USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 823 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 18 ASN : amide:sc= -0.99 X(o=-1.1,f=-0.76) USER MOD Set 1.2: A 99 THR OG1 : rot -63:sc= -0.0981 USER MOD Set 2.1: A 56 THR OG1 : rot 157:sc= -1.39 USER MOD Set 2.2: A 59 GLN :FLIP amide:sc= -1.03 F(o=-3.4,f=-2.4) USER MOD Set 3.1: A 34 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Set 3.2: A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -177:sc= -0.115 USER MOD Single : A 17 SER OG : rot 81:sc= 0.149 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.54 X(o=-2.5,f=-2.8) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 15:sc= 1.2 USER MOD Single : A 65 CYS SG : rot -20:sc= 0.574 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -0.0243 (180deg=-0.205) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -178:sc= -0.617 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 75:sc= 0.421 USER MOD Single : A 88 LYS NZ :NH3+ -172:sc= -0.574 (180deg=-0.788) USER MOD Single : A 97 ASN : amide:sc= -0.0639 X(o=-0.064,f=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 108 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.2!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N LEU A 4 5.421 2.564 -3.795 1.00 42.10 N ATOM 23 CA LEU A 4 6.177 2.462 -5.039 1.00 13.22 C ATOM 24 C LEU A 4 6.754 1.061 -5.212 1.00 74.12 C ATOM 25 O LEU A 4 7.872 0.894 -5.699 1.00 23.13 O ATOM 26 CB LEU A 4 7.304 3.496 -5.060 1.00 53.31 C ATOM 27 CG LEU A 4 7.545 4.199 -6.397 1.00 14.04 C ATOM 28 CD1 LEU A 4 7.989 3.199 -7.453 1.00 11.21 C ATOM 29 CD2 LEU A 4 6.290 4.932 -6.848 1.00 34.03 C ATOM 0 HA LEU A 4 5.496 2.659 -5.867 1.00 13.22 H new ATOM 0 HB2 LEU A 4 7.088 4.254 -4.307 1.00 53.31 H new ATOM 0 HB3 LEU A 4 8.228 3.003 -4.760 1.00 53.31 H new ATOM 0 HG LEU A 4 8.341 4.932 -6.262 1.00 14.04 H new ATOM 0 HD11 LEU A 4 8.156 3.717 -8.397 1.00 11.21 H new ATOM 0 HD12 LEU A 4 8.914 2.720 -7.134 1.00 11.21 H new ATOM 0 HD13 LEU A 4 7.216 2.443 -7.586 1.00 11.21 H new ATOM 0 HD21 LEU A 4 6.480 5.426 -7.801 1.00 34.03 H new ATOM 0 HD22 LEU A 4 5.474 4.219 -6.966 1.00 34.03 H new ATOM 0 HD23 LEU A 4 6.016 5.677 -6.101 1.00 34.03 H new ATOM 41 N LYS A 5 5.982 0.056 -4.813 1.00 61.51 N ATOM 42 CA LYS A 5 6.414 -1.333 -4.927 1.00 15.40 C ATOM 43 C LYS A 5 6.881 -1.643 -6.346 1.00 15.44 C ATOM 44 O LYS A 5 6.133 -1.466 -7.308 1.00 3.23 O ATOM 45 CB LYS A 5 5.274 -2.276 -4.536 1.00 72.23 C ATOM 46 CG LYS A 5 5.749 -3.620 -4.012 1.00 63.11 C ATOM 47 CD LYS A 5 4.773 -4.202 -3.004 1.00 22.34 C ATOM 48 CE LYS A 5 5.142 -5.630 -2.632 1.00 32.44 C ATOM 49 NZ LYS A 5 3.963 -6.539 -2.686 1.00 25.42 N ATOM 0 H LYS A 5 5.054 0.177 -4.408 1.00 61.51 H new ATOM 0 HA LYS A 5 7.252 -1.484 -4.247 1.00 15.40 H new ATOM 0 HB2 LYS A 5 4.661 -1.795 -3.774 1.00 72.23 H new ATOM 0 HB3 LYS A 5 4.635 -2.439 -5.404 1.00 72.23 H new ATOM 0 HG2 LYS A 5 5.871 -4.313 -4.844 1.00 63.11 H new ATOM 0 HG3 LYS A 5 6.728 -3.505 -3.547 1.00 63.11 H new ATOM 0 HD2 LYS A 5 4.762 -3.583 -2.107 1.00 22.34 H new ATOM 0 HD3 LYS A 5 3.765 -4.182 -3.418 1.00 22.34 H new ATOM 0 HE2 LYS A 5 5.913 -5.995 -3.311 1.00 32.44 H new ATOM 0 HE3 LYS A 5 5.567 -5.646 -1.628 1.00 32.44 H new ATOM 0 HZ1 LYS A 5 4.255 -7.503 -2.426 1.00 25.42 H new ATOM 0 HZ2 LYS A 5 3.237 -6.206 -2.020 1.00 25.42 H new ATOM 0 HZ3 LYS A 5 3.572 -6.544 -3.650 1.00 25.42 H new ATOM 63 N SER A 6 8.120 -2.107 -6.468 1.00 0.14 N ATOM 64 CA SER A 6 8.687 -2.439 -7.769 1.00 61.42 C ATOM 65 C SER A 6 7.798 -3.432 -8.512 1.00 33.23 C ATOM 66 O SER A 6 7.794 -3.479 -9.742 1.00 30.51 O ATOM 67 CB SER A 6 10.092 -3.021 -7.603 1.00 63.24 C ATOM 68 OG SER A 6 10.061 -4.438 -7.606 1.00 3.12 O ATOM 0 H SER A 6 8.751 -2.262 -5.681 1.00 0.14 H new ATOM 0 HA SER A 6 8.748 -1.522 -8.356 1.00 61.42 H new ATOM 0 HB2 SER A 6 10.733 -2.667 -8.410 1.00 63.24 H new ATOM 0 HB3 SER A 6 10.528 -2.666 -6.669 1.00 63.24 H new ATOM 0 HG SER A 6 10.971 -4.785 -7.500 1.00 3.12 H new ATOM 74 N ARG A 7 7.045 -4.224 -7.755 1.00 1.34 N ATOM 75 CA ARG A 7 6.152 -5.217 -8.339 1.00 41.24 C ATOM 76 C ARG A 7 4.886 -4.558 -8.880 1.00 22.30 C ATOM 77 O ARG A 7 4.652 -4.540 -10.088 1.00 53.34 O ATOM 78 CB ARG A 7 5.784 -6.278 -7.301 1.00 3.35 C ATOM 79 CG ARG A 7 6.141 -7.694 -7.723 1.00 54.53 C ATOM 80 CD ARG A 7 5.306 -8.147 -8.911 1.00 20.01 C ATOM 81 NE ARG A 7 4.661 -9.434 -8.667 1.00 22.51 N ATOM 82 CZ ARG A 7 5.311 -10.593 -8.664 1.00 71.15 C ATOM 83 NH1 ARG A 7 6.617 -10.625 -8.891 1.00 72.13 N ATOM 84 NH2 ARG A 7 4.654 -11.723 -8.434 1.00 42.13 N ATOM 0 H ARG A 7 7.036 -4.197 -6.735 1.00 1.34 H new ATOM 0 HA ARG A 7 6.674 -5.696 -9.167 1.00 41.24 H new ATOM 0 HB2 ARG A 7 6.291 -6.049 -6.364 1.00 3.35 H new ATOM 0 HB3 ARG A 7 4.713 -6.226 -7.105 1.00 3.35 H new ATOM 0 HG2 ARG A 7 7.199 -7.743 -7.981 1.00 54.53 H new ATOM 0 HG3 ARG A 7 5.985 -8.375 -6.886 1.00 54.53 H new ATOM 0 HD2 ARG A 7 4.546 -7.396 -9.128 1.00 20.01 H new ATOM 0 HD3 ARG A 7 5.941 -8.221 -9.793 1.00 20.01 H new ATOM 0 HE ARG A 7 3.657 -9.444 -8.489 1.00 22.51 H new ATOM 0 HH11 ARG A 7 7.125 -9.759 -9.068 1.00 72.13 H new ATOM 0 HH12 ARG A 7 7.113 -11.516 -8.888 1.00 72.13 H new ATOM 0 HH21 ARG A 7 3.649 -11.702 -8.259 1.00 42.13 H new ATOM 0 HH22 ARG A 7 5.154 -12.612 -8.432 1.00 42.13 H new ATOM 98 N ASP A 8 4.074 -4.020 -7.977 1.00 40.11 N ATOM 99 CA ASP A 8 2.832 -3.360 -8.363 1.00 1.12 C ATOM 100 C ASP A 8 3.098 -2.252 -9.377 1.00 71.25 C ATOM 101 O ASP A 8 2.224 -1.901 -10.170 1.00 42.23 O ATOM 102 CB ASP A 8 2.132 -2.783 -7.131 1.00 62.32 C ATOM 103 CG ASP A 8 0.824 -3.487 -6.826 1.00 45.11 C ATOM 104 OD1 ASP A 8 0.578 -3.794 -5.641 1.00 21.23 O ATOM 105 OD2 ASP A 8 0.047 -3.730 -7.772 1.00 51.54 O ATOM 0 H ASP A 8 4.253 -4.028 -6.973 1.00 40.11 H new ATOM 0 HA ASP A 8 2.183 -4.103 -8.826 1.00 1.12 H new ATOM 0 HB2 ASP A 8 2.794 -2.864 -6.269 1.00 62.32 H new ATOM 0 HB3 ASP A 8 1.942 -1.721 -7.289 1.00 62.32 H new ATOM 110 N TRP A 9 4.308 -1.706 -9.346 1.00 30.13 N ATOM 111 CA TRP A 9 4.688 -0.637 -10.262 1.00 41.02 C ATOM 112 C TRP A 9 4.985 -1.191 -11.651 1.00 44.22 C ATOM 113 O TRP A 9 4.254 -0.927 -12.606 1.00 35.24 O ATOM 114 CB TRP A 9 5.909 0.112 -9.726 1.00 63.01 C ATOM 115 CG TRP A 9 6.417 1.167 -10.662 1.00 31.01 C ATOM 116 CD1 TRP A 9 7.690 1.296 -11.138 1.00 63.04 C ATOM 117 CD2 TRP A 9 5.662 2.242 -11.232 1.00 62.33 C ATOM 118 NE1 TRP A 9 7.773 2.386 -11.971 1.00 14.23 N ATOM 119 CE2 TRP A 9 6.542 2.983 -12.046 1.00 32.34 C ATOM 120 CE3 TRP A 9 4.329 2.649 -11.137 1.00 31.21 C ATOM 121 CZ2 TRP A 9 6.129 4.107 -12.756 1.00 64.32 C ATOM 122 CZ3 TRP A 9 3.921 3.765 -11.843 1.00 21.24 C ATOM 123 CH2 TRP A 9 4.818 4.483 -12.644 1.00 64.13 C ATOM 0 H TRP A 9 5.043 -1.986 -8.696 1.00 30.13 H new ATOM 0 HA TRP A 9 3.851 0.057 -10.339 1.00 41.02 H new ATOM 0 HB2 TRP A 9 5.653 0.575 -8.773 1.00 63.01 H new ATOM 0 HB3 TRP A 9 6.707 -0.603 -9.529 1.00 63.01 H new ATOM 0 HD1 TRP A 9 8.511 0.638 -10.896 1.00 63.04 H new ATOM 0 HE1 TRP A 9 8.614 2.700 -12.455 1.00 14.23 H new ATOM 0 HE3 TRP A 9 3.630 2.101 -10.523 1.00 31.21 H new ATOM 0 HZ2 TRP A 9 6.819 4.663 -13.374 1.00 64.32 H new ATOM 0 HZ3 TRP A 9 2.893 4.089 -11.776 1.00 21.24 H new ATOM 0 HH2 TRP A 9 4.468 5.350 -13.184 1.00 64.13 H new ATOM 134 N LYS A 10 6.063 -1.960 -11.759 1.00 5.04 N ATOM 135 CA LYS A 10 6.457 -2.553 -13.031 1.00 43.01 C ATOM 136 C LYS A 10 5.312 -3.361 -13.632 1.00 71.23 C ATOM 137 O LYS A 10 5.191 -3.471 -14.852 1.00 61.11 O ATOM 138 CB LYS A 10 7.684 -3.449 -12.842 1.00 15.20 C ATOM 139 CG LYS A 10 8.181 -4.079 -14.131 1.00 43.34 C ATOM 140 CD LYS A 10 9.699 -4.152 -14.167 1.00 34.03 C ATOM 141 CE LYS A 10 10.209 -5.438 -13.535 1.00 3.10 C ATOM 142 NZ LYS A 10 11.685 -5.410 -13.335 1.00 13.31 N ATOM 0 H LYS A 10 6.680 -2.187 -10.979 1.00 5.04 H new ATOM 0 HA LYS A 10 6.708 -1.745 -13.718 1.00 43.01 H new ATOM 0 HB2 LYS A 10 8.489 -2.861 -12.401 1.00 15.20 H new ATOM 0 HB3 LYS A 10 7.441 -4.239 -12.132 1.00 15.20 H new ATOM 0 HG2 LYS A 10 7.765 -5.082 -14.231 1.00 43.34 H new ATOM 0 HG3 LYS A 10 7.823 -3.499 -14.982 1.00 43.34 H new ATOM 0 HD2 LYS A 10 10.043 -4.091 -15.199 1.00 34.03 H new ATOM 0 HD3 LYS A 10 10.118 -3.295 -13.640 1.00 34.03 H new ATOM 0 HE2 LYS A 10 9.715 -5.592 -12.575 1.00 3.10 H new ATOM 0 HE3 LYS A 10 9.944 -6.284 -14.169 1.00 3.10 H new ATOM 0 HZ1 LYS A 10 11.994 -6.304 -12.902 1.00 13.31 H new ATOM 0 HZ2 LYS A 10 12.158 -5.289 -14.253 1.00 13.31 H new ATOM 0 HZ3 LYS A 10 11.936 -4.618 -12.709 1.00 13.31 H new ATOM 156 N MET A 11 4.473 -3.924 -12.768 1.00 42.43 N ATOM 157 CA MET A 11 3.336 -4.719 -13.215 1.00 71.45 C ATOM 158 C MET A 11 2.230 -3.825 -13.767 1.00 30.21 C ATOM 159 O MET A 11 1.872 -3.917 -14.941 1.00 30.43 O ATOM 160 CB MET A 11 2.795 -5.568 -12.063 1.00 11.52 C ATOM 161 CG MET A 11 1.719 -6.554 -12.487 1.00 64.41 C ATOM 162 SD MET A 11 2.395 -8.160 -12.954 1.00 11.31 S ATOM 163 CE MET A 11 1.171 -9.260 -12.247 1.00 25.41 C ATOM 0 H MET A 11 4.560 -3.844 -11.755 1.00 42.43 H new ATOM 0 HA MET A 11 3.677 -5.378 -14.013 1.00 71.45 H new ATOM 0 HB2 MET A 11 3.620 -6.117 -11.608 1.00 11.52 H new ATOM 0 HB3 MET A 11 2.390 -4.908 -11.296 1.00 11.52 H new ATOM 0 HG2 MET A 11 1.010 -6.686 -11.670 1.00 64.41 H new ATOM 0 HG3 MET A 11 1.163 -6.140 -13.328 1.00 64.41 H new ATOM 0 HE1 MET A 11 1.449 -10.294 -12.452 1.00 25.41 H new ATOM 0 HE2 MET A 11 1.121 -9.105 -11.169 1.00 25.41 H new ATOM 0 HE3 MET A 11 0.196 -9.052 -12.689 1.00 25.41 H new ATOM 173 N ALA A 12 1.693 -2.961 -12.912 1.00 54.13 N ATOM 174 CA ALA A 12 0.629 -2.049 -13.315 1.00 71.41 C ATOM 175 C ALA A 12 1.012 -1.280 -14.575 1.00 25.51 C ATOM 176 O ALA A 12 0.178 -1.048 -15.450 1.00 14.14 O ATOM 177 CB ALA A 12 0.304 -1.085 -12.184 1.00 51.21 C ATOM 0 H ALA A 12 1.977 -2.873 -11.936 1.00 54.13 H new ATOM 0 HA ALA A 12 -0.258 -2.642 -13.539 1.00 71.41 H new ATOM 0 HB1 ALA A 12 -0.492 -0.410 -12.499 1.00 51.21 H new ATOM 0 HB2 ALA A 12 -0.022 -1.647 -11.309 1.00 51.21 H new ATOM 0 HB3 ALA A 12 1.193 -0.506 -11.933 1.00 51.21 H new ATOM 183 N ILE A 13 2.279 -0.888 -14.660 1.00 61.12 N ATOM 184 CA ILE A 13 2.772 -0.146 -15.814 1.00 2.34 C ATOM 185 C ILE A 13 2.938 -1.058 -17.025 1.00 14.54 C ATOM 186 O ILE A 13 2.746 -0.635 -18.165 1.00 43.10 O ATOM 187 CB ILE A 13 4.120 0.536 -15.510 1.00 73.33 C ATOM 188 CG1 ILE A 13 3.958 1.552 -14.378 1.00 45.32 C ATOM 189 CG2 ILE A 13 4.666 1.209 -16.760 1.00 51.04 C ATOM 190 CD1 ILE A 13 3.053 2.711 -14.731 1.00 52.33 C ATOM 0 H ILE A 13 2.982 -1.072 -13.944 1.00 61.12 H new ATOM 0 HA ILE A 13 2.029 0.619 -16.038 1.00 2.34 H new ATOM 0 HB ILE A 13 4.832 -0.225 -15.190 1.00 73.33 H new ATOM 0 HG12 ILE A 13 3.559 1.045 -13.500 1.00 45.32 H new ATOM 0 HG13 ILE A 13 4.940 1.938 -14.104 1.00 45.32 H new ATOM 0 HG21 ILE A 13 5.618 1.686 -16.530 1.00 51.04 H new ATOM 0 HG22 ILE A 13 4.814 0.462 -17.540 1.00 51.04 H new ATOM 0 HG23 ILE A 13 3.958 1.961 -17.107 1.00 51.04 H new ATOM 0 HD11 ILE A 13 2.985 3.391 -13.882 1.00 52.33 H new ATOM 0 HD12 ILE A 13 3.462 3.243 -15.590 1.00 52.33 H new ATOM 0 HD13 ILE A 13 2.060 2.335 -14.976 1.00 52.33 H new ATOM 202 N LYS A 14 3.293 -2.312 -16.769 1.00 72.24 N ATOM 203 CA LYS A 14 3.481 -3.287 -17.837 1.00 43.13 C ATOM 204 C LYS A 14 2.165 -3.570 -18.554 1.00 32.43 C ATOM 205 O LYS A 14 2.151 -3.900 -19.740 1.00 3.21 O ATOM 206 CB LYS A 14 4.057 -4.587 -17.273 1.00 24.40 C ATOM 207 CG LYS A 14 4.074 -5.730 -18.274 1.00 31.04 C ATOM 208 CD LYS A 14 5.116 -6.774 -17.911 1.00 25.14 C ATOM 209 CE LYS A 14 4.827 -8.108 -18.582 1.00 41.23 C ATOM 210 NZ LYS A 14 5.702 -8.334 -19.766 1.00 55.22 N ATOM 0 H LYS A 14 3.456 -2.678 -15.831 1.00 72.24 H new ATOM 0 HA LYS A 14 4.184 -2.868 -18.557 