USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 768 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: B 138 THR OG1 : rot 86:sc= 0.0871 USER MOD Set 1.2: B 139 GLN : amide:sc= -0.619 X(o=-0.53,f=-0.56) USER MOD Set 2.1: B 133 GLN : amide:sc= -0.422 K(o=0.39,f=-4.9!) USER MOD Set 2.2: B 136 LYS NZ :NH3+ 177:sc= 0.815 (180deg=0) USER MOD Set 3.1: A 41 GLN : amide:sc= -1 K(o=-3.2,f=-6.4!) USER MOD Set 3.2: B 141 GLN : amide:sc= -2.23 K(o=-3.2,f=-5.3!) USER MOD Set 4.1: A 33 GLN : amide:sc= -2.11! C(o=-1.4!,f=-5.8!) USER MOD Set 4.2: A 38 THR OG1 : rot 105:sc= 0.674 USER MOD Single : A 1 ASP N :NH3+ -170:sc= 0 (180deg=-0.0567) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= -0.0389 (180deg=-0.0389) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.18) USER MOD Single : A 13 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= 0.879 (180deg=0.767) USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= 0.489 (180deg=0.433) USER MOD Single : A 19 GLN : amide:sc= -1.95 K(o=-1.9,f=-2.6!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 68:sc= 1.22 USER MOD Single : A 24 ASN : amide:sc= -1.54! X(o=-1.5!,f=-1.2) USER MOD Single : A 25 MET CE :methyl -166:sc= -0.0743 (180deg=-0.365) USER MOD Single : A 28 THR OG1 : rot 66:sc= 1.13 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 173:sc=-0.00831 (180deg=-0.0645) USER MOD Single : A 39 GLN :FLIP amide:sc=-0.00345 F(o=-1.1,f=-0.0035) USER MOD Single : B 103 LYS NZ :NH3+ 157:sc= -0.0564 (180deg=-0.401) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.057) USER MOD Single : B 113 ASN :FLIP amide:sc= -0.224 F(o=-0.92,f=-0.22) USER MOD Single : B 115 LYS NZ :NH3+ -165:sc= 0.585 (180deg=0.458) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 119 GLN : amide:sc= -2.21 K(o=-2.2,f=-3) USER MOD Single : B 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 123 THR OG1 : rot 74:sc= 1.22 USER MOD Single : B 124 ASN :FLIP amide:sc= -1.77! C(o=-4.4!,f=-1.8!) USER MOD Single : B 125 MET CE :methyl -167:sc= -0.0563 (180deg=-0.302) USER MOD Single : B 128 THR OG1 : rot 78:sc= 0.984 USER MOD Single : B 131 LYS NZ :NH3+ 140:sc= 0.898 (180deg=0.0673) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 15.621 -6.804 23.711 1.00 44.25 N ATOM 2 CA ASP A 1 15.757 -7.036 22.255 1.00 55.11 C ATOM 3 C ASP A 1 14.382 -6.968 21.575 1.00 44.23 C ATOM 4 O ASP A 1 14.154 -6.155 20.690 1.00 44.52 O ATOM 5 CB ASP A 1 16.407 -8.418 21.975 1.00 62.25 C ATOM 6 CG ASP A 1 17.771 -8.587 22.657 1.00 74.32 C ATOM 7 OD1 ASP A 1 17.800 -9.037 23.822 1.00 55.40 O ATOM 8 OD2 ASP A 1 18.808 -8.256 22.043 1.00 54.11 O ATOM 0 H1 ASP A 1 16.564 -6.684 24.133 1.00 44.25 H new ATOM 0 H2 ASP A 1 15.056 -5.946 23.875 1.00 44.25 H new ATOM 0 H3 ASP A 1 15.147 -7.619 24.150 1.00 44.25 H new ATOM 0 HA ASP A 1 16.400 -6.256 21.847 1.00 55.11 H new ATOM 0 HB2 ASP A 1 15.736 -9.205 22.317 1.00 62.25 H new ATOM 0 HB3 ASP A 1 16.526 -8.546 20.899 1.00 62.25 H new ATOM 15 N PHE A 2 13.450 -7.806 22.039 1.00 44.15 N ATOM 16 CA PHE A 2 12.201 -8.098 21.314 1.00 51.12 C ATOM 17 C PHE A 2 11.215 -6.915 21.237 1.00 10.02 C ATOM 18 O PHE A 2 10.272 -6.955 20.430 1.00 75.42 O ATOM 19 CB PHE A 2 11.548 -9.345 21.929 1.00 40.34 C ATOM 20 CG PHE A 2 12.350 -10.630 21.684 1.00 63.13 C ATOM 21 CD1 PHE A 2 12.574 -11.079 20.385 1.00 74.21 C ATOM 22 CD2 PHE A 2 12.870 -11.389 22.731 1.00 12.21 C ATOM 23 CE1 PHE A 2 13.282 -12.238 20.137 1.00 20.45 C ATOM 24 CE2 PHE A 2 13.582 -12.551 22.484 1.00 34.53 C ATOM 25 CZ PHE A 2 13.790 -12.972 21.185 1.00 30.22 C ATOM 0 H PHE A 2 13.536 -8.302 22.926 1.00 44.15 H new ATOM 0 HA PHE A 2 12.469 -8.288 20.274 1.00 51.12 H new ATOM 0 HB2 PHE A 2 11.433 -9.195 23.003 1.00 40.34 H new ATOM 0 HB3 PHE A 2 10.547 -9.465 21.515 1.00 40.34 H new ATOM 0 HD1 PHE A 2 12.186 -10.509 19.554 1.00 74.21 H new ATOM 0 HD2 PHE A 2 12.715 -11.066 23.750 1.00 12.21 H new ATOM 0 HE1 PHE A 2 13.437 -12.569 19.121 1.00 20.45 H new ATOM 0 HE2 PHE A 2 13.975 -13.128 23.308 1.00 34.53 H new ATOM 0 HZ PHE A 2 14.350 -13.875 20.992 1.00 30.22 H new ATOM 35 N LYS A 3 11.435 -5.865 22.055 1.00 43.55 N ATOM 36 CA LYS A 3 10.625 -4.638 21.977 1.00 42.10 C ATOM 37 C LYS A 3 10.922 -3.914 20.646 1.00 11.22 C ATOM 38 O LYS A 3 9.999 -3.521 19.929 1.00 22.11 O ATOM 39 CB LYS A 3 10.827 -3.688 23.213 1.00 41.32 C ATOM 40 CG LYS A 3 12.050 -2.725 23.175 1.00 64.11 C ATOM 41 CD LYS A 3 13.417 -3.397 23.491 1.00 11.04 C ATOM 42 CE LYS A 3 13.815 -3.268 24.973 1.00 52.52 C ATOM 43 NZ LYS A 3 12.800 -3.833 25.908 1.00 61.53 N ATOM 0 H LYS A 3 12.161 -5.844 22.771 1.00 43.55 H new ATOM 0 HA LYS A 3 9.574 -4.927 22.004 1.00 42.10 H new ATOM 0 HB2 LYS A 3 9.926 -3.086 23.328 1.00 41.32 H new ATOM 0 HB3 LYS A 3 10.912 -4.308 24.106 1.00 41.32 H new ATOM 0 HG2 LYS A 3 12.105 -2.268 22.187 1.00 64.11 H new ATOM 0 HG3 LYS A 3 11.883 -1.919 23.890 1.00 64.11 H new ATOM 0 HD2 LYS A 3 13.369 -4.452 23.223 1.00 11.04 H new ATOM 0 HD3 LYS A 3 14.191 -2.945 22.871 1.00 11.04 H new ATOM 0 HE2 LYS A 3 14.767 -3.775 25.132 1.00 52.52 H new ATOM 0 HE3 LYS A 3 13.971 -2.216 25.210 1.00 52.52 H new ATOM 0 HZ1 LYS A 3 13.127 -3.715 26.888 1.00 61.53 H new ATOM 0 HZ2 LYS A 3 11.896 -3.334 25.782 1.00 61.53 H new ATOM 0 HZ3 LYS A 3 12.668 -4.845 25.707 1.00 61.53 H new ATOM 57 N LYS A 4 12.233 -3.788 20.302 1.00 65.03 N ATOM 58 CA LYS A 4 12.651 -3.135 19.054 1.00 54.10 C ATOM 59 C LYS A 4 12.408 -4.064 17.870 1.00 3.13 C ATOM 60 O LYS A 4 12.161 -3.579 16.778 1.00 2.42 O ATOM 61 CB LYS A 4 14.133 -2.627 19.090 1.00 14.44 C ATOM 62 CG LYS A 4 15.251 -3.701 19.317 1.00 14.45 C ATOM 63 CD LYS A 4 16.315 -3.775 18.184 1.00 53.24 C ATOM 64 CE LYS A 4 15.749 -4.293 16.856 1.00 42.54 C ATOM 65 NZ LYS A 4 16.792 -4.420 15.796 1.00 3.11 N ATOM 0 H LYS A 4 13.005 -4.131 20.874 1.00 65.03 H new ATOM 0 HA LYS A 4 12.037 -2.242 18.937 1.00 54.10 H new ATOM 0 HB2 LYS A 4 14.339 -2.118 18.148 1.00 14.44 H new ATOM 0 HB3 LYS A 4 14.216 -1.881 19.880 1.00 14.44 H new ATOM 0 HG2 LYS A 4 15.756 -3.488 20.259 1.00 14.45 H new ATOM 0 HG3 LYS A 4 14.782 -4.679 19.422 1.00 14.45 H new ATOM 0 HD2 LYS A 4 16.740 -2.783 18.028 1.00 53.24 H new ATOM 0 HD3 LYS A 4 17.130 -4.425 18.502 1.00 53.24 H new ATOM 0 HE2 LYS A 4 15.282 -5.264 17.019 1.00 42.54 H new ATOM 0 HE3 LYS A 4 14.966 -3.617 16.511 1.00 42.54 H new ATOM 0 HZ1 LYS A 4 16.356 -4.774 14.921 1.00 3.11 H new ATOM 0 HZ2 LYS A 4 17.221 -3.490 15.618 1.00 3.11 H new ATOM 0 HZ3 LYS A 4 17.527 -5.086 16.110 1.00 3.11 H new ATOM 79 N LEU A 5 12.461 -5.403 18.100 1.00 34.34 N ATOM 80 CA LEU A 5 12.149 -6.404 17.051 1.00 55.22 C ATOM 81 C LEU A 5 10.739 -6.163 16.501 1.00 12.34 C ATOM 82 O LEU A 5 10.548 -6.114 15.281 1.00 5.24 O ATOM 83 CB LEU A 5 12.229 -7.864 17.576 1.00 65.43 C ATOM 84 CG LEU A 5 12.097 -8.960 16.465 1.00 24.42 C ATOM 85 CD1 LEU A 5 13.363 -9.007 15.590 1.00 42.22 C ATOM 86 CD2 LEU A 5 11.746 -10.344 17.045 1.00 43.30 C ATOM 0 H LEU A 5 12.716 -5.810 19.000 1.00 34.34 H new ATOM 0 HA LEU A 5 12.899 -6.281 16.269 1.00 55.22 H new ATOM 0 HB2 LEU A 5 13.179 -8.000 18.092 1.00 65.43 H new ATOM 0 HB3 LEU A 5 11.441 -8.015 18.314 1.00 65.43 H new ATOM 0 HG LEU A 5 11.260 -8.678 15.827 1.00 24.42 H new ATOM 0 HD11 LEU A 5 13.249 -9.775 14.825 1.00 42.22 H new ATOM 0 HD12 LEU A 5 13.511 -8.039 15.112 1.00 42.22 H new ATOM 0 HD13 LEU A 5 14.227 -9.240 16.212 1.00 42.22 H new ATOM 0 HD21 LEU A 5 11.666 -11.068 16.235 1.00 43.30 H new ATOM 0 HD22 LEU A 5 12.528 -10.658 17.736 1.00 43.30 H new ATOM 0 HD23 LEU A 5 10.795 -10.286 17.575 1.00 43.30 H new ATOM 98 N TYR A 6 9.770 -6.005 17.439 1.00 3.11 N ATOM 99 CA TYR A 6 8.376 -5.678 17.107 1.00 53.54 C ATOM 100 C TYR A 6 8.332 -4.412 16.245 1.00 11.42 C ATOM 101 O TYR A 6 7.824 -4.435 15.133 1.00 31.35 O ATOM 102 CB TYR A 6 7.524 -5.505 18.407 1.00 43.31 C ATOM 103 CG TYR A 6 6.005 -5.595 18.175 1.00 13.22 C ATOM 104 CD1 TYR A 6 5.304 -6.793 18.392 1.00 25.11 C ATOM 105 CD2 TYR A 6 5.264 -4.498 17.716 1.00 33.12 C ATOM 106 CE1 TYR A 6 3.943 -6.887 18.152 1.00 5.31 C ATOM 107 CE2 TYR A 6 3.903 -4.591 17.484 1.00 61.24 C ATOM 108 CZ TYR A 6 3.247 -5.784 17.702 1.00 71.43 C ATOM 109 OH TYR A 6 1.890 -5.874 17.458 1.00 44.12 O ATOM 0 H TYR A 6 9.941 -6.102 18.440 1.00 3.11 H new ATOM 0 HA TYR A 6 7.944 -6.501 16.537 1.00 53.54 H new ATOM 0 HB2 TYR A 6 7.818 -6.270 19.126 1.00 43.31 H new ATOM 0 HB3 TYR A 6 7.756 -4.539 18.856 1.00 43.31 H new ATOM 0 HD1 TYR A 6 5.838 -7.659 18.754 1.00 25.11 H new ATOM 0 HD2 TYR A 6 5.766 -3.558 17.539 1.00 33.12 H new ATOM 0 HE1 TYR A 6 3.428 -7.822 18.317 1.00 5.31 H new ATOM 0 HE2 TYR A 6 3.355 -3.729 17.132 1.00 61.24 H new ATOM 0 HH TYR A 6 1.555 -5.007 17.148 1.00 44.12 H new ATOM 119 N GLU A 7 8.980 -3.361 16.752 1.00 32.22 N ATOM 120 CA GLU A 7 8.945 -2.016 16.172 1.00 33.42 C ATOM 121 C GLU A 7 9.599 -1.932 14.778 1.00 21.34 C ATOM 122 O GLU A 7 9.144 -1.153 13.953 1.00 41.45 O ATOM 123 CB GLU A 7 9.627 -1.034 17.150 1.00 21.33 C ATOM 124 CG GLU A 7 8.904 -0.869 18.507 1.00 41.20 C ATOM 125 CD GLU A 7 7.467 -0.313 18.401 1.00 60.24 C ATOM 126 OE1 GLU A 7 6.516 -1.101 18.170 1.00 74.13 O ATOM 127 OE2 GLU A 7 7.276 0.917 18.561 1.00 44.01 O ATOM 0 H GLU A 7 9.554 -3.422 17.593 1.00 32.22 H new ATOM 0 HA GLU A 7 7.899 -1.748 16.025 1.00 33.42 H new ATOM 0 HB2 GLU A 7 10.645 -1.375 17.335 1.00 21.33 H new ATOM 0 HB3 GLU A 7 9.700 -0.057 16.671 1.00 21.33 H new ATOM 0 HG2 GLU A 7 8.870 -1.837 19.007 1.00 41.20 H new ATOM 0 HG3 GLU A 7 9.492 -0.204 19.140 1.00 41.20 H new ATOM 134 N GLN A 8 10.666 -2.719 14.529 1.00 44.42 N ATOM 135 CA GLN A 8 11.397 -2.683 13.234 