATOM 0 H ILE A 14 20.441 0.976 -4.729 1.00 50.11 H new ATOM 0 HA ILE A 14 22.766 -0.186 -3.883 1.00 23.05 H new ATOM 0 HB ILE A 14 20.488 -1.386 -5.511 1.00 14.52 H new ATOM 0 HG12 ILE A 14 20.606 -2.121 -2.713 1.00 53.15 H new ATOM 0 HG13 ILE A 14 20.633 -0.375 -2.859 1.00 53.15 H new ATOM 0 HG21 ILE A 14 21.217 -3.558 -4.608 1.00 3.30 H new ATOM 0 HG22 ILE A 14 22.469 -2.820 -5.636 1.00 3.30 H new ATOM 0 HG23 ILE A 14 22.630 -2.772 -3.864 1.00 3.30 H new ATOM 0 HD11 ILE A 14 18.339 -1.202 -2.654 1.00 63.45 H new ATOM 0 HD12 ILE A 14 18.590 -0.446 -4.245 1.00 63.45 H new ATOM 0 HD13 ILE A 14 18.563 -2.219 -4.097 1.00 63.45 H new ATOM 237 N ILE A 15 22.449 -0.436 -7.180 1.00 64.22 N ATOM 238 CA ILE A 15 23.195 -0.632 -8.417 1.00 73.25 C ATOM 239 C ILE A 15 24.360 0.346 -8.518 1.00 61.00 C ATOM 240 O ILE A 15 25.386 0.045 -9.128 1.00 43.30 O ATOM 241 CB ILE A 15 22.290 -0.464 -9.652 1.00 51.14 C ATOM 242 CG1 ILE A 15 21.238 -1.574 -9.696 1.00 71.10 C ATOM 243 CG2 ILE A 15 23.124 -0.467 -10.925 1.00 22.14 C ATOM 244 CD1 ILE A 15 19.816 -1.059 -9.698 1.00 74.03 C ATOM 0 H ILE A 15 21.448 -0.288 -7.309 1.00 64.22 H new ATOM 0 HA ILE A 15 23.581 -1.651 -8.395 1.00 73.25 H new ATOM 0 HB ILE A 15 21.777 0.495 -9.579 1.00 51.14 H new ATOM 0 HG12 ILE A 15 21.398 -2.180 -10.588 1.00 71.10 H new ATOM 0 HG13 ILE A 15 21.377 -2.230 -8.836 1.00 71.10 H new ATOM 0 HG21 ILE A 15 22.470 -0.347 -11.789 1.00 22.14 H new ATOM 0 HG22 ILE A 15 23.838 0.356 -10.894 1.00 22.14 H new ATOM 0 HG23 ILE A 15 23.662 -1.412 -11.005 1.00 22.14 H new ATOM 0 HD11 ILE A 15 19.124 -1.901 -9.730 1.00 74.03 H new ATOM 0 HD12 ILE A 15 19.638 -0.478 -8.793 1.00 74.03 H new ATOM 0 HD13 ILE A 15 19.659 -0.427 -10.572 1.00 74.03 H new ATOM 256 N VAL A 16 24.196 1.518 -7.913 1.00 55.45 N ATOM 257 CA VAL A 16 25.235 2.541 -7.932 1.00 31.30 C ATOM 258 C VAL A 16 26.311 2.250 -6.892 1.00 35.35 C ATOM 259 O VAL A 16 27.463 2.651 -7.048 1.00 22.02 O ATOM 260 CB VAL A 16 24.649 3.941 -7.671 1.00 43.21 C ATOM 261 CG1 VAL A 16 25.762 4.971 -7.546 1.00 22.41 C ATOM 262 CG2 VAL A 16 23.678 4.326 -8.776 1.00 54.24 C ATOM 0 H VAL A 16 23.353 1.783 -7.403 1.00 55.45 H new ATOM 0 HA VAL A 16 25.680 2.522 -8.927 1.00 31.30 H new ATOM 0 HB VAL A 16 24.101 3.917 -6.729 1.00 43.21 H new ATOM 0 HG11 VAL A 16 25.329 5.954 -7.362 1.00 22.41 H new ATOM 0 HG12 VAL A 16 26.416 4.701 -6.717 1.00 22.41 H new ATOM 0 HG13 VAL A 16 26.340 4.996 -8.470 1.00 22.41 H new ATOM 0 HG21 VAL A 16 23.273 5.318 -8.575 1.00 54.24 H new ATOM 0 HG22 VAL A 16 24.200 4.334 -9.733 1.00 54.24 H new ATOM 0 HG23 VAL A 16 22.863 3.603 -8.813 1.00 54.24 H new ATOM 272 N GLU A 17 25.925 1.549 -5.830 1.00 30.42 N ATOM 273 CA GLU A 17 26.857 1.204 -4.763 1.00 45.20 C ATOM 274 C GLU A 17 27.505 -0.153 -5.024 1.00 1.24 C ATOM 275 O GLU A 17 28.448 -0.543 -4.336 1.00 61.41 O ATOM 276 CB GLU A 17 26.138 1.188 -3.413 1.00 24.55 C ATOM 277 CG GLU A 17 26.006 2.561 -2.776 1.00 41.04 C ATOM 278 CD GLU A 17 25.527 2.495 -1.339 1.00 62.42 C ATOM 279 OE1 GLU A 17 25.263 1.375 -0.854 1.00 24.54 O ATOM 280 OE2 GLU A 17 25.416 3.562 -0.700 1.00 71.43 O ATOM 0 H GLU A 17 24.974 1.209 -5.686 1.00 30.42 H new ATOM 0 HA GLU A 17 27.640 1.962 -4.740 1.00 45.20 H new ATOM 0 HB2 GLU A 17 25.144 0.762 -3.546 1.00 24.55 H new ATOM 0 HB3 GLU A 17 26.678 0.531 -2.731 1.00 24.55 H new ATOM 0 HG2 GLU A 17 26.971 3.067 -2.810 1.00 41.04 H new ATOM 0 HG3 GLU A 17 25.309 3.163 -3.360 1.00 41.04 H new ATOM 287 N GLN A 18 26.991 -0.866 -6.021 1.00 11.45 N ATOM 288 CA GLN A 18 27.518 -2.179 -6.371 1.00 61.10 C ATOM 289 C GLN A 18 28.362 -2.106 -7.639 1.00 72.34 C ATOM 290 O GLN A 18 29.557 -2.404 -7.621 1.00 0.24 O ATOM 291 CB GLN A 18 26.374 -3.177 -6.562 1.00 3.24 C ATOM 292 CG GLN A 18 25.539 -3.391 -5.310 1.00 13.21 C ATOM 293 CD GLN A 18 26.255 -4.223 -4.265 1.00 5.00 C ATOM 294 OE1 GLN A 18 27.428 -3.993 -3.969 1.00 3.33 O ATOM 295 NE2 GLN A 18 25.552 -5.197 -3.700 1.00 25.35 N ATOM 0 H GLN A 18 26.211 -0.556 -6.600 1.00 11.45 H new ATOM 0 HA GLN A 18 28.153 -2.518 -5.553 1.00 61.10 H new ATOM 0 HB2 GLN A 18 25.726 -2.825 -7.365 1.00 3.24 H new ATOM 0 HB3 GLN A 18 26.787 -4.134 -6.881 1.00 3.24 H new ATOM 0 HG2 GLN A 18 25.279 -2.423 -4.882 1.00 13.21 H new ATOM 0 HG3 GLN A 18 24.604 -3.882 -5.581 1.00 13.21 H new ATOM 0 HE21 GLN A 18 24.582 -5.352 -3.976 1.00 25.35 H new ATOM 0 HE22 GLN A 18 25.982 -5.790 -2.990 1.00 25.35 H new ATOM 304 N LEU A 19 27.733 -1.710 -8.740 1.00 50.42 N ATOM 305 CA LEU A 19 28.426 -1.598 -10.019 1.00 51.21 C ATOM 306 C LEU A 19 29.358 -0.390 -10.030 1.00 33.21 C ATOM 307 O LEU A 19 30.509 -0.485 -10.452 1.00 61.44 O ATOM 308 CB LEU A 19 27.415 -1.486 -11.161 1.00 73.44 C ATOM 309 CG LEU A 19 27.144 -2.771 -11.946 1.00 12.33 C ATOM 310 CD1 LEU A 19 26.509 -3.821 -11.047 1.00 41.14 C ATOM 311 CD2 LEU A 19 26.254 -2.485 -13.146 1.00 54.23 C ATOM 0 H LEU A 19 26.744 -1.461 -8.773 1.00 50.42 H new ATOM 0 HA LEU A 19 29.025 -2.498 -10.159 1.00 51.21 H new ATOM 0 HB2 LEU A 19 26.471 -1.129 -10.750 1.00 73.44 H new ATOM 0 HB3 LEU A 19 27.767 -0.725 -11.858 1.00 73.44 H new ATOM 0 HG LEU A 19 28.095 -3.160 -12.309 1.00 12.33 H new ATOM 0 HD11 LEU A 19 26.323 -4.728 -11.622 1.00 41.14 H new ATOM 0 HD12 LEU A 19 27.182 -4.047 -10.220 1.00 41.14 H new ATOM 0 HD13 LEU A 19 25.566 -3.441 -10.654 1.00 41.14 H new ATOM 0 HD21 LEU A 19 26.072 -3.410 -13.693 1.00 54.23 H new ATOM 0 HD22 LEU A 19 25.305 -2.072 -12.805 1.00 54.23 H new ATOM 0 HD23 LEU A 19 26.747 -1.767 -13.802 1.00 54.23 H new ATOM 323 N GLY A 20 28.851 0.746 -9.560 1.00 24.13 N ATOM 324 CA GLY A 20 29.652 1.956 -9.522 1.00 63.52 C ATOM 325 C GLY A 20 29.077 3.059 -10.388 1.00 63.44 C ATOM 326 O GLY A 20 29.216 4.241 -10.074 1.00 61.22 O ATOM 0 H GLY A 20 27.900 0.850 -9.205 1.00 24.13 H new ATOM 0 HA2 GLY A 20 29.725 2.307 -8.493 1.00 63.52 H new ATOM 0 HA3 GLY A 20 30.665 1.728 -9.854 1.00 63.52 H new ATOM 330 N VAL A 21 28.431 2.673 -11.484 1.00 34.42 N ATOM 331 CA VAL A 21 27.833 3.638 -12.399 1.00 31.32 C ATOM 332 C VAL A 21 26.939 4.622 -11.653 1.00 3.04 C ATOM 333 O VAL A 21 26.521 4.364 -10.524 1.00 22.03 O ATOM 334 CB VAL A 21 27.005 2.936 -13.492 1.00 12.41 C ATOM 335 CG1 VAL A 21 27.887 2.017 -14.323 1.00 11.21 C ATOM 336 CG2 VAL A 21 25.850 2.164 -12.872 1.00 24.12 C ATOM 0 H VAL A 21 28.308 1.699 -11.760 1.00 34.42 H new ATOM 0 HA VAL A 21 28.654 4.181 -12.867 1.00 31.32 H new ATOM 0 HB VAL A 21 26.590 3.696 -14.153 1.00 12.41 H new ATOM 0 HG11 VAL A 21 27.285 1.530 -15.090 1.00 11.21 H new ATOM 0 HG12 VAL A 21 28.676 2.601 -14.798 1.00 11.21 H new ATOM 0 HG13 VAL A 21 28.334 1.261 -13.678 1.00 11.21 H new ATOM 0 HG21 VAL A 21 25.276 1.674 -13.659 1.00 24.12 H new ATOM 0 HG22 VAL A 21 26.241 1.412 -12.187 1.00 24.12 H new ATOM 0 HG23 VAL A 21 25.204 2.852 -12.326 1.00 24.12 H new ATOM 346 N ASP A 22 26.650 5.751 -12.291 1.00 31.43 N ATOM 347 CA ASP A 22 25.804 6.774 -11.688 1.00 51.33 C ATOM 348 C ASP A 22 24.328 6.455 -11.904 1.00 12.24 C ATOM 349 O ASP A 22 23.948 5.895 -12.931 1.00 62.40 O ATOM 350 CB ASP A 22 26.132 8.148 -12.275 