1.00 43.13 H new ATOM 0 HB2 LYS A 14 5.074 -4.404 -16.926 1.00 24.40 H new ATOM 0 HB3 LYS A 14 3.473 -4.886 -16.403 1.00 24.40 H new ATOM 0 HG2 LYS A 14 3.089 -6.196 -18.312 1.00 31.04 H new ATOM 0 HG3 LYS A 14 4.281 -5.339 -19.270 1.00 31.04 H new ATOM 0 HD2 LYS A 14 6.104 -6.422 -18.209 1.00 25.14 H new ATOM 0 HD3 LYS A 14 5.138 -6.907 -16.829 1.00 25.14 H new ATOM 0 HE2 LYS A 14 4.972 -8.915 -17.864 1.00 41.23 H new ATOM 0 HE3 LYS A 14 3.782 -8.140 -18.891 1.00 41.23 H new ATOM 0 HZ1 LYS A 14 5.474 -9.253 -20.195 1.00 55.22 H new ATOM 0 HZ2 LYS A 14 5.545 -7.578 -20.463 1.00 55.22 H new ATOM 0 HZ3 LYS A 14 6.698 -8.329 -19.468 1.00 55.22 H new ATOM 224 N ARG A 15 1.060 -3.439 -17.826 1.00 43.14 N ATOM 225 CA ARG A 15 -0.261 -3.681 -18.393 1.00 40.12 C ATOM 226 C ARG A 15 -0.928 -2.369 -18.797 1.00 62.11 C ATOM 227 O ARG A 15 -1.710 -2.326 -19.747 1.00 53.12 O ATOM 228 CB ARG A 15 -1.142 -4.425 -17.388 1.00 51.10 C ATOM 229 CG ARG A 15 -1.509 -5.834 -17.825 1.00 41.43 C ATOM 230 CD ARG A 15 -0.433 -6.835 -17.437 1.00 21.54 C ATOM 231 NE ARG A 15 -0.796 -8.200 -17.809 1.00 22.33 N ATOM 232 CZ ARG A 15 -0.002 -9.249 -17.622 1.00 45.45 C ATOM 233 NH1 ARG A 15 1.194 -9.089 -17.071 1.00 72.34 N ATOM 234 NH2 ARG A 15 -0.403 -10.460 -17.987 1.00 42.43 N ATOM 0 H ARG A 15 1.054 -3.167 -16.843 1.00 43.14 H new ATOM 0 HA ARG A 15 -0.139 -4.296 -19.284 1.00 40.12 H new ATOM 0 HB2 ARG A 15 -0.624 -4.474 -16.430 1.00 51.10 H new ATOM 0 HB3 ARG A 15 -2.056 -3.854 -17.227 1.00 51.10 H new ATOM 0 HG2 ARG A 15 -2.457 -6.122 -17.370 1.00 41.43 H new ATOM 0 HG3 ARG A 15 -1.655 -5.855 -18.905 1.00 41.43 H new ATOM 0 HD2 ARG A 15 0.505 -6.565 -17.921 1.00 21.54 H new ATOM 0 HD3 ARG A 15 -0.263 -6.785 -16.362 1.00 21.54 H new ATOM 0 HE ARG A 15 -1.709 -8.357 -18.236 1.00 22.33 H new ATOM 0 HH11 ARG A 15 1.506 -8.159 -16.790 1.00 72.34 H new ATOM 0 HH12 ARG A 15 1.802 -9.896 -16.928 1.00 72.34 H new ATOM 0 HH21 ARG A 15 -1.322 -10.587 -18.412 1.00 42.43 H new ATOM 0 HH22 ARG A 15 0.207 -11.264 -17.843 1.00 42.43 H new ATOM 248 N CYS A 16 -0.613 -1.303 -18.070 1.00 33.35 N ATOM 249 CA CYS A 16 -1.183 0.010 -18.351 1.00 20.20 C ATOM 250 C CYS A 16 -0.821 0.469 -19.760 1.00 32.32 C ATOM 251 O CYS A 16 -1.669 0.974 -20.496 1.00 21.13 O ATOM 252 CB CYS A 16 -0.691 1.033 -17.326 1.00 64.41 C ATOM 253 SG CYS A 16 -1.812 1.276 -15.929 1.00 52.40 S ATOM 0 H CYS A 16 0.034 -1.322 -17.282 1.00 33.35 H new ATOM 0 HA CYS A 16 -2.268 -0.070 -18.281 1.00 20.20 H new ATOM 0 HB2 CYS A 16 0.280 0.714 -16.947 1.00 64.41 H new ATOM 0 HB3 CYS A 16 -0.539 1.989 -17.827 1.00 64.41 H new ATOM 0 HG CYS A 16 -1.344 2.210 -15.155 1.00 52.40 H new ATOM 259 N SER A 17 0.443 0.291 -20.128 1.00 65.21 N ATOM 260 CA SER A 17 0.919 0.692 -21.447 1.00 22.31 C ATOM 261 C SER A 17 0.103 0.019 -22.546 1.00 54.54 C ATOM 262 O SER A 17 0.023 0.518 -23.668 1.00 62.23 O ATOM 263 CB SER A 17 2.399 0.339 -21.607 1.00 43.34 C ATOM 264 OG SER A 17 3.204 1.106 -20.729 1.00 3.41 O ATOM 0 H SER A 17 1.156 -0.128 -19.532 1.00 65.21 H new ATOM 0 HA SER A 17 0.798 1.771 -21.537 1.00 22.31 H new ATOM 0 HB2 SER A 17 2.547 -0.722 -21.407 1.00 43.34 H new ATOM 0 HB3 SER A 17 2.709 0.515 -22.637 1.00 43.34 H new ATOM 0 HG SER A 17 3.187 0.705 -19.835 1.00 3.41 H new ATOM 270 N ASN A 18 -0.503 -1.116 -22.215 1.00 21.23 N ATOM 271 CA ASN A 18 -1.313 -1.859 -23.173 1.00 55.54 C ATOM 272 C ASN A 18 -2.453 -0.995 -23.706 1.00 62.02 C ATOM 273 O ASN A 18 -2.985 -1.248 -24.787 1.00 34.52 O ATOM 274 CB ASN A 18 -1.878 -3.124 -22.524 1.00 11.42 C ATOM 275 CG ASN A 18 -1.982 -4.278 -23.501 1.00 74.24 C ATOM 276 OD1 ASN A 18 -2.643 -4.173 -24.535 1.00 61.30 O ATOM 277 ND2 ASN A 18 -1.329 -5.388 -23.178 1.00 21.02 N ATOM 0 H ASN A 18 -0.448 -1.542 -21.290 1.00 21.23 H new ATOM 0 HA ASN A 18 -0.673 -2.143 -24.009 1.00 55.54 H new ATOM 0 HB2 ASN A 18 -1.242 -3.415 -21.688 1.00 11.42 H new ATOM 0 HB3 ASN A 18 -2.865 -2.909 -22.114 1.00 11.42 H new ATOM 0 HD21 ASN A 18 -1.363 -6.198 -23.797 1.00 21.02 H new ATOM 0 HD22 ASN A 18 -0.793 -5.431 -22.311 1.00 21.02 H new ATOM 284 N VAL A 19 -2.822 0.027 -22.940 1.00 63.13 N ATOM 285 CA VAL A 19 -3.896 0.930 -23.335 1.00 74.54 C ATOM 286 C VAL A 19 -3.501 1.754 -24.555 1.00 40.21 C ATOM 287 O VAL A 19 -2.317 1.954 -24.825 1.00 20.41 O ATOM 288 CB VAL A 19 -4.280 1.882 -22.187 1.00 44.35 C ATOM 289 CG1 VAL A 19 -3.193 2.926 -21.974 1.00 74.51 C ATOM 290 CG2 VAL A 19 -5.619 2.546 -22.471 1.00 30.52 C ATOM 0 H VAL A 19 -2.393 0.250 -22.042 1.00 63.13 H new ATOM 0 HA VAL A 19 -4.756 0.309 -23.584 1.00 74.54 H new ATOM 0 HB VAL A 19 -4.376 1.299 -21.271 1.00 44.35 H new ATOM 0 HG11 VAL A 19 -3.481 3.590 -21.159 1.00 74.51 H new ATOM 0 HG12 VAL A 19 -2.256 2.429 -21.723 1.00 74.51 H new ATOM 0 HG13 VAL A 19 -3.063 3.507 -22.887 1.00 74.51 H new ATOM 0 HG21 VAL A 19 -5.875 3.215 -21.650 1.00 30.52 H new ATOM 0 HG22 VAL A 19 -5.553 3.117 -23.397 1.00 30.52 H new ATOM 0 HG23 VAL A 19 -6.390 1.782 -22.570 1.00 30.52 H new ATOM 300 N ALA A 20 -4.501 2.232 -25.289 1.00 63.31 N ATOM 301 CA ALA A 20 -4.258 3.037 -26.479 1.00 44.33 C ATOM 302 C ALA A 20 -4.542 4.511 -26.212 1.00 2.52 C ATOM 303 O ALA A 20 -5.539 4.857 -25.577 1.00 63.23 O ATOM 304 CB ALA A 20 -5.106 2.536 -27.638 1.00 53.13 C ATOM 0 H ALA A 20 -5.487 2.075 -25.080 1.00 63.31 H new ATOM 0 HA ALA A 20 -3.205 2.939 -26.745 1.00 44.33 H new ATOM 0 HB1 ALA A 20 -4.914 3.147 -28.520 1.00 53.13 H new ATOM 0 HB2 ALA A 20 -4.852 1.498 -27.853 1.00 53.13 H new ATOM 0 HB3 ALA A 20 -6.161 2.603 -27.373 1.00 53.13 H new ATOM 310 N VAL A 21 -3.659 5.378 -26.699 1.00 21.50 N ATOM 311 CA VAL A 21 -3.815 6.815 -26.513 1.00 12.13 C ATOM 312 C VAL A 21 -5.083 7.323 -27.191 1.00 64.43 C ATOM 313 O VAL A 21 -5.840 8.101 -26.613 1.00 70.41 O ATOM 314 CB VAL A 21 -2.604 7.588 -27.068 1.00 11.01 C ATOM 315 CG1 VAL A 21 -2.659 9.047 -26.640 1.00 34.42 C ATOM 316 CG2 VAL A 21 -1.305 6.939 -26.614 1.00 11.51 C ATOM 0 H VAL A 21 -2.828 5.109 -27.226 1.00 21.50 H new ATOM 0 HA VAL A 21 -3.886 6.989 -25.439 1.00 12.13 H new ATOM 0 HB VAL A 21 -2.640 7.553 -28.157 1.00 11.01 H new ATOM 0 HG11 VAL A 21 -1.795 9.577 -27.042 1.00 34.42 H new ATOM 0 HG12 VAL A 21 -3.573 9.503 -27.020 1.00 34.42 H new ATOM 0 HG13 VAL A 21 -2.648 9.108 -25.552 1.00 34.42 H new ATOM 0 HG21 VAL A 21 -0.459 7.498 -27.015 1.00 11.51 H new ATOM 0 HG22 VAL A 21 -1.258 6.942 -25.525 1.00 11.51 H new ATOM 0 HG23 VAL A 21 -1.266 5.912 -26.976 1.00 11.51 H new ATOM 396 N LYS A 28 -3.243 4.621 -31.293 1.00 3.20 N ATOM 397 CA LYS A 28 -1.942 4.966 -30.732 1.00 62.00 C ATOM 398 C LYS A 28 -1.669 4.169 -29.460 1.00 52.13 C ATOM 399 O LYS A 28 -2.587 3.621 -28.850 1.00 12.25 O ATOM 400 CB LYS A 28 -1.874 6.465 -30.432 1.00 11.04 C ATOM 401 CG LYS A 28 -1.037 7.248 -31.428 1.00 71.14 C ATOM 402 CD LYS A 28 -0.290 8.388 -30.756 1.00 32.50 C ATOM 403 CE LYS A 28 0.862 7.874 -29.906 1.00 13.13 C ATOM 404 NZ LYS A 28 1.857 8.943 -29.617 1.00 2.24 N ATOM 0 HA LYS A 28 -1.179 4.714 -31.468 1.00 62.00 H new ATOM 0 HB2 LYS A 28 -2.885 6.871 -30.422 1.00 11.04 H new ATOM 0 HB3 LYS A 28 -1.463 6.609 -29.433 1.00 11.04 H new ATOM 0 HG2 LYS A 28 -0.324 6.579 -31.910 1.00 71.14 H new ATOM 0 HG3 LYS A 28 -1.681 7.646 -32.212 1.00 71.14 H new ATOM 0 HD2 LYS A 28 0.092 9.071 -31.514 1.00 32.50 H new ATOM 0 HD3 LYS A 28 -0.978 8.958 -30.132 1.00 32.50 H new ATOM 0 HE2 LYS A 28 0.473 7.477 -28.968 1.00 13.13 H new ATOM 0 HE3 LYS A 28 1.354 7.049 -30.422 1.00 13.13 H new ATOM 0 HZ1 LYS A 28 2.626 8.553 -29.036 1.00 2.24 H new ATOM 0 HZ2 LYS A 28 2.247 9.305 -30.511 1.00 2.24 H new ATOM 0 HZ3 LYS A 28 1.393 9.719 -29.103 1.00 2.24 H new ATOM 418 N LYS A 29 -0.402 4.109 -29.065 1.00 50.41 N ATOM 419 CA LYS A 29 -0.008 3.382 -27.864 1.00 41.23 C ATOM 420 C LYS A 29 0.386 4.346 -26.749 1.00 62.25 C ATOM 421 O LYS A 29 1.112 5.313 -26.979 1.00 40.34 O ATOM 422 CB LYS A 29 1.157 2.439 -28.174 1.00 1.34 C ATOM 423 CG LYS A 29 1.009 1.063 -27.548 1.00 14.43 C ATOM 424 CD LYS A 29 2.212 0.183 -27.843 1.00 54.54 C ATOM 425 CE LYS A 29 3.248 0.265 -26.733 1.00 42.13 C ATOM 426 NZ LYS A 29 4.580 0.686 -27.248 1.00 45.13 N ATOM 0 H LYS A 29 0.370 4.556 -29.560 1.00 50.41 H new ATOM 0 HA LYS A 29 -0.863 2.795 -27.527 1.00 41.23 H new ATOM 0 HB2 LYS A 29 1.247 2.329 -29.255 1.00 1.34 H new ATOM 0 HB3 LYS A 29 2.084 2.892 -27.821 1.00 1.34 H new ATOM 0 HG2 LYS A 29 0.887 1.164 -26.470 1.00 14.43 H new ATOM 0 HG3 LYS A 29 0.106 0.585 -27.927 1.00 14.43 H new ATOM 0 HD2 LYS A 29 1.887 -0.851 -27.963 1.00 54.54 H new ATOM 0 HD3 LYS A 29 2.664 0.487 -28.787 1.00 54.54 H new ATOM 0 HE2 LYS A 29 2.912 0.972 -25.974 1.00 42.13 H new ATOM 0 HE3 LYS A 29 3.337 -0.706 -26.247 1.00 42.13 H new ATOM 0 HZ1 LYS A 29 5.258 0.730 -26.461 1.00 45.13 H new ATOM 0 HZ2 LYS A 29 4.913 -0.002 -27.954 1.00 45.13 H new ATOM 0 HZ3 LYS A 29 4.501 1.624 -27.689 1.00 45.13 H new ATOM 440 N PHE A 30 -0.095 4.074 -25.541 1.00 54.11 N ATOM 441 CA PHE A 30 0.207 4.917 -24.390 1.00 43.02 C ATOM 442 C PHE A 30 1.608 4.628 -23.858 1.00 32.13 C ATOM 443 O PHE A 30 1.969 3.476 -23.623 1.00 31.42 O ATOM 444 CB PHE A 30 -0.827 4.697 -23.284 1.00 63.11 C ATOM 445 CG PHE A 30 -1.362 5.974 -22.701 1.00 60.43 C ATOM 446 CD1 PHE A 30 -2.703 6.300 -22.827 1.00 63.55 C ATOM 447 CD2 PHE A 30 -0.524 6.848 -22.028 1.00 33.12 C ATOM 448 CE1 PHE A 30 -3.199 7.473 -22.292 1.00 43.40 C ATOM 449 CE2 PHE A 30 -1.015 8.023 -21.490 1.00 24.20 C ATOM 450 CZ PHE A 30 -2.353 8.337 -21.623 1.00 71.43 C ATOM 0 H PHE A 30 -0.696 3.276 -25.333 1.00 54.11 H new ATOM 0 HA PHE A 30 0.167 5.958 -24.712 1.00 43.02 H new ATOM 0 HB2 PHE A 30 -1.657 4.114 -23.684 1.00 63.11 H new ATOM 0 HB3 PHE A 30 -0.376 4.105 -22.488 1.00 63.11 H new ATOM 0 HD1 PHE A 30 -3.368 5.629 -23.350 1.00 63.55 H new ATOM 0 HD2 PHE A 30 0.524 6.609 -21.923 1.00 33.12 H new ATOM 0 HE1 PHE A 30 -4.246 7.715 -22.396 1.00 43.40 H new ATOM 0 HE2 PHE A 30 -0.352 8.695 -20.966 1.00 24.20 H new ATOM 0 HZ PHE A 30 -2.737 9.256 -21.205 1.00 71.43 H new ATOM 460 N GLY A 31 2.393 5.684 -23.670 1.00 41.42 N ATOM 461 CA GLY A 31 3.745 5.524 -23.168 1.00 20.12 C ATOM 462 C GLY A 31 3.879 5.946 -21.718 1.00 34.41 C ATOM 463 O GLY A 31 2.970 6.556 -21.157 1.00 13.32 O ATOM 0 H GLY A 31 2.117 6.648 -23.856 1.00 41.42 H new ATOM 0 HA2 GLY A 31 4.046 4.481 -23.269 1.00 20.12 H new ATOM 0 HA3 GLY A 31 4.428 6.113 -23.779 1.00 20.12 H new ATOM 467 N GLU A 32 5.014 5.617 -21.110 1.00 4.31 N ATOM 468 CA GLU A 32 5.261 5.964 -19.715 1.00 44.44 C ATOM 469 C GLU A 32 5.348 7.478 -19.538 1.00 71.44 C ATOM 470 O GLU A 32 5.058 8.006 -18.466 1.00 21.33 O ATOM 471 CB GLU A 32 6.553 5.308 -19.224 1.00 64.25 C ATOM 472 CG GLU A 32 6.793 5.475 -17.733 1.00 53.23 C ATOM 473 CD GLU A 32 8.150 4.956 -17.298 1.00 55.34 C ATOM 474 OE1 GLU A 32 8.855 5.683 -16.568 1.00 24.34 O ATOM 475 OE2 GLU A 32 8.506 3.825 -17.689 1.00 34.15 O ATOM 0 H GLU A 32 5.777 5.111 -21.561 1.00 4.31 H new ATOM 0 HA GLU A 32 4.425 5.593 -19.122 1.00 44.44 H new ATOM 0 HB2 GLU A 32 6.523 4.245 -19.462 1.00 64.25 H new ATOM 0 HB3 GLU A 32 7.396 5.733 -19.769 1.00 64.25 H new ATOM 0 HG2 GLU A 32 6.711 6.530 -17.472 1.00 53.23 H new ATOM 0 HG3 GLU A 32 6.013 4.949 -17.182 1.00 53.23 H new ATOM 482 N GLY A 33 5.750 8.170 -20.600 1.00 71.11 N ATOM 483 CA GLY A 33 5.868 9.615 -20.542 1.00 4.10 C ATOM 484 C GLY A 33 4.538 10.296 -20.292 1.00 54.43 C ATOM 485 O GLY A 33 4.414 11.118 -19.385 1.00 41.33 O ATOM 0 H GLY A 33 5.996 7.756 -21.499 1.00 71.11 H new ATOM 0 HA2 GLY A 33 6.567 9.888 -19.751 1.00 4.10 H new ATOM 0 HA3 GLY A 33 6.289 9.980 -21.479 1.00 4.10 H new ATOM 489 N ASN A 34 3.539 9.955 -21.101 1.00 1.44 N ATOM 490 CA ASN A 34 2.211 10.542 -20.964 1.00 51.12 C ATOM 491 C ASN A 34 1.517 10.030 -19.705 1.00 51.55 C ATOM 492 O ASN A 34 0.923 10.803 -18.953 1.00 42.42 O ATOM 493 CB ASN A 34 1.360 10.222 -22.195 1.00 63.10 C ATOM 494 CG ASN A 34 1.717 11.090 -23.386 1.00 42.01 C ATOM 495 OD1 ASN A 34 2.824 11.008 -23.919 1.00 20.12 O ATOM 496 ND2 ASN A 34 0.778 11.928 -23.810 1.00 2.25 N ATOM 0 H ASN A 34 3.624 9.276 -21.857 1.00 1.44 H new ATOM 0 HA ASN A 34 2.325 11.623 -20.880 1.00 51.12 H new ATOM 0 HB2 ASN A 34 1.491 9.173 -22.461 1.00 63.10 H new ATOM 0 HB3 ASN A 34 0.307 10.360 -21.951 1.00 63.10 H new ATOM 0 HD21 ASN A 34 0.960 12.537 -24.608 1.00 2.25 H new ATOM 0 HD22 ASN A 34 -0.126 11.963 -23.338 1.00 2.25 H new ATOM 503 N PHE A 35 1.597 8.723 -19.483 1.00 34.25 N ATOM 504 CA PHE A 35 0.976 8.107 -18.315 1.00 41.13 C ATOM 505 C PHE A 35 1.491 8.743 -17.027 1.00 74.30 C ATOM 506 O PHE A 35 0.776 8.810 -16.027 1.00 53.31 O ATOM 507 CB PHE A 35 1.251 6.602 -18.300 1.00 33.13 C ATOM 508 CG PHE A 35 0.004 5.765 -18.326 1.00 71.23 C ATOM 509 CD1 PHE A 35 -0.154 4.763 -19.270 1.00 64.30 C ATOM 510 CD2 PHE A 35 -1.011 5.981 -17.408 1.00 21.51 C ATOM 511 CE1 PHE A 35 -1.299 3.990 -19.297 1.00 55.21 C ATOM 512 CE2 PHE A 35 -2.159 5.211 -17.430 1.00 3.02 C ATOM 513 CZ PHE A 35 -2.304 4.216 -18.376 1.00 62.52 C ATOM 0 H PHE A 35 2.085 8.069 -20.095 1.00 34.25 H new ATOM 0 HA PHE A 35 -0.100 8.272 -18.376 1.00 41.13 H new ATOM 0 HB2 PHE A 35 1.870 6.345 -19.160 1.00 33.13 H new ATOM 0 HB3 PHE A 35 1.827 6.355 -17.408 1.00 33.13 H new ATOM 0 HD1 PHE A 35 0.627 4.584 -19.994 1.00 64.30 H new ATOM 0 HD2 PHE A 35 -0.904 6.759 -16.667 1.00 21.51 H new ATOM 0 HE1 PHE A 35 -1.408 3.211 -20.037 1.00 55.21 H new ATOM 0 HE2 PHE A 35 -2.942 5.388 -16.707 1.00 3.02 H new ATOM 0 HZ PHE A 35 -3.201 3.615 -18.396 1.00 62.52 H new ATOM 523 N ARG A 36 2.736 9.207 -17.059 1.00 75.25 N ATOM 524 CA ARG A 36 3.347 9.835 -15.895 1.00 2.22 C ATOM 525 C ARG A 36 2.836 11.262 -15.715 1.00 74.52 C ATOM 526 O ARG A 36 2.435 11.654 -14.620 1.00 14.15 O ATOM 527 CB ARG A 36 4.871 9.842 -16.034 1.00 13.23 C ATOM 528 CG ARG A 36 5.596 10.255 -14.763 1.00 62.24 C ATOM 529 CD ARG A 36 6.623 11.343 -15.037 1.00 32.24 C ATOM 530 NE ARG A 36 5.994 12.607 -15.412 1.00 23.44 N ATOM 531 CZ ARG A 36 6.677 13.692 -15.758 1.00 13.40 C ATOM 532 NH1 ARG A 36 8.002 13.668 -15.777 1.00 42.33 N ATOM 533 NH2 ARG A 36 6.033 14.805 -16.087 1.00 0.35 N ATOM 0 H ARG A 36 3.341 9.160 -17.879 1.00 75.25 H new ATOM 0 HA ARG A 36 3.071 9.255 -15.014 1.00 2.22 H new ATOM 0 HB2 ARG A 36 5.205 8.847 -16.326 1.00 13.23 H new ATOM 0 HB3 ARG A 36 5.151 10.521 -16.839 1.00 13.23 H new ATOM 0 HG2 ARG A 36 4.873 10.612 -14.030 1.00 62.24 H new ATOM 0 HG3 ARG A 36 6.091 9.387 -14.327 1.00 62.24 H new ATOM 0 HD2 ARG A 36 7.238 11.493 -14.149 1.00 32.24 H new ATOM 0 HD3 ARG A 36 7.290 11.019 -15.836 1.00 32.24 H new ATOM 0 HE ARG A 36 4.975 12.659 -15.408 1.00 23.44 H new ATOM 0 HH11 ARG A 36 8.500 12.814 -15.525 1.00 42.33 H new ATOM 0 HH12 ARG A 36 8.523 14.503 -16.043 1.00 42.33 H new ATOM 0 HH21 ARG A 36 5.013 14.827 -16.074 1.00 0.35 H new ATOM 0 HH22 ARG A 36 6.558 15.638 -16.353 1.00 0.35 H new ATOM 547 N TRP A 37 2.853 12.031 -16.797 1.00 43.23 N ATOM 548 CA TRP A 37 2.392 13.414 -16.759 1.00 13.32 C ATOM 549 C TRP A 37 0.965 13.497 -16.227 1.00 41.43 C ATOM 550 O TRP A 37 0.583 14.485 -15.600 1.00 24.21 O ATOM 551 CB TRP A 37 2.467 14.037 -18.154 1.00 15.44 C ATOM 552 CG TRP A 37 1.745 15.347 -18.259 1.00 3.14 C ATOM 553 CD1 TRP A 37 2.295 16.594 -18.177 1.00 3.54 C ATOM 554 CD2 TRP A 37 0.341 15.538 -18.463 1.00 2.20 C ATOM 555 NE1 TRP A 37 1.318 17.550 -18.318 1.00 34.53 N ATOM 556 CE2 TRP A 37 0.110 16.927 -18.495 1.00 42.45 C ATOM 557 CE3 TRP A 37 -0.743 14.671 -18.624 1.00 0.42 C ATOM 558 CZ2 TRP A 37 -1.160 17.466 -18.681 1.00 11.32 C ATOM 559 CZ3 TRP A 37 -2.003 15.208 -18.807 1.00 72.23 C ATOM 560 CH2 TRP A 37 -2.203 16.594 -18.835 1.00 54.44 C ATOM 0 H TRP A 37 3.181 11.721 -17.712 1.00 43.23 H new ATOM 0 HA TRP A 37 3.044 13.970 -16.086 1.00 13.32 H new ATOM 0 HB2 TRP A 37 3.513 14.184 -18.423 1.00 15.44 H new ATOM 0 HB3 TRP A 37 2.047 13.340 -18.879 1.00 15.44 H new ATOM 0 HD1 TRP A 37 3.344 16.799 -18.024 1.00 3.54 H new ATOM 0 HE1 TRP A 37 1.467 18.559 -18.295 1.00 34.53 H new ATOM 0 HE3 TRP A 37 -0.599 13.601 -18.606 1.00 0.42 H new ATOM 0 HZ2 TRP A 37 -1.316 18.534 -18.703 1.00 11.32 H new ATOM 0 HZ3 TRP A 37 -2.848 14.547 -18.931 1.00 72.23 H new ATOM 0 HH2 TRP A 37 -3.200 16.982 -18.981 1.00 54.44 H new ATOM 571 N ALA A 38 0.181 12.455 -16.482 1.00 64.32 N ATOM 572 CA ALA A 38 -1.203 12.410 -16.027 1.00 25.21 C ATOM 573 C ALA A 38 -1.283 12.027 -14.553 1.00 14.40 C ATOM 574 O ALA A 38 -1.717 12.823 -13.719 1.00 23.33 O ATOM 575 CB ALA A 38 -2.005 11.432 -16.873 1.00 1.13 C ATOM 0 H ALA A 38 0.481 11.630 -17.002 1.00 64.32 H new ATOM 0 HA ALA A 38 -1.630 13.406 -16.141 1.00 25.21 H new ATOM 0 HB1 ALA A 38 -3.037 11.408 -16.522 1.00 1.13 H new ATOM 0 HB2 ALA A 38 -1.983 11.750 -17.915 1.00 1.13 H new ATOM 0 HB3 ALA A 38 -1.570 10.436 -16.788 1.00 1.13 H new ATOM 581 N ILE A 39 -0.865 10.806 -14.240 1.00 23.14 N ATOM 582 CA ILE A 39 -0.890 10.319 -12.866 1.00 1.31 C ATOM 583 C ILE A 39 -0.215 11.307 -11.920 1.00 55.32 C ATOM 584 O ILE A 39 -0.639 11.475 -10.776 1.00 42.25 O ATOM 585 CB ILE A 39 -0.195 8.950 -12.741 1.00 13.42 C ATOM 586 CG1 ILE A 39 -0.290 8.436 -11.303 1.00 64.30 C ATOM 587 CG2 ILE A 39 1.258 9.052 -13.178 1.00 43.05 C ATOM 588 CD1 ILE A 39 -0.896 7.054 -11.194 1.00 41.13 C ATOM 0 H ILE A 39 -0.505 10.135 -14.919 1.00 23.14 H new ATOM 0 HA ILE A 39 -1.939 10.212 -12.588 1.00 1.31 H new ATOM 0 HB ILE A 39 -0.701 8.240 -13.395 1.00 13.42 H new ATOM 0 HG12 ILE A 39 0.708 8.422 -10.864 1.00 64.30 H new ATOM 0 HG13 ILE A 39 -0.887 9.133 -10.715 1.00 64.30 H new ATOM 0 HG21 ILE A 39 1.736 8.077 -13.084 1.00 43.05 H new ATOM 0 HG22 ILE A 39 1.303 9.380 -14.217 1.00 43.05 H new ATOM 0 HG23 ILE A 39 1.778 9.773 -12.547 1.00 43.05 H new ATOM 0 HD11 ILE A 39 -0.932 6.754 -10.147 1.00 41.13 H new ATOM 0 HD12 ILE A 39 -1.906 7.066 -11.603 1.00 41.13 H new ATOM 0 HD13 ILE A 39 -0.287 6.344 -11.754 1.00 41.13 H new ATOM 600 N ARG A 40 0.835 11.960 -12.406 1.00 42.12 N ATOM 601 CA ARG A 40 1.568 12.933 -11.605 1.00 22.44 C ATOM 602 C ARG A 40 0.750 14.206 -11.413 1.00 41.30 C ATOM 603 O ARG A 40 0.488 14.623 -10.285 1.00 52.43 O ATOM 604 CB ARG A 40 2.905 13.268 -12.268 1.00 25.54 C ATOM 605 CG ARG A 40 3.669 14.382 -11.570 1.00 72.34 C ATOM 606 CD ARG A 40 3.723 15.639 -12.424 1.00 62.24 C ATOM 607 NE ARG A 40 3.508 16.848 -11.633 1.00 64.54 N ATOM 608 CZ ARG A 40 3.513 18.072 -12.147 1.00 42.52 C ATOM 609 NH1 ARG A 40 3.720 18.250 -13.445 1.00 24.13 N ATOM 610 NH2 ARG A 40 3.310 19.123 -11.363 1.00 11.14 N ATOM 0 H ARG A 40 1.198 11.833 -13.351 1.00 42.12 H new ATOM 0 HA ARG A 40 1.756 12.492 -10.626 1.00 22.44 H new ATOM 0 HB2 ARG A 40 3.525 12.372 -12.289 1.00 25.54 H new ATOM 0 HB3 ARG A 40 2.725 13.556 -13.304 1.00 25.54 H new ATOM 0 HG2 ARG A 40 3.193 14.609 -10.616 1.00 72.34 H new ATOM 0 HG3 ARG A 40 4.682 14.047 -11.349 1.00 72.34 H new ATOM 0 HD2 ARG A 40 4.691 15.698 -12.921 1.00 62.24 H new ATOM 0 HD3 ARG A 40 2.967 15.578 -13.206 1.00 62.24 H new ATOM 0 HE ARG A 40 3.345 16.746 -10.631 1.00 64.54 H new ATOM 0 HH11 ARG A 40 3.876 17.445 -14.052 1.00 24.13 H new ATOM 0 HH12 ARG A 40 3.723 19.192 -13.836 1.00 24.13 H new ATOM 0 HH21 ARG A 40 3.150 18.991 -10.364 1.00 11.14 H new ATOM 0 HH22 ARG A 40 3.314 20.063 -11.759 1.00 11.14 H new ATOM 624 N MET A 41 0.351 14.819 -12.522 1.00 52.45 N ATOM 625 CA MET A 41 -0.438 16.045 -12.476 1.00 41.21 C ATOM 626 C MET A 41 -1.710 15.843 -11.659 1.00 72.54 C ATOM 627 O MET A 41 -2.177 16.758 -10.982 1.00 43.25 O ATOM 628 CB MET A 41 -0.794 16.502 -13.892 1.00 73.53 C ATOM 629 CG MET A 41 -1.425 17.884 -13.945 1.00 24.22 C ATOM 630 SD MET A 41 -1.108 18.733 -15.504 1.00 30.34 S ATOM 631 CE MET A 41 -1.603 20.403 -15.086 1.00 75.44 C ATOM 0 H MET A 41 0.561 14.487 -13.464 1.00 52.45 H new ATOM 0 HA MET A 41 0.163 16.816 -11.994 1.00 41.21 H new ATOM 0 HB2 MET A 41 0.109 16.500 -14.503 1.00 73.53 H new ATOM 0 HB3 MET A 41 -1.481 15.781 -14.336 1.00 73.53 H new ATOM 0 HG2 MET A 41 -2.501 17.794 -13.797 1.00 24.22 H new ATOM 0 HG3 MET A 41 -1.040 18.487 -13.123 1.00 24.22 H new ATOM 0 HE1 MET A 41 -1.465 21.051 -15.952 1.00 75.44 H new ATOM 0 HE2 MET A 41 -2.653 20.409 -14.792 1.00 75.44 H new ATOM 0 HE3 MET A 41 -0.993 20.767 -14.259 1.00 75.44 H new ATOM 641 N ALA A 42 -2.267 14.638 -11.728 1.00 63.44 N ATOM 642 CA ALA A 42 -3.484 14.315 -10.994 1.00 3.10 C ATOM 643 C ALA A 42 -3.233 14.312 -9.490 1.00 22.11 C ATOM 644 O ALA A 42 -3.978 14.923 -8.726 1.00 0.44 O ATOM 645 CB ALA A 42 -4.030 12.968 -11.443 1.00 24.42 C ATOM 0 H ALA A 42 -1.894 13.869 -12.285 1.00 63.44 H new ATOM 0 HA ALA A 42 -4.225 15.085 -11.211 1.00 3.10 H new ATOM 0 HB1 ALA A 42 -4.939 12.740 -10.886 1.00 24.42 H new ATOM 0 HB2 ALA A 42 -4.257 13.004 -12.509 1.00 24.42 H new ATOM 0 HB3 ALA A 42 -3.286 12.193 -11.256 1.00 24.42 H new ATOM 651 N ASN A 43 -2.179 13.619 -9.072 1.00 23.41 N ATOM 652 CA ASN A 43 -1.830 13.535 -7.658 1.00 75.02 C ATOM 653 C ASN A 43 -1.624 14.926 -7.066 1.00 31.34 C ATOM 654 O ASN A 43 -2.152 15.243 -6.000 1.00 30.24 O ATOM 655 CB ASN A 43 -0.565 12.696 -7.472 1.00 44.10 C ATOM 656 CG ASN A 43 -0.740 11.270 -7.956 1.00 62.34 C ATOM 657 OD1 ASN A 43 -1.851 10.739 -7.971 1.00 3.32 O ATOM 658 ND2 ASN A 43 0.360 10.641 -8.356 1.00 13.40 N ATOM 0 H ASN A 43 -1.551 13.107 -9.692 1.00 23.41 H new ATOM 0 HA ASN A 43 -2.656 13.055 -7.133 1.00 75.02 H new ATOM 0 HB2 ASN A 43 0.259 13.162 -8.013 1.00 44.10 H new ATOM 0 HB3 ASN A 43 -0.290 12.688 -6.417 1.00 44.10 H new ATOM 0 HD21 ASN A 43 0.304 9.680 -8.693 1.00 13.40 H new ATOM 0 HD22 ASN A 43 1.260 11.119 -8.327 1.00 13.40 H new ATOM 665 N VAL A 44 -0.853 15.752 -7.765 1.00 2.33 N ATOM 666 CA VAL A 44 -0.578 17.110 -7.309 1.00 65.24 C ATOM 667 C VAL A 44 -1.862 17.923 -7.198 1.00 12.12 C ATOM 668 O VAL A 44 -2.021 18.730 -6.282 1.00 4.01 O ATOM 669 CB VAL A 44 0.395 17.834 -8.259 1.00 53.14 C ATOM 670 CG1 VAL A 44 0.668 19.247 -7.768 1.00 3.41 C ATOM 671 CG2 VAL A 44 1.690 17.048 -8.396 1.00 40.20 C ATOM 0 H VAL A 44 -0.408 15.505 -8.649 1.00 2.33 H new ATOM 0 HA VAL A 44 -0.118 17.027 -6.324 1.00 65.24 H new ATOM 0 HB VAL A 44 -0.068 17.901 -9.244 1.00 53.14 H new ATOM 0 HG11 VAL A 44 1.357 19.743 -8.451 1.00 3.41 H new ATOM 0 HG12 VAL A 44 -0.267 19.805 -7.728 1.00 3.41 H new ATOM 0 HG13 VAL A 44 1.110 19.207 -6.772 1.00 3.41 H new ATOM 0 HG21 VAL A 44 2.365 17.574 -9.071 1.00 40.20 H new ATOM 0 HG22 VAL A 44 2.160 16.948 -7.418 1.00 40.20 H new ATOM 0 HG23 VAL A 44 1.474 16.058 -8.798 1.00 40.20 H new ATOM 681 N SER A 45 -2.778 17.705 -8.136 1.00 62.33 N ATOM 682 CA SER A 45 -4.049 18.420 -8.146 1.00 25.13 C ATOM 683 C SER A 45 -4.852 18.117 -6.885 1.00 22.25 C ATOM 684 O SER A 45 -5.683 18.918 -6.455 1.00 60.24 O ATOM 685 CB SER A 45 -4.862 18.042 -9.385 1.00 63.41 C ATOM 686 OG SER A 45 -4.671 18.983 -10.427 1.00 12.10 O ATOM 0 H SER A 45 -2.664 17.038 -8.900 1.00 62.33 H new ATOM 0 HA SER A 45 -3.836 19.489 -8.173 1.00 25.13 H new ATOM 0 HB2 SER A 45 -4.568 17.050 -9.728 1.00 63.41 H new ATOM 0 HB3 SER A 45 -5.920 17.990 -9.128 1.00 63.41 H new ATOM 0 HG SER A 45 -5.200 18.718 -11.208 1.00 12.10 H new ATOM 692 N THR A 46 -4.598 16.953 -6.294 1.00 4.21 N ATOM 693 CA THR A 46 -5.297 16.542 -5.083 1.00 25.01 C ATOM 694 C THR A 46 -4.455 16.817 -3.842 1.00 63.31 C ATOM 695 O THR A 46 -4.572 16.121 -2.834 1.00 42.31 O ATOM 696 CB THR A 46 -5.657 15.045 -5.123 1.00 54.14 C ATOM 697 OG1 THR A 