1.00 1.33 C ATOM 136 C GLN A 8 10.544 -3.264 12.107 1.00 74.24 C ATOM 137 O GLN A 8 10.341 -2.591 11.086 1.00 21.02 O ATOM 138 CB GLN A 8 12.769 -3.415 13.283 1.00 44.35 C ATOM 139 CG GLN A 8 13.796 -2.852 14.296 1.00 45.13 C ATOM 140 CD GLN A 8 13.726 -1.334 14.491 1.00 35.33 C ATOM 141 OE1 GLN A 8 14.414 -0.564 13.825 1.00 44.12 O ATOM 142 NE2 GLN A 8 12.884 -0.899 15.422 1.00 71.31 N ATOM 0 H GLN A 8 11.044 -3.387 15.201 1.00 44.42 H new ATOM 0 HA GLN A 8 11.599 -1.630 13.036 1.00 1.33 H new ATOM 0 HB2 GLN A 8 12.592 -4.464 13.519 1.00 44.35 H new ATOM 0 HB3 GLN A 8 13.213 -3.383 12.288 1.00 44.35 H new ATOM 0 HG2 GLN A 8 13.641 -3.337 15.260 1.00 45.13 H new ATOM 0 HG3 GLN A 8 14.799 -3.117 13.963 1.00 45.13 H new ATOM 0 HE21 GLN A 8 12.327 -1.565 15.957 1.00 71.31 H new ATOM 0 HE22 GLN A 8 12.794 0.101 15.601 1.00 71.31 H new ATOM 151 N ILE A 9 10.053 -4.526 12.287 1.00 71.30 N ATOM 152 CA ILE A 9 9.161 -5.153 11.293 1.00 53.52 C ATOM 153 C ILE A 9 7.895 -4.295 11.104 1.00 71.03 C ATOM 154 O ILE A 9 7.480 -4.047 9.990 1.00 65.42 O ATOM 155 CB ILE A 9 8.656 -6.591 11.674 1.00 40.04 C ATOM 156 CG1 ILE A 9 9.702 -7.436 12.437 1.00 21.14 C ATOM 157 CG2 ILE A 9 8.184 -7.348 10.401 1.00 34.45 C ATOM 158 CD1 ILE A 9 9.094 -8.697 13.024 1.00 43.43 C ATOM 0 H ILE A 9 10.261 -5.110 13.097 1.00 71.30 H new ATOM 0 HA ILE A 9 9.772 -5.228 10.393 1.00 53.52 H new ATOM 0 HB ILE A 9 7.820 -6.449 12.358 1.00 40.04 H new ATOM 0 HG12 ILE A 9 10.514 -7.705 11.761 1.00 21.14 H new ATOM 0 HG13 ILE A 9 10.138 -6.837 13.237 1.00 21.14 H new ATOM 0 HG21 ILE A 9 7.836 -8.343 10.678 1.00 34.45 H new ATOM 0 HG22 ILE A 9 7.370 -6.797 9.931 1.00 34.45 H new ATOM 0 HG23 ILE A 9 9.015 -7.435 9.701 1.00 34.45 H new ATOM 0 HD11 ILE A 9 9.864 -9.261 13.551 1.00 43.43 H new ATOM 0 HD12 ILE A 9 8.300 -8.428 13.721 1.00 43.43 H new ATOM 0 HD13 ILE A 9 8.681 -9.309 12.222 1.00 43.43 H new ATOM 170 N LEU A 10 7.298 -3.885 12.249 1.00 22.11 N ATOM 171 CA LEU A 10 6.011 -3.148 12.311 1.00 42.23 C ATOM 172 C LEU A 10 6.138 -1.755 11.665 1.00 64.04 C ATOM 173 O LEU A 10 5.172 -1.254 11.106 1.00 43.41 O ATOM 174 CB LEU A 10 5.507 -3.063 13.797 1.00 31.11 C ATOM 175 CG LEU A 10 3.966 -2.870 14.069 1.00 71.10 C ATOM 176 CD1 LEU A 10 3.463 -1.446 13.753 1.00 62.21 C ATOM 177 CD2 LEU A 10 3.132 -3.944 13.328 1.00 24.23 C ATOM 0 H LEU A 10 7.702 -4.059 13.169 1.00 22.11 H new ATOM 0 HA LEU A 10 5.265 -3.696 11.736 1.00 42.23 H new ATOM 0 HB2 LEU A 10 5.819 -3.976 14.304 1.00 31.11 H new ATOM 0 HB3 LEU A 10 6.032 -2.237 14.276 1.00 31.11 H new ATOM 0 HG LEU A 10 3.825 -3.004 15.141 1.00 71.10 H new ATOM 0 HD11 LEU A 10 2.395 -1.383 13.962 1.00 62.21 H new ATOM 0 HD12 LEU A 10 3.998 -0.726 14.372 1.00 62.21 H new ATOM 0 HD13 LEU A 10 3.640 -1.223 12.701 1.00 62.21 H new ATOM 0 HD21 LEU A 10 2.073 -3.788 13.533 1.00 24.23 H new ATOM 0 HD22 LEU A 10 3.309 -3.866 12.255 1.00 24.23 H new ATOM 0 HD23 LEU A 10 3.426 -4.935 13.673 1.00 24.23 H new ATOM 189 N ALA A 11 7.332 -1.144 11.729 1.00 1.42 N ATOM 190 CA ALA A 11 7.600 0.149 11.063 1.00 21.20 C ATOM 191 C ALA A 11 7.626 -0.031 9.541 1.00 1.24 C ATOM 192 O ALA A 11 7.105 0.807 8.802 1.00 42.21 O ATOM 193 CB ALA A 11 8.913 0.758 11.562 1.00 31.20 C ATOM 0 H ALA A 11 8.132 -1.523 12.236 1.00 1.42 H new ATOM 0 HA ALA A 11 6.795 0.839 11.315 1.00 21.20 H new ATOM 0 HB1 ALA A 11 9.088 1.708 11.058 1.00 31.20 H new ATOM 0 HB2 ALA A 11 8.852 0.924 12.638 1.00 31.20 H new ATOM 0 HB3 ALA A 11 9.735 0.076 11.347 1.00 31.20 H new ATOM 199 N GLU A 12 8.225 -1.152 9.097 1.00 3.45 N ATOM 200 CA GLU A 12 8.278 -1.540 7.676 1.00 34.52 C ATOM 201 C GLU A 12 6.888 -2.031 7.195 1.00 3.11 C ATOM 202 O GLU A 12 6.517 -1.835 6.047 1.00 41.40 O ATOM 203 CB GLU A 12 9.329 -2.665 7.487 1.00 42.53 C ATOM 204 CG GLU A 12 9.676 -2.992 6.017 1.00 12.41 C ATOM 205 CD GLU A 12 10.473 -1.886 5.299 1.00 45.02 C ATOM 206 OE1 GLU A 12 11.477 -1.393 5.869 1.00 43.43 O ATOM 207 OE2 GLU A 12 10.135 -1.540 4.149 1.00 31.22 O ATOM 0 H GLU A 12 8.688 -1.817 9.717 1.00 3.45 H new ATOM 0 HA GLU A 12 8.562 -0.671 7.082 1.00 34.52 H new ATOM 0 HB2 GLU A 12 10.244 -2.378 8.006 1.00 42.53 H new ATOM 0 HB3 GLU A 12 8.960 -3.571 7.968 1.00 42.53 H new ATOM 0 HG2 GLU A 12 10.251 -3.917 5.988 1.00 12.41 H new ATOM 0 HG3 GLU A 12 8.752 -3.174 5.468 1.00 12.41 H new ATOM 214 N ASN A 13 6.138 -2.643 8.125 1.00 64.41 N ATOM 215 CA ASN A 13 4.818 -3.267 7.874 1.00 4.42 C ATOM 216 C ASN A 13 3.766 -2.163 7.696 1.00 53.54 C ATOM 217 O ASN A 13 2.949 -2.201 6.777 1.00 54.15 O ATOM 218 CB ASN A 13 4.457 -4.187 9.079 1.00 52.41 C ATOM 219 CG ASN A 13 3.178 -5.005 8.897 1.00 20.03 C ATOM 220 OD1 ASN A 13 3.307 -6.265 8.495 1.00 74.44 O flip ATOM 221 ND2 ASN A 13 2.079 -4.523 9.154 1.00 62.15 N flip ATOM 0 H ASN A 13 6.435 -2.723 9.098 1.00 64.41 H new ATOM 0 HA ASN A 13 4.846 -3.871 6.967 1.00 4.42 H new ATOM 0 HB2 ASN A 13 5.287 -4.871 9.258 1.00 52.41 H new ATOM 0 HB3 ASN A 13 4.354 -3.570 9.972 1.00 52.41 H new ATOM 0 HD21 ASN A 13 2.007 -3.553 9.461 1.00 62.15 H new ATOM 0 HD22 ASN A 13 1.238 -5.092 9.061 1.00 62.15 H new ATOM 228 N GLU A 14 3.842 -1.167 8.591 1.00 45.41 N ATOM 229 CA GLU A 14 3.014 0.041 8.545 1.00 51.12 C ATOM 230 C GLU A 14 3.365 0.868 7.305 1.00 61.51 C ATOM 231 O GLU A 14 2.472 1.411 6.655 1.00 74.35 O ATOM 232 CB GLU A 14 3.183 0.883 9.855 1.00 1.12 C ATOM 233 CG GLU A 14 3.057 2.411 9.652 1.00 4.34 C ATOM 234 CD GLU A 14 2.673 3.187 10.920 1.00 41.41 C ATOM 235 OE1 GLU A 14 1.455 3.258 11.230 1.00 62.11 O ATOM 236 OE2 GLU A 14 3.564 3.734 11.606 1.00 33.11 O ATOM 0 H GLU A 14 4.491 -1.181 9.378 1.00 45.41 H new ATOM 0 HA GLU A 14 1.967 -0.253 8.478 1.00 51.12 H new ATOM 0 HB2 GLU A 14 2.434 0.562 10.578 1.00 1.12 H new ATOM 0 HB3 GLU A 14 4.159 0.665 10.289 1.00 1.12 H new ATOM 0 HG2 GLU A 14 4.006 2.796 9.278 1.00 4.34 H new ATOM 0 HG3 GLU A 14 2.310 2.603 8.882 1.00 4.34 H new ATOM 243 N LYS A 15 4.676 0.992 7.027 1.00 23.34 N ATOM 244 CA LYS A 15 5.173 1.648 5.811 1.00 74.14 C ATOM 245 C LYS A 15 4.510 1.039 4.557 1.00 13.04 C ATOM 246 O LYS A 15 3.981 1.769 3.719 1.00 13.30 O ATOM 247 CB LYS A 15 6.714 1.504 5.685 1.00 31.34 C ATOM 248 CG LYS A 15 7.351 2.369 4.555 1.00 14.43 C ATOM 249 CD LYS A 15 8.475 1.660 3.761 1.00 1.32 C ATOM 250 CE LYS A 15 7.936 0.601 2.784 1.00 61.34 C ATOM 251 NZ LYS A 15 9.037 -0.011 1.981 1.00 34.30 N ATOM 0 H LYS A 15 5.414 0.641 7.637 1.00 23.34 H new ATOM 0 HA LYS A 15 4.919 2.705 5.885 1.00 74.14 H new ATOM 0 HB2 LYS A 15 7.171 1.777 6.636 1.00 31.34 H new ATOM 0 HB3 LYS A 15 6.955 0.457 5.504 1.00 31.34 H new ATOM 0 HG2 LYS A 15 6.567 2.671 3.860 1.00 14.43 H new ATOM 0 HG3 LYS A 15 7.754 3.281 4.996 1.00 14.43 H new ATOM 0 HD2 LYS A 15 9.046 2.404 3.205 1.00 1.32 H new ATOM 0 HD3 LYS A 15 9.164 1.186 4.460 1.00 1.32 H new ATOM 0 HE2 LYS A 15 7.414 -0.177 3.341 1.00 61.34 H new ATOM 0 HE3 LYS A 15 7.207 1.058 2.115 1.00 61.34 H new ATOM 0 HZ1 LYS A 15 8.631 -0.564 1.200 1.00 34.30 H new ATOM 0 HZ2 LYS A 15 9.644 0.740 1.594 1.00 34.30 H new ATOM 0 HZ3 LYS A 15 9.604 -0.635 2.589 1.00 34.30 H new ATOM 265 N LEU A 16 4.527 -0.314 4.485 1.00 45.12 N ATOM 266 CA LEU A 16 3.932 -1.082 3.373 1.00 43.24 C ATOM 267 C LEU A 16 2.398 -0.926 3.338 1.00 31.05 C ATOM 268 O LEU A 16 1.785 -0.980 2.271 1.00 12.02 O ATOM 269 CB LEU A 16 4.343 -2.579 3.450 1.00 55.02 C ATOM 270 CG LEU A 16 5.853 -2.883 3.182 1.00 61.50 C ATOM 271 CD1 LEU A 16 6.182 -4.372 3.400 1.00 12.20 C ATOM 272 CD2 LEU A 16 6.279 -2.431 1.778 1.00 72.25 C ATOM 0 H LEU A 16 4.956 -0.902 5.200 1.00 45.12 H new ATOM 0 HA LEU A 16 4.323 -0.674 2.441 1.00 43.24 H new ATOM 0 HB2 LEU A 16 4.086 -2.957 4.439 1.00 55.02 H new ATOM 0 HB3 LEU A 16 3.746 -3.138 2.730 1.00 55.02 H new ATOM 0 HG LEU A 16 6.426 -2.306 3.908 1.00 61.50 H new ATOM 0 HD11 LEU A 16 7.240 -4.543 3.204 1.00 12.20 H new ATOM 0 HD12 LEU A 16 5.954 -4.648 4.430 1.00 12.20 H new ATOM 0 HD13 LEU A 16 5.584 -4.980 2.721 1.00 12.20 H new ATOM 0 HD21 LEU A 16 7.334 -2.658 1.627 1.00 72.25 H new ATOM 0 HD22 LEU A 16 5.684 -2.956 1.031 1.00 72.25 H new ATOM 0 HD23 LEU A 16 6.121 -1.357 1.678 1.00 72.25 H new ATOM 284 N LYS A 17 1.793 -0.709 4.514 1.00 72.21 N ATOM 285 CA LYS A 17 0.352 -0.424 4.641 1.00 55.21 C ATOM 286 C LYS A 17 0.029 1.009 4.145 1.00 63.14 C ATOM 287 O LYS A 17 -1.033 1.247 3.556 1.00 62.04 O ATOM 288 CB LYS A 17 -0.091 -0.691 6.114 1.00 73.31 C ATOM 289 CG LYS A 17 -1.512 -0.196 6.537 1.00 72.25 C ATOM 290 CD LYS A 17 -1.507 1.213 7.204 1.00 23.20 C ATOM 291 CE LYS A 17 -0.547 1.287 8.408 1.00 63.43 C ATOM 292 NZ LYS A 17 -0.614 2.596 9.117 1.00 5.21 N ATOM 0 H LYS A 17 2.287 -0.726 5.406 1.00 72.21 H new ATOM 0 HA LYS A 17 -0.226 -1.091 4.001 1.00 55.21 H new ATOM 0 HB2 LYS A 17 -0.042 -1.765 6.291 1.00 73.31 H new ATOM 0 HB3 LYS A 17 0.639 -0.225 6.775 1.00 73.31 H new ATOM 0 HG2 LYS A 17 -2.156 -0.171 5.658 1.00 72.25 H new ATOM 0 HG3 LYS A 17 -1.947 -0.916 7.230 1.00 72.25 H new ATOM 0 HD2 LYS A 17 -1.218 1.961 6.466 1.00 23.20 H new ATOM 0 HD3 LYS A 17 -2.517 1.461 7.531 1.00 23.20 H new ATOM 0 HE2 LYS A 17 -0.786 0.487 9.108 1.00 63.43 H new ATOM 0 HE3 LYS A 17 0.473 1.116 8.065 1.00 63.43 H new ATOM 0 HZ1 LYS A 17 0.163 2.658 9.806 1.00 5.21 H new ATOM 0 HZ2 LYS A 17 -0.527 3.369 8.427 1.00 5.21 H new ATOM 0 HZ3 LYS A 17 -1.524 2.676 9.613 1.00 5.21 H new ATOM 306 N ALA A 18 0.982 1.936 4.342 1.00 23.33 N ATOM 307 CA ALA A 18 0.816 3.359 3.986 1.00 2.44 C ATOM 308 C ALA A 18 0.897 3.539 2.461 1.00 34.41 C ATOM 309 O ALA A 18 0.004 4.135 1.854 1.00 74.14 O ATOM 310 CB ALA A 18 1.883 4.212 4.700 1.00 21.43 C ATOM 0 H ALA A 18 