1.00 65.01 C ATOM 351 CG ASP A 22 25.828 9.277 -11.311 1.00 11.43 C ATOM 352 OD1 ASP A 22 24.646 9.439 -10.940 1.00 22.35 O ATOM 353 OD2 ASP A 22 26.771 9.999 -10.926 1.00 42.55 O ATOM 0 H ASP A 22 26.989 5.981 -13.225 1.00 31.43 H new ATOM 0 HA ASP A 22 26.001 6.788 -10.616 1.00 51.33 H new ATOM 0 HB2 ASP A 22 27.187 8.181 -12.547 1.00 65.01 H new ATOM 0 HB3 ASP A 22 25.561 8.294 -13.192 1.00 65.01 H new ATOM 358 N GLU A 23 23.501 6.816 -10.927 1.00 30.40 N ATOM 359 CA GLU A 23 22.067 6.565 -11.010 1.00 12.41 C ATOM 360 C GLU A 23 21.450 7.319 -12.185 1.00 62.41 C ATOM 361 O GLU A 23 20.346 7.003 -12.628 1.00 22.12 O ATOM 362 CB GLU A 23 21.378 6.979 -9.707 1.00 63.34 C ATOM 363 CG GLU A 23 21.269 8.483 -9.528 1.00 2.55 C ATOM 364 CD GLU A 23 21.094 8.886 -8.076 1.00 54.32 C ATOM 365 OE1 GLU A 23 20.072 8.497 -7.473 1.00 12.13 O ATOM 366 OE2 GLU A 23 21.977 9.590 -7.544 1.00 50.43 O ATOM 0 H GLU A 23 23.799 7.282 -10.070 1.00 30.40 H new ATOM 0 HA GLU A 23 21.920 5.497 -11.168 1.00 12.41 H new ATOM 0 HB2 GLU A 23 20.378 6.545 -9.681 1.00 63.34 H new ATOM 0 HB3 GLU A 23 21.930 6.560 -8.865 1.00 63.34 H new ATOM 0 HG2 GLU A 23 22.164 8.959 -9.928 1.00 2.55 H new ATOM 0 HG3 GLU A 23 20.424 8.854 -10.109 1.00 2.55 H new ATOM 373 N ALA A 24 22.172 8.316 -12.685 1.00 11.41 N ATOM 374 CA ALA A 24 21.697 9.114 -13.809 1.00 25.00 C ATOM 375 C ALA A 24 22.101 8.484 -15.138 1.00 10.31 C ATOM 376 O ALA A 24 21.248 8.130 -15.951 1.00 21.21 O ATOM 377 CB ALA A 24 22.233 10.535 -13.712 1.00 23.45 C ATOM 0 H ALA A 24 23.088 8.591 -12.330 1.00 11.41 H new ATOM 0 HA ALA A 24 20.608 9.145 -13.767 1.00 25.00 H new ATOM 0 HB1 ALA A 24 21.870 11.119 -14.558 1.00 23.45 H new ATOM 0 HB2 ALA A 24 21.891 10.990 -12.783 1.00 23.45 H new ATOM 0 HB3 ALA A 24 23.323 10.515 -13.726 1.00 23.45 H new ATOM 383 N GLU A 25 23.406 8.349 -15.352 1.00 1.35 N ATOM 384 CA GLU A 25 23.921 7.764 -16.584 1.00 23.45 C ATOM 385 C GLU A 25 23.263 6.416 -16.862 1.00 34.50 C ATOM 386 O GLU A 25 22.956 6.087 -18.008 1.00 32.30 O ATOM 387 CB GLU A 25 25.440 7.594 -16.498 1.00 35.32 C ATOM 388 CG GLU A 25 26.191 8.906 -16.346 1.00 62.55 C ATOM 389 CD GLU A 25 27.690 8.740 -16.503 1.00 4.22 C ATOM 390 OE1 GLU A 25 28.118 7.723 -17.087 1.00 20.23 O ATOM 391 OE2 GLU A 25 28.436 9.629 -16.041 1.00 11.41 O ATOM 0 H GLU A 25 24.125 8.637 -14.688 1.00 1.35 H new ATOM 0 HA GLU A 25 23.684 8.441 -17.405 1.00 23.45 H new ATOM 0 HB2 GLU A 25 25.678 6.949 -15.652 1.00 35.32 H new ATOM 0 HB3 GLU A 25 25.792 7.085 -17.396 1.00 35.32 H new ATOM 0 HG2 GLU A 25 25.828 9.617 -17.088 1.00 62.55 H new ATOM 0 HG3 GLU A 25 25.977 9.332 -15.366 1.00 62.55 H new ATOM 398 N VAL A 26 23.049 5.638 -15.805 1.00 14.51 N ATOM 399 CA VAL A 26 22.426 4.326 -15.934 1.00 42.30 C ATOM 400 C VAL A 26 21.117 4.413 -16.711 1.00 65.02 C ATOM 401 O VAL A 26 20.432 5.435 -16.682 1.00 75.03 O ATOM 402 CB VAL A 26 22.151 3.697 -14.555 1.00 41.42 C ATOM 403 CG1 VAL A 26 21.061 4.467 -13.825 1.00 2.20 C ATOM 404 CG2 VAL A 26 21.771 2.232 -14.705 1.00 24.03 C ATOM 0 H VAL A 26 23.298 5.894 -14.850 1.00 14.51 H new ATOM 0 HA VAL A 26 23.128 3.695 -16.479 1.00 42.30 H new ATOM 0 HB VAL A 26 23.063 3.753 -13.960 1.00 41.42 H new ATOM 0 HG11 VAL A 26 20.880 4.008 -12.853 1.00 2.20 H new ATOM 0 HG12 VAL A 26 21.377 5.501 -13.685 1.00 2.20 H new ATOM 0 HG13 VAL A 26 20.144 4.444 -14.413 1.00 2.20 H new ATOM 0 HG21 VAL A 26 21.580 1.803 -13.721 1.00 24.03 H new ATOM 0 HG22 VAL A 26 20.873 2.150 -15.317 1.00 24.03 H new ATOM 0 HG23 VAL A 26 22.587 1.692 -15.184 1.00 24.03 H new ATOM 414 N LYS A 27 20.776 3.333 -17.406 1.00 12.11 N ATOM 415 CA LYS A 27 19.548 3.285 -18.191 1.00 31.53 C ATOM 416 C LYS A 27 18.603 2.213 -17.657 1.00 31.24 C ATOM 417 O LYS A 27 19.025 1.101 -17.343 1.00 71.42 O ATOM 418 CB LYS A 27 19.869 3.009 -19.662 1.00 11.55 C ATOM 419 CG LYS A 27 20.350 4.235 -20.419 1.00 1.24 C ATOM 420 CD LYS A 27 20.563 3.932 -21.892 1.00 41.43 C ATOM 421 CE LYS A 27 21.889 3.225 -22.130 1.00 15.20 C ATOM 422 NZ LYS A 27 21.747 1.744 -22.065 1.00 14.22 N ATOM 0 H LYS A 27 21.333 2.479 -17.442 1.00 12.11 H new ATOM 0 HA LYS A 27 19.055 4.254 -18.108 1.00 31.53 H new ATOM 0 HB2 LYS A 27 20.633 2.234 -19.719 1.00 11.55 H new ATOM 0 HB3 LYS A 27 18.978 2.616 -20.152 1.00 11.55 H new ATOM 0 HG2 LYS A 27 19.621 5.038 -20.314 1.00 1.24 H new ATOM 0 HG3 LYS A 27 21.282 4.591 -19.981 1.00 1.24 H new ATOM 0 HD2 LYS A 27 19.747 3.309 -22.258 1.00 41.43 H new ATOM 0 HD3 LYS A 27 20.537 4.860 -22.463 1.00 41.43 H new ATOM 0 HE2 LYS A 27 22.282 3.510 -23.106 1.00 15.20 H new ATOM 0 HE3 LYS A 27 22.614 3.553 -21.386 1.00 15.20 H new ATOM 0 HZ1 LYS A 27 22.392 1.303 -22.751 1.00 14.22 H new ATOM 0 HZ2 LYS A 27 21.982 1.414 -21.107 1.00 14.22 H new ATOM 0 HZ3 LYS A 27 20.767 1.479 -22.291 1.00 14.22 H new ATOM 436 N ASN A 28 17.323 2.555 -17.557 1.00 54.52 N ATOM 437 CA ASN A 28 16.318 1.622 -17.062 1.00 32.31 C ATOM 438 C ASN A 28 16.070 0.504 -18.070 1.00 62.31 C ATOM 439 O ASN A 28 15.876 -0.652 -17.694 1.00 45.15 O ATOM 440 CB ASN A 28 15.009 2.357 -16.768 1.00 11.34 C ATOM 441 CG ASN A 28 15.001 2.996 -15.392 1.00 22.30 C ATOM 442 OD1 ASN A 28 15.886 3.783 -15.056 1.00 54.40 O ATOM 443 ND2 ASN A 28 13.999 2.657 -14.589 1.00 5.25 N ATOM 0 H ASN A 28 16.957 3.472 -17.812 1.00 54.52 H new ATOM 0 HA ASN A 28 16.694 1.179 -16.139 1.00 32.31 H new ATOM 0 HB2 ASN A 28 14.850 3.126 -17.524 1.00 11.34 H new ATOM 0 HB3 ASN A 28 14.177 1.657 -16.845 1.00 11.34 H new ATOM 0 HD21 ASN A 28 13.941 3.053 -13.651 1.00 5.25 H new ATOM 0 HD22 ASN A 28 13.288 2.000 -14.910 1.00 5.25 H new ATOM 450 N GLU A 29 16.079 0.857 -19.352 1.00 11.24 N ATOM 451 CA GLU A 29 15.855 -0.117 -20.414 1.00 0.35 C ATOM 452 C GLU A 29 17.174 -0.726 -20.880 1.00 41.32 C ATOM 453 O GLU A 29 17.435 -0.825 -22.079 1.00 13.52 O ATOM 454 CB GLU A 29 15.138 0.540 -21.595 1.00 35.31 C ATOM 455 CG GLU A 29 13.932 1.371 -21.189 1.00 44.43 C ATOM 456 CD GLU A 29 13.052 1.736 -22.368 1.00 55.05 C ATOM 457 OE1 GLU A 29 13.556 2.390 -23.305 1.00 62.24 O ATOM 458 OE2 GLU A 29 11.858 1.368 -22.355 1.00 4.34 O ATOM 0 H GLU A 29 16.239 1.810 -19.680 1.00 11.24 H new ATOM 0 HA GLU A 29 15.228 -0.914 -20.015 1.00 0.35 H new ATOM 0 HB2 GLU A 29 15.844 1.176 -22.129 1.00 35.31 H new ATOM 0 HB3 GLU A 29 14.817 -0.235 -22.291 1.00 35.31 H new ATOM 0 HG2 GLU A 29 13.343 0.817 -20.458 1.00 44.43 H new ATOM 0 HG3 GLU A 29 14.272 2.283 -20.698 1.00 44.43 H new ATOM 465 N ALA A 30 18.003 -1.132 -19.924 1.00 14.13 N ATOM 466 CA ALA A 30 19.294 -1.732 -20.236 1.00 34.35 C ATOM 467 C ALA A 30 19.592 -2.906 -19.309 1.00 15.04 C ATOM 468 O ALA A 30 19.042 -2.997 -18.211 1.00 24.13 O ATOM 469 CB ALA A 30 20.397 -0.689 -20.141 1.00 64.31 C ATOM 0 H ALA A 30 17.803 -1.056 -18.927 1.00 14.13 H new ATOM 0 HA ALA A 30 19.254 -2.111 -21.257 1.00 34.35 H new ATOM 0 HB1 ALA A 30 21.356 -1.151 -20.376 1.00 64.31 H new ATOM 0 HB2 ALA A 30 20.198 0.116 -20.849 1.00 64.31 H new ATOM 0 HB3 ALA A 30 20.428 -0.284 -19.130 1.00 64.31 H new ATOM 475 N SER A 31 20.464 -3.803 -19.758 1.00 53.42 N