46 -4.493 14.268 -5.424 1.00 4.22 O ATOM 698 CG2 THR A 46 -6.735 14.776 -6.163 1.00 43.12 C ATOM 0 H THR A 46 -3.913 16.278 -6.635 1.00 4.21 H new ATOM 0 HA THR A 46 -6.215 17.128 -5.034 1.00 25.01 H new ATOM 0 HB THR A 46 -6.039 14.760 -4.143 1.00 54.14 H new ATOM 0 HG1 THR A 46 -3.692 14.821 -5.310 1.00 4.22 H new ATOM 0 HG21 THR A 46 -6.973 13.712 -6.173 1.00 43.12 H new ATOM 0 HG22 THR A 46 -7.630 15.346 -5.915 1.00 43.12 H new ATOM 0 HG23 THR A 46 -6.375 15.077 -7.147 1.00 43.12 H new ATOM 706 N GLY A 47 -3.605 17.837 -3.922 1.00 74.34 N ATOM 707 CA GLY A 47 -2.757 18.185 -2.798 1.00 45.53 C ATOM 708 C GLY A 47 -1.926 17.014 -2.313 1.00 73.31 C ATOM 709 O GLY A 47 -1.723 16.844 -1.111 1.00 34.32 O ATOM 0 H GLY A 47 -3.489 18.428 -4.745 1.00 74.34 H new ATOM 0 HA2 GLY A 47 -2.095 19.002 -3.086 1.00 45.53 H new ATOM 0 HA3 GLY A 47 -3.377 18.550 -1.979 1.00 45.53 H new ATOM 713 N ARG A 48 -1.446 16.203 -3.250 1.00 72.40 N ATOM 714 CA ARG A 48 -0.636 15.039 -2.911 1.00 61.11 C ATOM 715 C ARG A 48 0.682 15.052 -3.679 1.00 65.03 C ATOM 716 O ARG A 48 0.820 15.753 -4.681 1.00 64.33 O ATOM 717 CB ARG A 48 -1.403 13.751 -3.215 1.00 61.32 C ATOM 718 CG ARG A 48 -1.880 13.018 -1.972 1.00 24.21 C ATOM 719 CD ARG A 48 -3.311 12.529 -2.128 1.00 70.30 C ATOM 720 NE ARG A 48 -3.460 11.133 -1.723 1.00 42.41 N ATOM 721 CZ ARG A 48 -4.557 10.417 -1.944 1.00 5.12 C ATOM 722 NH1 ARG A 48 -5.595 10.962 -2.563 1.00 23.20 N ATOM 723 NH2 ARG A 48 -4.616 9.153 -1.545 1.00 70.24 N ATOM 0 H ARG A 48 -1.604 16.330 -4.250 1.00 72.40 H new ATOM 0 HA ARG A 48 -0.416 15.079 -1.844 1.00 61.11 H new ATOM 0 HB2 ARG A 48 -2.265 13.990 -3.839 1.00 61.32 H new ATOM 0 HB3 ARG A 48 -0.764 13.086 -3.796 1.00 61.32 H new ATOM 0 HG2 ARG A 48 -1.224 12.170 -1.774 1.00 24.21 H new ATOM 0 HG3 ARG A 48 -1.813 13.681 -1.109 1.00 24.21 H new ATOM 0 HD2 ARG A 48 -3.975 13.153 -1.529 1.00 70.30 H new ATOM 0 HD3 ARG A 48 -3.621 12.640 -3.167 1.00 70.30 H new ATOM 0 HE ARG A 48 -2.679 10.684 -1.245 1.00 42.41 H new ATOM 0 HH11 ARG A 48 -5.553 11.933 -2.871 1.00 23.20 H new ATOM 0 HH12 ARG A 48 -6.436 10.410 -2.731 1.00 23.20 H new ATOM 0 HH21 ARG A 48 -3.819 8.731 -1.068 1.00 70.24 H new ATOM 0 HH22 ARG A 48 -5.458 8.603 -1.715 1.00 70.24 H new ATOM 773 N ASP A 52 2.988 9.911 -6.659 1.00 1.22 N ATOM 774 CA ASP A 52 2.054 9.128 -5.858 1.00 52.51 C ATOM 775 C ASP A 52 1.551 7.918 -6.639 1.00 14.24 C ATOM 776 O ASP A 52 0.697 8.045 -7.516 1.00 55.05 O ATOM 777 CB ASP A 52 0.873 9.996 -5.421 1.00 15.11 C ATOM 778 CG ASP A 52 0.521 9.801 -3.959 1.00 53.12 C ATOM 779 OD1 ASP A 52 0.754 8.691 -3.435 1.00 52.43 O ATOM 780 OD2 ASP A 52 0.013 10.758 -3.339 1.00 1.43 O ATOM 0 HA ASP A 52 2.581 8.773 -4.973 1.00 52.51 H new ATOM 0 HB2 ASP A 52 1.112 11.045 -5.597 1.00 15.11 H new ATOM 0 HB3 ASP A 52 0.005 9.759 -6.036 1.00 15.11 H new ATOM 785 N ILE A 53 2.086 6.747 -6.313 1.00 63.55 N ATOM 786 CA ILE A 53 1.691 5.514 -6.984 1.00 44.11 C ATOM 787 C ILE A 53 0.964 4.576 -6.027 1.00 55.30 C ATOM 788 O ILE A 53 1.510 3.575 -5.565 1.00 32.53 O ATOM 789 CB ILE A 53 2.909 4.781 -7.577 1.00 30.31 C ATOM 790 CG1 ILE A 53 3.675 5.704 -8.527 1.00 20.31 C ATOM 791 CG2 ILE A 53 2.466 3.517 -8.300 1.00 0.43 C ATOM 792 CD1 ILE A 53 2.856 6.166 -9.711 1.00 53.24 C ATOM 0 H ILE A 53 2.794 6.625 -5.589 1.00 63.55 H new ATOM 0 HA ILE A 53 1.018 5.797 -7.793 1.00 44.11 H new ATOM 0 HB ILE A 53 3.575 4.496 -6.762 1.00 30.31 H new ATOM 0 HG12 ILE A 53 4.021 6.576 -7.973 1.00 20.31 H new ATOM 0 HG13 ILE A 53 4.562 5.184 -8.890 1.00 20.31 H new ATOM 0 HG21 ILE A 53 3.338 3.010 -8.714 1.00 0.43 H new ATOM 0 HG22 ILE A 53 1.960 2.854 -7.598 1.00 0.43 H new ATOM 0 HG23 ILE A 53 1.782 3.780 -9.107 1.00 0.43 H new ATOM 0 HD11 ILE A 53 3.462 6.816 -10.341 1.00 53.24 H new ATOM 0 HD12 ILE A 53 2.531 5.301 -10.289 1.00 53.24 H new ATOM 0 HD13 ILE A 53 1.983 6.714 -9.358 1.00 53.24 H new ATOM 804 N PRO A 54 -0.301 4.906 -5.723 1.00 25.14 N ATOM 805 CA PRO A 54 -1.132 4.105 -4.820 1.00 20.44 C ATOM 806 C PRO A 54 -1.525 2.764 -5.430 1.00 71.23 C ATOM 807 O PRO A 54 -1.545 2.610 -6.651 1.00 14.20 O ATOM 808 CB PRO A 54 -2.370 4.979 -4.608 1.00 12.32 C ATOM 809 CG PRO A 54 -2.440 5.838 -5.823 1.00 42.11 C ATOM 810 CD PRO A 54 -1.016 6.086 -6.237 1.00 64.10 C ATOM 0 HA PRO A 54 -0.607 3.855 -3.898 1.00 20.44 H new ATOM 0 HB2 PRO A 54 -3.269 4.372 -4.500 1.00 12.32 H new ATOM 0 HB3 PRO A 54 -2.280 5.580 -3.703 1.00 12.32 H new ATOM 0 HG2 PRO A 54 -2.997 5.344 -6.619 1.00 42.11 H new ATOM 0 HG3 PRO A 54 -2.953 6.776 -5.609 1.00 42.11 H new ATOM 0 HD2 PRO A 54 -0.922 6.173 -7.319 1.00 64.10 H new ATOM 0 HD3 PRO A 54 -0.628 7.010 -5.808 1.00 64.10 H new ATOM 818 N GLU A 55 -1.837 1.797 -4.573 1.00 21.20 N ATOM 819 CA GLU A 55 -2.229 0.469 -5.030 1.00 71.21 C ATOM 820 C GLU A 55 -3.519 0.019 -4.351 1.00 34.31 C ATOM 821 O GLU A 55 -3.649 -1.135 -3.939 1.00 3.42 O ATOM 822 CB GLU A 55 -1.114 -0.541 -4.751 1.00 1.10 C ATOM 823 CG GLU A 55 0.013 -0.500 -5.769 1.00 43.31 C ATOM 824 CD GLU A 55 -0.464 -0.783 -7.180 1.00 74.50 C ATOM 825 OE1 GLU A 55 0.150 -0.257 -8.131 1.00 43.40 O ATOM 826 OE2 GLU A 55 -1.452 -1.532 -7.333 1.00 53.54 O ATOM 0 H GLU A 55 -1.826 1.908 -3.559 1.00 21.20 H new ATOM 0 HA GLU A 55 -2.403 0.520 -6.105 1.00 71.21 H new ATOM 0 HB2 GLU A 55 -0.703 -0.352 -3.759 1.00 1.10 H new ATOM 0 HB3 GLU A 55 -1.540 -1.544 -4.733 1.00 1.10 H new ATOM 0 HG2 GLU A 55 0.488 0.481 -5.740 1.00 43.31 H new ATOM 0 HG3 GLU A 55 0.773 -1.231 -5.493 1.00 43.31 H new ATOM 833 N THR A 56 -4.473 0.938 -4.237 1.00 31.12 N ATOM 834 CA THR A 56 -5.752 0.638 -3.607 1.00 35.34 C ATOM 835 C THR A 56 -6.889 1.399 -4.280 1.00 21.23 C ATOM 836 O THR A 56 -6.777 2.597 -4.543 1.00 14.04 O ATOM 837 CB THR A 56 -5.735 0.985 -2.106 1.00 41.41 C ATOM 838 OG1 THR A 56 -5.784 2.406 -1.932 1.00 33.12 O ATOM 839 CG2 THR A 56 -4.487 0.430 -1.437 1.00 2.34 C ATOM 0 H THR A 56 -4.383 1.897 -4.573 1.00 31.12 H new ATOM 0 HA THR A 56 -5.917 -0.433 -3.723 1.00 35.34 H new ATOM 0 HB THR A 56 -6.610 0.532 -1.640 1.00 41.41 H new ATOM 0 HG1 THR A 56 -6.136 2.615 -1.042 1.00 33.12 H new ATOM 0 HG21 THR A 56 -4.497 0.687 -0.378 1.00 2.34 H new ATOM 0 HG22 THR A 56 -4.467 -0.654 -1.547 1.00 2.34 H new ATOM 0 HG23 THR A 56 -3.601 0.859 -1.906 1.00 2.34 H new ATOM 847 N LEU A 57 -7.982 0.697 -4.556 1.00 54.00 N ATOM 848 CA LEU A 57 -9.141 1.307 -5.198 1.00 53.45 C ATOM 849 C LEU A 57 -9.603 2.541 -4.429 1.00 75.24 C ATOM 850 O LEU A 57 -10.178 3.465 -5.006 1.00 30.34 O ATOM 851 CB LEU A 57 -10.285 0.296 -5.299 1.00 1.54 C ATOM 852 CG LEU A 57 -9.959 -1.017 -6.010 1.00 73.22 C ATOM 853 CD1 LEU A 57 -10.562 -2.195 -5.260 1.00 1.54 C ATOM 854 CD2 LEU A 57 -10.461 -0.984 -7.446 1.00 74.53 C ATOM 0 H LEU A 57 -8.090 -0.295 -4.345 1.00 54.00 H new ATOM 0 HA LEU A 57 -8.849 1.616 -6.202 1.00 53.45 H new ATOM 0 HB2 LEU A 57 -10.629 0.064 -4.291 1.00 1.54 H new ATOM 0 HB3 LEU A 57 -11.118 0.770 -5.819 1.00 1.54 H new ATOM 0 HG LEU A 57 -8.876 -1.140 -6.027 1.00 73.22 H new ATOM 0 HD11 LEU A 57 -10.319 -3.121 -5.781 1.00 1.54 H new ATOM 0 HD12 LEU A 57 -10.155 -2.230 -4.250 1.00 1.54 H new ATOM 0 HD13 LEU A 57 -11.645 -2.079 -5.211 1.00 1.54 H new ATOM 0 HD21 LEU A 57 -10.220 -1.927 -7.937 1.00 74.53 H new ATOM 0 HD22 LEU A 57 -11.541 -0.838 -7.451 1.00 74.53 H new ATOM 0 HD23 LEU A 57 -9.982 -0.164 -7.980 1.00 74.53 H new ATOM 866 N ASP A 58 -9.347 2.549 -3.126 1.00 10.30 N ATOM 867 CA ASP A 58 -9.734 3.671 -2.278 1.00 23.21 C ATOM 868 C ASP A 58 -8.898 4.907 -2.597 1.00 74.30 C ATOM 869 O ASP A 58 -9.415 6.023 -2.635 1.00 1.01 O ATOM 870 CB ASP A 58 -9.576 3.300 -0.802 1.00 42.34 C ATOM 871 CG ASP A 58 -10.539 4.057 0.091 1.00 50.01 C ATOM 872 OD1 ASP A 58 -10.092 4.594 1.126 1.00 23.43 O ATOM 873 OD2 ASP A 58 -11.740 4.113 -0.246 1.00 10.52 O ATOM 0 H ASP A 58 -8.873 1.792 -2.634 1.00 10.30 H new ATOM 0 HA ASP A 58 -10.781 3.901 -2.477 1.00 23.21 H new ATOM 0 HB2 ASP A 58 -9.738 2.229 -0.680 1.00 42.34 H new ATOM 0 HB3 ASP A 58 -8.553 3.506 -0.486 1.00 42.34 H new ATOM 878 N GLN A 59 -7.606 4.698 -2.825 1.00 4.35 N ATOM 879 CA GLN A 59 -6.699 5.796 -3.138 1.00 40.44 C ATOM 880 C GLN A 59 -6.909 6.284 -4.568 1.00 60.11 C ATOM 881 O GLN A 59 -7.026 7.485 -4.815 1.00 2.11 O ATOM 882 CB GLN A 59 -5.246 5.358 -2.945 1.00 35.43 C ATOM 883 CG GLN A 59 -4.695 5.672 -1.564 1.00 1.35 C ATOM 884 CD GLN A 59 -4.200 4.437 -0.837 1.00 70.14 C ATOM 885 OE1 GLN A 59 -3.369 3.648 -1.509 1.00 62.45 O flip ATOM 886 NE2 GLN A 59 -4.561 4.194 0.315 1.00 1.42 N flip ATOM 0 H GLN A 59 -7.164 3.779 -2.799 1.00 4.35 H new ATOM 0 HA GLN A 59 -6.916 6.618 -2.456 1.00 40.44 H new ATOM 0 HB2 GLN A 59 -5.172 4.285 -3.121 1.00 35.43 H new ATOM 0 HB3 GLN A 59 -4.625 5.848 -3.695 1.00 35.43 H new ATOM 0 HG2 GLN A 59 -3.877 6.386 -1.657 1.00 1.35 H new ATOM 0 HG3 GLN A 59 -5.471 6.153 -0.968 1.00 1.35 H new ATOM 0 HE21 GLN A 59 -5.201 4.828 0.793 1.00 1.42 H new ATOM 0 HE22 GLN A 59 -4.220 3.359 0.791 1.00 1.42 H new ATOM 895 N LEU A 60 -6.956 5.345 -5.507 1.00 4.30 N ATOM 896 CA LEU A 60 -7.151 5.679 -6.914 1.00 13.24 C ATOM 897 C LEU A 60 -8.478 6.402 -7.122 1.00 51.31 C ATOM 898 O LEU A 60 -8.525 7.470 -7.733 1.00 70.02 O ATOM 899 CB LEU A 60 -7.108 4.412 -7.770 1.00 1.24 C ATOM 900 CG LEU A 60 -5.716 3.915 -8.162 1.00 74.14 C ATOM 901 CD1 LEU A 60 -5.006 4.944 -9.027 1.00 50.44 C ATOM 902 CD2 LEU A 60 -4.893 3.599 -6.922 1.00 73.51 C ATOM 0 H LEU A 60 -6.862 4.347 -5.320 1.00 4.30 H new ATOM 0 HA LEU A 60 -6.343 6.344 -7.220 1.00 13.24 H new ATOM 0 HB2 LEU A 60 -7.618 3.615 -7.229 1.00 1.24 H new ATOM 0 HB3 LEU A 60 -7.677 4.594 -8.682 1.00 1.24 H new ATOM 0 HG LEU A 60 -5.829 2.999 -8.742 1.00 74.14 H new ATOM 0 HD11 LEU A 60 -4.017 4.573 -9.296 1.00 50.44 H new ATOM 0 HD12 LEU A 60 -5.586 5.121 -9.933 1.00 50.44 H new ATOM 0 HD13 LEU A 60 -4.905 5.877 -8.473 1.00 50.44 H new ATOM 0 HD21 LEU A 60 -3.906 3.247 -7.221 1.00 73.51 H new ATOM 0 HD22 LEU A 60 -4.789 4.499 -6.315 1.00 73.51 H new ATOM 0 HD23 LEU A 60 -5.394 2.825 -6.340 1.00 73.51 H new ATOM 914 N ARG A 61 -9.554 5.814 -6.608 1.00 44.44 N ATOM 915 CA ARG A 61 -10.881 6.403 -6.737 1.00 51.25 C ATOM 916 C ARG A 61 -10.945 7.759 -6.041 1.00 5.23 C ATOM 917 O ARG A 61 -11.545 8.705 -6.553 1.00 31.13 O ATOM 918 CB ARG A 61 -11.937 5.466 -6.150 1.00 34.35 C ATOM 919 CG ARG A 61 -13.336 6.061 -6.128 1.00 62.14 C ATOM 920 CD ARG A 61 -14.361 5.058 -5.622 1.00 64.22 C ATOM 921 NE ARG A 61 -15.727 5.554 -5.762 1.00 31.42 N ATOM 922 CZ ARG A 61 -16.269 6.453 -4.948 1.00 52.03 C ATOM 923 NH1 ARG A 61 -15.564 6.953 -3.943 1.00 30.31 N ATOM 924 NH2 ARG A 61 -17.519 6.855 -5.140 1.00 72.22 N ATOM 0 H ARG A 61 -9.532 4.931 -6.099 1.00 44.44 H new ATOM 0 HA ARG A 61 -11.084 6.549 -7.798 1.00 51.25 H new ATOM 0 HB2 ARG A 61 -11.953 4.543 -6.729 1.00 34.35 H new ATOM 0 HB3 ARG A 61 -11.649 5.199 -5.133 1.00 34.35 H new ATOM 0 HG2 ARG A 61 -13.346 6.946 -5.491 1.00 62.14 H new ATOM 0 HG3 ARG A 61 -13.609 6.387 -7.131 1.00 62.14 H new ATOM 0 HD2 ARG A 61 -14.256 4.123 -6.173 1.00 64.22 H new ATOM 0 HD3 ARG A 61 -14.162 4.834 -4.574 1.00 64.22 H new ATOM 0 HE ARG A 61 -16.296 5.190 -6.526 1.00 31.42 H new ATOM 0 HH11 ARG A 61 -14.602 6.648 -3.793 1.00 30.31 H new ATOM 0 HH12 ARG A 61 -15.983 7.643 -3.320 1.00 30.31 H new ATOM 0 HH21 ARG A 61 -18.064 6.474 -5.913 1.00 72.22 H new ATOM 0 HH22 ARG A 61 -17.934 7.545 -4.515 1.00 72.22 H new ATOM 938 N LEU A 62 -10.322 7.847 -4.870 1.00 60.34 N ATOM 939 CA LEU A 62 -10.308 9.087 -4.102 1.00 64.23 C ATOM 940 C LEU A 62 -9.764 10.240 -4.940 1.00 33.00 C ATOM 941 O LEU A 62 -10.322 11.338 -4.940 1.00 61.54 O ATOM 942 CB LEU A 62 -9.463 8.917 -2.838 1.00 42.34 C ATOM 943 CG LEU A 62 -9.204 