1.891 1.721 4.753 1.00 23.33 H new ATOM 0 HA ALA A 18 -0.167 3.696 4.315 1.00 2.44 H new ATOM 0 HB1 ALA A 18 1.751 5.260 4.430 1.00 21.43 H new ATOM 0 HB2 ALA A 18 1.777 4.099 5.779 1.00 21.43 H new ATOM 0 HB3 ALA A 18 2.876 3.881 4.396 1.00 21.43 H new ATOM 316 N GLN A 19 1.963 2.979 1.855 1.00 23.52 N ATOM 317 CA GLN A 19 2.194 3.052 0.403 1.00 5.31 C ATOM 318 C GLN A 19 1.135 2.266 -0.373 1.00 32.21 C ATOM 319 O GLN A 19 0.755 2.689 -1.463 1.00 43.23 O ATOM 320 CB GLN A 19 3.626 2.561 0.053 1.00 54.32 C ATOM 321 CG GLN A 19 4.034 1.204 0.678 1.00 61.22 C ATOM 322 CD GLN A 19 4.057 0.001 -0.277 1.00 73.21 C ATOM 323 OE1 GLN A 19 5.047 -0.240 -0.966 1.00 62.12 O ATOM 324 NE2 GLN A 19 2.998 -0.805 -0.260 1.00 51.24 N ATOM 0 H GLN A 19 2.685 2.465 2.359 1.00 23.52 H new ATOM 0 HA GLN A 19 2.108 4.096 0.101 1.00 5.31 H new ATOM 0 HB2 GLN A 19 3.710 2.482 -1.031 1.00 54.32 H new ATOM 0 HB3 GLN A 19 4.340 3.319 0.374 1.00 54.32 H new ATOM 0 HG2 GLN A 19 5.026 1.313 1.117 1.00 61.22 H new ATOM 0 HG3 GLN A 19 3.347 0.981 1.494 1.00 61.22 H new ATOM 0 HE21 GLN A 19 2.193 -0.577 0.323 1.00 51.24 H new ATOM 0 HE22 GLN A 19 2.992 -1.651 -0.829 1.00 51.24 H new ATOM 333 N LEU A 20 0.656 1.121 0.192 1.00 33.55 N ATOM 334 CA LEU A 20 -0.434 0.346 -0.446 1.00 15.51 C ATOM 335 C LEU A 20 -1.699 1.202 -0.482 1.00 22.12 C ATOM 336 O LEU A 20 -2.384 1.234 -1.494 1.00 75.41 O ATOM 337 CB LEU A 20 -0.690 -1.047 0.245 1.00 75.44 C ATOM 338 CG LEU A 20 -1.835 -1.205 1.341 1.00 40.33 C ATOM 339 CD1 LEU A 20 -3.243 -1.420 0.723 1.00 11.11 C ATOM 340 CD2 LEU A 20 -1.533 -2.357 2.318 1.00 53.32 C ATOM 0 H LEU A 20 1.001 0.726 1.067 1.00 33.55 H new ATOM 0 HA LEU A 20 -0.127 0.106 -1.464 1.00 15.51 H new ATOM 0 HB2 LEU A 20 -0.901 -1.766 -0.547 1.00 75.44 H new ATOM 0 HB3 LEU A 20 0.247 -1.352 0.711 1.00 75.44 H new ATOM 0 HG LEU A 20 -1.845 -0.260 1.884 1.00 40.33 H new ATOM 0 HD11 LEU A 20 -3.979 -1.521 1.521 1.00 11.11 H new ATOM 0 HD12 LEU A 20 -3.500 -0.565 0.098 1.00 11.11 H new ATOM 0 HD13 LEU A 20 -3.240 -2.325 0.116 1.00 11.11 H new ATOM 0 HD21 LEU A 20 -2.337 -2.433 3.050 1.00 53.32 H new ATOM 0 HD22 LEU A 20 -1.457 -3.293 1.765 1.00 53.32 H new ATOM 0 HD23 LEU A 20 -0.592 -2.161 2.831 1.00 53.32 H new ATOM 352 N HIS A 21 -1.966 1.919 0.635 1.00 1.43 N ATOM 353 CA HIS A 21 -3.161 2.763 0.776 1.00 54.40 C ATOM 354 C HIS A 21 -3.189 3.835 -0.324 1.00 0.45 C ATOM 355 O HIS A 21 -4.187 3.963 -1.022 1.00 42.42 O ATOM 356 CB HIS A 21 -3.232 3.411 2.182 1.00 53.14 C ATOM 357 CG HIS A 21 -4.417 4.324 2.364 1.00 15.45 C ATOM 358 ND1 HIS A 21 -4.301 5.684 2.517 1.00 2.24 N ATOM 359 CD2 HIS A 21 -5.749 4.063 2.384 1.00 23.40 C ATOM 360 CE1 HIS A 21 -5.498 6.218 2.630 1.00 24.02 C ATOM 361 NE2 HIS A 21 -6.393 5.258 2.548 1.00 31.33 N ATOM 0 H HIS A 21 -1.359 1.924 1.455 1.00 1.43 H new ATOM 0 HA HIS A 21 -4.040 2.128 0.664 1.00 54.40 H new ATOM 0 HB2 HIS A 21 -3.271 2.624 2.935 1.00 53.14 H new ATOM 0 HB3 HIS A 21 -2.317 3.976 2.359 1.00 53.14 H new ATOM 0 HD2 HIS A 21 -6.213 3.093 2.288 1.00 23.40 H new ATOM 0 HE1 HIS A 21 -5.710 7.268 2.767 1.00 24.02 H new ATOM 0 HE2 HIS A 21 -7.404 5.384 2.599 1.00 31.33 H new ATOM 370 N ASP A 22 -2.060 4.556 -0.483 1.00 13.32 N ATOM 371 CA ASP A 22 -1.889 5.568 -1.550 1.00 2.11 C ATOM 372 C ASP A 22 -2.061 4.948 -2.940 1.00 65.24 C ATOM 373 O ASP A 22 -2.729 5.531 -3.794 1.00 34.40 O ATOM 374 CB ASP A 22 -0.505 6.264 -1.440 1.00 53.52 C ATOM 375 CG ASP A 22 -0.458 7.280 -0.293 1.00 20.32 C ATOM 376 OD1 ASP A 22 -0.646 8.496 -0.537 1.00 33.12 O ATOM 377 OD2 ASP A 22 -0.287 6.863 0.866 1.00 15.03 O ATOM 0 H ASP A 22 -1.244 4.455 0.121 1.00 13.32 H new ATOM 0 HA ASP A 22 -2.667 6.319 -1.414 1.00 2.11 H new ATOM 0 HB2 ASP A 22 0.268 5.510 -1.288 1.00 53.52 H new ATOM 0 HB3 ASP A 22 -0.278 6.768 -2.379 1.00 53.52 H new ATOM 382 N THR A 23 -1.473 3.746 -3.131 1.00 70.21 N ATOM 383 CA THR A 23 -1.530 3.014 -4.409 1.00 72.23 C ATOM 384 C THR A 23 -2.979 2.569 -4.743 1.00 25.33 C ATOM 385 O THR A 23 -3.353 2.516 -5.908 1.00 14.53 O ATOM 386 CB THR A 23 -0.556 1.787 -4.426 1.00 25.55 C ATOM 387 OG1 THR A 23 0.788 2.229 -4.163 1.00 1.44 O ATOM 388 CG2 THR A 23 -0.580 1.049 -5.779 1.00 44.03 C ATOM 0 H THR A 23 -0.948 3.260 -2.404 1.00 70.21 H new ATOM 0 HA THR A 23 -1.200 3.706 -5.183 1.00 72.23 H new ATOM 0 HB THR A 23 -0.891 1.096 -3.653 1.00 25.55 H new ATOM 0 HG1 THR A 23 0.853 2.547 -3.238 1.00 1.44 H new ATOM 0 HG21 THR A 23 0.110 0.206 -5.746 1.00 44.03 H new ATOM 0 HG22 THR A 23 -1.588 0.685 -5.977 1.00 44.03 H new ATOM 0 HG23 THR A 23 -0.279 1.733 -6.572 1.00 44.03 H new ATOM 396 N ASN A 24 -3.781 2.285 -3.700 1.00 63.42 N ATOM 397 CA ASN A 24 -5.204 1.895 -3.843 1.00 61.41 C ATOM 398 C ASN A 24 -6.062 3.123 -4.194 1.00 45.23 C ATOM 399 O ASN A 24 -6.975 3.020 -5.014 1.00 64.34 O ATOM 400 CB ASN A 24 -5.721 1.195 -2.541 1.00 30.41 C ATOM 401 CG ASN A 24 -5.493 -0.327 -2.530 1.00 14.34 C ATOM 402 OD1 ASN A 24 -6.413 -1.107 -2.772 1.00 23.55 O ATOM 403 ND2 ASN A 24 -4.256 -0.759 -2.347 1.00 15.44 N ATOM 0 H ASN A 24 -3.464 2.318 -2.731 1.00 63.42 H new ATOM 0 HA ASN A 24 -5.288 1.178 -4.660 1.00 61.41 H new ATOM 0 HB2 ASN A 24 -5.221 1.635 -1.678 1.00 30.41 H new ATOM 0 HB3 ASN A 24 -6.786 1.396 -2.429 1.00 30.41 H new ATOM 0 HD21 ASN A 24 -4.050 -1.756 -2.406 1.00 15.44 H new ATOM 0 HD22 ASN A 24 -3.508 -0.095 -2.147 1.00 15.44 H new ATOM 410 N MET A 25 -5.748 4.282 -3.575 1.00 65.12 N ATOM 411 CA MET A 25 -6.449 5.553 -3.837 1.00 52.30 C ATOM 412 C MET A 25 -6.212 6.027 -5.284 1.00 60.43 C ATOM 413 O MET A 25 -7.154 6.430 -5.971 1.00 0.33 O ATOM 414 CB MET A 25 -5.979 6.639 -2.834 1.00 60.42 C ATOM 415 CG MET A 25 -6.220 6.291 -1.357 1.00 24.02 C ATOM 416 SD MET A 25 -7.966 6.186 -0.893 1.00 63.32 S ATOM 417 CE MET A 25 -8.557 7.844 -1.223 1.00 31.52 C ATOM 0 H MET A 25 -5.003 4.360 -2.882 1.00 65.12 H new ATOM 0 HA MET A 25 -7.518 5.386 -3.705 1.00 52.30 H new ATOM 0 HB2 MET A 25 -4.914 6.816 -2.983 1.00 60.42 H new ATOM 0 HB3 MET A 25 -6.493 7.573 -3.062 1.00 60.42 H new ATOM 0 HG2 MET A 25 -5.740 5.338 -1.137 1.00 24.02 H new ATOM 0 HG3 MET A 25 -5.735 7.043 -0.735 1.00 24.02 H new ATOM 0 HE1 MET A 25 -9.531 7.983 -0.755 1.00 31.52 H new ATOM 0 HE2 MET A 25 -7.852 8.569 -0.816 1.00 31.52 H new ATOM 0 HE3 MET A 25 -8.647 7.991 -2.299 1.00 31.52 H new ATOM 427 N GLU A 26 -4.944 5.961 -5.736 1.00 73.35 N ATOM 428 CA GLU A 26 -4.567 6.368 -7.101 1.00 2.54 C ATOM 429 C GLU A 26 -4.978 5.302 -8.124 1.00 50.33 C ATOM 430 O GLU A 26 -5.156 5.623 -9.298 1.00 13.21 O ATOM 431 CB GLU A 26 -3.054 6.690 -7.193 1.00 24.00 C ATOM 432 CG GLU A 26 -2.125 5.518 -6.877 1.00 10.33 C ATOM 433 CD GLU A 26 -0.634 5.878 -6.932 1.00 71.40 C ATOM 434 OE1 GLU A 26 -0.111 6.098 -8.041 1.00 55.01 O ATOM 435 OE2 GLU A 26 0.023 5.934 -5.870 1.00 62.41 O ATOM 0 H GLU A 26 -4.162 5.628 -5.172 1.00 73.35 H new ATOM 0 HA GLU A 26 -5.109 7.283 -7.341 1.00 2.54 H new ATOM 0 HB2 GLU A 26 -2.834 7.048 -8.199 1.00 24.00 H new ATOM 0 HB3 GLU A 26 -2.829 7.507 -6.508 1.00 24.00 H new ATOM 0 HG2 GLU A 26 -2.361 5.137 -5.883 1.00 10.33 H new ATOM 0 HG3 GLU A 26 -2.321 4.711 -7.583 1.00 10.33 H new ATOM 442 N LEU A 27 -5.128 4.029 -7.680 1.00 63.12 N ATOM 443 CA LEU A 27 -5.735 2.975 -8.502 1.00 72.02 C ATOM 444 C LEU A 27 -7.201 3.366 -8.765 1.00 74.32 C ATOM 445 O LEU A 27 -7.654 3.285 -9.891 1.00 71.42 O ATOM 446 CB LEU A 27 -5.593 1.590 -7.792 1.00 20.43 C ATOM 447 CG LEU A 27 -5.922 0.281 -8.615 1.00 15.22 C ATOM 448 CD1 LEU A 27 -5.295 -0.963 -7.952 1.00 53.43 C ATOM 449 CD2 LEU A 27 -7.438 0.053 -8.815 1.00 4.31 C ATOM 0 H LEU A 27 -4.834 3.716 -6.755 1.00 63.12 H new ATOM 0 HA LEU A 27 -5.226 2.878 -9.461 1.00 72.02 H new ATOM 0 HB2 LEU A 27 -4.567 1.506 -7.432 1.00 20.43 H new ATOM 0 HB3 LEU A 27 -6.239 1.600 -6.914 1.00 20.43 H new ATOM 0 HG LEU A 27 -5.482 0.432 -9.601 1.00 15.22 H new ATOM 0 HD11 LEU A 27 -5.537 -1.849 -8.539 1.00 53.43 H new ATOM 0 HD12 LEU A 27 -4.213 -0.844 -7.905 1.00 53.43 H new ATOM 0 HD13 LEU A 27 -5.692 -1.077 -6.943 1.00 53.43 H new ATOM 0 HD21 LEU A 27 -7.596 -0.861 -9.387 1.00 4.31 H new ATOM 0 HD22 LEU A 27 -7.923 -0.038 -7.843 1.00 4.31 H new ATOM 0 HD23 LEU A 27 -7.865 0.898 -9.356 1.00 4.31 H new ATOM 461 N THR A 28 -7.902 3.858 -7.713 1.00 64.02 N ATOM 462 CA THR A 28 -9.313 4.293 -7.808 1.00 33.13 C ATOM 463 C THR A 28 -9.458 5.526 -8.730 1.00 54.34 C ATOM 464 O THR A 28 -10.410 5.616 -9.506 1.00 61.11 O ATOM 465 CB THR A 28 -9.890 4.638 -6.394 1.00 11.43 C ATOM 466 OG1 THR A 28 -9.666 3.550 -5.485 1.00 1.42 O ATOM 467 CG2 THR A 28 -11.398 4.962 -6.437 1.00 74.21 C ATOM 0 H THR A 28 -7.504 3.963 -6.780 1.00 64.02 H new ATOM 0 HA THR A 28 -9.877 3.463 -8.234 1.00 33.13 H new ATOM 0 HB THR A 28 -9.365 5.529 -6.049 1.00 11.43 H new ATOM 0 HG1 THR A 28 -8.704 3.447 -5.328 1.00 1.42 H new ATOM 0 HG21 THR A 28 -11.749 5.194 -5.432 1.00 74.21 H new ATOM 0 HG22 THR A 28 -11.567 5.820 -7.088 1.00 74.21 H new ATOM 0 HG23 THR A 28 -11.944 4.101 -6.822 1.00 74.21 H new ATOM 475 N ASP A 29 -8.485 6.457 -8.629 1.00 53.11 N ATOM 476 CA ASP A 29 -8.461 7.694 -9.436 1.00 23.51 C ATOM 477 C ASP A 29 -8.354 7.331 -10.914 1.00 51.04 C ATOM 478 O ASP A 29 -9.239 7.673 -11.701 1.00 63.30 O ATOM 479 CB ASP A 29 -7.278 8.635 -9.049 1.00 23.43 C ATOM 480 CG ASP A 29 -7.084 9.794 -10.066 1.00 22.55 C ATOM 481 OD1 ASP A 29 -8.004 10.624 -10.208 1.00 3.11 O ATOM 482 OD2 ASP A 29 -6.021 9.867 -10.736 1.00 33.40 O ATOM 0 H ASP A 29 -7.697 6.372 -7.987 1.00 53.11 H new ATOM 0 HA ASP A 29 -9.387 8.233 -9.237 1.00 23.51 H new ATOM 0 HB2 ASP A 29 -7.458 9.052 -8.058 1.00 23.43 H new ATOM 