ATOM 476 CA SER A 31 20.831 -4.973 -18.970 1.00 60.54 C ATOM 477 C SER A 31 22.075 -4.696 -18.132 1.00 11.42 C ATOM 478 O SER A 31 22.586 -3.576 -18.111 1.00 1.23 O ATOM 479 CB SER A 31 21.077 -6.174 -19.886 1.00 42.24 C ATOM 480 OG SER A 31 21.166 -7.375 -19.140 1.00 73.20 O ATOM 0 H SER A 31 20.929 -3.742 -20.664 1.00 53.42 H new ATOM 0 HA SER A 31 20.004 -5.201 -18.297 1.00 60.54 H new ATOM 0 HB2 SER A 31 20.268 -6.253 -20.613 1.00 42.24 H new ATOM 0 HB3 SER A 31 21.998 -6.023 -20.449 1.00 42.24 H new ATOM 0 HG SER A 31 20.961 -8.137 -19.721 1.00 73.20 H new ATOM 486 N PHE A 32 22.557 -5.724 -17.441 1.00 51.33 N ATOM 487 CA PHE A 32 23.740 -5.592 -16.600 1.00 3.45 C ATOM 488 C PHE A 32 24.991 -6.053 -17.343 1.00 34.34 C ATOM 489 O PHE A 32 26.072 -5.490 -17.172 1.00 14.41 O ATOM 490 CB PHE A 32 23.570 -6.402 -15.313 1.00 11.33 C ATOM 491 CG PHE A 32 22.311 -6.075 -14.561 1.00 70.33 C ATOM 492 CD1 PHE A 32 21.867 -4.767 -14.463 1.00 53.41 C ATOM 493 CD2 PHE A 32 21.572 -7.077 -13.954 1.00 33.25 C ATOM 494 CE1 PHE A 32 20.709 -4.464 -13.772 1.00 1.44 C ATOM 495 CE2 PHE A 32 20.413 -6.780 -13.261 1.00 31.31 C ATOM 496 CZ PHE A 32 19.981 -5.472 -13.171 1.00 14.32 C ATOM 0 H PHE A 32 22.146 -6.658 -17.447 1.00 51.33 H new ATOM 0 HA PHE A 32 23.858 -4.539 -16.346 1.00 3.45 H new ATOM 0 HB2 PHE A 32 23.572 -7.464 -15.559 1.00 11.33 H new ATOM 0 HB3 PHE A 32 24.428 -6.223 -14.665 1.00 11.33 H new ATOM 0 HD1 PHE A 32 22.432 -3.975 -14.932 1.00 53.41 H new ATOM 0 HD2 PHE A 32 21.905 -8.102 -14.023 1.00 33.25 H new ATOM 0 HE1 PHE A 32 20.374 -3.440 -13.702 1.00 1.44 H new ATOM 0 HE2 PHE A 32 19.847 -7.570 -12.791 1.00 31.31 H new ATOM 0 HZ PHE A 32 19.075 -5.237 -12.632 1.00 14.32 H new ATOM 506 N VAL A 33 24.835 -7.084 -18.168 1.00 14.41 N ATOM 507 CA VAL A 33 25.950 -7.622 -18.938 1.00 15.10 C ATOM 508 C VAL A 33 25.665 -7.558 -20.434 1.00 44.04 C ATOM 509 O VAL A 33 26.571 -7.344 -21.240 1.00 43.21 O ATOM 510 CB VAL A 33 26.250 -9.081 -18.546 1.00 4.45 C ATOM 511 CG1 VAL A 33 25.140 -10.003 -19.025 1.00 14.43 C ATOM 512 CG2 VAL A 33 27.596 -9.516 -19.107 1.00 35.23 C ATOM 0 H VAL A 33 23.947 -7.563 -18.320 1.00 14.41 H new ATOM 0 HA VAL A 33 26.820 -7.006 -18.710 1.00 15.10 H new ATOM 0 HB VAL A 33 26.297 -9.145 -17.459 1.00 4.45 H new ATOM 0 HG11 VAL A 33 25.370 -11.029 -18.739 1.00 14.43 H new ATOM 0 HG12 VAL A 33 24.196 -9.703 -18.570 1.00 14.43 H new ATOM 0 HG13 VAL A 33 25.057 -9.939 -20.110 1.00 14.43 H new ATOM 0 HG21 VAL A 33 27.793 -10.549 -18.821 1.00 35.23 H new ATOM 0 HG22 VAL A 33 27.580 -9.437 -20.194 1.00 35.23 H new ATOM 0 HG23 VAL A 33 28.381 -8.873 -18.708 1.00 35.23 H new ATOM 522 N ASP A 34 24.402 -7.745 -20.799 1.00 51.34 N ATOM 523 CA ASP A 34 23.997 -7.707 -22.200 1.00 10.21 C ATOM 524 C ASP A 34 24.163 -6.304 -22.776 1.00 12.13 C ATOM 525 O ASP A 34 24.294 -6.131 -23.988 1.00 24.24 O ATOM 526 CB ASP A 34 22.544 -8.163 -22.345 1.00 43.15 C ATOM 527 CG ASP A 34 22.229 -9.373 -21.489 1.00 70.41 C ATOM 528 OD1 ASP A 34 23.040 -10.323 -21.482 1.00 70.43 O ATOM 529 OD2 ASP A 34 21.172 -9.371 -20.825 1.00 13.41 O ATOM 0 H ASP A 34 23.640 -7.924 -20.145 1.00 51.34 H new ATOM 0 HA ASP A 34 24.641 -8.387 -22.758 1.00 10.21 H new ATOM 0 HB2 ASP A 34 21.880 -7.344 -22.069 1.00 43.15 H new ATOM 0 HB3 ASP A 34 22.343 -8.399 -23.390 1.00 43.15 H new ATOM 534 N ASP A 35 24.155 -5.306 -21.899 1.00 55.44 N ATOM 535 CA ASP A 35 24.304 -3.917 -22.320 1.00 60.44 C ATOM 536 C ASP A 35 25.567 -3.302 -21.725 1.00 74.02 C ATOM 537 O ASP A 35 26.563 -3.108 -22.422 1.00 44.42 O ATOM 538 CB ASP A 35 23.079 -3.101 -21.905 1.00 21.33 C ATOM 539 CG ASP A 35 21.903 -3.305 -22.840 1.00 3.22 C ATOM 540 OD1 ASP A 35 21.627 -4.468 -23.200 1.00 15.21 O ATOM 541 OD2 ASP A 35 21.260 -2.301 -23.212 1.00 43.22 O ATOM 0 H ASP A 35 24.047 -5.432 -20.893 1.00 55.44 H new ATOM 0 HA ASP A 35 24.390 -3.900 -23.406 1.00 60.44 H new ATOM 0 HB2 ASP A 35 22.787 -3.379 -20.892 1.00 21.33 H new ATOM 0 HB3 ASP A 35 23.342 -2.043 -21.882 1.00 21.33 H new ATOM 546 N LEU A 36 25.517 -2.997 -20.433 1.00 42.53 N ATOM 547 CA LEU A 36 26.657 -2.402 -19.744 1.00 12.34 C ATOM 548 C LEU A 36 27.924 -3.215 -19.985 1.00 24.22 C ATOM 549 O LEU A 36 29.013 -2.660 -20.129 1.00 14.14 O ATOM 550 CB LEU A 36 26.376 -2.306 -18.243 1.00 5.21 C ATOM 551 CG LEU A 36 25.081 -1.597 -17.846 1.00 42.21 C ATOM 552 CD1 LEU A 36 24.613 -2.067 -16.478 1.00 33.31 C ATOM 553 CD2 LEU A 36 25.275 -0.087 -17.856 1.00 31.45 C ATOM 0 H LEU A 36 24.700 -3.152 -19.842 1.00 42.53 H new ATOM 0 HA LEU A 36 26.810 -1.400 -20.144 1.00 12.34 H new ATOM 0 HB2 LEU A 36 26.354 -3.316 -17.833 1.00 5.21 H new ATOM 0 HB3 LEU A 36 27.210 -1.788 -17.770 1.00 5.21 H new ATOM 0 HG LEU A 36 24.312 -1.849 -18.576 1.00 42.21 H new ATOM 0 HD11 LEU A 36 23.690 -1.551 -16.212 1.00 33.31 H new ATOM 0 HD12 LEU A 36 24.434 -3.142 -16.504 1.00 33.31 H new ATOM 0 HD13 LEU A 36 25.379 -1.845 -15.735 1.00 33.31 H new ATOM 0 HD21 LEU A 36 24.343 0.401 -17.571 1.00 31.45 H new ATOM 0 HD22 LEU A 36 26.058 0.184 -17.148 1.00 31.45 H new ATOM 0 HD23 LEU A 36 25.563 0.236 -18.856 1.00 31.45 H new ATOM 565 N GLY A 37 27.775 -4.536 -20.030 1.00 14.31 N ATOM 566 CA GLY A 37 28.915 -5.404 -20.256 1.00 71.30 C ATOM 567 C GLY A 37 29.600 -5.810 -18.966 1.00 51.40 C ATOM 568 O GLY A 37 30.796 -6.097 -18.955 1.00 24.05 O ATOM 0 H GLY A 37 26.885 -5.020 -19.914 1.00 14.31 H new ATOM 0 HA2 GLY A 37 28.587 -6.298 -20.787 1.00 71.30 H new ATOM 0 HA3 GLY A 37 29.632 -4.896 -20.900 1.00 71.30 H new ATOM 572 N ALA A 38 28.840 -5.831 -17.876 1.00 20.21 N ATOM 573 CA ALA A 38 29.381 -6.204 -16.575 1.00 21.41 C ATOM 574 C ALA A 38 29.738 -7.686 -16.533 1.00 60.44 C ATOM 575 O ALA A 38 29.750 -8.361 -17.563 1.00 43.23 O ATOM 576 CB ALA A 38 28.387 -5.868 -15.474 1.00 33.05 C ATOM 0 H ALA A 38 27.848 -5.594 -17.868 1.00 20.21 H new ATOM 0 HA ALA A 38 30.294 -5.632 -16.412 1.00 21.41 H new ATOM 0 HB1 ALA A 38 28.804 -6.152 -14.508 1.00 33.05 H new ATOM 0 HB2 ALA A 38 28.184 -4.797 -15.481 1.00 33.05 H new ATOM 0 HB3 ALA A 38 27.459 -6.414 -15.643 1.00 33.05 H new ATOM 582 N ASP A 39 30.028 -8.187 -15.338 1.00 4.24 N ATOM 583 CA ASP A 39 30.386 -9.590 -15.162 1.00 55.20 C ATOM 584 C ASP A 39 29.240 -10.366 -14.519 1.00 3.31 C ATOM 585 O ASP A 39 28.166 -9.817 -14.275 1.00 74.22 O ATOM 586 CB ASP A 39 31.646 -9.714 -14.305 1.00 45.23 C ATOM 587 CG ASP A 39 32.649 -8.612 -14.588 1.00 32.05 C ATOM 588 OD1 ASP A 39 33.300 -8.661 -15.652 1.00 22.44 O ATOM 589 OD2 ASP A 39 32.783 -7.701 -13.744 1.00 14.32 O ATOM 0 H ASP A 39 30.022 -7.642 -14.476 1.00 4.24 H new ATOM 0 HA ASP A 39 30.583 -10.015 -16.146 1.00 55.20 H new ATOM 0 HB2 ASP A 39 31.369 -9.688 -13.251 1.00 45.23 H new ATOM 0 HB3 ASP A 39 32.113 -10.682 -14.488 1.00 45.23 H new ATOM 594 N SER A 40 29.478 -11.645 -14.248 1.00 32.04 N ATOM 595 CA SER A 40 28.465 -12.498 -13.637 1.00 54.13 C ATOM 596 C SER A 40 28.175 -12.058 -12.205 1.00 62.34 C ATOM 597 O SER A 40 27.018 -11.906 -11.812 1.00 51.10 O ATOM 598 CB SER A 40 28.921 -13.958 -13.652 1.00 74.23 C ATOM 599 OG SER A 40 