10.188 -2.029 1.00 4.22 C ATOM 944 CD1 LEU A 62 -10.514 10.790 -1.546 1.00 51.45 C ATOM 945 CD2 LEU A 62 -8.285 9.893 -0.852 1.00 32.11 C ATOM 0 H LEU A 62 -9.820 7.074 -4.432 1.00 60.34 H new ATOM 0 HA LEU A 62 -11.334 9.321 -3.817 1.00 64.23 H new ATOM 0 HB2 LEU A 62 -9.956 8.192 -2.190 1.00 42.34 H new ATOM 0 HB3 LEU A 62 -8.502 8.489 -3.122 1.00 42.34 H new ATOM 0 HG LEU A 62 -8.711 10.913 -2.677 1.00 4.22 H new ATOM 0 HD11 LEU A 62 -10.309 11.694 -0.972 1.00 51.45 H new ATOM 0 HD12 LEU A 62 -11.138 11.039 -2.404 1.00 51.45 H new ATOM 0 HD13 LEU A 62 -11.035 10.070 -0.915 1.00 51.45 H new ATOM 0 HD21 LEU A 62 -8.112 10.809 -0.287 1.00 32.11 H new ATOM 0 HD22 LEU A 62 -8.750 9.150 -0.204 1.00 32.11 H new ATOM 0 HD23 LEU A 62 -7.334 9.508 -1.220 1.00 32.11 H new ATOM 957 N VAL A 63 -8.673 9.983 -5.655 1.00 33.14 N ATOM 958 CA VAL A 63 -8.056 10.998 -6.500 1.00 11.13 C ATOM 959 C VAL A 63 -8.952 11.347 -7.683 1.00 11.23 C ATOM 960 O VAL A 63 -9.155 12.521 -7.995 1.00 72.22 O ATOM 961 CB VAL A 63 -6.686 10.532 -7.027 1.00 52.04 C ATOM 962 CG1 VAL A 63 -5.979 11.667 -7.753 1.00 73.53 C ATOM 963 CG2 VAL A 63 -5.829 10.001 -5.888 1.00 13.41 C ATOM 0 H VAL A 63 -8.198 9.080 -5.666 1.00 33.14 H new ATOM 0 HA VAL A 63 -7.916 11.884 -5.880 1.00 11.13 H new ATOM 0 HB VAL A 63 -6.846 9.722 -7.738 1.00 52.04 H new ATOM 0 HG11 VAL A 63 -5.013 11.319 -8.118 1.00 73.53 H new ATOM 0 HG12 VAL A 63 -6.588 11.996 -8.595 1.00 73.53 H new ATOM 0 HG13 VAL A 63 -5.829 12.500 -7.067 1.00 73.53 H new ATOM 0 HG21 VAL A 63 -4.865 9.676 -6.279 1.00 13.41 H new ATOM 0 HG22 VAL A 63 -5.675 10.789 -5.151 1.00 13.41 H new ATOM 0 HG23 VAL A 63 -6.332 9.157 -5.417 1.00 13.41 H new ATOM 973 N ILE A 64 -9.486 10.321 -8.337 1.00 2.04 N ATOM 974 CA ILE A 64 -10.362 10.520 -9.485 1.00 22.35 C ATOM 975 C ILE A 64 -11.580 11.357 -9.108 1.00 64.14 C ATOM 976 O ILE A 64 -12.074 12.148 -9.912 1.00 40.24 O ATOM 977 CB ILE A 64 -10.837 9.176 -10.069 1.00 50.52 C ATOM 978 CG1 ILE A 64 -9.638 8.331 -10.502 1.00 64.12 C ATOM 979 CG2 ILE A 64 -11.777 9.412 -11.242 1.00 41.21 C ATOM 980 CD1 ILE A 64 -9.944 6.853 -10.600 1.00 21.25 C ATOM 0 H ILE A 64 -9.327 9.344 -8.092 1.00 2.04 H new ATOM 0 HA ILE A 64 -9.780 11.049 -10.239 1.00 22.35 H new ATOM 0 HB ILE A 64 -11.380 8.632 -9.296 1.00 50.52 H new ATOM 0 HG12 ILE A 64 -9.285 8.686 -11.470 1.00 64.12 H new ATOM 0 HG13 ILE A 64 -8.824 8.479 -9.792 1.00 64.12 H new ATOM 0 HG21 ILE A 64 -12.104 8.453 -11.644 1.00 41.21 H new ATOM 0 HG22 ILE A 64 -12.644 9.979 -10.905 1.00 41.21 H new ATOM 0 HG23 ILE A 64 -11.256 9.973 -12.018 1.00 41.21 H new ATOM 0 HD11 ILE A 64 -9.048 6.316 -10.912 1.00 21.25 H new ATOM 0 HD12 ILE A 64 -10.269 6.483 -9.627 1.00 21.25 H new ATOM 0 HD13 ILE A 64 -10.736 6.693 -11.332 1.00 21.25 H new ATOM 992 N CYS A 65 -12.057 11.178 -7.882 1.00 12.42 N ATOM 993 CA CYS A 65 -13.217 11.918 -7.398 1.00 12.42 C ATOM 994 C CYS A 65 -12.870 13.386 -7.170 1.00 23.21 C ATOM 995 O CYS A 65 -13.433 14.274 -7.810 1.00 3.11 O ATOM 996 CB CYS A 65 -13.739 11.298 -6.101 1.00 72.10 C ATOM 997 SG CYS A 65 -15.169 12.152 -5.397 1.00 41.22 S ATOM 0 H CYS A 65 -11.659 10.527 -7.205 1.00 12.42 H new ATOM 0 HA CYS A 65 -13.996 11.861 -8.159 1.00 12.42 H new ATOM 0 HB2 CYS A 65 -14.007 10.259 -6.290 1.00 72.10 H new ATOM 0 HB3 CYS A 65 -12.935 11.291 -5.365 1.00 72.10 H new ATOM 0 HG CYS A 65 -15.235 13.358 -5.879 1.00 41.22 H new ATOM 1003 N ASP A 66 -11.940 13.633 -6.253 1.00 75.32 N ATOM 1004 CA ASP A 66 -11.518 14.993 -5.940 1.00 21.22 C ATOM 1005 C ASP A 66 -11.056 15.722 -7.198 1.00 32.13 C ATOM 1006 O ASP A 66 -11.410 16.880 -7.422 1.00 53.13 O ATOM 1007 CB ASP A 66 -10.393 14.974 -4.904 1.00 43.21 C ATOM 1008 CG ASP A 66 -10.875 14.546 -3.532 1.00 74.33 C ATOM 1009 OD1 ASP A 66 -10.216 14.902 -2.533 1.00 31.40 O ATOM 1010 OD2 ASP A 66 -11.913 13.855 -3.458 1.00 11.20 O ATOM 0 H ASP A 66 -11.465 12.909 -5.714 1.00 75.32 H new ATOM 0 HA ASP A 66 -12.374 15.527 -5.527 1.00 21.22 H new ATOM 0 HB2 ASP A 66 -9.608 14.296 -5.238 1.00 43.21 H new ATOM 0 HB3 ASP A 66 -9.949 15.967 -4.836 1.00 43.21 H new ATOM 1015 N LEU A 67 -10.263 15.037 -8.015 1.00 13.34 N ATOM 1016 CA LEU A 67 -9.752 15.620 -9.250 1.00 64.23 C ATOM 1017 C LEU A 67 -10.895 16.076 -10.152 1.00 24.25 C ATOM 1018 O LEU A 67 -10.878 17.190 -10.674 1.00 71.22 O ATOM 1019 CB LEU A 67 -8.876 14.607 -9.991 1.00 33.05 C ATOM 1020 CG LEU A 67 -8.200 15.110 -11.266 1.00 42.22 C ATOM 1021 CD1 LEU A 67 -7.124 16.131 -10.932 1.00 45.53 C ATOM 1022 CD2 LEU A 67 -7.609 13.948 -12.051 1.00 35.30 C ATOM 0 H LEU A 67 -9.960 14.078 -7.844 1.00 13.34 H new ATOM 0 HA LEU A 67 -9.150 16.491 -8.989 1.00 64.23 H new ATOM 0 HB2 LEU A 67 -8.102 14.257 -9.307 1.00 33.05 H new ATOM 0 HB3 LEU A 67 -9.490 13.743 -10.246 1.00 33.05 H new ATOM 0 HG LEU A 67 -8.953 15.595 -11.886 1.00 42.22 H new ATOM 0 HD11 LEU A 67 -6.654 16.478 -11.852 1.00 45.53 H new ATOM 0 HD12 LEU A 67 -7.574 16.977 -10.413 1.00 45.53 H new ATOM 0 HD13 LEU A 67 -6.372 15.671 -10.291 1.00 45.53 H new ATOM 0 HD21 LEU A 67 -7.132 14.325 -12.956 1.00 35.30 H new ATOM 0 HD22 LEU A 67 -6.869 13.434 -11.438 1.00 35.30 H new ATOM 0 HD23 LEU A 67 -8.402 13.252 -12.323 1.00 35.30 H new ATOM 1034 N GLN A 68 -11.886 15.208 -10.326 1.00 62.25 N ATOM 1035 CA GLN A 68 -13.038 15.523 -11.163 1.00 64.23 C ATOM 1036 C GLN A 68 -13.709 16.812 -10.702 1.00 51.12 C ATOM 1037 O GLN A 68 -14.068 17.661 -11.517 1.00 45.52 O ATOM 1038 CB GLN A 68 -14.044 14.371 -11.136 1.00 54.52 C ATOM 1039 CG GLN A 68 -13.895 13.405 -12.300 1.00 51.33 C ATOM 1040 CD GLN A 68 -14.954 13.607 -13.366 1.00 13.21 C ATOM 1041 OE1 GLN A 68 -15.040 14.672 -13.979 1.00 22.23 O ATOM 1042 NE2 GLN A 68 -15.769 12.583 -13.593 1.00 2.32 N ATOM 0 H GLN A 68 -11.915 14.282 -9.899 1.00 62.25 H new ATOM 0 HA GLN A 68 -12.686 15.664 -12.185 1.00 64.23 H new ATOM 0 HB2 GLN A 68 -13.929 13.821 -10.202 1.00 54.52 H new ATOM 0 HB3 GLN A 68 -15.054 14.781 -11.142 1.00 54.52 H new ATOM 0 HG2 GLN A 68 -12.908 13.529 -12.746 1.00 51.33 H new ATOM 0 HG3 GLN A 68 -13.950 12.382 -11.928 1.00 51.33 H new ATOM 0 HE21 GLN A 68 -15.662 11.719 -13.062 1.00 2.32 H new ATOM 0 HE22 GLN A 68 -16.502 12.661 -14.298 1.00 2.32 H new ATOM 1051 N GLU A 69 -13.876 16.950 -9.391 1.00 14.34 N ATOM 1052 CA GLU A 69 -14.506 18.136 -8.822 1.00 54.23 C ATOM 1053 C GLU A 69 -13.753 19.400 -9.227 1.00 64.33 C ATOM 1054 O GLU A 69 -14.353 20.377 -9.675 1.00 60.44 O ATOM 1055 CB GLU A 69 -14.563 18.030 -7.297 1.00 23.51 C ATOM 1056 CG GLU A 69 -15.910 17.568 -6.768 1.00 73.34 C ATOM 1057 CD GLU A 69 -15.795 16.374 -5.841 1.00 31.50 C ATOM 1058 OE1 GLU A 69 -15.826 16.575 -4.609 1.00 1.12 O ATOM 1059 OE2 GLU A 69 -15.674 15.238 -6.347 1.00 1.34 O ATOM 0 H GLU A 69 -13.584 16.256 -8.703 1.00 14.34 H new ATOM 0 HA GLU A 69 -15.522 18.198 -9.212 1.00 54.23 H new ATOM 0 HB2 GLU A 69 -13.793 17.336 -6.961 1.00 23.51 H new ATOM 0 HB3 GLU A 69 -14.327 19.002 -6.865 1.00 23.51 H new ATOM 0 HG2 GLU A 69 -16.389 18.391 -6.237 1.00 73.34 H new ATOM 0 HG3 GLU A 69 -16.557 17.311 -7.607 1.00 73.34 H new ATOM 1066 N ARG A 70 -12.434 19.372 -9.065 1.00 42.34 N ATOM 1067 CA ARG A 70 -11.598 20.515 -9.412 1.00 44.21 C ATOM 1068 C ARG A 70 -11.671 20.808 -10.908 1.00 4.53 C ATOM 1069 O ARG A 70 -11.649 21.967 -11.325 1.00 23.50 O ATOM 1070 CB ARG A 70 -10.147 20.255 -9.003 1.00 3.43 C ATOM 1071 CG ARG A 70 -9.897 20.411 -7.511 1.00 75.04 C ATOM 1072 CD ARG A 70 -9.208 19.186 -6.931 1.00 41.21 C ATOM 1073 NE ARG A 70 -9.548 18.981 -5.526 1.00 4.35 N ATOM 1074 CZ ARG A 70 -9.113 19.763 -4.543 1.00 73.21 C ATOM 1075 NH1 ARG A 70 -8.327 20.796 -4.812 1.00 21.13 N ATOM 1076 NH2 ARG A 70 -9.466 19.512 -3.289 1.00 31.22 N ATOM 0 H ARG A 70 -11.922 18.571 -8.696 1.00 42.34 H new ATOM 0 HA ARG A 70 -11.971 21.384 -8.870 1.00 44.21 H new ATOM 0 HB2 ARG A 70 -9.868 19.246 -9.306 1.00 3.43 H new ATOM 0 HB3 ARG A 70 -9.497 20.941 -9.545 1.00 3.43 H new ATOM 0 HG2 ARG A 70 -9.282 21.294 -7.334 1.00 75.04 H new ATOM 0 HG3 ARG A 70 -10.844 20.574 -6.997 1.00 75.04 H new ATOM 0 HD2 ARG A 70 -9.492 18.304 -7.505 1.00 41.21 H new ATOM 0 HD3 ARG A 70 -8.128 19.296 -7.030 1.00 41.21 H new ATOM 0 HE ARG A 70 -10.152 18.195 -5.286 1.00 4.35 H new ATOM 0 HH11 ARG A 70 -8.055 20.992 -5.775 1.00 21.13 H new ATOM 0 HH12 ARG A 70 -7.995 21.394 -4.056 1.00 21.13 H new ATOM 0 HH21 ARG A 70 -10.072 18.719 -3.079 1.00 31.22 H new ATOM 0 HH22 ARG A 70 -9.132 20.112 -2.535 1.00 31.22 H new ATOM 1090 N ARG A 71 -11.757 19.752 -11.709 1.00 63.22 N ATOM 1091 CA ARG A 71 -11.831 19.896 -13.158 1.00 71.10 C ATOM 1092 C ARG A 71 -13.035 20.743 -13.559 1.00 51.21 C ATOM 1093 O ARG A 71 -12.913 21.675 -14.353 1.00 3.30 O ATOM 1094 CB ARG A 71 -11.916 18.522 -13.825 1.00 32.21 C ATOM 1095 CG ARG A 71 -12.216 18.585 -15.314 1.00 24.33 C ATOM 1096 CD ARG A 71 -13.617 18.082 -15.622 1.00 31.31 C ATOM 1097 NE ARG A 71 -13.602 16.741 -16.201 1.00 55.35 N ATOM 1098 CZ ARG A 71 -13.336 16.496 -17.479 1.00 44.14 C ATOM 1099 NH1 ARG A 71 -13.062 17.496 -18.307 1.00 33.44 N ATOM 1100 NH2 ARG A 71 -13.341 15.249 -17.932 1.00 74.22 N ATOM 0 H ARG A 71 -11.777 18.787 -11.379 1.00 63.22 H new ATOM 0 HA ARG A 71 -10.925 20.400 -13.495 1.00 71.10 H new ATOM 0 HB2 ARG A 71 -10.973 17.996 -13.675 1.00 32.21 H new ATOM 0 HB3 ARG A 71 -12.691 17.935 -13.331 1.00 32.21 H new ATOM 0 HG2 ARG A 71 -12.112 19.612 -15.664 1.00 24.33 H new ATOM 0 HG3 ARG A 71 -11.486 17.987 -15.859 1.00 24.33 H new ATOM 0 HD2 ARG A 71 -14.209 18.075 -14.707 1.00 31.31 H new ATOM 0 HD3 ARG A 71 -14.105 18.770 -16.312 1.00 31.31 H new ATOM 0 HE ARG A 71 -13.807 15.950 -15.591 1.00 55.35 H new ATOM 0 HH11 ARG A 71 -13.055 18.456 -17.963 1.00 33.44 H new ATOM 0 HH12 ARG A 71 -12.858 17.305 -19.288 1.00 33.44 H new ATOM 0 HH21 ARG A 71 -13.549 14.477 -17.299 1.00 74.22 H new ATOM 0 HH22 ARG A 71 -13.137 15.062 -18.914 1.00 74.22 H new ATOM 1114 N GLU A 72 -14.197 20.411 -13.005 1.00 1.54 N ATOM 1115 CA GLU A 72 -15.423 21.142 -13.306 1.00 64.51 C ATOM 1116 C GLU A 72 -15.304 22.603 -12.882 1.00 62.33 C ATOM 1117 O GLU A 72 -15.562 23.513 -13.670 1.00 60.13 O ATOM 1118 CB GLU A 72 -16.616 20.491 -12.604 1.00 30.22 C ATOM 1119 CG GLU A 72 -17.565 19.777 -13.552 1.00 21.33 C ATOM 1120 CD GLU A 72 -18.972 19.669 -12.997 1.00 70.11 C ATOM 1121 OE1 GLU A 72 -19.139 19.064 -11.917 1.00 4.31 O ATOM 1122 OE2 GLU A 72 -19.906 20.188 -13.643 1.00 12.35 O ATOM 0 H GLU A 72 -14.315 19.641 -12.346 1.00 1.54 H new ATOM 0 HA GLU A 72 -15.581 21.107 -14.384 1.00 64.51 H new ATOM 0 HB2 GLU A 72 -16.248 19.778 -11.867 1.00 30.22 H new ATOM 0 HB3 GLU A 72 -17.168 21.257 -12.059 1.00 30.22 H new ATOM 0 HG2 GLU A 72 -17.593 20.311 -14.502 1.00 21.33 H new ATOM 0 HG3 GLU A 72 -17.182 18.778 -13.759 1.00 21.33 H new ATOM 1129 N LYS A 73 -14.912 22.820 -11.631 1.00 62.35 N ATOM 1130 CA LYS A 73 -14.757 24.169 -11.101 1.00 34.13 C ATOM 1131 C LYS A 73 -13.749 24.965 -11.923 1.00 30.02 C ATOM 1132 O LYS A 73 -13.806 26.194 -11.972 1.00 64.14 O ATOM 1133 CB LYS A 73 -14.310 24.116 -9.638 1.00 73.40 C ATOM 1134 CG LYS A 73 -15.285 23.386 -8.730 1.00 72.12 C ATOM 1135 CD LYS A 73 -15.709 24.252 -7.556 1.00 1.21 C ATOM 1136 CE LYS A 73 -17.037 23.792 -6.975 1.00 0.24 C ATOM 1137 NZ LYS A 73 -18.177 24.106 -7.880 1.00 11.45 N ATOM 0 H LYS A 73 -14.696 22.078 -10.965 1.00 62.35 H new ATOM 0 HA LYS A 73 -15.724 24.669 -11.162 1.00 34.13 H new ATOM 0 HB2 LYS A 73 -13.338 23.626 -9.581 1.00 73.40 H new ATOM 0 HB3 LYS A 73 -14.176 25.133 -9.271 1.00 73.40 H new ATOM 0 HG2 LYS A 73 -16.165 23.091 -9.302 1.00 72.12 H new ATOM 0 HG3 LYS A 73 -14.823 22.471 -8.360 1.00 72.12 H new ATOM 0 HD2 LYS A 73 -14.942 24.219 -6.783 1.00 