0 HB3 ASP A 29 -6.359 8.052 -8.987 1.00 23.43 H new ATOM 487 N LEU A 30 -7.257 6.611 -11.247 1.00 11.45 N ATOM 488 CA LEU A 30 -6.954 6.167 -12.614 1.00 21.03 C ATOM 489 C LEU A 30 -8.147 5.416 -13.197 1.00 32.21 C ATOM 490 O LEU A 30 -8.681 5.850 -14.189 1.00 15.54 O ATOM 491 CB LEU A 30 -5.650 5.319 -12.637 1.00 33.43 C ATOM 492 CG LEU A 30 -4.333 6.131 -12.868 1.00 4.00 C ATOM 493 CD1 LEU A 30 -4.125 7.240 -11.815 1.00 1.15 C ATOM 494 CD2 LEU A 30 -3.129 5.190 -12.923 1.00 52.43 C ATOM 0 H LEU A 30 -6.556 6.323 -10.564 1.00 11.45 H new ATOM 0 HA LEU A 30 -6.776 7.037 -13.246 1.00 21.03 H new ATOM 0 HB2 LEU A 30 -5.567 4.783 -11.691 1.00 33.43 H new ATOM 0 HB3 LEU A 30 -5.738 4.568 -13.422 1.00 33.43 H new ATOM 0 HG LEU A 30 -4.430 6.635 -13.830 1.00 4.00 H new ATOM 0 HD11 LEU A 30 -3.196 7.771 -12.024 1.00 1.15 H new ATOM 0 HD12 LEU A 30 -4.960 7.940 -11.854 1.00 1.15 H new ATOM 0 HD13 LEU A 30 -4.072 6.794 -10.822 1.00 1.15 H new ATOM 0 HD21 LEU A 30 -2.221 5.770 -13.084 1.00 52.43 H new ATOM 0 HD22 LEU A 30 -3.049 4.646 -11.982 1.00 52.43 H new ATOM 0 HD23 LEU A 30 -3.257 4.482 -13.742 1.00 52.43 H new ATOM 506 N LYS A 31 -8.607 4.388 -12.473 1.00 15.30 N ATOM 507 CA LYS A 31 -9.775 3.547 -12.808 1.00 20.52 C ATOM 508 C LYS A 31 -11.002 4.389 -13.231 1.00 23.33 C ATOM 509 O LYS A 31 -11.527 4.229 -14.352 1.00 54.40 O ATOM 510 CB LYS A 31 -10.090 2.710 -11.531 1.00 60.13 C ATOM 511 CG LYS A 31 -11.412 1.939 -11.502 1.00 43.11 C ATOM 512 CD LYS A 31 -11.468 0.807 -12.541 1.00 13.24 C ATOM 513 CE LYS A 31 -12.807 0.068 -12.536 1.00 31.43 C ATOM 514 NZ LYS A 31 -12.862 -0.945 -13.618 1.00 65.21 N ATOM 0 H LYS A 31 -8.161 4.103 -11.601 1.00 15.30 H new ATOM 0 HA LYS A 31 -9.548 2.909 -13.662 1.00 20.52 H new ATOM 0 HB2 LYS A 31 -9.280 1.995 -11.389 1.00 60.13 H new ATOM 0 HB3 LYS A 31 -10.074 3.384 -10.674 1.00 60.13 H new ATOM 0 HG2 LYS A 31 -11.560 1.520 -10.507 1.00 43.11 H new ATOM 0 HG3 LYS A 31 -12.234 2.631 -11.682 1.00 43.11 H new ATOM 0 HD2 LYS A 31 -11.290 1.221 -13.533 1.00 13.24 H new ATOM 0 HD3 LYS A 31 -10.665 0.097 -12.343 1.00 13.24 H new ATOM 0 HE2 LYS A 31 -12.954 -0.418 -11.571 1.00 31.43 H new ATOM 0 HE3 LYS A 31 -13.621 0.782 -12.661 1.00 31.43 H new ATOM 0 HZ1 LYS A 31 -13.781 -1.431 -13.592 1.00 65.21 H new ATOM 0 HZ2 LYS A 31 -12.745 -0.476 -14.539 1.00 65.21 H new ATOM 0 HZ3 LYS A 31 -12.099 -1.639 -13.483 1.00 65.21 H new ATOM 528 N LEU A 32 -11.387 5.321 -12.339 1.00 71.42 N ATOM 529 CA LEU A 32 -12.619 6.113 -12.464 1.00 71.12 C ATOM 530 C LEU A 32 -12.597 6.988 -13.729 1.00 31.33 C ATOM 531 O LEU A 32 -13.362 6.750 -14.668 1.00 21.41 O ATOM 532 CB LEU A 32 -12.816 6.991 -11.199 1.00 34.42 C ATOM 533 CG LEU A 32 -14.100 7.882 -11.168 1.00 61.43 C ATOM 534 CD1 LEU A 32 -15.386 7.037 -11.222 1.00 51.31 C ATOM 535 CD2 LEU A 32 -14.096 8.826 -9.950 1.00 13.44 C ATOM 0 H LEU A 32 -10.845 5.545 -11.505 1.00 71.42 H new ATOM 0 HA LEU A 32 -13.459 5.424 -12.554 1.00 71.12 H new ATOM 0 HB2 LEU A 32 -12.832 6.337 -10.327 1.00 34.42 H new ATOM 0 HB3 LEU A 32 -11.947 7.640 -11.094 1.00 34.42 H new ATOM 0 HG LEU A 32 -14.086 8.500 -12.066 1.00 61.43 H new ATOM 0 HD11 LEU A 32 -16.255 7.695 -11.198 1.00 51.31 H new ATOM 0 HD12 LEU A 32 -15.399 6.452 -12.142 1.00 51.31 H new ATOM 0 HD13 LEU A 32 -15.416 6.365 -10.364 1.00 51.31 H new ATOM 0 HD21 LEU A 32 -15.002 9.432 -9.957 1.00 13.44 H new ATOM 0 HD22 LEU A 32 -14.060 8.237 -9.033 1.00 13.44 H new ATOM 0 HD23 LEU A 32 -13.223 9.477 -9.997 1.00 13.44 H new ATOM 547 N GLN A 33 -11.680 7.976 -13.764 1.00 2.23 N ATOM 548 CA GLN A 33 -11.634 8.957 -14.865 1.00 55.23 C ATOM 549 C GLN A 33 -11.123 8.334 -16.185 1.00 75.04 C ATOM 550 O GLN A 33 -11.446 8.841 -17.269 1.00 12.03 O ATOM 551 CB GLN A 33 -10.900 10.281 -14.435 1.00 1.41 C ATOM 552 CG GLN A 33 -9.603 10.159 -13.597 1.00 34.54 C ATOM 553 CD GLN A 33 -8.361 9.776 -14.386 1.00 60.33 C ATOM 554 OE1 GLN A 33 -8.268 10.042 -15.565 1.00 30.10 O ATOM 555 NE2 GLN A 33 -7.363 9.211 -13.729 1.00 64.31 N ATOM 0 H GLN A 33 -10.967 8.115 -13.048 1.00 2.23 H new ATOM 0 HA GLN A 33 -12.657 9.260 -15.087 1.00 55.23 H new ATOM 0 HB2 GLN A 33 -10.660 10.838 -15.341 1.00 1.41 H new ATOM 0 HB3 GLN A 33 -11.608 10.885 -13.867 1.00 1.41 H new ATOM 0 HG2 GLN A 33 -9.419 11.111 -13.099 1.00 34.54 H new ATOM 0 HG3 GLN A 33 -9.762 9.416 -12.815 1.00 34.54 H new ATOM 0 HE21 GLN A 33 -7.463 8.996 -12.737 1.00 64.31 H new ATOM 0 HE22 GLN A 33 -6.493 8.990 -14.214 1.00 64.31 H new ATOM 564 N LEU A 34 -10.400 7.181 -16.092 1.00 54.05 N ATOM 565 CA LEU A 34 -10.004 6.381 -17.281 1.00 21.24 C ATOM 566 C LEU A 34 -11.232 6.000 -18.093 1.00 53.43 C ATOM 567 O LEU A 34 -11.319 6.390 -19.262 1.00 72.32 O ATOM 568 CB LEU A 34 -9.221 5.094 -16.892 1.00 2.43 C ATOM 569 CG LEU A 34 -8.946 4.045 -18.015 1.00 64.03 C ATOM 570 CD1 LEU A 34 -8.268 4.683 -19.239 1.00 30.33 C ATOM 571 CD2 LEU A 34 -8.126 2.851 -17.475 1.00 34.25 C ATOM 0 H LEU A 34 -10.082 6.788 -15.206 1.00 54.05 H new ATOM 0 HA LEU A 34 -9.342 7.007 -17.879 1.00 21.24 H new ATOM 0 HB2 LEU A 34 -8.261 5.399 -16.475 1.00 2.43 H new ATOM 0 HB3 LEU A 34 -9.771 4.595 -16.094 1.00 2.43 H new ATOM 0 HG LEU A 34 -9.912 3.663 -18.346 1.00 64.03 H new ATOM 0 HD11 LEU A 34 -8.094 3.920 -19.997 1.00 30.33 H new ATOM 0 HD12 LEU A 34 -8.913 5.461 -19.648 1.00 30.33 H new ATOM 0 HD13 LEU A 34 -7.316 5.121 -18.940 1.00 30.33 H new ATOM 0 HD21 LEU A 34 -7.950 2.137 -18.280 1.00 34.25 H new ATOM 0 HD22 LEU A 34 -7.170 3.209 -17.092 1.00 34.25 H new ATOM 0 HD23 LEU A 34 -8.679 2.364 -16.672 1.00 34.25 H new ATOM 583 N GLU A 35 -12.172 5.274 -17.443 1.00 30.13 N ATOM 584 CA GLU A 35 -13.392 4.767 -18.109 1.00 11.13 C ATOM 585 C GLU A 35 -14.415 5.891 -18.383 1.00 42.13 C ATOM 586 O GLU A 35 -15.321 5.717 -19.205 1.00 62.14 O ATOM 587 CB GLU A 35 -14.035 3.614 -17.296 1.00 0.23 C ATOM 588 CG GLU A 35 -14.487 3.985 -15.879 1.00 10.12 C ATOM 589 CD GLU A 35 -15.168 2.819 -15.146 1.00 52.53 C ATOM 590 OE1 GLU A 35 -14.462 1.875 -14.729 1.00 43.51 O ATOM 591 OE2 GLU A 35 -16.409 2.827 -14.994 1.00 33.14 O ATOM 0 H GLU A 35 -12.107 5.027 -16.456 1.00 30.13 H new ATOM 0 HA GLU A 35 -13.085 4.370 -19.077 1.00 11.13 H new ATOM 0 HB2 GLU A 35 -14.897 3.239 -17.848 1.00 0.23 H new ATOM 0 HB3 GLU A 35 -13.318 2.795 -17.229 1.00 0.23 H new ATOM 0 HG2 GLU A 35 -13.623 4.316 -15.302 1.00 10.12 H new ATOM 0 HG3 GLU A 35 -15.177 4.827 -15.932 1.00 10.12 H new ATOM 598 N LYS A 36 -14.272 7.040 -17.686 1.00 22.43 N ATOM 599 CA LYS A 36 -14.983 8.296 -18.037 1.00 32.01 C ATOM 600 C LYS A 36 -14.305 8.981 -19.251 1.00 11.10 C ATOM 601 O LYS A 36 -14.781 10.010 -19.744 1.00 31.13 O ATOM 602 CB LYS A 36 -15.021 9.238 -16.807 1.00 3.22 C ATOM 603 CG LYS A 36 -15.788 8.653 -15.592 1.00 53.42 C ATOM 604 CD LYS A 36 -15.762 9.577 -14.358 1.00 2.52 C ATOM 605 CE LYS A 36 -16.417 10.943 -14.620 1.00 13.12 C ATOM 606 NZ LYS A 36 -17.838 10.814 -15.048 1.00 60.24 N ATOM 0 H LYS A 36 -13.666 7.126 -16.870 1.00 22.43 H new ATOM 0 HA LYS A 36 -16.009 8.061 -18.321 1.00 32.01 H new ATOM 0 HB2 LYS A 36 -13.999 9.466 -16.504 1.00 3.22 H new ATOM 0 HB3 LYS A 36 -15.485 10.181 -17.098 1.00 3.22 H new ATOM 0 HG2 LYS A 36 -16.823 8.468 -15.878 1.00 53.42 H new ATOM 0 HG3 LYS A 36 -15.354 7.689 -15.326 1.00 53.42 H new ATOM 0 HD2 LYS A 36 -16.276 9.086 -13.532 1.00 2.52 H new ATOM 0 HD3 LYS A 36 -14.729 9.729 -14.046 1.00 2.52 H new ATOM 0 HE2 LYS A 36 -16.366 11.548 -13.715 1.00 13.12 H new ATOM 0 HE3 LYS A 36 -15.854 11.472 -15.389 1.00 13.12 H new ATOM 0 HZ1 LYS A 36 -18.272 11.758 -15.098 1.00 60.24 H new ATOM 0 HZ2 LYS A 36 -17.879 10.363 -15.984 1.00 60.24 H new ATOM 0 HZ3 LYS A 36 -18.356 10.231 -14.360 1.00 60.24 H new ATOM 620 N ALA A 37 -13.164 8.397 -19.666 1.00 62.54 N ATOM 621 CA ALA A 37 -12.432 8.703 -20.914 1.00 70.42 C ATOM 622 C ALA A 37 -11.547 9.902 -20.691 1.00 20.24 C ATOM 623 O ALA A 37 -11.764 10.988 -21.231 1.00 11.31 O ATOM 624 CB ALA A 37 -13.303 8.802 -22.185 1.00 62.42 C ATOM 0 H ALA A 37 -12.707 7.668 -19.119 1.00 62.54 H new ATOM 0 HA ALA A 37 -11.807 7.838 -21.137 1.00 70.42 H new ATOM 0 HB1 ALA A 37 -12.670 9.029 -23.043 1.00 62.42 H new ATOM 0 HB2 ALA A 37 -13.813 7.853 -22.352 1.00 62.42 H new ATOM 0 HB3 ALA A 37 -14.042 9.594 -22.059 1.00 62.42 H new ATOM 630 N THR A 38 -10.581 9.644 -19.808 1.00 0.44 N ATOM 631 CA THR A 38 -9.604 10.610 -19.269 1.00 2.14 C ATOM 632 C THR A 38 -9.021 11.660 -20.253 1.00 72.33 C ATOM 633 O THR A 38 -9.047 11.521 -21.484 1.00 14.23 O ATOM 634 CB THR A 38 -8.408 9.826 -18.658 1.00 74.42 C ATOM 635 OG1 THR A 38 -7.441 10.723 -18.077 1.00 22.34 O ATOM 636 CG2 THR A 38 -7.719 8.962 -19.715 1.00 54.34 C ATOM 0 H THR A 38 -10.446 8.708 -19.425 1.00 0.44 H new ATOM 0 HA THR A 38 -10.180 11.186 -18.545 1.00 2.14 H new ATOM 0 HB THR A 38 -8.812 9.182 -17.877 1.00 74.42 H new ATOM 0 HG1 THR A 38 -7.521 10.702 -17.100 1.00 22.34 H new ATOM 0 HG21 THR A 38 -6.887 8.425 -19.260 1.00 54.34 H new ATOM 0 HG22 THR A 38 -8.433 8.246 -20.122 1.00 54.34 H new ATOM 0 HG23 THR A 38 -7.345 9.598 -20.518 1.00 54.34 H new ATOM 644 N GLN A 39 -8.448 12.688 -19.617 1.00 73.33 N ATOM 645 CA GLN A 39 -7.677 13.764 -20.247 1.00 63.34 C ATOM 646 C GLN A 39 -6.399 14.074 -19.410 1.00 44.53 C ATOM 647 O GLN A 39 -5.468 14.713 -19.908 1.00 72.13 O ATOM 648 CB GLN A 39 -8.584 15.011 -20.402 1.00 73.03 C ATOM 649 CG GLN A 39 -9.218 15.531 -19.077 1.00 21.53 C ATOM 650 CD GLN A 39 -8.630 16.842 -18.517 1.00 13.14 C ATOM 651 OE1 GLN A 39 -7.349 17.102 -18.750 1.00 24.13 O flip ATOM 652 NE2 GLN A 39 -9.326 17.616 -17.856 1.00 52.52 N flip ATOM 0 H GLN A 39 -8.512 12.797 -18.605 1.00 73.33 H new ATOM 0 HA GLN A 39 -7.344 13.456 -21.238 1.00 63.34 H new ATOM 0 HB2 GLN A 39 -7.998 15.815 -20.847 1.00 73.03 H new ATOM 0 HB3 GLN A 39 -9.385 14.775 -21.103 1.00 73.03 H new ATOM 0 HG2 GLN A 39 -10.286 15.675 -19.240 1.00 21.53 H new ATOM 0 HG3 GLN A 39 -9.113 14.755 -18.318 1.00 21.53 H new ATOM 0 HE21 GLN A 39 -10.308 17.400 -17.687 1.00 52.52 H new ATOM 0 HE22 GLN A 39 -8.919 18.472 -17.479 1.00 52.52 H new ATOM 661 N ARG A 40 -6.360 13.557 -18.155 1.00 22.34 N ATOM 662 CA ARG A 40 -5.342 13.886 -17.124 1.00 34.52 C ATOM 663 C ARG A 40 -5.571 12.983 -15.877 1.00 34.23 C ATOM 664 O ARG A 40 -6.648 12.405 -15.727 1.00 23.53 O ATOM 665 CB ARG A 40 -5.475 15.404 -16.750 1.00 54.10 C ATOM 666 CG ARG A 40 -4.567 15.919 -15.606 1.00 21.30 C ATOM 667 CD ARG A 40 -4.852 17.391 -15.245 1.00 12.40 C ATOM 668 NE ARG A 40 -4.166 17.794 -14.003 1.00 50.45 N ATOM 669 CZ ARG A 40 -3.328 18.835 -13.872 1.00 15.34 C ATOM 670 NH1 ARG A 40 -3.031 19.623 -14.904 1.00 12.03 N ATOM 671 NH2 ARG A 40 -2.819 19.100 -12.678 1.00 24.40 N ATOM 0 H ARG A 40 -7.052 12.884 -17.824 1.00 22.34 H new ATOM 0 HA ARG A 40 -4.336 13.704 -17.503 1.00 34.52 H new ATOM 0 HB2 ARG A 40 -5.266 15.994 -17.642 1.00 54.10 H new ATOM 0 HB3 ARG A 40 -6.512 15.597 -16.475 1.00 54.10 H new ATOM 0 HG2 ARG A 40 -4.712 15.297 -14.723 1.00 21.30 H new ATOM 0 HG3 ARG A 40 -3.523 15.816 -15.901 1.00 21.30 H new ATOM 0 HD2 ARG A 40 -4.530 18.035 -16.063 1.00 12.40 H new ATOM 0 HD3 ARG A 40 -5.926 17.535 -15.130 1.00 12.40 H new ATOM 0 HE ARG A 40 -4.344 17.232 -13.170 1.00 50.45 H new ATOM 0 HH11 ARG A 40 -3.443 19.442 -15.819 1.00 12.03 H new ATOM 0 HH12 ARG A 40 -2.391 20.408 -14.779 1.00 12.03 H new ATOM 0 HH21 ARG A 40 -3.065 18.517 -11.878 1.00 24.40 H new ATOM 0 HH22 ARG A 40 -2.181 19.887 -12.559 1.00 24.40 H new ATOM 685 N GLN A 41 -4.555 12.841 -14.996 1.00 43.40 N ATOM 686 CA GLN A 41 -4.687 12.111 -13.706 1.00 42.04 C ATOM 687 C GLN A 41 -4.238 13.042 -12.555 1.00 72.04 C ATOM 688 O GLN A 41 -3.476 13.995 -12.788 1.00 43.52 O ATOM 689 CB GLN A 41 -3.838 10.797 -13.741 1.00 41.32 C ATOM 690 CG GLN A 41 -2.316 11.007 -13.555 1.00 74.25 C ATOM 691 CD GLN A 41 -1.415 9.851 -14.009 1.00 61.31 C ATOM 692 OE1 GLN A 41 -0.263 10.077 -14.388 1.00 15.12 O ATOM 693 NE2 GLN A 41 -1.904 8.621 -13.987 1.00 72.34 N ATOM 0 H GLN A 41 -3.624 13.225 -15.154 1.00 43.40 H new ATOM 0 HA GLN A 41 -5.726 11.826 -13.542 1.00 42.04 H new ATOM 0 HB2 GLN A 41 -4.197 10.127 -12.959 1.00 41.32 H new ATOM 0 HB3 GLN A 41 -4.008 10.295 -14.694 1.00 41.32 H new ATOM 0 HG2 GLN A 41 -2.024 11.904 -14.101 1.00 74.25 H new ATOM 0 HG3 GLN A 41 -2.122 11.199 -12.500 1.00 74.25 H new ATOM 0 HE21 GLN A 41 -2.860 8.458 -13.670 1.00 72.34 H new ATOM 0 HE22 GLN A 41 -1.325 7.837 -14.287 1.00 72.34 H new ATOM 702 N GLU A 42 -4.728 12.800 -11.326 1.00 63.04 N ATOM 703 CA GLU A 42 -4.322 13.578 -10.125 1.00 1.42 C ATOM 704 C GLU A 42 -3.564 12.676 -9.129 1.00 65.11 C ATOM 705 O GLU A 42 -2.721 13.159 -8.358 1.00 33.43 O ATOM 706 CB GLU A 42 -5.554 14.233 -9.446 1.00 54.51 C ATOM 707 CG GLU A 42 -6.608 13.252 -8.910 1.00 10.41 C ATOM 708 CD GLU A 42 -7.828 13.941 -8.277 1.00 4.14 C ATOM 709 OE1 GLU A 42 -8.711 14.416 -9.025 1.00 5.02 O ATOM 710 OE2 GLU A 42 -7.909 14.012 -7.035 1.00 44.14 O ATOM 0 H GLU A 42 -5.411 12.068 -11.130 1.00 63.04 H new ATOM 0 HA GLU A 42 -3.652 14.376 -10.446 1.00 1.42 H new ATOM 0 HB2 GLU A 42 -5.206 14.853 -8.620 1.00 54.51 H new ATOM 0 HB3 GLU A 42 -6.033 14.898 -10.164 1.00 54.51 H new ATOM 0 HG2 GLU A 42 -6.945 12.613 -9.726 1.00 10.41 H new ATOM 0 HG3 GLU A 42 -6.143 12.602 -8.168 1.00 10.41 H new ATOM 717 N ARG A 43 -3.900 11.361 -9.179 1.00 34.11 N ATOM 718 CA ARG A 43 -3.293 10.276 -8.375 1.00 63.14 C ATOM 719 C ARG A 43 -3.656 10.380 -6.873 1.00 0.02 C ATOM 720 O ARG A 43 -4.411 9.555 -6.352 1.00 51.43 O ATOM 721 CB ARG A 43 -1.755 10.182 -8.594 1.00 52.21 C ATOM 722 CG ARG A 43 -1.343 9.897 -10.054 1.00 41.31 C ATOM 723 CD ARG A 43 0.178 9.794 -10.225 1.00 44.21 C ATOM 724 NE ARG A 43 0.745 8.701 -9.422 1.00 25.45 N ATOM 725 CZ ARG A 43 2.034 8.572 -9.083 1.00 70.00 C ATOM 726 NH1 ARG A 43 2.937 9.471 -9.462 1.00 42.02 N ATOM 727 NH2 ARG A 43 2.409 7.534 -8.349 1.00 1.33 N ATOM 0 H ARG A 43 -4.629 11.018 -9.805 1.00 34.11 H new ATOM 0 HA ARG A 43 -3.727 9.343 -8.736 1.00 63.14 H new ATOM 0 HB2 ARG A 43 -1.295 11.117 -8.274 1.00 52.21 H new ATOM 0 HB3 ARG A 43 -1.355 9.395 -7.955 1.00 52.21 H new ATOM 0 HG2 ARG A 43 -1.806 8.967 -10.384 1.00 41.31 H new ATOM 0 HG3 ARG A 43 -1.725 10.690 -10.697 1.00 41.31 H new ATOM 0 HD2 ARG A 43 0.415 9.633 -11.277 1.00 44.21 H new ATOM 0 HD3 ARG A 43 0.641 10.737 -9.934 1.00 44.21 H new ATOM 0 HE ARG A 43 0.102 7.980 -9.095 1.00 25.45 H new ATOM 0 HH11 ARG A 43 2.652 10.276 -10.020 1.00 42.02 H new ATOM 0 HH12 ARG A 43 3.915 9.356 -9.194 1.00 42.02 H new ATOM 0 HH21 ARG A 43 1.719 6.845 -8.049 1.00 1.33 H new ATOM 0 HH22 ARG A 43 3.388 7.424 -8.084 1.00 1.33 H new ATOM 741 N PHE A 44 -3.109 11.399 -6.189 1.00 11.24 N ATOM 742 CA PHE A 44 -3.377 11.661 -4.753 1.00 23.40 C ATOM 743 C PHE A 44 -4.862 11.986 -4.507 1.00 13.14 C ATOM 744 O PHE A 44 -5.547 12.562 -5.362 1.00 63.35 O ATOM 745 CB PHE A 44 -2.476 12.820 -4.250 1.00 21.25 C ATOM 746 CG PHE A 44 -2.675 13.181 -2.774 1.00 52.14 C ATOM 747 CD1 PHE A 44 -3.354 14.345 -2.391 1.00 55.52 C ATOM 748 CD2 PHE A 44 -2.204 12.339 -1.767 1.00 33.34 C ATOM 749 CE1 PHE A 44 -3.542 14.652 -1.056 1.00 51.13 C ATOM 750 CE2 PHE A 44 -2.393 12.653 -0.433 1.00 53.31 C ATOM 751 CZ PHE A 44 -3.064 13.805 -0.078 1.00 30.13 C ATOM 0 H PHE A 44 -2.466 12.069 -6.611 1.00 11.24 H new ATOM 0 HA PHE A 44 -3.142 10.756 -4.193 1.00 23.40 H new ATOM 0 HB2 PHE A 44 -1.432 12.547 -4.407 1.00 21.25 H new ATOM 0 HB3 PHE A 44 -2.670 13.704 -4.857 1.00 21.25 H new ATOM 0 HD1 PHE A 44 -3.736 15.012 -3.149 1.00 55.52 H new ATOM 0 HD2 PHE A 44 -1.685 11.430 -2.032 1.00 33.34 H new ATOM 0 HE1 PHE A 44 -4.064 15.556 -0.779 1.00 51.13 H new ATOM 0 HE2 PHE A 44 -2.014 11.994 0.334 1.00 53.31 H new ATOM 0 HZ PHE A 44 -3.215 14.043 0.965 1.00 30.13 H new TER 761 PHE A 44 ATOM 762 N ASP B 101 9.013 -17.625 22.400 1.00 34.13 N ATOM 763 CA ASP B 101 7.819 -16.957 22.933 1.00 63.42 C ATOM 764 C ASP B 101 7.519 -15.676 22.141 1.00 60.32 C ATOM 765 O ASP B 101 6.363 -15.290 21.957 1.00 30.31 O ATOM 766 CB ASP B 101 7.996 -16.636 24.439 1.00 33.31 C ATOM 767 CG ASP B 101 8.252 -17.891 25.293 1.00 44.54 C ATOM 768 OD1 ASP B 101 9.374 -18.056 25.826 1.00 42.34 O ATOM 769 OD2 ASP B 101 7.337 -18.731 25.423 1.00 63.11 O ATOM 0 HA ASP B 101 6.972 -17.635 22.826 1.00 63.42 H new ATOM 0 HB2 ASP B 101 8.828 -15.943 24.562 1.00 33.31 H new ATOM 0 HB3 ASP B 101 7.103 -16.130 24.805 1.00 33.31 H new ATOM 774 N PHE B 102 8.596 -15.022 21.692 1.00 11.14 N ATOM 775 CA PHE B 102 8.547 -13.802 20.862 1.00 35.35 C ATOM 776 C PHE B 102 8.949 -14.122 19.410 1.00 11.42 C ATOM 777 O PHE B 102 8.895 -13.250 18.519 1.00 31.14 O ATOM 778 CB PHE B 102 9.486 -12.735 21.463 1.00 54.52 C ATOM 779 CG PHE B 102 9.053 -12.169 22.822 1.00 71.14 C ATOM 780 CD1 PHE B 102 9.191 -12.912 23.998 1.00 33.11 C ATOM 781 CD2 PHE B 102 8.521 -10.886 22.925 1.00 42.23 C ATOM 782 CE1 PHE B 102 8.810 -12.391 25.218 1.00 41.43 C ATOM 783 CE2 PHE B 102 8.145 -10.363 24.141 1.00 23.01 C ATOM 784 CZ PHE B 102 8.287 -11.114 25.292 1.00 11.42 C ATOM 0 H PHE B 102 9.547 -15.328 21.897 1.00 11.14 H new ATOM 0 HA PHE B 102 7.528 -13.415 20.852 1.00 35.35 H new ATOM 0 HB2 PHE B 102 10.480 -13.169 21.569 1.00 54.52 H new ATOM 0 HB3 PHE B 102 9.572 -11.910 20.755 1.00 54.52 H new ATOM 0 HD1 PHE B 102 9.602 -13.910 23.951 1.00 33.11 H new ATOM 0 HD2 PHE B 102 8.401 -10.290 22.033 1.00 42.23 H new ATOM 0 HE1 PHE B 102 8.921 -12.982 26.115 1.00 41.43 H new ATOM 0 HE2 PHE B 102 7.738 -9.364 24.196 1.00 23.01 H new ATOM 0 HZ PHE B 102 7.990 -10.704 26.246 1.00 11.42 H new ATOM 794 N LYS B 103 9.329 -15.396 19.162 1.00 31.04 N ATOM 795 CA LYS B 103 9.604 -15.900 17.805 1.00 74.41 C ATOM 796 C LYS B 103 8.341 -15.741 16.940 1.00 35.13 C ATOM 797 O LYS B 103 8.417 -15.499 15.736 1.00 23.30 O ATOM 798 CB LYS B 103 10.077 -17.391 17.847 1.00 71.02 C ATOM 799 CG LYS B 103 8.990 -18.503 18.025 1.00 0.32 C ATOM 800 CD LYS B 103 8.042 -18.326 19.256 1.00 1.10 C ATOM 801 CE LYS B 103 7.671 -19.651 19.929 1.00 63.12 C ATOM 802 NZ LYS B 103 8.866 -20.368 20.464 1.00 25.01 N ATOM 0 H LYS B 103 9.452 -16.096 19.894 1.00 31.04 H new ATOM 0 HA LYS B 103 10.412 -15.318 17.363 1.00 74.41 H new ATOM 0 HB2 LYS B 103 10.616 -17.596 16.922 1.00 71.02 H new ATOM 0 HB3 LYS B 103 10.793 -17.491 18.662 1.00 71.02 H new ATOM 0 HG2 LYS B 103 8.381 -18.539 17.122 1.00 0.32 H new ATOM 0 HG3 LYS B 103 9.492 -19.467 18.110 1.00 0.32 H new ATOM 0 HD2 LYS B 103 8.524 -17.677 19.987 1.00 1.10 H new ATOM 0 HD3 LYS B 103 7.131 -17.822 18.935 1.00 1.10 H new ATOM 0 HE2 LYS B 103 6.971 -19.460 20.742 1.00 63.12 H new ATOM 0 HE3 LYS B 103 7.158 -20.290 19.210 1.00 63.12 H new ATOM 0 HZ1 LYS B 103 8.571 -21.019 21.219 1.00 25.01 H new ATOM 0 HZ2 LYS B 103 9.318 -20.908 19.699 1.00 25.01 H new ATOM 0 HZ3 LYS B 103 9.542 -19.677 20.847 1.00 25.01 H new ATOM 816 N LYS B 104 7.176 -15.851 17.623 1.00 65.35 N ATOM 817 CA LYS B 104 5.861 -15.752 17.012 1.00 24.42 C ATOM 818 C LYS B 104 5.541 -14.299 16.640 1.00 35.32 C ATOM 819 O LYS B 104 4.835 -14.094 15.675 1.00 43.40 O ATOM 820 CB LYS B 104 4.781 -16.357 17.953 1.00 55.15 C ATOM 821 CG LYS B 104 4.541 -15.608 19.296 1.00 74.13 C ATOM 822 CD LYS B 104 3.443 -14.506 19.234 1.00 51.41 C ATOM 823 