29.495 -14.301 -14.902 1.00 15.51 O ATOM 0 H SER A 40 30.363 -12.114 -14.442 1.00 32.04 H new ATOM 0 HA SER A 40 27.548 -12.405 -14.219 1.00 54.13 H new ATOM 0 HB2 SER A 40 29.648 -14.123 -12.857 1.00 74.23 H new ATOM 0 HB3 SER A 40 28.071 -14.610 -13.447 1.00 74.23 H new ATOM 0 HG SER A 40 29.780 -15.239 -14.885 1.00 15.51 H new ATOM 605 N LEU A 41 29.235 -11.856 -11.430 1.00 34.01 N ATOM 606 CA LEU A 41 29.096 -11.434 -10.040 1.00 43.44 C ATOM 607 C LEU A 41 28.226 -10.185 -9.935 1.00 31.42 C ATOM 608 O LEU A 41 27.496 -10.006 -8.960 1.00 4.05 O ATOM 609 CB LEU A 41 30.472 -11.163 -9.430 1.00 4.23 C ATOM 610 CG LEU A 41 30.705 -11.720 -8.025 1.00 33.11 C ATOM 611 CD1 LEU A 41 32.041 -12.442 -7.951 1.00 43.13 C ATOM 612 CD2 LEU A 41 30.641 -10.605 -6.991 1.00 40.04 C ATOM 0 H LEU A 41 30.199 -11.977 -11.740 1.00 34.01 H new ATOM 0 HA LEU A 41 28.612 -12.239 -9.487 1.00 43.44 H new ATOM 0 HB2 LEU A 41 31.230 -11.579 -10.094 1.00 4.23 H new ATOM 0 HB3 LEU A 41 30.629 -10.085 -9.402 1.00 4.23 H new ATOM 0 HG LEU A 41 29.915 -12.438 -7.805 1.00 33.11 H new ATOM 0 HD11 LEU A 41 32.189 -12.831 -6.944 1.00 43.13 H new ATOM 0 HD12 LEU A 41 32.049 -13.267 -8.664 1.00 43.13 H new ATOM 0 HD13 LEU A 41 32.844 -11.746 -8.193 1.00 43.13 H new ATOM 0 HD21 LEU A 41 30.809 -11.020 -5.997 1.00 40.04 H new ATOM 0 HD22 LEU A 41 31.409 -9.862 -7.209 1.00 40.04 H new ATOM 0 HD23 LEU A 41 29.659 -10.133 -7.026 1.00 40.04 H new ATOM 624 N ASP A 42 28.307 -9.327 -10.946 1.00 34.25 N ATOM 625 CA ASP A 42 27.524 -8.097 -10.968 1.00 73.03 C ATOM 626 C ASP A 42 26.030 -8.403 -10.927 1.00 53.25 C ATOM 627 O ASP A 42 25.334 -8.033 -9.981 1.00 4.12 O ATOM 628 CB ASP A 42 27.856 -7.279 -12.217 1.00 74.24 C ATOM 629 CG ASP A 42 29.289 -6.784 -12.222 1.00 34.43 C ATOM 630 OD1 ASP A 42 30.208 -7.626 -12.136 1.00 35.15 O ATOM 631 OD2 ASP A 42 29.491 -5.556 -12.312 1.00 44.30 O ATOM 0 H ASP A 42 28.906 -9.460 -11.760 1.00 34.25 H new ATOM 0 HA ASP A 42 27.781 -7.515 -10.083 1.00 73.03 H new ATOM 0 HB2 ASP A 42 27.682 -7.889 -13.104 1.00 74.24 H new ATOM 0 HB3 ASP A 42 27.180 -6.426 -12.279 1.00 74.24 H new ATOM 636 N THR A 43 25.541 -9.080 -11.962 1.00 31.12 N ATOM 637 CA THR A 43 24.129 -9.434 -12.046 1.00 5.34 C ATOM 638 C THR A 43 23.660 -10.129 -10.773 1.00 4.03 C ATOM 639 O THR A 43 22.651 -9.747 -10.181 1.00 33.23 O ATOM 640 CB THR A 43 23.851 -10.352 -13.251 1.00 11.51 C ATOM 641 OG1 THR A 43 24.502 -11.614 -13.066 1.00 51.54 O ATOM 642 CG2 THR A 43 24.334 -9.710 -14.543 1.00 1.12 C ATOM 0 H THR A 43 26.102 -9.394 -12.754 1.00 31.12 H new ATOM 0 HA THR A 43 23.577 -8.503 -12.173 1.00 5.34 H new ATOM 0 HB THR A 43 22.774 -10.507 -13.322 1.00 11.51 H new ATOM 0 HG1 THR A 43 25.416 -11.467 -12.745 1.00 51.54 H new ATOM 0 HG21 THR A 43 24.127 -10.377 -15.380 1.00 1.12 H new ATOM 0 HG22 THR A 43 23.815 -8.764 -14.696 1.00 1.12 H new ATOM 0 HG23 THR A 43 25.407 -9.529 -14.480 1.00 1.12 H new ATOM 650 N VAL A 44 24.400 -11.152 -10.356 1.00 11.35 N ATOM 651 CA VAL A 44 24.060 -11.900 -9.151 1.00 3.41 C ATOM 652 C VAL A 44 24.046 -10.992 -7.926 1.00 42.22 C ATOM 653 O VAL A 44 23.229 -11.165 -7.023 1.00 54.11 O ATOM 654 CB VAL A 44 25.051 -13.054 -8.909 1.00 73.11 C ATOM 655 CG1 VAL A 44 24.681 -13.820 -7.648 1.00 1.43 C ATOM 656 CG2 VAL A 44 25.090 -13.982 -10.114 1.00 25.44 C ATOM 0 H VAL A 44 25.238 -11.481 -10.835 1.00 11.35 H new ATOM 0 HA VAL A 44 23.063 -12.313 -9.305 1.00 3.41 H new ATOM 0 HB VAL A 44 26.047 -12.633 -8.770 1.00 73.11 H new ATOM 0 HG11 VAL A 44 25.392 -14.631 -7.493 1.00 1.43 H new ATOM 0 HG12 VAL A 44 24.708 -13.146 -6.792 1.00 1.43 H new ATOM 0 HG13 VAL A 44 23.678 -14.232 -7.754 1.00 1.43 H new ATOM 0 HG21 VAL A 44 25.795 -14.792 -9.927 1.00 25.44 H new ATOM 0 HG22 VAL A 44 24.097 -14.398 -10.285 1.00 25.44 H new ATOM 0 HG23 VAL A 44 25.406 -13.422 -10.994 1.00 25.44 H new ATOM 666 N GLU A 45 24.957 -10.024 -7.903 1.00 51.54 N ATOM 667 CA GLU A 45 25.049 -9.088 -6.789 1.00 33.35 C ATOM 668 C GLU A 45 23.775 -8.256 -6.670 1.00 61.11 C ATOM 669 O GLU A 45 23.276 -8.017 -5.570 1.00 3.25 O ATOM 670 CB GLU A 45 26.258 -8.168 -6.965 1.00 1.54 C ATOM 671 CG GLU A 45 26.456 -7.196 -5.813 1.00 63.21 C ATOM 672 CD GLU A 45 27.917 -6.865 -5.574 1.00 33.11 C ATOM 673 OE1 GLU A 45 28.464 -6.024 -6.317 1.00 23.13 O ATOM 674 OE2 GLU A 45 28.512 -7.448 -4.643 1.00 14.40 O ATOM 0 H GLU A 45 25.641 -9.868 -8.643 1.00 51.54 H new ATOM 0 HA GLU A 45 25.172 -9.665 -5.873 1.00 33.35 H new ATOM 0 HB2 GLU A 45 27.155 -8.778 -7.073 1.00 1.54 H new ATOM 0 HB3 GLU A 45 26.143 -7.603 -7.890 1.00 1.54 H new ATOM 0 HG2 GLU A 45 25.908 -6.277 -6.020 1.00 63.21 H new ATOM 0 HG3 GLU A 45 26.031 -7.623 -4.905 1.00 63.21 H new ATOM 681 N LEU A 46 23.254 -7.817 -7.811 1.00 22.35 N ATOM 682 CA LEU A 46 22.039 -7.011 -7.836 1.00 73.03 C ATOM 683 C LEU A 46 20.837 -7.823 -7.365 1.00 14.12 C ATOM 684 O LEU A 46 20.041 -7.358 -6.548 1.00 45.41 O ATOM 685 CB LEU A 46 21.787 -6.478 -9.248 1.00 15.13 C ATOM 686 CG LEU A 46 22.931 -5.684 -9.880 1.00 34.32 C ATOM 687 CD1 LEU A 46 22.483 -5.052 -11.188 1.00 75.24 C ATOM 688 CD2 LEU A 46 23.437 -4.620 -8.917 1.00 60.11 C ATOM 0 H LEU A 46 23.654 -8.006 -8.730 1.00 22.35 H new ATOM 0 HA LEU A 46 22.175 -6.171 -7.155 1.00 73.03 H new ATOM 0 HB2 LEU A 46 21.555 -7.322 -9.897 1.00 15.13 H new ATOM 0 HB3 LEU A 46 20.901 -5.843 -9.222 1.00 15.13 H new ATOM 0 HG LEU A 46 23.750 -6.371 -10.094 1.00 34.32 H new ATOM 0 HD11 LEU A 46 23.310 -4.491 -11.623 1.00 75.24 H new ATOM 0 HD12 LEU A 46 22.170 -5.833 -11.881 1.00 75.24 H new ATOM 0 HD13 LEU A 46 21.647 -4.378 -10.999 1.00 75.24 H new ATOM 0 HD21 LEU A 46 24.251 -4.065 -9.383 1.00 60.11 H new ATOM 0 HD22 LEU A 46 22.625 -3.936 -8.671 1.00 60.11 H new ATOM 0 HD23 LEU A 46 23.798 -5.096 -8.006 1.00 60.11 H new ATOM 700 N VAL A 47 20.711 -9.041 -7.883 1.00 41.53 N ATOM 701 CA VAL A 47 19.608 -9.919 -7.513 1.00 61.20 C ATOM 702 C VAL A 47 19.551 -10.123 -6.003 1.00 72.03 C ATOM 703 O VAL A 47 18.531 -9.854 -5.369 1.00 22.12 O ATOM 704 CB VAL A 47 19.729 -11.292 -8.201 1.00 53.11 C ATOM 705 CG1 VAL A 47 18.584 -12.201 -7.783 1.00 34.51 C ATOM 706 CG2 VAL A 47 19.765 -11.128 -9.713 1.00 64.11 C ATOM 0 H VAL A 47 21.360 -9.442 -8.560 1.00 41.53 H new ATOM 0 HA VAL A 47 18.691 -9.433 -7.846 1.00 61.20 H new ATOM 0 HB VAL A 47 20.664 -11.756 -7.886 1.00 53.11 H new ATOM 0 HG11 VAL A 47 18.686 -13.166 -8.279 1.00 34.51 H new ATOM 0 HG12 VAL A 47 18.608 -12.344 -6.703 1.00 34.51 H new ATOM 0 HG13 VAL A 47 17.635 -11.746 -8.067 1.00 34.51 H new ATOM 0 HG21 VAL A 47 19.851 -12.108 -10.183 1.00 64.11 H new ATOM 0 HG22 VAL A 47 18.848 -10.643 -10.048 1.00 64.11 H new ATOM 0 HG23 VAL A 47 20.622 -10.515 -9.992 1.00 64.11 H new ATOM 716 N MET A 48 20.653 -10.600 -5.434 1.00 0.41 N ATOM 717 CA MET A 48 20.729 -10.838 -3.997 1.00 73.01 C ATOM 718 C MET A 48 20.469 -9.552 -3.218 1.00 73.43 C ATOM 719 O MET A 48 19.846 -9.574 -2.157 1.00 52.23 O ATOM 720 CB MET A 48 22.100 -11.406 -3.624 1.00 54.42 C ATOM 721 CG MET A 48 23.248 -10.447 -3.893 1.00 11.42 C ATOM 722 SD MET A 48 24.850 -11.134 -3.432 1.00 34.43 S ATOM 723 CE MET A 48 24.848 -10.842 -1.665 1.00 12.43 C ATOM 0 H MET A 48 21.505 -10.829 -5.945 1.00 0.41 H new ATOM 0 HA MET A 48 19.959 -11.563 -3.733 1.00 73.01 H new ATOM 0 HB2 MET A 48 22.099 -11.671 -2.567 1.00 54.42 H new ATOM 0 HB3 MET A 48 22.267 -12.326 -4.183 1.00 54.42 H new ATOM 0 HG2 MET A 48 23.259 -10.188 -4.952 1.00 11.42 H new ATOM 0 HG3 MET A 48 23.081 -9.522 -3.340 1.00 11.42 H new ATOM 0 HE1 MET A 48 25.778 -11.214 -1.234 1.00 12.43 H new ATOM 0 HE2 MET A 48 24.761 -9.773 -1.473 1.00 12.43 H new ATOM 0 HE3 MET A 48 24.004 -11.362 -1.211 1.00 12.43 H new ATOM 733 N ALA A 49 20.950 -8.435 -3.752 1.00 43.32 N ATOM 734 CA ALA A 49 20.768 -7.140 -3.108 1.00 22.12 C ATOM 735 C ALA A 49 19.288 -6.809 -2.949 1.00 60.14 C ATOM 736 O ALA A 49 18.866 -6.279 -1.921 1.00 24.15 O ATOM 737 CB ALA A 49 21.472 -6.051 -3.903 1.00 44.11 C ATOM 0 H ALA A 49 21.469 -8.400 -4.629 1.00 43.32 H new ATOM 0 HA ALA A 49 21.211 -7.192 -2.113 1.00 22.12 H new ATOM 0 HB1 ALA A 49 21.327 -5.090 -3.410 1.00 44.11 H new ATOM 0 HB2 ALA A 49 22.538 -6.273 -3.960 1.00 44.11 H new ATOM 0 HB3 ALA A 49 21.056 -6.009 -4.910 1.00 44.11 H new ATOM 743 N LEU A 50 18.503 -7.124 -3.974 1.00 45.32 N ATOM 744 CA LEU A 50 17.069 -6.859 -3.949 1.00 41.10 C ATOM 745 C LEU A 50 16.367 -7.759 -2.937 1.00 11.51 C ATOM 746 O LEU A 50 15.738 -7.276 -1.996 1.00 33.31 O ATOM 747 CB LEU A 50 16.467 -7.070 -5.339 1.00 42.55 C ATOM 748 CG LEU A 50 16.947 -6.112 -6.431 1.00 1.13 C ATOM 749 CD1 LEU A 50 16.630 -6.671 -7.809 1.00 12.11 C ATOM 750 CD2 LEU A 50 16.315 -4.739 -6.251 1.00 60.34 C ATOM 0 H LEU A 50 18.836 -7.563 -4.832 1.00 45.32 H new ATOM 0 HA LEU A 50 16.921 -5.821 -3.649 1.00 41.10 H new ATOM 0 HB2 LEU A 50 16.685 -8.090 -5.657 1.00 42.55 H new ATOM 0 HB3 LEU A 50 15.383 -6.986 -5.260 1.00 42.55 H new ATOM 0 HG LEU A 50 18.028 -6.006 -6.345 1.00 1.13 H new ATOM 0 HD11 LEU A 50 16.979 -5.976 -8.573 1.00 12.11 H new ATOM 0 HD12 LEU A 50 17.131 -7.631 -7.936 1.00 12.11 H new ATOM 0 HD13 LEU A 50 15.553 -6.808 -7.907 1.00 12.11 H new ATOM 0 HD21 LEU A 50 16.668 -4.070 -7.036 1.00 60.34 H new ATOM 0 HD22 LEU A 50 15.230 -4.827 -6.310 1.00 60.34 H new ATOM 0 HD23 LEU A 50 16.594 -4.335 -5.278 1.00 60.34 H new ATOM 762 N GLU A 51 16.482 -9.068 -3.137 1.00 14.22 N ATOM 763 CA GLU A 51 15.858 -10.034 -2.240 1.00 64.21 C ATOM 764 C GLU A 51 16.318 -9.816 -0.801 1.00 71.33 C ATOM 765 O GLU A 51 15.650 -10.235 0.144 1.00 41.52 O ATOM 766 CB GLU A 51 16.190 -11.461 -2.682 1.00 73.13 C ATOM 767 CG GLU A 51 17.668 -11.800 -2.588 1.00 11.21 C ATOM 768 CD GLU A 51 18.024 -13.070 -3.336 1.00 44.53 C ATOM 769 OE1 GLU A 51 17.935 -13.068 -4.582 1.00 41.11 O ATOM 770 OE2 GLU A 51 18.392 -14.064 -2.677 1.00 62.11 O ATOM 0 H GLU A 51 17.001 -9.484 -3.911 1.00 14.22 H new ATOM 0 HA GLU A 51 14.779 -9.889 -2.284 1.00 64.21 H new ATOM 0 HB2 GLU A 51 15.625 -12.163 -2.068 1.00 73.13 H new ATOM 0 HB3 GLU A 51 15.859 -11.600 -3.711 1.00 73.13 H new ATOM 0 HG2 GLU A 51 18.253 -10.972 -2.987 1.00 11.21 H new ATOM 0 HG3 GLU A 51 17.946 -11.910 -1.540 1.00 11.21 H new ATOM 777 N GLU A 52 17.463 -9.159 -0.645 1.00 31.31 N ATOM 778 CA GLU A 52 18.012 -8.887 0.678 1.00 23.31 C ATOM 779 C GLU A 52 17.451 -7.586 1.243 1.00 1.41 C ATOM 780 O GLU A 52 16.774 -7.585 2.271 1.00 51.55 O ATOM 781 CB GLU A 52 19.539 -8.812 0.615 1.00 22.52 C ATOM 782 CG GLU A 52 20.196 -8.621 1.972 1.00 33.42 C ATOM 783 CD GLU A 52 21.651 -9.048 1.982 1.00 73.04 C ATOM 784 OE1 GLU A 52 21.926 -10.228 1.681 1.00 75.35 O ATOM 785 OE2 GLU A 52 22.515 -8.201 2.290 1.00 12.41 O ATOM 0 H GLU A 52 18.028 -8.806 -1.417 1.00 31.31 H new ATOM 0 HA GLU A 52 17.722 -9.704 1.338 1.00 23.31 H new ATOM 0 HB2 GLU A 52 19.921 -9.727 0.162 1.00 22.52 H new ATOM 0 HB3 GLU A 52 19.827 -7.988 -0.038 1.00 22.52 H new ATOM 0 HG2 GLU A 52 20.127 -7.572 2.260 1.00 33.42 H new ATOM 0 HG3 GLU A 52 19.648 -9.194 2.720 1.00 33.42 H new ATOM 792 N GLU A 53 17.739 -6.480 0.564 1.00 41.31 N ATOM 793 CA GLU A 53 17.264 -5.171 0.999 1.00 24.40 C ATOM 794 C GLU A 53 15.740 -5.108 0.968 1.00 1.15 C ATOM 795 O GLU A 53 15.095 -4.917 1.999 1.00 33.05 O ATOM 796 CB GLU A 53 17.850 -4.071 0.112 1.00 54.25 C ATOM 797 CG GLU A 53 18.475 -2.927 0.893 1.00 72.24 C ATOM 798 CD GLU A 53 19.951 -3.145 1.165 1.00 55.22 C ATOM 799 OE1 GLU A 53 20.720 -3.278 0.190 1.00 74.21 O ATOM 800 OE2 GLU A 53 20.336 -3.182 2.352 1.00 63.02 O ATOM 0 H GLU A 53 18.298 -6.464 -0.289 1.00 41.31 H new ATOM 0 HA GLU A 53 17.596 -5.015 2.025 1.00 24.40 H new ATOM 0 HB2 GLU A 53 18.604 -4.507 -0.543 1.00 54.25 H new ATOM 0 HB3 GLU A 53 17.062 -3.675 -0.529 1.00 54.25 H new ATOM 0 HG2 GLU A 53 18.345 -1.999 0.337 1.00 72.24 H new ATOM 0 HG3 GLU A 53 17.948 -2.808 1.840 1.00 72.24 H new ATOM 807 N PHE A 54 15.171 -5.269 -0.222 1.00 12.45 N ATOM 808 CA PHE A 54 13.723 -5.228 -0.388 1.00 73.10 C ATOM 809 C PHE A 54 13.061 -6.410 0.315 1.00 1.42 C ATOM 810 O PHE A 54 11.846 -6.428 0.512 1.00 51.31 O ATOM 811 CB PHE A 54 13.358 -5.236 -1.874 1.00 45.41 C ATOM 812 CG PHE A 54 13.295 -3.864 -2.483 1.00 1.23 C ATOM 813 CD1 PHE A 54 12.124 -3.125 -2.439 1.00 34.41 C ATOM 814 CD2 PHE A 54 14.407 -3.313 -3.099 1.00 61.11 C ATOM 815 CE1 PHE A 54 12.062 -1.863 -2.998 1.00 0.34 C ATOM 816 CE2 PHE A 54 14.352 -2.051 -3.659 1.00 53.21 C ATOM 817 CZ PHE A 54 13.177 -1.325 -3.609 1.00 64.25 C ATOM 0 H PHE A 54 15.690 -5.429 -1.085 1.00 12.45 H new ATOM 0 HA PHE A 54 13.357 -4.306 0.065 1.00 73.10 H new ATOM 0 HB2 PHE A 54 14.091 -5.833 -2.417 1.00 45.41 H new ATOM 0 HB3 PHE A 54 12.392 -5.726 -2.000 1.00 45.41 H new ATOM 0 HD1 PHE A 54 11.249 -3.541 -1.962 1.00 34.41 H new ATOM 0 HD2 PHE A 54 15.327 -3.876 -3.142 1.00 61.11 H new ATOM 0 HE1 PHE A 54 11.142 -1.298 -2.957 1.00 0.34 H new ATOM 0 HE2 PHE A 54 15.226 -1.632 -4.135 1.00 53.21 H new ATOM 0 HZ PHE A 54 13.131 -0.339 -4.047 1.00 64.25 H new ATOM 827 N ASP A 55 13.869 -7.395 0.691 1.00 4.40 N ATOM 828 CA ASP A 55 13.364 -8.580 1.373 1.00 71.41 C ATOM 829 C ASP A 55 12.367 -9.329 0.494 1.00 61.22 C ATOM 830 O ASP A 55 11.364 -9.852 0.980 1.00 32.41 O ATOM 831 CB ASP A 55 12.704 -8.191 2.697 1.00 72.35 C ATOM 832 CG ASP A 55 12.757 -9.308 3.720 1.00 22.14 C ATOM 833 OD1 ASP A 55 13.872 -9.782 4.023 1.00 71.20 O ATOM 834 OD2 ASP A 55 11.684 -9.709 4.219 1.00 40.44 O ATOM 0 H ASP A 55 14.877 -7.396 0.535 1.00 4.40 H new ATOM 0 HA ASP A 55 14.208 -9.239 1.577 1.00 71.41 H new ATOM 0 HB2 ASP A 55 13.200 -7.308 3.101 1.00 72.35 H new ATOM 0 HB3 ASP A 55 11.665 -7.918 2.515 1.00 72.35 H new ATOM 839 N THR A 56 12.649 -9.376 -0.805 1.00 22.25 N ATOM 840 CA THR A 56 11.777 -10.058 -1.752 1.00 70.50 C ATOM 841 C THR A 56 12.228 -11.497 -1.977 1.00 62.02 C ATOM 842 O THR A 56 13.347 -11.868 -1.625 1.00 44.23 O ATOM 843 CB THR A 56 11.738 -9.327 -3.107 1.00 14.31 C ATOM 844 OG1 THR A 56 13.069 -9.024 -3.539 1.00 72.11 O ATOM 845 CG2 THR A 56 10.928 -8.043 -3.005 1.00 52.12 C ATOM 0 H THR A 56 13.475 -8.949 -1.224 1.00 22.25 H new ATOM 0 HA THR A 56 10.777 -10.057 -1.318 1.00 70.50 H new ATOM 0 HB THR A 56 