1.21 H new ATOM 0 HD3 LYS A 73 -15.792 25.290 -7.879 1.00 1.21 H new ATOM 0 HE2 LYS A 73 -17.002 22.718 -6.795 1.00 0.24 H new ATOM 0 HE3 LYS A 73 -17.197 24.272 -6.010 1.00 0.24 H new ATOM 0 HZ1 LYS A 73 -19.067 24.065 -7.344 1.00 11.45 H new ATOM 0 HZ2 LYS A 73 -18.054 25.060 -8.275 1.00 11.45 H new ATOM 0 HZ3 LYS A 73 -18.207 23.412 -8.654 1.00 11.45 H new ATOM 1151 N PHE A 74 -12.828 24.257 -12.568 1.00 22.02 N ATOM 1152 CA PHE A 74 -11.807 24.898 -13.389 1.00 20.04 C ATOM 1153 C PHE A 74 -12.313 25.119 -14.811 1.00 64.12 C ATOM 1154 O PHE A 74 -11.857 26.023 -15.510 1.00 62.45 O ATOM 1155 CB PHE A 74 -10.535 24.048 -13.414 1.00 2.23 C ATOM 1156 CG PHE A 74 -9.329 24.789 -13.918 1.00 72.41 C ATOM 1157 CD1 PHE A 74 -9.012 26.042 -13.421 1.00 44.20 C ATOM 1158 CD2 PHE A 74 -8.514 24.231 -14.890 1.00 20.01 C ATOM 1159 CE1 PHE A 74 -7.903 26.726 -13.883 1.00 3.12 C ATOM 1160 CE2 PHE A 74 -7.404 24.910 -15.355 1.00 63.11 C ATOM 1161 CZ PHE A 74 -7.098 26.159 -14.852 1.00 13.41 C ATOM 0 H PHE A 74 -12.767 23.239 -12.538 1.00 22.02 H new ATOM 0 HA PHE A 74 -11.578 25.869 -12.949 1.00 20.04 H new ATOM 0 HB2 PHE A 74 -10.332 23.682 -12.408 1.00 2.23 H new ATOM 0 HB3 PHE A 74 -10.704 23.174 -14.043 1.00 2.23 H new ATOM 0 HD1 PHE A 74 -9.638 26.490 -12.664 1.00 44.20 H new ATOM 0 HD2 PHE A 74 -8.749 23.255 -15.288 1.00 20.01 H new ATOM 0 HE1 PHE A 74 -7.666 27.702 -13.487 1.00 3.12 H new ATOM 0 HE2 PHE A 74 -6.776 24.464 -16.112 1.00 63.11 H new ATOM 0 HZ PHE A 74 -6.231 26.691 -15.215 1.00 13.41 H new ATOM 1171 N GLY A 75 -13.258 24.285 -15.233 1.00 74.11 N ATOM 1172 CA GLY A 75 -13.810 24.404 -16.570 1.00 14.40 C ATOM 1173 C GLY A 75 -13.336 23.300 -17.494 1.00 12.31 C ATOM 1174 O GLY A 75 -12.740 22.320 -17.047 1.00 13.55 O ATOM 0 H GLY A 75 -13.651 23.529 -14.673 1.00 74.11 H new ATOM 0 HA2 GLY A 75 -14.898 24.384 -16.513 1.00 14.40 H new ATOM 0 HA3 GLY A 75 -13.531 25.370 -16.990 1.00 14.40 H new ATOM 1178 N SER A 76 -13.602 23.457 -18.787 1.00 13.44 N ATOM 1179 CA SER A 76 -13.203 22.463 -19.776 1.00 34.24 C ATOM 1180 C SER A 76 -11.752 22.669 -20.198 1.00 70.24 C ATOM 1181 O SER A 76 -11.266 23.798 -20.258 1.00 43.03 O ATOM 1182 CB SER A 76 -14.118 22.534 -21.000 1.00 12.53 C ATOM 1183 OG SER A 76 -15.130 21.544 -20.939 1.00 41.11 O ATOM 0 H SER A 76 -14.092 24.263 -19.174 1.00 13.44 H new ATOM 0 HA SER A 76 -13.294 21.477 -19.321 1.00 34.24 H new ATOM 0 HB2 SER A 76 -14.575 23.522 -21.060 1.00 12.53 H new ATOM 0 HB3 SER A 76 -13.528 22.400 -21.907 1.00 12.53 H new ATOM 0 HG SER A 76 -15.702 21.612 -21.732 1.00 41.11 H new ATOM 1189 N SER A 77 -11.066 21.569 -20.491 1.00 24.33 N ATOM 1190 CA SER A 77 -9.668 21.627 -20.904 1.00 75.23 C ATOM 1191 C SER A 77 -9.139 20.233 -21.226 1.00 62.30 C ATOM 1192 O SER A 77 -9.203 19.325 -20.397 1.00 63.52 O ATOM 1193 CB SER A 77 -8.816 22.268 -19.808 1.00 11.24 C ATOM 1194 OG SER A 77 -7.579 21.593 -19.663 1.00 45.13 O ATOM 0 H SER A 77 -11.455 20.627 -20.450 1.00 24.33 H new ATOM 0 HA SER A 77 -9.606 22.237 -21.805 1.00 75.23 H new ATOM 0 HB2 SER A 77 -8.636 23.316 -20.049 1.00 11.24 H new ATOM 0 HB3 SER A 77 -9.358 22.247 -18.863 1.00 11.24 H new ATOM 0 HG SER A 77 -7.066 22.003 -18.936 1.00 45.13 H new ATOM 1200 N LYS A 78 -8.615 20.070 -22.436 1.00 52.44 N ATOM 1201 CA LYS A 78 -8.072 18.789 -22.870 1.00 74.42 C ATOM 1202 C LYS A 78 -6.983 18.308 -21.916 1.00 52.24 C ATOM 1203 O LYS A 78 -6.717 17.111 -21.817 1.00 71.13 O ATOM 1204 CB LYS A 78 -7.509 18.904 -24.288 1.00 62.33 C ATOM 1205 CG LYS A 78 -8.530 19.365 -25.313 1.00 54.22 C ATOM 1206 CD LYS A 78 -9.048 18.205 -26.146 1.00 71.33 C ATOM 1207 CE LYS A 78 -10.265 17.557 -25.504 1.00 54.03 C ATOM 1208 NZ LYS A 78 -11.324 17.251 -26.506 1.00 10.31 N ATOM 0 H LYS A 78 -8.555 20.811 -23.135 1.00 52.44 H new ATOM 0 HA LYS A 78 -8.882 18.060 -22.866 1.00 74.42 H new ATOM 0 HB2 LYS A 78 -6.672 19.602 -24.282 1.00 62.33 H new ATOM 0 HB3 LYS A 78 -7.113 17.935 -24.592 1.00 62.33 H new ATOM 0 HG2 LYS A 78 -9.364 19.850 -24.805 1.00 54.22 H new ATOM 0 HG3 LYS A 78 -8.079 20.111 -25.967 1.00 54.22 H new ATOM 0 HD2 LYS A 78 -9.307 18.559 -27.144 1.00 71.33 H new ATOM 0 HD3 LYS A 78 -8.260 17.462 -26.266 1.00 71.33 H new ATOM 0 HE2 LYS A 78 -9.964 16.638 -25.001 1.00 54.03 H new ATOM 0 HE3 LYS A 78 -10.669 18.221 -24.740 1.00 54.03 H new ATOM 0 HZ1 LYS A 78 -12.136 16.810 -26.029 1.00 10.31 H new ATOM 0 HZ2 LYS A 78 -11.629 18.131 -26.968 1.00 10.31 H new ATOM 0 HZ3 LYS A 78 -10.947 16.597 -27.221 1.00 10.31 H new ATOM 1222 N GLU A 79 -6.358 19.250 -21.216 1.00 73.23 N ATOM 1223 CA GLU A 79 -5.299 18.921 -20.270 1.00 63.42 C ATOM 1224 C GLU A 79 -5.861 18.182 -19.059 1.00 61.11 C ATOM 1225 O GLU A 79 -5.494 17.037 -18.792 1.00 11.10 O ATOM 1226 CB GLU A 79 -4.577 20.191 -19.816 1.00 42.25 C ATOM 1227 CG GLU A 79 -3.498 20.656 -20.781 1.00 33.33 C ATOM 1228 CD GLU A 79 -3.972 21.770 -21.694 1.00 35.33 C ATOM 1229 OE1 GLU A 79 -5.202 21.951 -21.819 1.00 21.34 O ATOM 1230 OE2 GLU A 79 -3.115 22.460 -22.283 1.00 71.01 O ATOM 0 H GLU A 79 -6.567 20.246 -21.286 1.00 73.23 H new ATOM 0 HA GLU A 79 -4.587 18.268 -20.774 1.00 63.42 H new ATOM 0 HB2 GLU A 79 -5.308 20.989 -19.690 1.00 42.25 H new ATOM 0 HB3 GLU A 79 -4.127 20.014 -18.839 1.00 42.25 H new ATOM 0 HG2 GLU A 79 -2.633 20.999 -20.214 1.00 33.33 H new ATOM 0 HG3 GLU A 79 -3.168 19.811 -21.386 1.00 33.33 H new ATOM 1237 N ILE A 80 -6.752 18.845 -18.330 1.00 51.22 N ATOM 1238 CA ILE A 80 -7.365 18.252 -17.148 1.00 52.03 C ATOM 1239 C ILE A 80 -8.156 16.999 -17.509 1.00 53.44 C ATOM 1240 O ILE A 80 -8.165 16.021 -16.762 1.00 12.33 O ATOM 1241 CB ILE A 80 -8.300 19.249 -16.439 1.00 11.14 C ATOM 1242 CG1 ILE A 80 -8.952 18.592 -15.220 1.00 4.10 C ATOM 1243 CG2 ILE A 80 -9.361 19.759 -17.403 1.00 21.13 C ATOM 1244 CD1 ILE A 80 -7.955 18.110 -14.189 1.00 15.45 C ATOM 0 H ILE A 80 -7.066 19.793 -18.537 1.00 51.22 H new ATOM 0 HA ILE A 80 -6.553 17.984 -16.472 1.00 52.03 H new ATOM 0 HB ILE A 80 -7.709 20.099 -16.098 1.00 11.14 H new ATOM 0 HG12 ILE A 80 -9.630 19.305 -14.752 1.00 4.10 H new ATOM 0 HG13 ILE A 80 -9.556 17.748 -15.552 1.00 4.10 H new ATOM 0 HG21 ILE A 80 -10.014 20.463 -16.886 1.00 21.13 H new ATOM 0 HG22 ILE A 80 -8.879 20.260 -18.242 1.00 21.13 H new ATOM 0 HG23 ILE A 80 -9.951 18.920 -17.772 1.00 21.13 H new ATOM 0 HD11 ILE A 80 -8.487 17.656 -13.353 1.00 15.45 H new ATOM 0 HD12 ILE A 80 -7.292 17.373 -14.641 1.00 15.45 H new ATOM 0 HD13 ILE A 80 -7.367 18.954 -13.829 1.00 15.45 H new ATOM 1256 N ASP A 81 -8.818 17.036 -18.661 1.00 30.23 N ATOM 1257 CA ASP A 81 -9.610 15.902 -19.123 1.00 53.24 C ATOM 1258 C ASP A 81 -8.739 14.661 -19.286 1.00 30.40 C ATOM 1259 O ASP A 81 -9.117 13.566 -18.869 1.00 53.22 O ATOM 1260 CB ASP A 81 -10.294 16.238 -20.450 1.00 21.02 C ATOM 1261 CG ASP A 81 -11.042 15.054 -21.032 1.00 3.55 C ATOM 1262 OD1 ASP A 81 -10.930 14.824 -22.254 1.00 44.10 O ATOM 1263 OD2 ASP A 81 -11.738 14.358 -20.264 1.00 54.13 O ATOM 0 H ASP A 81 -8.822 17.838 -19.291 1.00 30.23 H new ATOM 0 HA ASP A 81 -10.372 15.693 -18.372 1.00 53.24 H new ATOM 0 HB2 ASP A 81 -10.989 17.064 -20.298 1.00 21.02 H new ATOM 0 HB3 ASP A 81 -9.545 16.578 -21.165 1.00 21.02 H new ATOM 1268 N MET A 82 -7.572 14.839 -19.896 1.00 24.25 N ATOM 1269 CA MET A 82 -6.647 13.732 -20.113 1.00 3.40 C ATOM 1270 C MET A 82 -6.187 13.139 -18.785 1.00 1.20 C ATOM 1271 O MET A 82 -6.257 11.928 -18.578 1.00 40.13 O ATOM 1272 CB MET A 82 -5.436 14.203 -20.921 1.00 41.11 C ATOM 1273 CG MET A 82 -5.379 13.622 -22.325 1.00 11.33 C ATOM 1274 SD MET A 82 -3.701 13.555 -22.981 1.00 31.51 S ATOM 1275 CE MET A 82 -3.261 11.858 -22.611 1.00 10.23 C ATOM 0 H MET A 82 -7.244 15.738 -20.249 1.00 24.25 H new ATOM 0 HA MET A 82 -7.171 12.958 -20.674 1.00 3.40 H new ATOM 0 HB2 MET A 82 -5.454 15.291 -20.987 1.00 41.11 H new ATOM 0 HB3 MET A 82 -4.525 13.932 -20.387 1.00 41.11 H new ATOM 0 HG2 MET A 82 -5.802 12.617 -22.316 1.00 11.33 H new ATOM 0 HG3 MET A 82 -6.001 14.223 -22.988 1.00 11.33 H new ATOM 0 HE1 MET A 82 -2.246 11.661 -22.957 1.00 10.23 H new ATOM 0 HE2 MET A 82 -3.315 11.694 -21.535 1.00 10.23 H new ATOM 0 HE3 MET A 82 -3.953 11.184 -23.116 1.00 10.23 H new ATOM 1285 N ALA A 83 -5.716 14.000 -17.889 1.00 15.34 N ATOM 1286 CA ALA A 83 -5.247 13.561 -16.580 1.00 70.04 C ATOM 1287 C ALA A 83 -6.291 12.694 -15.885 1.00 53.11 C ATOM 1288 O ALA A 83 -5.955 11.708 -15.229 1.00 13.05 O ATOM 1289 CB ALA A 83 -4.895 14.762 -15.716 1.00 4.15 C ATOM 0 H ALA A 83 -5.649 15.006 -18.046 1.00 15.34 H new ATOM 0 HA ALA A 83 -4.351 12.957 -16.726 1.00 70.04 H new ATOM 0 HB1 ALA A 83 -4.546 14.420 -14.742 1.00 4.15 H new ATOM 0 HB2 ALA A 83 -4.108 15.340 -16.200 1.00 4.15 H new ATOM 0 HB3 ALA A 83 -5.778 15.388 -15.586 1.00 4.15 H new ATOM 1295 N ILE A 84 -7.558 13.068 -16.033 1.00 4.41 N ATOM 1296 CA ILE A 84 -8.650 12.324 -15.419 1.00 12.30 C ATOM 1297 C ILE A 84 -8.801 10.945 -16.053 1.00 4.52 C ATOM 1298 O ILE A 84 -8.721 9.924 -15.370 1.00 12.31 O ATOM 1299 CB ILE A 84 -9.986 13.082 -15.541 1.00 63.53 C ATOM 1300 CG1 ILE A 84 -9.889 14.444 -14.852 1.00 54.10 C ATOM 1301 CG2 ILE A 84 -11.118 12.259 -14.944 1.00 63.25 C ATOM 1302 CD1 ILE A 84 -10.818 15.485 -15.438 1.00 31.43 C ATOM 0 H ILE A 84 -7.853 13.882 -16.573 1.00 4.41 H new ATOM 0 HA ILE A 84 -8.401 12.211 -14.364 1.00 12.30 H new ATOM 0 HB ILE A 84 -10.200 13.245 -16.597 1.00 63.53 H new ATOM 0 HG12 ILE A 84 -10.114 14.323 -13.792 1.00 54.10 H new ATOM 0 HG13 ILE A 84 -8.863 14.805 -14.921 1.00 54.10 H new ATOM 0 HG21 ILE A 84 -12.055 12.808 -15.038 1.00 63.25 H new ATOM 0 HG22 ILE A 84 -11.198 11.311 -15.475 1.00 63.25 H new ATOM 0 HG23 ILE A 84 -10.913 12.068 -13.891 1.00 63.25 H new ATOM 0 HD11 ILE A 84 -10.696 16.426 -14.901 1.00 31.43 H new ATOM 0 HD12 ILE A 84 -10.579 15.635 -16.491 1.00 31.43 H new ATOM 0 HD13 ILE A 84 -11.850 15.146 -15.345 1.00 31.43 H new ATOM 1314 N VAL A 85 -9.017 10.923 -17.364 1.00 43.42 N ATOM 1315 CA VAL A 85 -9.175 9.670 -18.092 1.00 32.11 C ATOM 1316 C VAL A 85 -8.025 8.714 -17.796 1.00 74.41 C ATOM 1317 O VAL A 85 -8.227 7.507 -17.655 1.00 62.20 O ATOM 1318 CB VAL A 85 -9.252 9.909 -19.612 1.00 24.04 C ATOM 1319 CG1 VAL A 85 -9.383 8.588 -20.354 1.00 72.01 C ATOM 1320 CG2 VAL A 85 -10.410 10.836 -19.947 1.00 42.41 C ATOM 0 H VAL A 85 -9.087 11.759 -17.944 1.00 43.42 H new ATOM 0 HA VAL A 85 -10.111 9.224 -17.755 1.00 32.11 H new ATOM 0 HB VAL A 85 -8.328 10.389 -19.935 1.00 24.04 H new ATOM 0 HG11 VAL A 85 -9.436 8.777 -21.426 1.00 72.01 H new ATOM 0 HG12 VAL A 85 -8.517 7.962 -20.138 1.00 72.01 H new ATOM 0 HG13 VAL A 85 -10.290 8.077 -20.030 1.00 72.01 H new ATOM 0 HG21 VAL A 85 -10.450 10.994 -21.025 1.00 42.41 H new ATOM 0 HG22 VAL A 85 -11.345 10.387 -19.612 1.00 42.41 H new ATOM 0 HG23 VAL A 85 -10.267 11.793 -19.445 1.00 42.41 H new ATOM 1330 N THR A 86 -6.817 9.260 -17.702 1.00 52.34 N ATOM 1331 CA THR A 86 -5.634 8.456 -17.424 1.00 0.31 C ATOM 1332 C THR A 86 -5.697 7.851 -16.026 1.00 40.21 C ATOM 1333 O THR A 86 -5.356 6.684 -15.828 1.00 14.23 O ATOM 1334 CB THR A 86 -4.345 9.290 -17.552 1.00 52.14 C ATOM 1335 OG1 THR A 86 -4.212 9.783 -18.890 1.00 62.33 O ATOM 1336 CG2 THR A 86 -3.124 8.459 -17.189 1.00 33.35 C ATOM 0 H THR A 86 -6.632 10.257 -17.814 1.00 52.34 H new ATOM 0 HA THR A 86 -5.615 7.655 -18.163 1.00 0.31 H new ATOM 0 HB THR A 86 -4.412 10.130 -16.860 1.00 52.14 H new ATOM 0 HG1 THR A 86 -4.838 10.524 -19.029 1.00 62.33 H new ATOM 0 HG21 THR A 86 -2.226 9.069 -17.287 1.00 33.35 H new ATOM 0 HG22 THR A 86 -3.215 8.109 -16.161 1.00 33.35 H new ATOM 0 HG23 THR A 86 -3.055 7.602 -17.859 1.00 33.35 H new ATOM 1344 N LEU A 87 -6.135 8.651 -15.060 1.00 20.42 N ATOM 1345 CA LEU A 87 -6.244 