CE LYS B 104 2.063 -15.011 18.762 1.00 54.11 C ATOM 824 NZ LYS B 104 1.441 -15.957 19.731 1.00 51.23 N ATOM 0 H LYS B 104 7.141 -16.014 18.629 1.00 65.35 H new ATOM 0 HA LYS B 104 5.859 -16.330 16.088 1.00 24.42 H new ATOM 0 HB2 LYS B 104 3.837 -16.397 17.410 1.00 55.15 H new ATOM 0 HB3 LYS B 104 5.062 -17.385 18.180 1.00 55.15 H new ATOM 0 HG2 LYS B 104 4.265 -16.336 20.059 1.00 74.13 H new ATOM 0 HG3 LYS B 104 5.478 -15.152 19.615 1.00 74.13 H new ATOM 0 HD2 LYS B 104 3.335 -14.061 20.223 1.00 51.41 H new ATOM 0 HD3 LYS B 104 3.776 -13.715 18.563 1.00 51.41 H new ATOM 0 HE2 LYS B 104 1.399 -14.159 18.613 1.00 54.11 H new ATOM 0 HE3 LYS B 104 2.171 -15.504 17.796 1.00 54.11 H new ATOM 0 HZ1 LYS B 104 0.517 -16.267 19.369 1.00 51.23 H new ATOM 0 HZ2 LYS B 104 2.060 -16.784 19.855 1.00 51.23 H new ATOM 0 HZ3 LYS B 104 1.312 -15.481 20.647 1.00 51.23 H new ATOM 838 N LEU B 105 6.057 -13.290 17.408 1.00 24.14 N ATOM 839 CA LEU B 105 5.859 -11.860 17.053 1.00 64.23 C ATOM 840 C LEU B 105 6.543 -11.620 15.707 1.00 5.43 C ATOM 841 O LEU B 105 5.987 -10.956 14.820 1.00 12.33 O ATOM 842 CB LEU B 105 6.355 -10.854 18.184 1.00 64.51 C ATOM 843 CG LEU B 105 7.841 -10.269 18.149 1.00 74.23 C ATOM 844 CD1 LEU B 105 8.052 -9.160 17.092 1.00 12.01 C ATOM 845 CD2 LEU B 105 8.274 -9.734 19.526 1.00 72.21 C ATOM 0 H LEU B 105 6.601 -13.442 18.258 1.00 24.14 H new ATOM 0 HA LEU B 105 4.792 -11.653 16.971 1.00 64.23 H new ATOM 0 HB2 LEU B 105 5.673 -10.003 18.180 1.00 64.51 H new ATOM 0 HB3 LEU B 105 6.230 -11.359 19.142 1.00 64.51 H new ATOM 0 HG LEU B 105 8.464 -11.118 17.866 1.00 74.23 H new ATOM 0 HD11 LEU B 105 9.085 -8.814 17.129 1.00 12.01 H new ATOM 0 HD12 LEU B 105 7.838 -9.558 16.100 1.00 12.01 H new ATOM 0 HD13 LEU B 105 7.382 -8.326 17.301 1.00 12.01 H new ATOM 0 HD21 LEU B 105 9.290 -9.345 19.462 1.00 72.21 H new ATOM 0 HD22 LEU B 105 7.599 -8.936 19.835 1.00 72.21 H new ATOM 0 HD23 LEU B 105 8.240 -10.542 20.257 1.00 72.21 H new ATOM 857 N TYR B 106 7.755 -12.218 15.569 1.00 70.05 N ATOM 858 CA TYR B 106 8.522 -12.167 14.320 1.00 1.35 C ATOM 859 C TYR B 106 7.717 -12.841 13.191 1.00 62.12 C ATOM 860 O TYR B 106 7.639 -12.303 12.099 1.00 32.40 O ATOM 861 CB TYR B 106 9.933 -12.813 14.480 1.00 32.12 C ATOM 862 CG TYR B 106 10.933 -12.394 13.382 1.00 10.13 C ATOM 863 CD1 TYR B 106 11.373 -13.271 12.389 1.00 41.43 C ATOM 864 CD2 TYR B 106 11.417 -11.087 13.335 1.00 43.33 C ATOM 865 CE1 TYR B 106 12.260 -12.852 11.409 1.00 22.32 C ATOM 866 CE2 TYR B 106 12.296 -10.662 12.362 1.00 41.31 C ATOM 867 CZ TYR B 106 12.715 -11.548 11.395 1.00 54.45 C ATOM 868 OH TYR B 106 13.604 -11.137 10.418 1.00 13.01 O ATOM 0 H TYR B 106 8.213 -12.740 16.316 1.00 70.05 H new ATOM 0 HA TYR B 106 8.688 -11.122 14.058 1.00 1.35 H new ATOM 0 HB2 TYR B 106 10.340 -12.540 15.454 1.00 32.12 H new ATOM 0 HB3 TYR B 106 9.830 -13.898 14.471 1.00 32.12 H new ATOM 0 HD1 TYR B 106 11.017 -14.291 12.384 1.00 41.43 H new ATOM 0 HD2 TYR B 106 11.092 -10.383 14.087 1.00 43.33 H new ATOM 0 HE1 TYR B 106 12.596 -13.548 10.654 1.00 22.32 H new ATOM 0 HE2 TYR B 106 12.653 -9.643 12.358 1.00 41.31 H new ATOM 0 HH TYR B 106 13.822 -10.191 10.552 1.00 13.01 H new ATOM 878 N GLU B 107 7.057 -13.978 13.505 1.00 2.21 N ATOM 879 CA GLU B 107 6.230 -14.717 12.537 1.00 13.52 C ATOM 880 C GLU B 107 5.010 -13.901 12.078 1.00 23.23 C ATOM 881 O GLU B 107 4.763 -13.824 10.887 1.00 21.03 O ATOM 882 CB GLU B 107 5.764 -16.068 13.133 1.00 32.31 C ATOM 883 CG GLU B 107 6.885 -17.087 13.405 1.00 23.34 C ATOM 884 CD GLU B 107 7.742 -17.404 12.168 1.00 54.13 C ATOM 885 OE1 GLU B 107 8.855 -16.854 12.039 1.00 4.55 O ATOM 886 OE2 GLU B 107 7.305 -18.200 11.309 1.00 2.41 O ATOM 0 H GLU B 107 7.085 -14.403 14.432 1.00 2.21 H new ATOM 0 HA GLU B 107 6.855 -14.905 11.664 1.00 13.52 H new ATOM 0 HB2 GLU B 107 5.238 -15.872 14.068 1.00 32.31 H new ATOM 0 HB3 GLU B 107 5.043 -16.518 12.450 1.00 32.31 H new ATOM 0 HG2 GLU B 107 7.530 -16.703 14.195 1.00 23.34 H new ATOM 0 HG3 GLU B 107 6.442 -18.011 13.777 1.00 23.34 H new ATOM 893 N GLN B 108 4.278 -13.282 13.033 1.00 25.44 N ATOM 894 CA GLN B 108 2.995 -12.591 12.749 1.00 14.40 C ATOM 895 C GLN B 108 3.207 -11.413 11.798 1.00 53.12 C ATOM 896 O GLN B 108 2.624 -11.369 10.705 1.00 33.04 O ATOM 897 CB GLN B 108 2.289 -12.075 14.049 1.00 14.32 C ATOM 898 CG GLN B 108 1.992 -13.137 15.130 1.00 70.52 C ATOM 899 CD GLN B 108 1.486 -14.464 14.565 1.00 25.55 C ATOM 900 OE1 GLN B 108 0.285 -14.671 14.383 1.00 12.53 O ATOM 901 NE2 GLN B 108 2.411 -15.373 14.276 1.00 20.54 N ATOM 0 H GLN B 108 4.555 -13.246 14.014 1.00 25.44 H new ATOM 0 HA GLN B 108 2.348 -13.334 12.282 1.00 14.40 H new ATOM 0 HB2 GLN B 108 2.913 -11.299 14.493 1.00 14.32 H new ATOM 0 HB3 GLN B 108 1.348 -11.604 13.764 1.00 14.32 H new ATOM 0 HG2 GLN B 108 2.899 -13.320 15.706 1.00 70.52 H new ATOM 0 HG3 GLN B 108 1.249 -12.740 15.822 1.00 70.52 H new ATOM 0 HE21 GLN B 108 3.397 -15.168 14.440 1.00 20.54 H new ATOM 0 HE22 GLN B 108 2.135 -16.276 13.890 1.00 20.54 H new ATOM 910 N ILE B 109 4.075 -10.478 12.227 1.00 32.43 N ATOM 911 CA ILE B 109 4.276 -9.213 11.520 1.00 2.22 C ATOM 912 C ILE B 109 5.006 -9.445 10.176 1.00 51.45 C ATOM 913 O ILE B 109 4.671 -8.812 9.179 1.00 5.14 O ATOM 914 CB ILE B 109 5.075 -8.159 12.375 1.00 4.10 C ATOM 915 CG1 ILE B 109 4.596 -8.104 13.860 1.00 11.52 C ATOM 916 CG2 ILE B 109 4.959 -6.759 11.728 1.00 62.31 C ATOM 917 CD1 ILE B 109 5.421 -7.176 14.736 1.00 3.44 C ATOM 0 H ILE B 109 4.648 -10.582 13.065 1.00 32.43 H new ATOM 0 HA ILE B 109 3.282 -8.805 11.334 1.00 2.22 H new ATOM 0 HB ILE B 109 6.118 -8.477 12.387 1.00 4.10 H new ATOM 0 HG12 ILE B 109 3.555 -7.782 13.885 1.00 11.52 H new ATOM 0 HG13 ILE B 109 4.628 -9.109 14.280 1.00 11.52 H new ATOM 0 HG21 ILE B 109 5.514 -6.035 12.325 1.00 62.31 H new ATOM 0 HG22 ILE B 109 5.371 -6.789 10.719 1.00 62.31 H new ATOM 0 HG23 ILE B 109 3.910 -6.465 11.683 1.00 62.31 H new ATOM 0 HD11 ILE B 109 5.028 -7.191 15.753 1.00 3.44 H new ATOM 0 HD12 ILE B 109 6.459 -7.509 14.743 1.00 3.44 H new ATOM 0 HD13 ILE B 109 5.369 -6.161 14.342 1.00 3.44 H new ATOM 929 N LEU B 110 6.007 -10.364 10.167 1.00 4.11 N ATOM 930 CA LEU B 110 6.822 -10.662 8.955 1.00 62.03 C ATOM 931 C LEU B 110 5.994 -11.473 7.923 1.00 74.30 C ATOM 932 O LEU B 110 6.193 -11.304 6.721 1.00 40.43 O ATOM 933 CB LEU B 110 8.148 -11.393 9.352 1.00 54.44 C ATOM 934 CG LEU B 110 9.396 -11.317 8.390 1.00 54.20 C ATOM 935 CD1 LEU B 110 9.241 -12.165 7.105 1.00 24.43 C ATOM 936 CD2 LEU B 110 9.756 -9.848 8.065 1.00 64.21 C ATOM 0 H LEU B 110 6.271 -10.913 10.985 1.00 4.11 H new ATOM 0 HA LEU B 110 7.099 -9.722 8.477 1.00 62.03 H new ATOM 0 HB2 LEU B 110 8.459 -11.002 10.321 1.00 54.44 H new ATOM 0 HB3 LEU B 110 7.910 -12.447 9.495 1.00 54.44 H new ATOM 0 HG LEU B 110 10.228 -11.764 8.934 1.00 54.20 H new ATOM 0 HD11 LEU B 110 10.137 -12.064 6.492 1.00 24.43 H new ATOM 0 HD12 LEU B 110 9.102 -13.212 7.375 1.00 24.43 H new ATOM 0 HD13 LEU B 110 8.375 -11.817 6.542 1.00 24.43 H new ATOM 0 HD21 LEU B 110 10.620 -9.824 7.400 1.00 64.21 H new ATOM 0 HD22 LEU B 110 8.909 -9.365 7.578 1.00 64.21 H new ATOM 0 HD23 LEU B 110 9.993 -9.319 8.988 1.00 64.21 H new ATOM 948 N ALA B 111 5.059 -12.330 8.392 1.00 63.52 N ATOM 949 CA ALA B 111 4.150 -13.089 7.492 1.00 72.13 C ATOM 950 C ALA B 111 3.168 -12.132 6.802 1.00 21.44 C ATOM 951 O ALA B 111 2.858 -12.289 5.612 1.00 11.15 O ATOM 952 CB ALA B 111 3.383 -14.183 8.260 1.00 62.43 C ATOM 0 H ALA B 111 4.911 -12.515 9.384 1.00 63.52 H new ATOM 0 HA ALA B 111 4.760 -13.580 6.734 1.00 72.13 H new ATOM 0 HB1 ALA B 111 2.728 -14.719 7.573 1.00 62.43 H new ATOM 0 HB2 ALA B 111 4.092 -14.881 8.704 1.00 62.43 H new ATOM 0 HB3 ALA B 111 2.785 -13.724 9.047 1.00 62.43 H new ATOM 958 N GLU B 112 2.690 -11.136 7.577 1.00 4.45 N ATOM 959 CA GLU B 112 1.848 -10.054 7.058 1.00 65.13 C ATOM 960 C GLU B 112 2.662 -9.175 6.084 1.00 22.30 C ATOM 961 O GLU B 112 2.166 -8.784 5.041 1.00 70.53 O ATOM 962 CB GLU B 112 1.294 -9.178 8.212 1.00 42.34 C ATOM 963 CG GLU B 112 0.251 -8.115 7.771 1.00 71.24 C ATOM 964 CD GLU B 112 -1.153 -8.698 7.507 1.00 13.52 C ATOM 965 OE1 GLU B 112 -1.333 -9.419 6.510 1.00 45.42 O ATOM 966 OE2 GLU B 112 -2.086 -8.440 8.296 1.00 74.34 O ATOM 0 H GLU B 112 2.880 -11.065 8.577 1.00 4.45 H new ATOM 0 HA GLU B 112 1.006 -10.502 6.530 1.00 65.13 H new ATOM 0 HB2 GLU B 112 0.838 -9.829 8.958 1.00 42.34 H new ATOM 0 HB3 GLU B 112 2.127 -8.671 8.698 1.00 42.34 H new ATOM 0 HG2 GLU B 112 0.178 -7.349 8.543 1.00 71.24 H new ATOM 0 HG3 GLU B 112 0.607 -7.623 6.866 1.00 71.24 H new ATOM 973 N ASN B 113 3.931 -8.912 6.456 1.00 65.54 N ATOM 974 CA ASN B 113 4.884 -8.070 5.687 1.00 33.23 C ATOM 975 C ASN B 113 5.209 -8.723 4.323 1.00 41.15 C ATOM 976 O ASN B 113 5.360 -8.033 3.307 1.00 40.43 O ATOM 977 CB ASN B 113 6.174 -7.867 6.532 1.00 0.13 C ATOM 978 CG ASN B 113 7.207 -6.939 5.895 1.00 51.23 C ATOM 979 OD1 ASN B 113 7.179 -5.656 6.251 1.00 72.41 O flip ATOM 980 ND2 ASN B 113 8.039 -7.375 5.100 1.00 42.31 N flip ATOM 0 H ASN B 113 4.335 -9.284 7.316 1.00 65.54 H new ATOM 0 HA ASN B 113 4.433 -7.098 5.484 1.00 33.23 H new ATOM 0 HB2 ASN B 113 5.896 -7.466 7.507 1.00 0.13 H new ATOM 0 HB3 ASN B 113 6.636 -8.839 6.707 1.00 0.13 H new ATOM 0 HD21 ASN B 113 8.034 -8.363 4.847 1.00 42.31 H new ATOM 0 HD22 ASN B 113 8.733 -6.748 4.694 1.00 42.31 H new ATOM 987 N GLU B 114 5.287 -10.066 4.335 1.00 3.11 N ATOM 988 CA GLU B 114 5.433 -10.903 3.130 1.00 0.35 C ATOM 989 C GLU B 114 4.224 -10.701 2.211 1.00 52.33 C ATOM 990 O GLU B 114 4.378 -10.399 1.015 1.00 50.05 O ATOM 991 CB GLU B 114 