11.261 -9.983 -3.835 1.00 14.31 H new ATOM 0 HG1 THR A 56 13.035 -8.561 -4.402 1.00 72.11 H new ATOM 0 HG21 THR A 56 10.914 -7.544 -3.974 1.00 52.12 H new ATOM 0 HG22 THR A 56 9.907 -8.280 -2.704 1.00 52.12 H new ATOM 0 HG23 THR A 56 11.381 -7.385 -2.264 1.00 52.12 H new ATOM 853 N GLU A 57 11.350 -12.303 -2.566 1.00 51.44 N ATOM 854 CA GLU A 57 11.660 -13.701 -2.838 1.00 31.30 C ATOM 855 C GLU A 57 12.142 -13.883 -4.274 1.00 43.33 C ATOM 856 O GLU A 57 11.363 -14.227 -5.163 1.00 54.11 O ATOM 857 CB GLU A 57 10.431 -14.577 -2.587 1.00 34.22 C ATOM 858 CG GLU A 57 10.259 -14.983 -1.133 1.00 1.45 C ATOM 859 CD GLU A 57 11.295 -15.994 -0.683 1.00 23.22 C ATOM 860 OE1 GLU A 57 11.418 -17.050 -1.338 1.00 45.34 O ATOM 861 OE2 GLU A 57 11.983 -15.729 0.325 1.00 24.54 O ATOM 0 H GLU A 57 10.419 -12.012 -2.864 1.00 51.44 H new ATOM 0 HA GLU A 57 12.460 -14.006 -2.163 1.00 31.30 H new ATOM 0 HB2 GLU A 57 9.540 -14.040 -2.913 1.00 34.22 H new ATOM 0 HB3 GLU A 57 10.504 -15.475 -3.200 1.00 34.22 H new ATOM 0 HG2 GLU A 57 10.324 -14.097 -0.502 1.00 1.45 H new ATOM 0 HG3 GLU A 57 9.263 -15.402 -0.992 1.00 1.45 H new ATOM 868 N ILE A 58 13.432 -13.648 -4.493 1.00 73.21 N ATOM 869 CA ILE A 58 14.018 -13.786 -5.820 1.00 42.03 C ATOM 870 C ILE A 58 14.979 -14.969 -5.877 1.00 35.22 C ATOM 871 O ILE A 58 16.198 -14.814 -5.811 1.00 62.42 O ATOM 872 CB ILE A 58 14.770 -12.509 -6.239 1.00 50.30 C ATOM 873 CG1 ILE A 58 13.827 -11.304 -6.214 1.00 32.13 C ATOM 874 CG2 ILE A 58 15.379 -12.682 -7.622 1.00 64.12 C ATOM 875 CD1 ILE A 58 12.613 -11.468 -7.102 1.00 22.24 C ATOM 0 H ILE A 58 14.090 -13.361 -3.769 1.00 73.21 H new ATOM 0 HA ILE A 58 13.193 -13.957 -6.512 1.00 42.03 H new ATOM 0 HB ILE A 58 15.577 -12.331 -5.528 1.00 50.30 H new ATOM 0 HG12 ILE A 58 13.497 -11.132 -5.189 1.00 32.13 H new ATOM 0 HG13 ILE A 58 14.377 -10.416 -6.525 1.00 32.13 H new ATOM 0 HG21 ILE A 58 15.907 -11.771 -7.904 1.00 64.12 H new ATOM 0 HG22 ILE A 58 16.079 -13.518 -7.610 1.00 64.12 H new ATOM 0 HG23 ILE A 58 14.588 -12.882 -8.345 1.00 64.12 H new ATOM 0 HD11 ILE A 58 11.990 -10.576 -7.034 1.00 22.24 H new ATOM 0 HD12 ILE A 58 12.934 -11.609 -8.134 1.00 22.24 H new ATOM 0 HD13 ILE A 58 12.040 -12.337 -6.778 1.00 22.24 H new ATOM 887 N PRO A 59 14.418 -16.181 -6.003 1.00 54.13 N ATOM 888 CA PRO A 59 15.206 -17.415 -6.074 1.00 40.32 C ATOM 889 C PRO A 59 15.985 -17.531 -7.380 1.00 52.10 C ATOM 890 O PRO A 59 16.054 -16.580 -8.159 1.00 24.01 O ATOM 891 CB PRO A 59 14.148 -18.517 -5.983 1.00 23.45 C ATOM 892 CG PRO A 59 12.898 -17.887 -6.492 1.00 3.55 C ATOM 893 CD PRO A 59 12.970 -16.440 -6.088 1.00 4.14 C ATOM 0 HA PRO A 59 15.960 -17.463 -5.288 1.00 40.32 H new ATOM 0 HB2 PRO A 59 14.427 -19.384 -6.583 1.00 23.45 H new ATOM 0 HB3 PRO A 59 14.026 -18.865 -4.957 1.00 23.45 H new ATOM 0 HG2 PRO A 59 12.824 -17.987 -7.575 1.00 3.55 H new ATOM 0 HG3 PRO A 59 12.017 -18.368 -6.066 1.00 3.55 H new ATOM 0 HD2 PRO A 59 12.489 -15.794 -6.822 1.00 4.14 H new ATOM 0 HD3 PRO A 59 12.474 -16.264 -5.134 1.00 4.14 H new ATOM 901 N ASP A 60 16.568 -18.701 -7.613 1.00 64.22 N ATOM 902 CA ASP A 60 17.341 -18.942 -8.826 1.00 62.02 C ATOM 903 C ASP A 60 16.520 -18.610 -10.068 1.00 44.14 C ATOM 904 O ASP A 60 16.977 -17.881 -10.948 1.00 71.25 O ATOM 905 CB ASP A 60 17.805 -20.399 -8.880 1.00 52.54 C ATOM 906 CG ASP A 60 18.413 -20.763 -10.220 1.00 45.13 C ATOM 907 OD1 ASP A 60 19.267 -19.995 -10.713 1.00 74.32 O ATOM 908 OD2 ASP A 60 18.037 -21.816 -10.776 1.00 23.15 O ATOM 0 H ASP A 60 16.520 -19.498 -6.978 1.00 64.22 H new ATOM 0 HA ASP A 60 18.215 -18.291 -8.806 1.00 62.02 H new ATOM 0 HB2 ASP A 60 18.538 -20.573 -8.092 1.00 52.54 H new ATOM 0 HB3 ASP A 60 16.958 -21.055 -8.678 1.00 52.54 H new ATOM 913 N GLU A 61 15.308 -19.151 -10.132 1.00 54.33 N ATOM 914 CA GLU A 61 14.425 -18.913 -11.268 1.00 54.40 C ATOM 915 C GLU A 61 14.278 -17.418 -11.539 1.00 70.13 C ATOM 916 O GLU A 61 14.733 -16.916 -12.566 1.00 64.23 O ATOM 917 CB GLU A 61 13.050 -19.533 -11.012 1.00 75.02 C ATOM 918 CG GLU A 61 13.023 -21.043 -11.177 1.00 71.33 C ATOM 919 CD GLU A 61 11.660 -21.638 -10.883 1.00 74.32 C ATOM 920 OE1 GLU A 61 11.158 -21.443 -9.756 1.00 25.11 O ATOM 921 OE2 GLU A 61 11.094 -22.299 -11.779 1.00 41.02 O ATOM 0 H GLU A 61 14.915 -19.757 -9.411 1.00 54.33 H new ATOM 0 HA GLU A 61 14.870 -19.382 -12.146 1.00 54.40 H new ATOM 0 HB2 GLU A 61 12.730 -19.281 -10.001 1.00 75.02 H new ATOM 0 HB3 GLU A 61 12.327 -19.088 -11.696 1.00 75.02 H new ATOM 0 HG2 GLU A 61 13.315 -21.299 -12.196 1.00 71.33 H new ATOM 0 HG3 GLU A 61 13.762 -21.491 -10.512 1.00 71.33 H new ATOM 928 N GLU A 62 13.638 -16.714 -10.611 1.00 4.04 N ATOM 929 CA GLU A 62 13.430 -15.277 -10.751 1.00 25.55 C ATOM 930 C GLU A 62 14.757 -14.554 -10.963 1.00 40.14 C ATOM 931 O GLU A 62 14.800 -13.477 -11.557 1.00 3.44 O ATOM 932 CB GLU A 62 12.725 -14.719 -9.513 1.00 1.11 C ATOM 933 CG GLU A 62 11.428 -15.435 -9.176 1.00 60.24 C ATOM 934 CD GLU A 62 10.598 -15.747 -10.406 1.00 71.23 C ATOM 935 OE1 GLU A 62 10.939 -16.710 -11.125 1.00 2.23 O ATOM 936 OE2 GLU A 62 9.606 -15.028 -10.650 1.00 21.20 O ATOM 0 H GLU A 62 13.255 -17.115 -9.755 1.00 4.04 H new ATOM 0 HA GLU A 62 12.801 -15.110 -11.625 1.00 25.55 H new ATOM 0 HB2 GLU A 62 13.400 -14.787 -8.660 1.00 1.11 H new ATOM 0 HB3 GLU A 62 12.516 -13.661 -9.671 1.00 1.11 H new ATOM 0 HG2 GLU A 62 11.655 -16.363 -8.651 1.00 60.24 H new ATOM 0 HG3 GLU A 62 10.843 -14.818 -8.494 1.00 60.24 H new ATOM 943 N ALA A 63 15.837 -15.154 -10.474 1.00 70.41 N ATOM 944 CA ALA A 63 17.165 -14.569 -10.611 1.00 52.04 C ATOM 945 C ALA A 63 17.678 -14.701 -12.041 1.00 72.24 C ATOM 946 O ALA A 63 18.490 -13.896 -12.496 1.00 14.25 O ATOM 947 CB ALA A 63 18.134 -15.224 -9.638 1.00 73.34 C ATOM 0 H ALA A 63 15.818 -16.046 -9.979 1.00 70.41 H new ATOM 0 HA ALA A 63 17.093 -13.507 -10.375 1.00 52.04 H new ATOM 0 HB1 ALA A 63 19.122 -14.777 -9.752 1.00 73.34 H new ATOM 0 HB2 ALA A 63 17.783 -15.073 -8.617 1.00 73.34 H new ATOM 0 HB3 ALA A 63 18.193 -16.292 -9.847 1.00 73.34 H new ATOM 953 N GLU A 64 17.199 -15.722 -12.745 1.00 71.31 N ATOM 954 CA GLU A 64 17.612 -15.960 -14.123 1.00 55.44 C ATOM 955 C GLU A 64 16.866 -15.035 -15.081 1.00 73.13 C ATOM 956 O GLU A 64 17.417 -14.589 -16.088 1.00 2.45 O ATOM 957 CB GLU A 64 17.364 -17.419 -14.509 1.00 74.33 C ATOM 958 CG GLU A 64 18.428 -18.374 -13.995 1.00 34.13 C ATOM 959 CD GLU A 64 19.594 -18.519 -14.953 1.00 32.40 C ATOM 960 OE1 GLU A 64 19.530 -19.399 -15.837 1.00 22.22 O ATOM 961 OE2 GLU A 64 20.570 -17.752 -14.819 1.00 22.33 O ATOM 0 H GLU A 64 16.525 -16.397 -12.384 1.00 71.31 H new ATOM 0 HA GLU A 64 18.679 -15.749 -14.197 1.00 55.44 H new ATOM 0 HB2 GLU A 64 16.393 -17.728 -14.122 1.00 74.33 H new ATOM 0 HB3 GLU A 64 17.314 -17.495 -15.595 1.00 74.33 H new ATOM 0 HG2 GLU A 64 18.796 -18.018 -13.032 1.00 34.13 H new ATOM 0 HG3 GLU A 64 17.980 -19.353 -13.823 1.00 34.13 H new ATOM 968 N LYS A 65 15.607 -14.752 -14.762 1.00 25.14 N ATOM 969 CA LYS A 65 14.784 -13.881 -15.592 1.00 1.35 C ATOM 970 C LYS A 65 15.104 -12.413 -15.325 1.00 24.43 C