8.193 -13.679 1.00 4.22 C ATOM 1346 C LEU A 87 -7.150 6.970 -13.580 1.00 1.20 C ATOM 1347 O LEU A 87 -6.841 6.010 -12.874 1.00 64.02 O ATOM 1348 CB LEU A 87 -6.783 9.315 -12.790 1.00 52.21 C ATOM 1349 CG LEU A 87 -6.251 9.351 -11.357 1.00 42.32 C ATOM 1350 CD1 LEU A 87 -6.954 10.434 -10.554 1.00 2.43 C ATOM 1351 CD2 LEU A 87 -6.422 7.994 -10.690 1.00 43.23 C ATOM 0 H LEU A 87 -6.420 9.619 -15.207 1.00 20.42 H new ATOM 0 HA LEU A 87 -5.248 7.912 -13.336 1.00 4.22 H new ATOM 0 HB2 LEU A 87 -6.555 10.269 -13.265 1.00 52.21 H new ATOM 0 HB3 LEU A 87 -7.869 9.230 -12.751 1.00 52.21 H new ATOM 0 HG LEU A 87 -5.187 9.585 -11.391 1.00 42.32 H new ATOM 0 HD11 LEU A 87 -6.562 10.445 -9.537 1.00 2.43 H new ATOM 0 HD12 LEU A 87 -6.780 11.404 -11.020 1.00 2.43 H new ATOM 0 HD13 LEU A 87 -8.025 10.231 -10.529 1.00 2.43 H new ATOM 0 HD21 LEU A 87 -6.038 8.039 -9.671 1.00 43.23 H new ATOM 0 HD22 LEU A 87 -7.479 7.730 -10.668 1.00 43.23 H new ATOM 0 HD23 LEU A 87 -5.871 7.240 -11.253 1.00 43.23 H new ATOM 1363 N LYS A 88 -8.270 7.011 -14.294 1.00 2.13 N ATOM 1364 CA LYS A 88 -9.221 5.906 -14.290 1.00 64.43 C ATOM 1365 C LYS A 88 -8.604 4.656 -14.910 1.00 22.55 C ATOM 1366 O LYS A 88 -8.748 3.553 -14.381 1.00 74.14 O ATOM 1367 CB LYS A 88 -10.488 6.294 -15.055 1.00 33.14 C ATOM 1368 CG LYS A 88 -11.014 7.674 -14.700 1.00 2.12 C ATOM 1369 CD LYS A 88 -12.510 7.650 -14.434 1.00 24.03 C ATOM 1370 CE LYS A 88 -13.188 8.909 -14.952 1.00 32.23 C ATOM 1371 NZ LYS A 88 -13.263 9.968 -13.908 1.00 35.04 N ATOM 0 H LYS A 88 -8.541 7.798 -14.883 1.00 2.13 H new ATOM 0 HA LYS A 88 -9.481 5.687 -13.254 1.00 64.43 H new ATOM 0 HB2 LYS A 88 -10.282 6.257 -16.125 1.00 33.14 H new ATOM 0 HB3 LYS A 88 -11.264 5.556 -14.854 1.00 33.14 H new ATOM 0 HG2 LYS A 88 -10.493 8.047 -13.818 1.00 2.12 H new ATOM 0 HG3 LYS A 88 -10.799 8.366 -15.514 1.00 2.12 H new ATOM 0 HD2 LYS A 88 -12.952 6.775 -14.911 1.00 24.03 H new ATOM 0 HD3 LYS A 88 -12.689 7.553 -13.363 1.00 24.03 H new ATOM 0 HE2 LYS A 88 -12.640 9.288 -15.815 1.00 32.23 H new ATOM 0 HE3 LYS A 88 -14.194 8.665 -15.295 1.00 32.23 H new ATOM 0 HZ1 LYS A 88 -13.848 10.755 -14.253 1.00 35.04 H new ATOM 0 HZ2 LYS A 88 -13.687 9.574 -13.044 1.00 35.04 H new ATOM 0 HZ3 LYS A 88 -12.306 10.315 -13.696 1.00 35.04 H new ATOM 1385 N VAL A 89 -7.914 4.835 -16.032 1.00 33.02 N ATOM 1386 CA VAL A 89 -7.273 3.722 -16.721 1.00 71.23 C ATOM 1387 C VAL A 89 -6.102 3.175 -15.912 1.00 52.33 C ATOM 1388 O VAL A 89 -5.763 1.996 -16.010 1.00 33.35 O ATOM 1389 CB VAL A 89 -6.769 4.141 -18.115 1.00 63.41 C ATOM 1390 CG1 VAL A 89 -6.067 2.978 -18.801 1.00 4.35 C ATOM 1391 CG2 VAL A 89 -7.920 4.655 -18.966 1.00 33.14 C ATOM 0 H VAL A 89 -7.785 5.741 -16.483 1.00 33.02 H new ATOM 0 HA VAL A 89 -8.027 2.943 -16.834 1.00 71.23 H new ATOM 0 HB VAL A 89 -6.048 4.949 -17.993 1.00 63.41 H new ATOM 0 HG11 VAL A 89 -5.718 3.293 -19.784 1.00 4.35 H new ATOM 0 HG12 VAL A 89 -5.216 2.660 -18.198 1.00 4.35 H new ATOM 0 HG13 VAL A 89 -6.764 2.147 -18.912 1.00 4.35 H new ATOM 0 HG21 VAL A 89 -7.545 4.946 -19.947 1.00 33.14 H new ATOM 0 HG22 VAL A 89 -8.666 3.869 -19.081 1.00 33.14 H new ATOM 0 HG23 VAL A 89 -8.374 5.518 -18.480 1.00 33.14 H new ATOM 1401 N PHE A 90 -5.487 4.041 -15.113 1.00 35.32 N ATOM 1402 CA PHE A 90 -4.353 3.645 -14.286 1.00 52.21 C ATOM 1403 C PHE A 90 -4.794 2.693 -13.178 1.00 44.00 C ATOM 1404 O PHE A 90 -4.151 1.673 -12.930 1.00 12.22 O ATOM 1405 CB PHE A 90 -3.684 4.879 -13.678 1.00 3.15 C ATOM 1406 CG PHE A 90 -2.184 4.845 -13.751 1.00 61.01 C ATOM 1407 CD1 PHE A 90 -1.476 5.929 -14.246 1.00 34.24 C ATOM 1408 CD2 PHE A 90 -1.482 3.729 -13.326 1.00 65.44 C ATOM 1409 CE1 PHE A 90 -0.096 5.901 -14.314 1.00 72.23 C ATOM 1410 CE2 PHE A 90 -0.101 3.695 -13.392 1.00 54.13 C ATOM 1411 CZ PHE A 90 0.592 4.782 -13.888 1.00 60.11 C ATOM 0 H PHE A 90 -5.755 5.021 -15.021 1.00 35.32 H new ATOM 0 HA PHE A 90 -3.635 3.126 -14.921 1.00 52.21 H new ATOM 0 HB2 PHE A 90 -4.045 5.769 -14.193 1.00 3.15 H new ATOM 0 HB3 PHE A 90 -3.987 4.970 -12.635 1.00 3.15 H new ATOM 0 HD1 PHE A 90 -2.009 6.806 -14.583 1.00 34.24 H new ATOM 0 HD2 PHE A 90 -2.019 2.876 -12.939 1.00 65.44 H new ATOM 0 HE1 PHE A 90 0.444 6.753 -14.700 1.00 72.23 H new ATOM 0 HE2 PHE A 90 0.435 2.820 -13.056 1.00 54.13 H new ATOM 0 HZ PHE A 90 1.670 4.757 -13.943 1.00 60.11 H new ATOM 1421 N ALA A 91 -5.894 3.035 -12.515 1.00 25.20 N ATOM 1422 CA ALA A 91 -6.421 2.211 -11.435 1.00 33.24 C ATOM 1423 C ALA A 91 -6.939 0.878 -11.964 1.00 34.22 C ATOM 1424 O ALA A 91 -6.746 -0.166 -11.341 1.00 20.31 O ATOM 1425 CB ALA A 91 -7.525 2.953 -10.696 1.00 74.21 C ATOM 0 H ALA A 91 -6.437 3.877 -12.707 1.00 25.20 H new ATOM 0 HA ALA A 91 -5.608 2.004 -10.739 1.00 33.24 H new ATOM 0 HB1 ALA A 91 -7.910 2.326 -9.892 1.00 74.21 H new ATOM 0 HB2 ALA A 91 -7.125 3.876 -10.277 1.00 74.21 H new ATOM 0 HB3 ALA A 91 -8.332 3.189 -11.390 1.00 74.21 H new ATOM 1431 N VAL A 92 -7.600 0.920 -13.117 1.00 5.32 N ATOM 1432 CA VAL A 92 -8.145 -0.285 -13.730 1.00 15.40 C ATOM 1433 C VAL A 92 -7.039 -1.146 -14.329 1.00 33.02 C ATOM 1434 O VAL A 92 -6.824 -2.281 -13.905 1.00 10.15 O ATOM 1435 CB VAL A 92 -9.166 0.059 -14.831 1.00 13.11 C ATOM 1436 CG1 VAL A 92 -9.696 -1.209 -15.483 1.00 20.01 C ATOM 1437 CG2 VAL A 92 -10.305 0.891 -14.260 1.00 71.32 C ATOM 0 H VAL A 92 -7.771 1.776 -13.645 1.00 5.32 H new ATOM 0 HA VAL A 92 -8.647 -0.843 -12.940 1.00 15.40 H new ATOM 0 HB VAL A 92 -8.663 0.650 -15.597 1.00 13.11 H new ATOM 0 HG11 VAL A 92 -10.416 -0.946 -16.258 1.00 20.01 H new ATOM 0 HG12 VAL A 92 -8.869 -1.762 -15.928 1.00 20.01 H new ATOM 0 HG13 VAL A 92 -10.183 -1.829 -14.730 1.00 20.01 H new ATOM 0 HG21 VAL A 92 -11.017 1.125 -15.051 1.00 71.32 H new ATOM 0 HG22 VAL A 92 -10.808 0.328 -13.474 1.00 71.32 H new ATOM 0 HG23 VAL A 92 -9.907 1.817 -13.845 1.00 71.32 H new ATOM 1447 N ALA A 93 -6.340 -0.598 -15.317 1.00 60.43 N ATOM 1448 CA ALA A 93 -5.254 -1.316 -15.973 1.00 43.42 C ATOM 1449 C ALA A 93 -4.116 -1.599 -14.999 1.00 22.24 C ATOM 1450 O ALA A 93 -3.240 -2.419 -15.273 1.00 14.03 O ATOM 1451 CB ALA A 93 -4.743 -0.523 -17.167 1.00 52.14 C ATOM 0 H ALA A 93 -6.506 0.340 -15.681 1.00 60.43 H new ATOM 0 HA ALA A 93 -5.643 -2.272 -16.324 1.00 43.42 H new ATOM 0 HB1 ALA A 93 -3.932 -1.071 -17.648 1.00 52.14 H new ATOM 0 HB2 ALA A 93 -5.554 -0.376 -17.880 1.00 52.14 H new ATOM 0 HB3 ALA A 93 -4.376 0.446 -16.830 1.00 52.14 H new ATOM 1457 N GLY A 94 -4.134 -0.915 -13.859 1.00 12.42 N ATOM 1458 CA GLY A 94 -3.098 -1.107 -12.861 1.00 40.22 C ATOM 1459 C GLY A 94 -3.531 -2.040 -11.748 1.00 11.44 C ATOM 1460 O GLY A 94 -3.068 -3.178 -11.666 1.00 33.20 O ATOM 0 H GLY A 94 -4.848 -0.231 -13.609 1.00 12.42 H new ATOM 0 HA2 GLY A 94 -2.206 -1.509 -13.341 1.00 40.22 H new ATOM 0 HA3 GLY A 94 -2.824 -0.142 -12.436 1.00 40.22 H new ATOM 1464 N LEU A 95 -4.420 -1.557 -10.886 1.00 72.34 N ATOM 1465 CA LEU A 95 -4.915 -2.356 -9.770 1.00 51.42 C ATOM 1466 C LEU A 95 -5.597 -3.626 -10.269 1.00 41.40 C ATOM 1467 O LEU A 95 -5.386 -4.711 -9.726 1.00 2.10 O ATOM 1468 CB LEU A 95 -5.893 -1.536 -8.926 1.00 24.44 C ATOM 1469 CG LEU A 95 -5.457 -0.109 -8.590 1.00 74.43 C ATOM 1470 CD1 LEU A 95 -6.449 0.541 -7.638 1.00 4.11 C ATOM 1471 CD2 LEU A 95 -4.058 -0.105 -7.992 1.00 33.33 C ATOM 0 H LEU A 95 -4.812 -0.617 -10.939 1.00 72.34 H new ATOM 0 HA LEU A 95 -4.063 -2.642 -9.154 1.00 51.42 H new ATOM 0 HB2 LEU A 95 -6.846 -1.489 -9.453 1.00 24.44 H new ATOM 0 HB3 LEU A 95 -6.072 -2.069 -7.992 1.00 24.44 H new ATOM 0 HG LEU A 95 -5.436 0.471 -9.512 1.00 74.43 H new ATOM 0 HD11 LEU A 95 -6.123 1.556 -7.410 1.00 4.11 H new ATOM 0 HD12 LEU A 95 -7.434 0.573 -8.104 1.00 4.11 H new ATOM 0 HD13 LEU A 95 -6.502 -0.039 -6.717 1.00 4.11 H new ATOM 0 HD21 LEU A 95 -3.765 0.919 -7.759 1.00 33.33 H new ATOM 0 HD22 LEU A 95 -4.051 -0.701 -7.079 1.00 33.33 H new ATOM 0 HD23 LEU A 95 -3.355 -0.530 -8.708 1.00 33.33 H new ATOM 1483 N LEU A 96 -6.414 -3.484 -11.307 1.00 44.41 N ATOM 1484 CA LEU A 96 -7.125 -4.620 -11.882 1.00 13.03 C ATOM 1485 C LEU A 96 -6.289 -5.295 -12.964 1.00 72.31 C ATOM 1486 O LEU A 96 -6.689 -6.315 -13.525 1.00 4.31 O ATOM 1487 CB LEU A 96 -8.465 -4.166 -12.465 1.00 23.22 C ATOM 1488 CG LEU A 96 -9.716 -4.662 -11.739 1.00 25.45 C ATOM 1489 CD1 LEU A 96 -9.874 -3.953 -10.403 1.00 23.24 C ATOM 1490 CD2 LEU A 96 -10.951 -4.457 -12.603 1.00 61.20 C ATOM 0 H LEU A 96 -6.600 -2.593 -11.768 1.00 44.41 H new ATOM 0 HA LEU A 96 -7.308 -5.343 -11.087 1.00 13.03 H new ATOM 0 HB2 LEU A 96 -8.483 -3.076 -12.475 1.00 23.22 H new ATOM 0 HB3 LEU A 96 -8.517 -4.495 -13.503 1.00 23.22 H new ATOM 0 HG LEU A 96 -9.603 -5.729 -11.550 1.00 25.45 H new ATOM 0 HD11 LEU A 96 -10.770 -4.319 -9.901 1.00 23.24 H new ATOM 0 HD12 LEU A 96 -9.002 -4.152 -9.780 1.00 23.24 H new ATOM 0 HD13 LEU A 96 -9.964 -2.880 -10.569 1.00 23.24 H new ATOM 0 HD21 LEU A 96 -11.832 -4.816 -12.070 1.00 61.20 H new ATOM 0 HD22 LEU A 96 -11.068 -3.396 -12.824 1.00 61.20 H new ATOM 0 HD23 LEU A 96 -10.840 -5.012 -13.535 1.00 61.20 H new ATOM 1502 N ASN A 97 -5.126 -4.720 -13.251 1.00 23.32 N ATOM 1503 CA ASN A 97 -4.232 -5.268 -14.265 1.00 0.30 C ATOM 1504 C ASN A 97 -4.980 -5.517 -15.571 1.00 64.33 C ATOM 1505 O ASN A 97 -4.641 -6.427 -16.328 1.00 2.21 O ATOM 1506 CB ASN A 97 -3.601 -6.570 -13.769 1.00 24.02 C ATOM 1507 CG ASN A 97 -2.824 -6.382 -12.480 1.00 43.41 C ATOM 1508 OD1 ASN A 97 -3.173 -6.947 -11.444 1.00 24.04 O ATOM 1509 ND2 ASN A 97 -1.764 -5.583 -12.539 1.00 71.45 N ATOM 0 H ASN A 97 -4.780 -3.875 -12.796 1.00 23.32 H new ATOM 0 HA ASN A 97 -3.444 -4.539 -14.451 1.00 0.30 H new ATOM 0 HB2 ASN A 97 -4.383 -7.313 -13.613 1.00 24.02 H new ATOM 0 HB3 ASN A 97 -2.935 -6.964 -14.537 1.00 24.02 H new ATOM 0 HD21 ASN A 97 -1.203 -5.418 -11.703 1.00 71.45 H new ATOM 0 HD22 ASN A 97 -1.511 -5.135 -13.420 1.00 71.45 H new ATOM 1516 N MET A 98 -5.998 -4.703 -15.829 1.00 44.20 N ATOM 1517 CA MET A 98 -6.792 -4.834 -17.045 1.00 30.21 C ATOM 1518 C MET A 98 -6.002 -4.369 -18.264 1.00 5.13 C ATOM 1519 O MET A 98 -5.090 -3.549 -18.150 1.00 1.22 O ATOM 1520 CB MET A 98 -8.086 -4.028 -16.924 1.00 13.44 C ATOM 1521 CG MET A 98 -9.222 -4.570 -17.776 1.00 14.04 C ATOM 1522 SD MET A 98 -10.247 -5.761 -16.891 1.00 22.13 S ATOM 1523 CE MET A 98 -10.903 -6.721 -18.253 1.00 15.21 C ATOM 0 H MET A 98 -6.293 -3.946 -15.212 1.00 44.20 H new ATOM 0 HA MET A 98 -7.039 -5.888 -17.175 1.00 30.21 H new ATOM 0 HB2 MET A 98 -8.400 -4.015 -15.880 1.00 13.44 H new ATOM 0 HB3 MET A 98 -7.889 -2.995 -17.210 1.00 13.44 H new ATOM 0 HG2 MET A 98 -9.844 -3.742 -18.114 1.00 14.04 H new ATOM 0 HG3 MET A 98 -8.809 -5.043 -18.667 1.00 14.04 H new ATOM 0 HE1 MET A 98 -11.559 -7.501 -17.866 1.00 15.21 H new ATOM 0 HE2 MET A 98 -11.469 -6.069 -18.919 1.00 15.21 H new ATOM 0 HE3 MET A 98 -10.082 -7.178 -18.805 1.00 15.21 H new ATOM 1533 N THR A 99 -6.356 -4.898 -19.431 1.00 10.21 N ATOM 1534 CA THR A 99 -5.679 -4.538 -20.670 1.00 40.12 C ATOM 1535 C THR A 99 -6.652 -3.923 -21.670 1.00 20.22 C ATOM 1536 O THR A 99 -6.731 -4.354 -22.820 1.00 44.03 O ATOM 1537 CB THR A 99 -5.002 -5.761 -21.316 1.00 62.32 C ATOM 1538 OG1 THR A 99 -4.371 -5.381 -22.544 1.00 53.33 O ATOM 1539 CG2 THR A 99 -6.016 -6.864 -21.581 1.00 42.13 C ATOM 0 H THR A 99 -7.108 -5.578 -19.544 1.00 10.21 H new ATOM 0 HA THR A 99 -4.916 -3.804 -20.411 1.00 40.12 H new ATOM 0 HB THR A 99 -4.250 -6.139 -20.624 1.00 62.32 H new ATOM 0 HG1 THR A 99 -5.050 -5.071 -23.179 1.00 53.33 H new ATOM 0 HG21 THR A 99 -5.514 -7.717 -22.037 1.00 42.13 H new ATOM 0 HG22 THR A 99 -6.473 -7.172 -20.640 1.00 42.13 H new ATOM 0 HG23 THR A 99 -6.788 -6.494 -22.255 1.00 42.13 H new ATOM 1547 N VAL A 100 -7.392 -2.913 -21.224 1.00 0.13 N ATOM 