ATOM 971 O LYS A 65 15.015 -11.576 -16.223 1.00 1.11 O ATOM 972 CB LYS A 65 13.300 -14.146 -15.329 1.00 51.41 C ATOM 973 CG LYS A 65 12.795 -13.542 -14.030 1.00 55.54 C ATOM 974 CD LYS A 65 11.305 -13.778 -13.848 1.00 33.11 C ATOM 975 CE LYS A 65 10.482 -12.893 -14.772 1.00 65.33 C ATOM 976 NZ LYS A 65 10.489 -11.471 -14.330 1.00 22.42 N ATOM 0 H LYS A 65 15.135 -15.114 -13.934 1.00 25.14 H new ATOM 0 HA LYS A 65 15.007 -14.099 -16.636 1.00 1.35 H new ATOM 0 HB2 LYS A 65 12.716 -13.746 -16.157 1.00 51.41 H new ATOM 0 HB3 LYS A 65 13.130 -15.222 -15.310 1.00 51.41 H new ATOM 0 HG2 LYS A 65 13.338 -13.976 -13.190 1.00 55.54 H new ATOM 0 HG3 LYS A 65 12.998 -12.471 -14.022 1.00 55.54 H new ATOM 0 HD2 LYS A 65 11.075 -14.825 -14.045 1.00 33.11 H new ATOM 0 HD3 LYS A 65 11.028 -13.581 -12.812 1.00 33.11 H new ATOM 0 HE2 LYS A 65 10.877 -12.960 -15.786 1.00 65.33 H new ATOM 0 HE3 LYS A 65 9.455 -13.258 -14.805 1.00 65.33 H new ATOM 0 HZ1 LYS A 65 9.764 -10.941 -14.855 1.00 22.42 H new ATOM 0 HZ2 LYS A 65 10.284 -11.423 -13.312 1.00 22.42 H new ATOM 0 HZ3 LYS A 65 11.424 -11.055 -14.514 1.00 22.42 H new ATOM 990 N ILE A 66 15.479 -12.110 -14.086 1.00 73.04 N ATOM 991 CA ILE A 66 15.815 -10.744 -13.703 1.00 73.44 C ATOM 992 C ILE A 66 17.304 -10.473 -13.885 1.00 62.11 C ATOM 993 O ILE A 66 18.092 -10.618 -12.950 1.00 23.21 O ATOM 994 CB ILE A 66 15.427 -10.458 -12.241 1.00 30.44 C ATOM 995 CG1 ILE A 66 13.924 -10.664 -12.039 1.00 2.31 C ATOM 996 CG2 ILE A 66 15.831 -9.044 -11.853 1.00 14.34 C ATOM 997 CD1 ILE A 66 13.071 -9.687 -12.818 1.00 20.41 C ATOM 0 H ILE A 66 15.558 -12.792 -13.331 1.00 73.04 H new ATOM 0 HA ILE A 66 15.246 -10.083 -14.357 1.00 73.44 H new ATOM 0 HB ILE A 66 15.960 -11.157 -11.596 1.00 30.44 H new ATOM 0 HG12 ILE A 66 13.661 -11.680 -12.335 1.00 2.31 H new ATOM 0 HG13 ILE A 66 13.692 -10.571 -10.978 1.00 2.31 H new ATOM 0 HG21 ILE A 66 15.550 -8.857 -10.817 1.00 14.34 H new ATOM 0 HG22 ILE A 66 16.910 -8.931 -11.963 1.00 14.34 H new ATOM 0 HG23 ILE A 66 15.323 -8.330 -12.501 1.00 14.34 H new ATOM 0 HD11 ILE A 66 12.017 -9.891 -12.627 1.00 20.41 H new ATOM 0 HD12 ILE A 66 13.306 -8.669 -12.505 1.00 20.41 H new ATOM 0 HD13 ILE A 66 13.275 -9.795 -13.883 1.00 20.41 H new ATOM 1009 N THR A 67 17.685 -10.076 -15.096 1.00 34.33 N ATOM 1010 CA THR A 67 19.079 -9.784 -15.401 1.00 3.42 C ATOM 1011 C THR A 67 19.230 -8.390 -16.000 1.00 63.10 C ATOM 1012 O THR A 67 20.283 -8.044 -16.537 1.00 3.12 O ATOM 1013 CB THR A 67 19.669 -10.817 -16.379 1.00 23.23 C ATOM 1014 OG1 THR A 67 21.046 -10.519 -16.634 1.00 64.43 O ATOM 1015 CG2 THR A 67 18.896 -10.826 -17.688 1.00 74.24 C ATOM 0 H THR A 67 17.046 -9.950 -15.881 1.00 34.33 H new ATOM 0 HA THR A 67 19.625 -9.833 -14.459 1.00 3.42 H new ATOM 0 HB THR A 67 19.590 -11.804 -15.922 1.00 23.23 H new ATOM 0 HG1 THR A 67 21.152 -9.554 -16.769 1.00 64.43 H new ATOM 0 HG21 THR A 67 19.331 -11.563 -18.363 1.00 74.24 H new ATOM 0 HG22 THR A 67 17.854 -11.082 -17.494 1.00 74.24 H new ATOM 0 HG23 THR A 67 18.947 -9.839 -18.148 1.00 74.24 H new ATOM 1023 N THR A 68 18.171 -7.592 -15.905 1.00 3.01 N ATOM 1024 CA THR A 68 18.186 -6.236 -16.438 1.00 40.31 C ATOM 1025 C THR A 68 17.484 -5.266 -15.494 1.00 62.21 C ATOM 1026 O THR A 68 16.644 -5.667 -14.689 1.00 12.14 O ATOM 1027 CB THR A 68 17.510 -6.168 -17.821 1.00 22.14 C ATOM 1028 OG1 THR A 68 16.091 -6.291 -17.679 1.00 33.45 O ATOM 1029 CG2 THR A 68 18.031 -7.269 -18.732 1.00 23.10 C ATOM 0 H THR A 68 17.292 -7.862 -15.464 1.00 3.01 H new ATOM 0 HA THR A 68 19.232 -5.948 -16.539 1.00 40.31 H new ATOM 0 HB THR A 68 17.747 -5.204 -18.270 1.00 22.14 H new ATOM 0 HG1 THR A 68 15.669 -6.245 -18.562 1.00 33.45 H new ATOM 0 HG21 THR A 68 17.540 -7.201 -19.703 1.00 23.10 H new ATOM 0 HG22 THR A 68 19.107 -7.155 -18.861 1.00 23.10 H new ATOM 0 HG23 THR A 68 17.820 -8.241 -18.286 1.00 23.10 H new ATOM 1037 N VAL A 69 17.834 -3.988 -15.599 1.00 13.12 N ATOM 1038 CA VAL A 69 17.235 -2.960 -14.755 1.00 64.22 C ATOM 1039 C VAL A 69 15.715 -2.977 -14.863 1.00 52.13 C ATOM 1040 O VAL A 69 15.015 -3.169 -13.870 1.00 32.14 O ATOM 1041 CB VAL A 69 17.750 -1.557 -15.129 1.00 23.51 C ATOM 1042 CG1 VAL A 69 17.126 -0.502 -14.229 1.00 30.11 C ATOM 1043 CG2 VAL A 69 19.269 -1.509 -15.048 1.00 15.41 C ATOM 0 H VAL A 69 18.529 -3.640 -16.260 1.00 13.12 H new ATOM 0 HA VAL A 69 17.525 -3.184 -13.729 1.00 64.22 H new ATOM 0 HB VAL A 69 17.457 -1.342 -16.157 1.00 23.51 H new ATOM 0 HG11 VAL A 69 17.502 0.483 -14.508 1.00 30.11 H new ATOM 0 HG12 VAL A 69 16.042 -0.522 -14.342 1.00 30.11 H new ATOM 0 HG13 VAL A 69 17.387 -0.709 -13.191 1.00 30.11 H new ATOM 0 HG21 VAL A 69 19.616 -0.511 -15.315 1.00 15.41 H new ATOM 0 HG22 VAL A 69 19.587 -1.744 -14.032 1.00 15.41 H new ATOM 0 HG23 VAL A 69 19.693 -2.238 -15.739 1.00 15.41 H new ATOM 1053 N GLN A 70 15.211 -2.775 -16.077 1.00 1.14 N ATOM 1054 CA GLN A 70 13.772 -2.767 -16.314 1.00 45.32 C ATOM 1055 C GLN A 70 13.117 -4.012 -15.727 1.00 73.23 C ATOM 1056 O GLN A 70 12.026 -3.943 -15.161 1.00 62.22 O ATOM 1057 CB GLN A 70 13.482 -2.682 -17.814 1.00 5.43 C ATOM 1058 CG GLN A 70 12.019 -2.899 -18.164 1.00 22.14 C ATOM 1059 CD GLN A 70 11.079 -2.190 -17.209 1.00 42.41 C ATOM 1060 OE1 GLN A 70 10.088 -2.762 -16.756 1.00 31.24 O ATOM 1061 NE2 GLN A 70 11.386 -0.936 -16.898 1.00 40.42 N ATOM 0 H GLN A 70 15.777 -2.615 -16.910 1.00 1.14 H new ATOM 0 HA GLN A 70 13.352 -1.891 -15.820 1.00 45.32 H new ATOM 0 HB2 GLN A 70 13.794 -1.704 -18.181 1.00 5.43 H new ATOM 0 HB3 GLN A 70 14.086 -3.425 -18.335 1.00 5.43 H new ATOM 0 HG2 GLN A 70 11.836 -2.545 -19.178 1.00 22.14 H new ATOM 0 HG3 GLN A 70 11.802 -3.967 -18.155 1.00 22.14 H new ATOM 0 HE21 GLN A 70 12.218 -0.501 -17.297 1.00 40.42 H new ATOM 0 HE22 GLN A 70 10.790 -0.408 -16.260 1.00 40.42 H new ATOM 1070 N ALA A 71 13.789 -5.150 -15.867 1.00 33.31 N ATOM 1071 CA ALA A 71 13.272 -6.411 -15.349 1.00 71.01 C ATOM 1072 C ALA A 71 13.206 -6.393 -13.826 1.00 23.23 C ATOM 1073 O ALA A 71 12.203 -6.789 -13.234 1.00 13.34 O ATOM 1074 CB ALA A 71 14.132 -7.571 -15.829 1.00 1.23 C ATOM 0 H ALA A 71 14.692 -5.225 -16.335 1.00 33.31 H new ATOM 0 HA ALA A 71 12.259 -6.543 -15.728 1.00 71.01 H new ATOM 0 HB1 ALA A 71 13.734 -8.506 -15.435 1.00 1.23 H new ATOM 0 HB2 ALA A 71 14.123 -7.604 -16.918 1.00 1.23 H new ATOM 0 HB3 ALA A 71 15.155 -7.435 -15.478 1.00 1.23 H new ATOM 1080 N ALA A 72 14.283 -5.932 -13.197 1.00 72.51 N ATOM 1081 CA ALA A 72 14.346 -5.862 -11.743 1.00 24.15 C ATOM 1082 C ALA A 72 13.323 -4.873 -11.196 1.00 2.45 C ATOM 1083 O ALA A 72 12.516 -5.215 -10.331 1.00 1.54 O ATOM 1084 CB ALA A 72 15.748 -5.477 -11.294 1.00 22.15 C ATOM 0 H ALA A 72 15.123 -5.602 -13.672 1.00 72.51 H new ATOM 0 HA ALA A 72 14.107 -6.848 -11.346 1.00 24.15 H new ATOM 0 HB1 ALA A 72 15.781 -5.428 -10.206 1.00 22.15 H new ATOM 0 HB2 ALA A 72 16.460 -6.223 -11.646 1.00 22.15 H new ATOM 0 HB3 ALA A 72 16.008 -4.503 -11.709 1.00 22.15 H new ATOM 1090 N ILE A 73 13.363 -3.646 -11.704 1.00 51.23 N ATOM 1091 CA ILE A 73 12.438 -2.607 -11.266 1.00 65.42 C ATOM 1092 C ILE A 73 10.990 -3.039 -11.471 1.00 2.24 C ATOM 1093 O ILE A 73 10.109 -2.684 -10.687 1.00 45.20 O ATOM 1094 CB ILE A 73 12.679 -1.285 -12.018 1.00 65.34 C ATOM 1095 CG1 ILE A 73 11.862 -0.157 -11.386 1.00 71.10 C ATOM 1096 CG2 ILE A 73 12.327 -1.441 -13.490 1.00 62.42 C ATOM 1097 CD1 ILE A 73 12.608 0.601 -10.310 1.00 65.45 C ATOM 0 H ILE A 73 14.026 -3.347 -12.419 1.00 51.23 H new ATOM 0 HA ILE A 73 12.621 -2.449 -10.203 1.00 65.42 H new ATOM 0 HB ILE A 73 13.736 -1.029 -11.942 1.00 65.34 H new ATOM 0 HG12 ILE A 73 11.558 0.541 -12.166 1.00 71.10 H new ATOM 0 HG13 ILE A 73 10.950 -0.575 -10.959 1.00 71.10 H new ATOM 0 HG21 ILE A 73 12.503 -0.498 -14.008 1.00 62.42 H new ATOM 0 HG22 ILE A 73 12.949 -2.219 -13.932 1.00 62.42 H new ATOM 0 HG23 ILE A 73 11.277 -1.717 -13.586 1.00 62.42 H new ATOM 0 HD11 ILE A 73 11.967 1.385 -9.907 1.00 65.45 H new ATOM 0 HD12 ILE A 73 12.889 -0.084 -9.510 1.00 65.45 H new ATOM 0 HD13 ILE A 73 13.506 1.049 -10.736 1.00 65.45 H new ATOM 1109 N ASP A 74 10.751 -3.808 -12.527 1.00 44.32 N ATOM 1110 CA ASP A 74 9.410 -4.291 -12.834 1.00 10.13 C ATOM 1111 C ASP A 74 8.950 -5.312 -11.797 1.00 41.54 C ATOM 1112 O ASP A 74 7.809 -5.272 -11.336 1.00 62.12 O ATOM 1113 CB ASP A 74 9.376 -4.913 -14.231 1.00 14.14 C ATOM 1114 CG ASP A 74 7.974 -5.307 -14.655 1.00 3.53 C ATOM 1115 OD1 ASP A 74 7.085 -4.430 -14.651 1.00 53.34 O ATOM 1116 OD2 ASP A 74 7.767 -6.491 -14.991 1.00 24.13 O ATOM 0 H ASP A 74 11.469 -4.111 -13.185 1.00 44.32 H new ATOM 0 HA ASP A 74 8.729 -3.440 -12.807 1.00 10.13 H new ATOM 0 HB2 ASP A 74 9.785 -4.204 -14.951 1.00 14.14 H new ATOM 0 HB3 ASP A 74 10.019 -5.793 -14.250 1.00 14.14 H new ATOM 1121 N TYR A 75 9.845 -6.225 -11.437 1.00 13.23 N ATOM 1122 CA TYR A 75 9.530 -7.258 -10.458 1.00 32.33 C ATOM 1123 C TYR A 75 9.169 -6.640 -9.110 1.00 73.53 C ATOM 1124 O TYR A 75 8.061 -6.825 -8.606 1.00 71.40 O ATOM 1125 CB TYR A 75 10.714 -8.212 -10.293 1.00 22.11 C ATOM 1126 CG TYR A 75 10.350 -9.520 -9.628 1.00 21.40 C ATOM 1127 CD1 TYR A 75 9.899 -9.553 -8.314 1.00 52.04 C ATOM 1128 CD2 TYR A 75 10.457 -10.724 -10.314 1.00 73.01 C ATOM 1129 CE1 TYR A 75 9.566 -10.746 -7.703 1.00 31.11 C ATOM 1130 CE2 TYR A 75 10.125 -11.922 -9.711 1.00 54.20 C ATOM 1131 CZ TYR A 75 9.680 -11.928 -8.405 1.00 42.33 C ATOM 1132 OH TYR A 75 9.348 -13.118 -7.800 1.00 63.11 O ATOM 0 H TYR A 75 10.794 -6.271 -11.808 1.00 13.23 H new ATOM 0 HA TYR A 75 8.669 -7.818 -10.823 1.00 32.33 H new ATOM 0 HB2 TYR A 75 11.142 -8.420 -11.274 1.00 22.11 H new ATOM 0 HB3 TYR A 75 11.488 -7.719 -9.705 1.00 22.11 H new ATOM 0 HD1 TYR A 75 9.807 -8.630 -7.761 1.00 52.04 H new ATOM 0 HD2 TYR A 75 10.806 -10.723 -11.336 1.00 73.01 H new ATOM 0 HE1 TYR A 75 9.218 -10.753 -6.681 1.00 31.11 H new ATOM 0 HE2 TYR A 75 10.213 -12.849 -10.259 1.00 54.20 H new ATOM 0 HH TYR A 75 8.584 -12.979 -7.203 1.00 63.11 H new ATOM 1142 N VAL A 76 10.113 -5.904 -8.532 1.00 74.51 N ATOM 1143 CA VAL A 76 9.895 -5.257 -7.244 1.00 43.21 C ATOM 1144 C VAL A 76 8.624 -4.416 -7.259 1.00 74.22 C ATOM 1145 O VAL A 76 7.792 -4.515 -6.358 1.00 52.43 O ATOM 1146 CB VAL A 76 11.086 -4.359 -6.859 1.00 63.21 C ATOM 1147 CG1 VAL A 76 10.832 -3.678 -5.523 1.00 60.20 C ATOM 1148 CG2 VAL A 76 12.373 -5.170 -6.817 1.00 74.42 C ATOM 0 H VAL A 76 11.036 -5.741 -8.935 1.00 74.51 H new ATOM 0 HA VAL A 76 9.793 -6.051 -6.504 1.00 43.21 H new ATOM 0 HB VAL A 76 11.195 -3.585 -7.619 1.00 63.21 H new ATOM 0 HG11 VAL A 76 11.684 -3.048 -5.268 1.00 60.20 H new ATOM 0 HG12 VAL A 76 9.934 -3.064 -5.593 1.00 60.20 H new ATOM 0 HG13 VAL A 76 10.695 -4.434 -4.750 1.00 60.20 H new ATOM 0 HG21 VAL A 76 13.204 -4.520 -6.543 1.00 74.42 H new ATOM 0 HG22 VAL A 76 12.277 -5.966 -6.079 1.00 74.42 H new ATOM 0 HG23 VAL A 76 12.561 -5.605 -7.798 1.00 74.42 H new ATOM 1158 N ASN A 77 8.480 -3.590 -8.290 1.00 15.51 N ATOM 1159 CA ASN A 77 7.308 -2.731 -8.423 1.00 3.30 C ATOM 1160 C ASN A 77 6.045 -3.561 -8.626 1.00 71.44 C ATOM 1161 O ASN A 77 4.940 -3.117 -8.314 1.00 24.04 O ATOM 1162 CB ASN A 77 7.490 -1.763 -9.594 1.00 60.01 C ATOM 1163 CG ASN A 77 6.586 -0.550 -9.487 1.00 45.22 C ATOM 1164 OD1 ASN A 77 5.383 -0.635 -9.732 1.00 50.20 O ATOM 1165 ND2 ASN A 77 7.165 0.588 -9.120 1.00 72.13 N ATOM 0 H ASN A 77 9.159 -3.497 -9.045 1.00 15.51 H new ATOM 0 HA ASN A 77 7.201 -2.160 -7.501 1.00 3.30 H new ATOM 0 HB2 ASN A 77 8.529 -1.436 -9.633 1.00 60.01 H new ATOM 0 HB3 ASN A 77 7.284 -2.285 -10.529 1.00 60.01 H new ATOM 0 HD21 ASN A 77 6.608 1.438 -9.031 1.00 72.13 H new ATOM 0 HD22 ASN A 77 8.166 0.612 -8.927 1.00 72.13 H new ATOM 1172 N SER A 78 6.216 -4.770 -9.152 1.00 63.11 N ATOM 1173 CA SER A 78 5.090 -5.662 -9.401 1.00 30.45 C ATOM 1174 C SER A 78 4.632 -6.331 -8.108 1.00 74.32 C ATOM 1175 O SER A 78 3.435 -6.423 -7.833 1.00 53.34 O ATOM 1176 CB SER A 78 5.473 -6.726 -10.431 1.00 74.40 C ATOM 1177 OG SER A 78 4.763 -7.932 -10.206 1.00 64.52 O ATOM 0 H SER A 78 7.124 -5.154 -9.414 1.00 63.11 H new ATOM 0 HA SER A 78 4.266 -5.067 -9.794 1.00 30.45 H new ATOM 0 HB2 SER A 78 5.262 -6.358 -11.435 1.00 74.40 H new ATOM 0 HB3 SER A 78 6.545 -6.916 -10.380 1.00 74.40 H new ATOM 0 HG SER A 78 5.235 -8.469 -9.536 1.00 64.52 H new ATOM 1183 N HIS A 79 5.593 -6.798 -7.318 1.00 31.24 N ATOM 1184 CA HIS A 79 5.289 -7.459 -6.053 1.00 43.22 C ATOM 1185 C HIS A 79 5.061 -6.434 -4.946 1.00 21.20 C ATOM 1186 O HIS A 79 5.733 -6.461 -3.915 1.00 72.42 O ATOM 1187 CB HIS A 79 6.425 -8.405 -5.662 1.00 40.13 C ATOM 1188 CG HIS A 79 6.479 -9.651 -6.492 1.00 11.24 C ATOM 1189 ND1 HIS A 79 6.333 -9.649 -7.863 1.00 34.12 N ATOM 1190 CD2 HIS A 79 6.666 -10.943 -6.136 1.00 62.53 C ATOM 1191 CE1 HIS A 79 6.426 -10.887 -8.315 1.00 12.02 C ATOM 1192 NE2 HIS A 79 6.629 -11.692 -7.287 1.00 53.42 N ATOM 0 H HIS A 79 6.588 -6.731 -7.531 1.00 31.24 H new ATOM 0 HA HIS A 79 4.374 -8.037 -6.184 1.00 43.22 H new ATOM 0 HB2 HIS A 79 7.374 -7.877 -5.752 1.00 40.13 H new ATOM 0 HB3 HIS A 79 6.312 -8.681 -4.614 1.00 40.13 H new ATOM 0 HD2 HIS A 79 6.816 -11.316 -5.134 1.00 62.53 H new ATOM 0 HE1 HIS A 79 6.349 -11.190 -9.349 1.00 12.02 H new ATOM 0 HE2 HIS A 79 6.740 -12.705 -7.340 1.00 53.42 H new ATOM 1200 N GLN A 80 4.110 -5.532 -5.168 1.00 22.43 N ATOM 1201 CA GLN A 80 3.795 -4.499 -4.189 1.00 4.51 C ATOM 1202 C GLN A 80 3.544 -5.109 -2.814 1.00 2.10 C ATOM 1203 O GLN A 80 2.923 -6.166 -2.696 1.00 54.44 O ATOM 1204 CB GLN A 80 2.571 -3.699 -4.636 1.00 53.24 C ATOM 1205 CG GLN A 80 2.715 -3.090 -6.022 1.00 75.41 C ATOM 1206 CD GLN A 80 3.030 -1.608 -5.979 1.00 35.11 C ATOM 1207 OE1 GLN A 80 2.207 -0.775 -6.361 1.00 71.52 O ATOM 1208 NE2 GLN A 80 4.226 -1.270 -5.511 1.00 74.25 N ATOM 0 H GLN A 80 3.545 -5.496 -6.016 1.00 22.43 H new ATOM 0 HA GLN A 80 4.652 -3.829 -4.118 1.00 4.51 H new ATOM 0 HB2 GLN A 80 1.697 -4.350 -4.623 1.00 53.24 H new ATOM 0 HB3 GLN A 80 2.385 -2.902 -3.916 1.00 53.24 H new ATOM 0 HG2 GLN A 80 3.506 -3.610 -6.563 1.00 75.41 H new ATOM 0 HG3 GLN A 80 1.792 -3.245 -6.580 1.00 75.41 H new ATOM 0 HE21 GLN A 80 4.877 -1.993 -5.205 1.00 74.25 H new ATOM 0 HE22 GLN A 80 4.494 -0.287 -5.457 1.00 74.25 H new