1548 CA VAL A 100 -8.359 -2.237 -22.080 1.00 72.23 C ATOM 1549 C VAL A 100 -7.723 -1.811 -23.399 1.00 23.35 C ATOM 1550 O VAL A 100 -6.509 -1.621 -23.481 1.00 13.01 O ATOM 1551 CB VAL A 100 -8.954 -0.998 -21.386 1.00 52.20 C ATOM 1552 CG1 VAL A 100 -7.911 0.103 -21.272 1.00 42.23 C ATOM 1553 CG2 VAL A 100 -10.182 -0.505 -22.137 1.00 43.22 C ATOM 0 H VAL A 100 -7.340 -2.545 -20.274 1.00 0.13 H new ATOM 0 HA VAL A 100 -9.158 -2.951 -22.279 1.00 72.23 H new ATOM 0 HB VAL A 100 -9.261 -1.280 -20.379 1.00 52.20 H new ATOM 0 HG11 VAL A 100 -8.350 0.970 -20.779 1.00 42.23 H new ATOM 0 HG12 VAL A 100 -7.064 -0.257 -20.687 1.00 42.23 H new ATOM 0 HG13 VAL A 100 -7.570 0.386 -22.268 1.00 42.23 H new ATOM 0 HG21 VAL A 100 -10.590 0.371 -21.633 1.00 43.22 H new ATOM 0 HG22 VAL A 100 -9.903 -0.239 -23.157 1.00 43.22 H new ATOM 0 HG23 VAL A 100 -10.935 -1.293 -22.161 1.00 43.22 H new ATOM 1563 N SER A 101 -8.550 -1.663 -24.428 1.00 51.12 N ATOM 1564 CA SER A 101 -8.068 -1.262 -25.745 1.00 22.33 C ATOM 1565 C SER A 101 -7.653 0.206 -25.748 1.00 32.12 C ATOM 1566 O SER A 101 -6.518 0.543 -26.085 1.00 64.41 O ATOM 1567 CB SER A 101 -9.148 -1.501 -26.801 1.00 71.13 C ATOM 1568 OG SER A 101 -10.012 -2.557 -26.418 1.00 13.44 O ATOM 0 H SER A 101 -9.557 -1.815 -24.376 1.00 51.12 H new ATOM 0 HA SER A 101 -7.195 -1.869 -25.985 1.00 22.33 H new ATOM 0 HB2 SER A 101 -9.726 -0.589 -26.947 1.00 71.13 H new ATOM 0 HB3 SER A 101 -8.680 -1.738 -27.757 1.00 71.13 H new ATOM 0 HG SER A 101 -10.694 -2.688 -27.109 1.00 13.44 H new ATOM 1574 N THR A 102 -8.583 1.078 -25.369 1.00 62.23 N ATOM 1575 CA THR A 102 -8.316 2.510 -25.329 1.00 12.00 C ATOM 1576 C THR A 102 -8.575 3.078 -23.938 1.00 42.54 C ATOM 1577 O THR A 102 -9.361 2.527 -23.168 1.00 43.15 O ATOM 1578 CB THR A 102 -9.181 3.271 -26.351 1.00 40.44 C ATOM 1579 OG1 THR A 102 -10.537 3.334 -25.896 1.00 10.33 O ATOM 1580 CG2 THR A 102 -9.129 2.596 -27.713 1.00 71.14 C ATOM 0 H THR A 102 -9.527 0.817 -25.086 1.00 62.23 H new ATOM 0 HA THR A 102 -7.265 2.643 -25.583 1.00 12.00 H new ATOM 0 HB THR A 102 -8.784 4.281 -26.448 1.00 40.44 H new ATOM 0 HG1 THR A 102 -11.080 3.821 -26.551 1.00 10.33 H new ATOM 0 HG21 THR A 102 -9.747 3.151 -28.418 1.00 71.14 H new ATOM 0 HG22 THR A 102 -8.099 2.577 -28.070 1.00 71.14 H new ATOM 0 HG23 THR A 102 -9.503 1.576 -27.628 1.00 71.14 H new ATOM 1588 N ALA A 103 -7.909 4.185 -23.623 1.00 71.32 N ATOM 1589 CA ALA A 103 -8.070 4.829 -22.326 1.00 5.32 C ATOM 1590 C ALA A 103 -9.530 5.179 -22.063 1.00 75.13 C ATOM 1591 O ALA A 103 -10.004 5.097 -20.931 1.00 12.14 O ATOM 1592 CB ALA A 103 -7.204 6.078 -22.246 1.00 65.21 C ATOM 0 H ALA A 103 -7.253 4.654 -24.248 1.00 71.32 H new ATOM 0 HA ALA A 103 -7.748 4.126 -21.557 1.00 5.32 H new ATOM 0 HB1 ALA A 103 -7.334 6.549 -21.272 1.00 65.21 H new ATOM 0 HB2 ALA A 103 -6.157 5.804 -22.380 1.00 65.21 H new ATOM 0 HB3 ALA A 103 -7.499 6.776 -23.029 1.00 65.21 H new ATOM 1598 N ALA A 104 -10.239 5.569 -23.118 1.00 12.54 N ATOM 1599 CA ALA A 104 -11.647 5.930 -23.001 1.00 4.33 C ATOM 1600 C ALA A 104 -12.489 4.729 -22.584 1.00 44.05 C ATOM 1601 O ALA A 104 -13.341 4.832 -21.703 1.00 53.32 O ATOM 1602 CB ALA A 104 -12.155 6.504 -24.315 1.00 72.10 C ATOM 0 H ALA A 104 -9.862 5.643 -24.063 1.00 12.54 H new ATOM 0 HA ALA A 104 -11.739 6.691 -22.226 1.00 4.33 H new ATOM 0 HB1 ALA A 104 -13.207 6.769 -24.214 1.00 72.10 H new ATOM 0 HB2 ALA A 104 -11.579 7.394 -24.570 1.00 72.10 H new ATOM 0 HB3 ALA A 104 -12.043 5.761 -25.104 1.00 72.10 H new ATOM 1608 N ALA A 105 -12.244 3.590 -23.225 1.00 1.43 N ATOM 1609 CA ALA A 105 -12.979 2.369 -22.920 1.00 1.24 C ATOM 1610 C ALA A 105 -12.816 1.982 -21.454 1.00 23.02 C ATOM 1611 O ALA A 105 -13.777 1.582 -20.797 1.00 4.41 O ATOM 1612 CB ALA A 105 -12.516 1.235 -23.822 1.00 3.01 C ATOM 0 H ALA A 105 -11.542 3.488 -23.958 1.00 1.43 H new ATOM 0 HA ALA A 105 -14.037 2.556 -23.104 1.00 1.24 H new ATOM 0 HB1 ALA A 105 -13.073 0.329 -23.583 1.00 3.01 H new ATOM 0 HB2 ALA A 105 -12.690 1.504 -24.864 1.00 3.01 H new ATOM 0 HB3 ALA A 105 -11.452 1.058 -23.666 1.00 3.01 H new ATOM 1618 N ALA A 106 -11.593 2.102 -20.947 1.00 41.43 N ATOM 1619 CA ALA A 106 -11.305 1.766 -19.559 1.00 3.14 C ATOM 1620 C ALA A 106 -12.062 2.682 -18.603 1.00 52.14 C ATOM 1621 O ALA A 106 -12.730 2.216 -17.681 1.00 23.40 O ATOM 1622 CB ALA A 106 -9.808 1.847 -19.296 1.00 13.34 C ATOM 0 H ALA A 106 -10.786 2.430 -21.478 1.00 41.43 H new ATOM 0 HA ALA A 106 -11.640 0.744 -19.382 1.00 3.14 H new ATOM 0 HB1 ALA A 106 -9.607 1.594 -18.255 1.00 13.34 H new ATOM 0 HB2 ALA A 106 -9.286 1.146 -19.947 1.00 13.34 H new ATOM 0 HB3 ALA A 106 -9.458 2.859 -19.497 1.00 13.34 H new ATOM 1628 N GLU A 107 -11.953 3.987 -18.831 1.00 1.32 N ATOM 1629 CA GLU A 107 -12.627 4.968 -17.988 1.00 71.11 C ATOM 1630 C GLU A 107 -14.132 4.717 -17.959 1.00 51.43 C ATOM 1631 O GLU A 107 -14.757 4.752 -16.900 1.00 74.54 O ATOM 1632 CB GLU A 107 -12.344 6.385 -18.491 1.00 15.35 C ATOM 1633 CG GLU A 107 -13.179 7.453 -17.802 1.00 63.34 C ATOM 1634 CD GLU A 107 -14.278 7.998 -18.693 1.00 41.33 C ATOM 1635 OE1 GLU A 107 -14.514 9.224 -18.660 1.00 1.33 O ATOM 1636 OE2 GLU A 107 -14.902 7.200 -19.423 1.00 42.23 O ATOM 0 H GLU A 107 -11.405 4.389 -19.591 1.00 1.32 H new ATOM 0 HA GLU A 107 -12.240 4.866 -16.974 1.00 71.11 H new ATOM 0 HB2 GLU A 107 -11.288 6.610 -18.343 1.00 15.35 H new ATOM 0 HB3 GLU A 107 -12.531 6.425 -19.564 1.00 15.35 H new ATOM 0 HG2 GLU A 107 -13.623 7.035 -16.898 1.00 63.34 H new ATOM 0 HG3 GLU A 107 -12.530 8.271 -17.490 1.00 63.34 H new ATOM 1643 N ASN A 108 -14.707 4.466 -19.131 1.00 42.31 N ATOM 1644 CA ASN A 108 -16.138 4.211 -19.241 1.00 55.23 C ATOM 1645 C ASN A 108 -16.553 3.042 -18.353 1.00 4.01 C ATOM 1646 O ASN A 108 -17.544 3.121 -17.628 1.00 1.10 O ATOM 1647 CB ASN A 108 -16.515 3.920 -20.695 1.00 74.12 C ATOM 1648 CG ASN A 108 -17.451 4.966 -21.271 1.00 31.45 C ATOM 1649 OD1 ASN A 108 -17.471 6.111 -20.821 1.00 12.43 O ATOM 1650 ND2 ASN A 108 -18.232 4.574 -22.271 1.00 12.24 N ATOM 0 H ASN A 108 -14.204 4.434 -20.017 1.00 42.31 H new ATOM 0 HA ASN A 108 -16.667 5.103 -18.907 1.00 55.23 H new ATOM 0 HB2 ASN A 108 -15.609 3.874 -21.300 1.00 74.12 H new ATOM 0 HB3 ASN A 108 -16.989 2.940 -20.755 1.00 74.12 H new ATOM 0 HD21 ASN A 108 -18.883 5.233 -22.698 1.00 12.24 H new ATOM 0 HD22 ASN A 108 -18.181 3.614 -22.612 1.00 12.24 H new ATOM 1657 N MET A 109 -15.786 1.958 -18.415 1.00 3.42 N ATOM 1658 CA MET A 109 -16.072 0.773 -17.614 1.00 40.45 C ATOM 1659 C MET A 109 -15.838 1.049 -16.132 1.00 72.25 C ATOM 1660 O MET A 109 -16.592 0.582 -15.278 1.00 52.31 O ATOM 1661 CB MET A 109 -15.201 -0.399 -18.071 1.00 14.02 C ATOM 1662 CG MET A 109 -15.689 -1.749 -17.570 1.00 5.14 C ATOM 1663 SD MET A 109 -14.471 -2.587 -16.536 1.00 54.43 S ATOM 1664 CE MET A 109 -15.434 -2.889 -15.057 1.00 34.33 C ATOM 0 H MET A 109 -14.962 1.876 -19.011 1.00 3.42 H new ATOM 0 HA MET A 109 -17.121 0.513 -17.755 1.00 40.45 H new ATOM 0 HB2 MET A 109 -15.169 -0.415 -19.160 1.00 14.02 H new ATOM 0 HB3 MET A 109 -14.180 -0.239 -17.725 1.00 14.02 H new ATOM 0 HG2 MET A 109 -16.609 -1.611 -17.002 1.00 5.14 H new ATOM 0 HG3 MET A 109 -15.933 -2.382 -18.423 1.00 5.14 H new ATOM 0 HE1 MET A 109 -14.817 -3.403 -14.320 1.00 34.33 H new ATOM 0 HE2 MET A 109 -15.776 -1.939 -14.645 1.00 34.33 H new ATOM 0 HE3 MET A 109 -16.296 -3.509 -15.304 1.00 34.33 H new ATOM 1674 N TYR A 110 -14.790 1.808 -15.835 1.00 1.23 N ATOM 1675 CA TYR A 110 -14.456 2.143 -14.456 1.00 3.05 C ATOM 1676 C TYR A 110 -15.648 2.776 -13.744 1.00 60.33 C ATOM 1677 O TYR A 110 -15.948 2.444 -12.598 1.00 14.44 O ATOM 1678 CB TYR A 110 -13.259 3.095 -14.415 1.00 55.44 C ATOM 1679 CG TYR A 110 -12.809 3.443 -13.014 1.00 60.05 C ATOM 1680 CD1 TYR A 110 -12.925 4.740 -12.528 1.00 61.52 C ATOM 1681 CD2 TYR A 110 -12.267 2.476 -12.178 1.00 23.44 C ATOM 1682 CE1 TYR A 110 -12.514 5.062 -11.249 1.00 50.02 C ATOM 1683 CE2 TYR A 110 -11.855 2.789 -10.897 1.00 24.31 C ATOM 1684 CZ TYR A 110 -11.980 4.083 -10.437 1.00 51.23 C ATOM 1685 OH TYR A 110 -11.569 4.399 -9.163 1.00 15.44 O ATOM 0 H TYR A 110 -14.157 2.203 -16.530 1.00 1.23 H new ATOM 0 HA TYR A 110 -14.195 1.220 -13.939 1.00 3.05 H new ATOM 0 HB2 TYR A 110 -12.426 2.642 -14.953 1.00 55.44 H new ATOM 0 HB3 TYR A 110 -13.517 4.013 -14.943 1.00 55.44 H new ATOM 0 HD1 TYR A 110 -13.343 5.509 -13.161 1.00 61.52 H new ATOM 0 HD2 TYR A 110 -12.166 1.462 -12.535 1.00 23.44 H new ATOM 0 HE1 TYR A 110 -12.610 6.075 -10.887 1.00 50.02 H new ATOM 0 HE2 TYR A 110 -11.437 2.024 -10.259 1.00 24.31 H new ATOM 0 HH TYR A 110 -11.218 3.596 -8.724 1.00 15.44 H new ATOM 1695 N SER A 111 -16.324 3.689 -14.435 1.00 31.54 N ATOM 1696 CA SER A 111 -17.482 4.371 -13.869 1.00 52.15 C ATOM 1697 C SER A 111 -18.754 3.559 -14.092 1.00 70.45 C ATOM 1698 O SER A 111 -19.680 3.603 -13.284 1.00 35.34 O ATOM 1699 CB SER A 111 -17.635 5.760 -14.491 1.00 54.54 C ATOM 1700 OG SER A 111 -18.539 6.557 -13.745 1.00 31.43 O ATOM 0 H SER A 111 -16.090 3.973 -15.386 1.00 31.54 H new ATOM 0 HA SER A 111 -17.323 4.476 -12.796 1.00 52.15 H new ATOM 0 HB2 SER A 111 -16.663 6.251 -14.535 1.00 54.54 H new ATOM 0 HB3 SER A 111 -17.990 5.665 -15.517 1.00 54.54 H new ATOM 0 HG SER A 111 -18.618 7.440 -14.163 1.00 31.43 H new ATOM 1706 N GLN A 112 -18.790 2.818 -15.195 1.00 64.24 N ATOM 1707 CA GLN A 112 -19.948 1.996 -15.526 1.00 23.32 C ATOM 1708 C GLN A 112 -20.208 0.959 -14.438 1.00 3.25 C ATOM 1709 O GLN A 112 -21.339 0.511 -14.251 1.00 43.52 O ATOM 1710 CB GLN A 112 -19.738 1.298 -16.871 1.00 5.41 C ATOM 1711 CG GLN A 112 -20.911 0.430 -17.296 1.00 24.12 C ATOM 1712 CD GLN A 112 -20.855 0.051 -18.763 1.00 11.13 C ATOM 1713 OE1 GLN A 112 -20.736 0.913 -19.634 1.00 71.22 O ATOM 1714 NE2 GLN A 112 -20.941 -1.244 -19.044 1.00 11.14 N ATOM 0 H GLN A 112 -18.031 2.770 -15.874 1.00 64.24 H new ATOM 0 HA GLN A 112 -20.817 2.650 -15.596 1.00 23.32 H new ATOM 0 HB2 GLN A 112 -19.558 2.052 -17.638 1.00 5.41 H new ATOM 0 HB3 GLN A 112 -18.842 0.680 -16.814 1.00 5.41 H new ATOM 0 HG2 GLN A 112 -20.925 -0.476 -16.691 1.00 24.12 H new ATOM 0 HG3 GLN A 112 -21.842 0.961 -17.097 1.00 24.12 H new ATOM 0 HE21 GLN A 112 -21.039 -1.924 -18.290 1.00 11.14 H new ATOM 0 HE22 GLN A 112 -20.909 -1.559 -20.014 1.00 11.14 H new ATOM 1723 N MET A 113 -19.153 0.582 -13.722 1.00 51.22 N ATOM 1724 CA MET A 113 -19.268 -0.401 -12.652 1.00 33.34 C ATOM 1725 C MET A 113 -19.644 0.270 -11.334 1.00 43.35 C ATOM 1726 O MET A 113 -20.197 -0.365 -10.438 1.00 62.41 O ATOM 1727 CB MET A 113 -17.954 -1.168 -12.490 1.00 50.44 C ATOM 1728 CG MET A 113 -17.938 -2.101 -11.291 1.00 0.13 C ATOM 1729 SD MET A 113 -16.881 -3.539 -11.544 1.00 21.51 S ATOM 1730 CE MET A 113 -16.015 -3.603 -9.978 1.00 24.04 C ATOM 0 H MET A 113 -18.210 0.943 -13.864 1.00 51.22 H new ATOM 0 HA MET A 113 -20.058 -1.102 -12.921 1.00 33.34 H new ATOM 0 HB2 MET A 113 -17.768 -1.748 -13.394 1.00 50.44 H new ATOM 0 HB3 MET A 113 -17.136 -0.454 -12.395 1.00 50.44 H new ATOM 0 HG2 MET A 113 -17.595 -1.553 -10.414 1.00 0.13 H new ATOM 0 HG3 MET A 113 -18.954 -2.434 -11.081 1.00 0.13 H new ATOM 0 HE1 MET A 113 -15.321 -4.444 -9.980 1.00 24.04 H new ATOM 0 HE2 MET A 113 -15.461 -2.676 -9.830 1.00 24.04 H new ATOM 0 HE3 MET A 113 -16.735 -3.728 -9.169 1.00 24.04 H new ATOM 1740 N GLY A 114 -19.339 1.560 -11.225 1.00 22.15 N ATOM 1741 CA GLY A 114 -19.651 2.295 -10.013 1.00 53.42 C ATOM 1742 C GLY A 114 -18.414 2.635 -9.205 1.00 74.34 C ATOM 1743 O GLY A 114 -18.485 2.796 -7.986 1.00 42.44 O ATOM 0 H GLY A 114 -18.882 2.108 -11.954 1.00 22.15 H new ATOM 0 HA2 GLY A 114 -20.174 3.215 -10.274 1.00 53.42 H new ATOM 0 HA3 GLY A 114 -20.331 1.705 -9.399 1.00 53.42 H new