5.596 -12.409 3.536 1.00 13.23 C ATOM 992 CG GLU B 114 5.075 -13.420 2.487 1.00 75.43 C ATOM 993 CD GLU B 114 5.536 -14.868 2.728 1.00 2.14 C ATOM 994 OE1 GLU B 114 4.789 -15.655 3.350 1.00 45.11 O ATOM 995 OE2 GLU B 114 6.656 -15.224 2.297 1.00 34.31 O ATOM 0 H GLU B 114 5.250 -10.610 5.197 1.00 3.11 H new ATOM 0 HA GLU B 114 6.329 -10.605 2.586 1.00 0.35 H new ATOM 0 HB2 GLU B 114 6.651 -12.609 3.721 1.00 13.23 H new ATOM 0 HB3 GLU B 114 5.070 -12.577 4.476 1.00 13.23 H new ATOM 0 HG2 GLU B 114 3.985 -13.393 2.482 1.00 75.43 H new ATOM 0 HG3 GLU B 114 5.406 -13.104 1.498 1.00 75.43 H new ATOM 1002 N LYS B 115 3.022 -10.855 2.804 1.00 14.24 N ATOM 1003 CA LYS B 115 1.756 -10.646 2.100 1.00 10.35 C ATOM 1004 C LYS B 115 1.678 -9.207 1.559 1.00 43.13 C ATOM 1005 O LYS B 115 1.135 -8.989 0.488 1.00 71.23 O ATOM 1006 CB LYS B 115 0.537 -10.897 3.032 1.00 72.22 C ATOM 1007 CG LYS B 115 -0.850 -10.826 2.314 1.00 55.31 C ATOM 1008 CD LYS B 115 -1.987 -10.258 3.197 1.00 74.24 C ATOM 1009 CE LYS B 115 -1.867 -8.736 3.417 1.00 12.15 C ATOM 1010 NZ LYS B 115 -2.905 -8.243 4.372 1.00 12.12 N ATOM 0 H LYS B 115 2.910 -11.127 3.781 1.00 14.24 H new ATOM 0 HA LYS B 115 1.722 -11.359 1.276 1.00 10.35 H new ATOM 0 HB2 LYS B 115 0.644 -11.879 3.493 1.00 72.22 H new ATOM 0 HB3 LYS B 115 0.554 -10.163 3.837 1.00 72.22 H new ATOM 0 HG2 LYS B 115 -0.754 -10.208 1.421 1.00 55.31 H new ATOM 0 HG3 LYS B 115 -1.127 -11.826 1.981 1.00 55.31 H new ATOM 0 HD2 LYS B 115 -2.948 -10.479 2.732 1.00 74.24 H new ATOM 0 HD3 LYS B 115 -1.977 -10.762 4.163 1.00 74.24 H new ATOM 0 HE2 LYS B 115 -0.875 -8.499 3.801 1.00 12.15 H new ATOM 0 HE3 LYS B 115 -1.972 -8.219 2.463 1.00 12.15 H new ATOM 0 HZ1 LYS B 115 -2.970 -7.207 4.310 1.00 12.12 H new ATOM 0 HZ2 LYS B 115 -3.826 -8.663 4.131 1.00 12.12 H new ATOM 0 HZ3 LYS B 115 -2.643 -8.516 5.341 1.00 12.12 H new ATOM 1024 N LEU B 116 2.253 -8.249 2.316 1.00 3.22 N ATOM 1025 CA LEU B 116 2.246 -6.821 1.963 1.00 44.34 C ATOM 1026 C LEU B 116 3.087 -6.548 0.712 1.00 62.43 C ATOM 1027 O LEU B 116 2.741 -5.676 -0.081 1.00 22.35 O ATOM 1028 CB LEU B 116 2.705 -5.940 3.153 1.00 13.21 C ATOM 1029 CG LEU B 116 1.682 -5.800 4.323 1.00 12.25 C ATOM 1030 CD1 LEU B 116 2.291 -5.052 5.510 1.00 65.01 C ATOM 1031 CD2 LEU B 116 0.388 -5.120 3.855 1.00 35.22 C ATOM 0 H LEU B 116 2.736 -8.449 3.192 1.00 3.22 H new ATOM 0 HA LEU B 116 1.216 -6.549 1.732 1.00 44.34 H new ATOM 0 HB2 LEU B 116 3.631 -6.354 3.552 1.00 13.21 H new ATOM 0 HB3 LEU B 116 2.937 -4.944 2.776 1.00 13.21 H new ATOM 0 HG LEU B 116 1.430 -6.807 4.656 1.00 12.25 H new ATOM 0 HD11 LEU B 116 1.552 -4.972 6.307 1.00 65.01 H new ATOM 0 HD12 LEU B 116 3.162 -5.597 5.875 1.00 65.01 H new ATOM 0 HD13 LEU B 116 2.594 -4.054 5.194 1.00 65.01 H new ATOM 0 HD21 LEU B 116 -0.304 -5.038 4.693 1.00 35.22 H new ATOM 0 HD22 LEU B 116 0.617 -4.125 3.475 1.00 35.22 H new ATOM 0 HD23 LEU B 116 -0.070 -5.714 3.064 1.00 35.22 H new ATOM 1043 N LYS B 117 4.168 -7.310 0.531 1.00 21.02 N ATOM 1044 CA LYS B 117 4.993 -7.238 -0.693 1.00 53.11 C ATOM 1045 C LYS B 117 4.216 -7.823 -1.890 1.00 3.20 C ATOM 1046 O LYS B 117 4.260 -7.278 -3.000 1.00 62.34 O ATOM 1047 CB LYS B 117 6.342 -7.973 -0.499 1.00 53.42 C ATOM 1048 CG LYS B 117 7.267 -7.330 0.563 1.00 55.53 C ATOM 1049 CD LYS B 117 8.614 -8.082 0.715 1.00 22.23 C ATOM 1050 CE LYS B 117 8.440 -9.510 1.246 1.00 63.42 C ATOM 1051 NZ LYS B 117 9.736 -10.243 1.312 1.00 72.22 N ATOM 0 H LYS B 117 4.500 -7.989 1.216 1.00 21.02 H new ATOM 0 HA LYS B 117 5.214 -6.191 -0.899 1.00 53.11 H new ATOM 0 HB2 LYS B 117 6.143 -9.006 -0.214 1.00 53.42 H new ATOM 0 HB3 LYS B 117 6.868 -8.002 -1.453 1.00 53.42 H new ATOM 0 HG2 LYS B 117 7.463 -6.293 0.289 1.00 55.53 H new ATOM 0 HG3 LYS B 117 6.754 -7.314 1.524 1.00 55.53 H new ATOM 0 HD2 LYS B 117 9.116 -8.117 -0.252 1.00 22.23 H new ATOM 0 HD3 LYS B 117 9.262 -7.524 1.391 1.00 22.23 H new ATOM 0 HE2 LYS B 117 7.992 -9.475 2.239 1.00 63.42 H new ATOM 0 HE3 LYS B 117 7.748 -10.054 0.603 1.00 63.42 H new ATOM 0 HZ1 LYS B 117 9.573 -11.204 1.676 1.00 72.22 H new ATOM 0 HZ2 LYS B 117 10.152 -10.299 0.360 1.00 72.22 H new ATOM 0 HZ3 LYS B 117 10.388 -9.739 1.946 1.00 72.22 H new ATOM 1065 N ALA B 118 3.475 -8.913 -1.628 1.00 33.42 N ATOM 1066 CA ALA B 118 2.716 -9.654 -2.654 1.00 53.30 C ATOM 1067 C ALA B 118 1.507 -8.833 -3.168 1.00 44.34 C ATOM 1068 O ALA B 118 1.265 -8.742 -4.384 1.00 42.33 O ATOM 1069 CB ALA B 118 2.261 -11.001 -2.061 1.00 1.53 C ATOM 0 H ALA B 118 3.384 -9.309 -0.692 1.00 33.42 H new ATOM 0 HA ALA B 118 3.361 -9.835 -3.514 1.00 53.30 H new ATOM 0 HB1 ALA B 118 1.699 -11.557 -2.811 1.00 1.53 H new ATOM 0 HB2 ALA B 118 3.134 -11.579 -1.759 1.00 1.53 H new ATOM 0 HB3 ALA B 118 1.628 -10.821 -1.192 1.00 1.53 H new ATOM 1075 N GLN B 119 0.787 -8.205 -2.219 1.00 13.04 N ATOM 1076 CA GLN B 119 -0.435 -7.439 -2.502 1.00 12.30 C ATOM 1077 C GLN B 119 -0.083 -6.102 -3.157 1.00 4.45 C ATOM 1078 O GLN B 119 -0.801 -5.659 -4.047 1.00 64.21 O ATOM 1079 CB GLN B 119 -1.266 -7.229 -1.192 1.00 61.42 C ATOM 1080 CG GLN B 119 -0.556 -6.419 -0.072 1.00 65.14 C ATOM 1081 CD GLN B 119 -0.685 -4.895 -0.157 1.00 30.43 C ATOM 1082 OE1 GLN B 119 -1.681 -4.356 -0.633 1.00 43.44 O ATOM 1083 NE2 GLN B 119 0.356 -4.191 0.273 1.00 71.12 N ATOM 0 H GLN B 119 1.040 -8.217 -1.231 1.00 13.04 H new ATOM 0 HA GLN B 119 -1.052 -8.005 -3.201 1.00 12.30 H new ATOM 0 HB2 GLN B 119 -2.196 -6.722 -1.450 1.00 61.42 H new ATOM 0 HB3 GLN B 119 -1.536 -8.207 -0.793 1.00 61.42 H new ATOM 0 HG2 GLN B 119 -0.952 -6.744 0.890 1.00 65.14 H new ATOM 0 HG3 GLN B 119 0.504 -6.675 -0.083 1.00 65.14 H new ATOM 0 HE21 GLN B 119 1.168 -4.669 0.663 1.00 71.12 H new ATOM 0 HE22 GLN B 119 0.343 -3.173 0.213 1.00 71.12 H new ATOM 1092 N LEU B 120 1.030 -5.460 -2.702 1.00 30.31 N ATOM 1093 CA LEU B 120 1.447 -4.154 -3.243 1.00 73.43 C ATOM 1094 C LEU B 120 1.894 -4.337 -4.679 1.00 43.34 C ATOM 1095 O LEU B 120 1.640 -3.474 -5.503 1.00 72.12 O ATOM 1096 CB LEU B 120 2.544 -3.442 -2.374 1.00 62.44 C ATOM 1097 CG LEU B 120 4.078 -3.791 -2.599 1.00 1.24 C ATOM 1098 CD1 LEU B 120 4.727 -2.970 -3.745 1.00 63.50 C ATOM 1099 CD2 LEU B 120 4.893 -3.603 -1.309 1.00 41.43 C ATOM 0 H LEU B 120 1.640 -5.827 -1.972 1.00 30.31 H new ATOM 0 HA LEU B 120 0.587 -3.485 -3.210 1.00 73.43 H new ATOM 0 HB2 LEU B 120 2.430 -2.368 -2.522 1.00 62.44 H new ATOM 0 HB3 LEU B 120 2.314 -3.646 -1.328 1.00 62.44 H new ATOM 0 HG LEU B 120 4.098 -4.841 -2.891 1.00 1.24 H new ATOM 0 HD11 LEU B 120 5.774 -3.254 -3.848 1.00 63.50 H new ATOM 0 HD12 LEU B 120 4.202 -3.171 -4.679 1.00 63.50 H new ATOM 0 HD13 LEU B 120 4.661 -1.907 -3.514 1.00 63.50 H new ATOM 0 HD21 LEU B 120 5.937 -3.850 -1.499 1.00 41.43 H new ATOM 0 HD22 LEU B 120 4.820 -2.566 -0.980 1.00 41.43 H new ATOM 0 HD23 LEU B 120 4.500 -4.259 -0.532 1.00 41.43 H new ATOM 1111 N HIS B 121 2.557 -5.489 -4.963 1.00 34.53 N ATOM 1112 CA HIS B 121 2.961 -5.848 -6.325 1.00 1.52 C ATOM 1113 C HIS B 121 1.719 -5.859 -7.218 1.00 42.22 C ATOM 1114 O HIS B 121 1.669 -5.126 -8.192 1.00 2.24 O ATOM 1115 CB HIS B 121 3.698 -7.215 -6.386 1.00 3.03 C ATOM 1116 CG HIS B 121 4.139 -7.584 -7.788 1.00 3.25 C ATOM 1117 ND1 HIS B 121 3.599 -8.630 -8.506 1.00 65.31 N ATOM 1118 CD2 HIS B 121 5.053 -7.010 -8.613 1.00 55.12 C ATOM 1119 CE1 HIS B 121 4.156 -8.682 -9.698 1.00 71.54 C ATOM 1120 NE2 HIS B 121 5.041 -7.711 -9.789 1.00 60.43 N ATOM 0 H HIS B 121 2.818 -6.178 -4.257 1.00 34.53 H new ATOM 0 HA HIS B 121 3.673 -5.103 -6.681 1.00 1.52 H new ATOM 0 HB2 HIS B 121 4.570 -7.182 -5.733 1.00 3.03 H new ATOM 0 HB3 HIS B 121 3.041 -7.994 -6.000 1.00 3.03 H new ATOM 0 HD2 HIS B 121 5.675 -6.157 -8.383 1.00 55.12 H new ATOM 0 HE1 HIS B 121 3.926 -9.400 -10.471 1.00 71.54 H new ATOM 0 HE2 HIS B 121 5.623 -7.513 -10.603 1.00 60.43 H new ATOM 1129 N ASP B 122 0.698 -6.626 -6.788 1.00 43.34 N ATOM 1130 CA ASP B 122 -0.595 -6.752 -7.491 1.00 60.34 C ATOM 1131 C ASP B 122 -1.250 -5.377 -7.751 1.00 51.13 C ATOM 1132 O ASP B 122 -1.630 -5.074 -8.883 1.00 3.41 O ATOM 1133 CB ASP B 122 -1.546 -7.664 -6.669 1.00 33.33 C ATOM 1134 CG ASP B 122 -2.943 -7.821 -7.301 1.00 70.25 C ATOM 1135 OD1 ASP B 122 -3.944 -7.401 -6.684 1.00 51.14 O ATOM 1136 OD2 ASP B 122 -3.045 -8.375 -8.415 1.00 52.13 O ATOM 0 H ASP B 122 0.748 -7.181 -5.934 1.00 43.34 H new ATOM 0 HA ASP B 122 -0.408 -7.204 -8.465 1.00 60.34 H new ATOM 0 HB2 ASP B 122 -1.091 -8.649 -6.563 1.00 33.33 H new ATOM 0 HB3 ASP B 122 -1.654 -7.253 -5.665 1.00 33.33 H new ATOM 1141 N THR B 123 -1.306 -4.543 -6.695 1.00 44.10 N ATOM 1142 CA THR B 123 -1.953 -3.218 -6.736 1.00 2.15 C ATOM 1143 C THR B 123 -1.157 -2.247 -7.649 1.00 73.11 C ATOM 1144 O THR B 123 -1.740 -1.395 -8.323 1.00 62.31 O ATOM 1145 CB THR B 123 -2.092 -2.616 -5.284 1.00 61.14 C ATOM 1146 OG1 THR B 123 -2.576 -3.616 -4.367 1.00 72.14 O ATOM 1147 CG2 THR B 123 -3.063 -1.424 -5.238 1.00 44.02 C ATOM 0 H THR B 123 -0.902 -4.770 -5.786 1.00 44.10 H new ATOM 0 HA THR B 123 -2.952 -3.344 -7.153 1.00 2.15 H new ATOM 0 HB THR B 123 -1.097 -2.276 -4.997 1.00 61.14 H new ATOM 0 HG1 THR B 123 -1.859 -4.254 -4.171 1.00 72.14 H new ATOM 0 HG21 THR B 123 -3.125 -1.044 -4.218 1.00 44.02 H new ATOM 0 HG22 THR B 123 -2.702 -0.635 -5.898 1.00 44.02 H new ATOM 0 HG23 THR B 123 -4.051 -1.747 -5.566 1.00 44.02 H new ATOM 1155 N ASN B 124 0.186 -2.421 -7.674 1.00 51.04 N ATOM 1156 CA ASN B 124 1.102 -1.613 -8.509 1.00 31.44 C ATOM 1157 C ASN B 124 1.020 -2.047 -9.983 1.00 53.44 C ATOM 1158 O ASN B 124 1.247 -1.229 -10.870 1.00 64.15 O ATOM 1159 CB ASN B 124 2.585 -1.700 -8.012 1.00 52.15 C ATOM 1160 CG ASN B 124 2.909 -0.893 -6.733 1.00 24.33 C ATOM 1161 OD1 ASN B 124 1.982 -0.805 -5.789 1.00 30.02 O flip ATOM 1162 ND2 ASN B 124 4.017 -0.372 -6.584 1.00 14.14 N flip ATOM 0 H ASN B 124 0.664 -3.127 -7.114 1.00 51.04 H new ATOM 0 HA ASN B 124 0.780 -0.576 -8.419 1.00 31.44 H new ATOM 0 HB2 ASN B 124 2.828 -2.747 -7.831 1.00 52.15 H new ATOM 0 HB3 ASN B 124 3.239 -1.355 -8.813 1.00 52.15 H new ATOM 0 HD21 ASN B 124 4.720 -0.449 -7.319 1.00 14.14 H new ATOM 0 HD22 ASN B 124 4.231 0.135 -5.725 1.00 14.14 H new ATOM 1169 N MET B 125 0.719 -3.341 -10.237 1.00 72.02 N ATOM 1170 CA MET B 125 0.519 -3.854 -11.600 1.00 54.24 C ATOM 1171 C MET B 125 -0.768 -3.282 -12.205 1.00 62.23 C ATOM 1172 O MET B 125 -0.779 -2.890 -13.373 1.00 55.52 O ATOM 1173 CB MET B 125 0.471 -5.402 -11.600 1.00 41.21 C ATOM 1174 CG MET B 125 1.755 -6.066 -11.090 1.00 65.01 C ATOM 1175 SD MET B 125 3.234 -5.661 -12.051 1.00 2.42 S ATOM 1176 CE MET B 125 2.793 -6.245 -13.683 1.00 35.02 C ATOM 0 H MET B 125 0.610 -4.047 -9.509 1.00 72.02 H new ATOM 0 HA MET B 125 1.363 -3.535 -12.212 1.00 54.24 H new ATOM 0 HB2 MET B 125 -0.365 -5.729 -10.982 1.00 41.21 H new ATOM 0 HB3 MET B 125 0.273 -5.749 -12.614 1.00 41.21 H new ATOM 0 HG2 MET B 125 1.917 -5.770 -10.054 1.00 65.01 H new ATOM 0 HG3 MET B 125 1.618 -7.147 -11.094 1.00 65.01 H new ATOM 0 HE1 MET B 125 3.682 -6.272 -14.313 1.00 35.02 H new ATOM 0 HE2 MET B 125 2.370 -7.247 -13.609 1.00 35.02 H new ATOM 0 HE3 MET B 125 2.057 -5.573 -14.123 1.00 35.02 H new ATOM 1186 N GLU B 126 -1.848 -3.228 -11.390 1.00 13.04 N ATOM 1187 CA GLU B 126 -3.135 -2.648 -11.822 1.00 21.22 C ATOM 1188 C GLU B 126 -2.980 -1.139 -12.031 1.00 52.32 C ATOM 1189 O GLU B 126 -3.554 -0.578 -12.947 1.00 10.11 O ATOM 1190 CB GLU B 126 -4.269 -2.903 -10.800 1.00 14.42 C ATOM 1191 CG GLU B 126 -4.381 -4.342 -10.283 1.00 45.11 C ATOM 1192 CD GLU B 126 -5.749 -4.648 -9.662 1.00 5.15 C ATOM 1193 OE1 GLU B 126 -5.928 -4.430 -8.449 1.00 21.12 O ATOM 1194 OE2 GLU B 126 -6.659 -5.104 -10.396 1.00 51.53 O ATOM 0 H GLU B 126 -1.850 -3.579 -10.432 1.00 13.04 H new ATOM 0 HA GLU B 126 -3.410 -3.138 -12.756 1.00 21.22 H new ATOM 0 HB2 GLU B 126 -4.122 -2.240 -9.948 1.00 14.42 H new ATOM 0 HB3 GLU B 126 -5.218 -2.626 -11.260 1.00 14.42 H new ATOM 0 HG2 GLU B 126 -4.198 -5.033 -11.105 1.00 45.11 H new ATOM 0 HG3 GLU B 126 -3.603 -4.517 -9.540 1.00 45.11 H new ATOM 1201 N LEU B 127 -2.185 -0.512 -11.150 1.00 51.03 N ATOM 1202 CA LEU B 127 -1.867 0.922 -11.207 1.00 12.55 C ATOM 1203 C LEU B 127 -1.148 1.266 -12.535 1.00 22.11 C ATOM 1204 O LEU B 127 -1.528 2.216 -13.231 1.00 20.13 O ATOM 1205 CB LEU B 127 -1.011 1.298 -9.950 1.00 2.11 C ATOM 1206 CG LEU B 127 -0.782 2.816 -9.641 1.00 31.23 C ATOM 1207 CD1 LEU B 127 0.361 3.450 -10.476 1.00 3.41 C ATOM 1208 CD2 LEU B 127 -2.106 3.588 -9.808 1.00 22.33 C ATOM 0 H LEU B 127 -1.740 -0.993 -10.369 1.00 51.03 H new ATOM 0 HA LEU B 127 -2.782 1.514 -11.188 1.00 12.55 H new ATOM 0 HB2 LEU B 127 -1.484 0.848 -9.077 1.00 2.11 H new ATOM 0 HB3 LEU B 127 -0.033 0.829 -10.060 1.00 2.11 H new ATOM 0 HG LEU B 127 -0.453 2.890 -8.605 1.00 31.23 H new ATOM 0 HD11 LEU B 127 0.465 4.502 -10.211 1.00 3.41 H new ATOM 0 HD12 LEU B 127 1.296 2.930 -10.267 1.00 3.41 H new ATOM 0 HD13 LEU B 127 0.127 3.364 -11.537 1.00 3.41 H new ATOM 0 HD21 LEU B 127 -1.941 4.644 -9.592 1.00 22.33 H new ATOM 0 HD22 LEU B 127 -2.464 3.479 -10.832 1.00 22.33 H new ATOM 0 HD23 LEU B 127 -2.850 3.188 -9.119 1.00 22.33 H new ATOM 1220 N THR B 128 -0.127 0.456 -12.874 1.00 73.32 N ATOM 1221 CA THR B 128 0.660 0.607 -14.112 1.00 31.41 C ATOM 1222 C THR B 128 -0.205 0.271 -15.356 1.00 64.04 C ATOM 1223 O THR B 128 -0.030 0.865 -16.430 1.00 25.41 O ATOM 1224 CB THR B 128 1.945 -0.294 -14.045 1.00 44.03 C ATOM 1225 OG1 THR B 128 2.720 0.061 -12.885 1.00 43.04 O ATOM 1226 CG2 THR B 128 2.845 -0.165 -15.287 1.00 2.32 C ATOM 0 H THR B 128 0.176 -0.326 -12.293 1.00 73.32 H new ATOM 0 HA THR B 128 0.978 1.645 -14.206 1.00 31.41 H new ATOM 0 HB THR B 128 1.597 -1.326 -13.995 1.00 44.03 H new ATOM 0 HG1 THR B 128 2.310 -0.331 -12.085 1.00 43.04 H new ATOM 0 HG21 THR B 128 3.714 -0.813 -15.175 1.00 2.32 H new ATOM 0 HG22 THR B 128 2.285 -0.459 -16.175 1.00 2.32 H new ATOM 0 HG23 THR B 128 3.175 0.869 -15.392 1.00 2.32 H new ATOM 1234 N ASP B 129 -1.171 -0.648 -15.176 1.00 20.32 N ATOM 1235 CA ASP B 129 -2.100 -1.060 -16.241 1.00 11.13 C ATOM 1236 C ASP B 129 -3.054 0.105 -16.573 1.00 54.00 C ATOM 1237 O ASP B 129 -3.199 0.490 -17.733 1.00 51.14 O ATOM 1238 CB ASP B 129 -2.900 -2.319 -15.800 1.00 15.33 C ATOM 1239 CG ASP B 129 -3.675 -2.989 -16.952 1.00 73.31 C ATOM 1240 OD1 ASP B 129 -4.790 -2.541 -17.287 1.00 20.13 O ATOM 1241 OD2 ASP B 129 -3.164 -3.974 -17.530 1.00 24.05 O ATOM 0 H ASP B 129 -1.328 -1.125 -14.288 1.00 20.32 H new ATOM 0 HA ASP B 129 -1.533 -1.316 -17.136 1.00 11.13 H new ATOM 0 HB2 ASP B 129 -2.211 -3.044 -15.366 1.00 15.33 H new ATOM 0 HB3 ASP B 129 -3.602 -2.037 -15.016 1.00 15.33 H new ATOM 1246 N LEU B 130 -3.646 0.687 -15.517 1.00 60.11 N ATOM 1247 CA LEU B 130 -4.617 1.788 -15.631 1.00 42.21 C ATOM 1248 C LEU B 130 -3.954 3.047 -16.194 1.00 51.22 C ATOM 1249 O LEU B 130 -4.599 3.784 -16.945 1.00 33.43 O ATOM 1250 CB LEU B 130 -5.268 2.105 -14.258 1.00 44.21 C ATOM 1251 CG LEU B 130 -6.168 0.994 -13.653 1.00 43.54 C ATOM 1252 CD1 LEU B 130 -6.600 1.341 -12.222 1.00 65.51 C ATOM 1253 CD2 LEU B 130 -7.382 0.695 -14.556 1.00 50.13 C ATOM 0 H LEU B 130 -3.463 0.405 -14.554 1.00 60.11 H new ATOM 0 HA LEU B 130 -5.397 1.464 -16.320 1.00 42.21 H new ATOM 0 HB2 LEU B 130 -4.474 2.328 -13.546 1.00 44.21 H new ATOM 0 HB3 LEU B 130 -5.866 3.011 -14.363 1.00 44.21 H new ATOM 0 HG LEU B 130 -5.572 0.083 -13.601 1.00 43.54 H new ATOM 0 HD11 LEU B 130 -7.229 0.543 -11.828 1.00 65.51 H new ATOM 0 HD12 LEU B 130 -5.717 1.452 -11.592 1.00 65.51 H new ATOM 0 HD13 LEU B 130 -7.161 2.275 -12.228 1.00 65.51 H new ATOM 0 HD21 LEU B 130 -7.990 -0.087 -14.101 1.00 50.13 H new ATOM 0 HD22 LEU B 130 -7.981 1.598 -14.672 1.00 50.13 H new ATOM 0 HD23 LEU B 130 -7.035 0.362 -15.534 1.00 50.13 H new ATOM 1265 N LYS B 131 -2.665 3.297 -15.822 1.00 64.35 N ATOM 1266 CA LYS B 131 -1.925 4.463 -16.344 1.00 12.40 C ATOM 1267 C LYS B 131 -1.572 4.248 -17.818 1.00 13.21 C ATOM 1268 O LYS B 131 -1.435 5.219 -18.550 1.00 42.51 O ATOM 1269 CB LYS B 131 -0.637 4.823 -15.545 1.00 22.10 C ATOM 1270 CG LYS B 131 0.612 3.955 -15.856 1.00 71.12 C ATOM 1271 CD LYS B 131 1.932 4.723 -15.648 1.00 70.21 C ATOM 1272 CE LYS B 131 3.159 3.918 -16.105 1.00 60.42 C ATOM 1273 NZ LYS B 131 3.177 3.747 -17.585 1.00 10.14 N ATOM 0 H LYS B 131 -2.134 2.714 -15.175 1.00 64.35 H new ATOM 0 HA LYS B 131 -2.600 5.311 -16.227 1.00 12.40 H new ATOM 0 HB2 LYS B 131 -0.390 5.866 -15.741 1.00 22.10 H new ATOM 0 HB3 LYS B 131 -0.857 4.742 -14.481 1.00 22.10 H new ATOM 0 HG2 LYS B 131 0.605 3.072 -15.217 1.00 71.12 H new ATOM 0 HG3 LYS B 131 0.559 3.603 -16.886 1.00 71.12 H new ATOM 0 HD2 LYS B 131 1.892 5.663 -16.198 1.00 70.21 H new ATOM 0 HD3 LYS B 131 2.039 4.976 -14.593 1.00 70.21 H new ATOM 0 HE2 LYS B 131 4.069 4.426 -15.785 1.00 60.42 H new ATOM 0 HE3 LYS B 131 3.154 2.940 -15.624 1.00 60.42 H new ATOM 0 HZ1 LYS B 131 4.151 3.853 -17.935 1.00 10.14 H new ATOM 0 HZ2 LYS B 131 2.822 2.800 -17.829 1.00 10.14 H new ATOM 0 HZ3 LYS B 131 2.571 4.468 -18.025 1.00 10.14 H new ATOM 1287 N LEU B 132 -1.414 2.970 -18.228 1.00 64.32 N ATOM 1288 CA LEU B 132 -1.138 2.611 -19.626 1.00 61.33 C ATOM 1289 C LEU B 132 -2.330 3.012 -20.512 1.00 55.30 C ATOM 1290 O LEU B 132 -2.167 3.744 -21.492 1.00 34.33 O ATOM 1291 CB LEU B 132 -0.825 1.093 -19.757 1.00 64.52 C ATOM 1292 CG LEU B 132 -0.320 0.614 -21.156 1.00 12.33 C ATOM 1293 CD1 LEU B 132 0.973 1.343 -21.577 1.00 35.32 C ATOM 1294 CD2 LEU B 132 -0.140 -0.920 -21.191 1.00 25.43 C ATOM 0 H LEU B 132 -1.475 2.168 -17.600 1.00 64.32 H new ATOM 0 HA LEU B 132 -0.256 3.156 -19.963 1.00 61.33 H new ATOM 0 HB2 LEU B 132 -0.072 0.832 -19.013 1.00 64.52 H new ATOM 0 HB3 LEU B 132 -1.727 0.534 -19.508 1.00 64.52 H new ATOM 0 HG LEU B 132 -1.087 0.874 -21.885 1.00 12.33 H new ATOM 0 HD11 LEU B 132 1.292 0.982 -22.555 1.00 35.32 H new ATOM 0 HD12 LEU B 132 0.785 2.415 -21.629 1.00 35.32 H new ATOM 0 HD13 LEU B 132 1.756 1.147 -20.845 1.00 35.32 H new ATOM 0 HD21 LEU B 132 0.212 -1.223 -22.177 1.00 25.43 H new ATOM 0 HD22 LEU B 132 0.590 -1.218 -20.438 1.00 25.43 H new ATOM 0 HD23 LEU B 132 -1.095 -1.403 -20.983 1.00 25.43 H new ATOM 1306 N GLN B 133 -3.548 2.574 -20.126 1.00 44.11 N ATOM 1307 CA GLN B 133 -4.779 2.965 -20.846 1.00 63.31 C ATOM 1308 C GLN B 133 -5.123 4.447 -20.612 1.00 35.11 C ATOM 1309 O GLN B 133 -5.855 5.037 -21.404 1.00 4.11 O ATOM 1310 CB GLN B 133 -5.981 2.037 -20.506 1.00 45.11 C ATOM 1311 CG GLN B 133 -5.976 0.676 -21.255 1.00 61.50 C ATOM 1312 CD GLN B 133 -5.028 -0.370 -20.679 1.00 23.51 C ATOM 1313 OE1 GLN B 133 -4.380 -1.115 -21.418 1.00 64.03 O ATOM 1314 NE2 GLN B 133 -5.028 -0.517 -19.372 1.00 23.32 N ATOM 0 H GLN B 133 -3.704 1.957 -19.329 1.00 44.11 H new ATOM 0 HA GLN B 133 -4.576 2.838 -21.909 1.00 63.31 H new ATOM 0 HB2 GLN B 133 -5.985 1.847 -19.433 1.00 45.11 H new ATOM 0 HB3 GLN B 133 -6.907 2.563 -20.740 1.00 45.11 H new ATOM 0 HG2 GLN B 133 -6.988 0.271 -21.249 1.00 61.50 H new ATOM 0 HG3 GLN B 133 -5.709 0.852 -22.297 1.00 61.50 H new ATOM 0 HE21 GLN B 133 -5.574 0.116 -18.788 1.00 23.32 H new ATOM 0 HE22 GLN B 133 -4.481 -1.264 -18.943 1.00 23.32 H new ATOM 1323 N LEU B 134 -4.597 5.040 -19.524 1.00 73.52 N ATOM 1324 CA LEU B 134 -4.709 6.493 -19.253 1.00 12.31 C ATOM 1325 C LEU B 134 -3.948 7.243 -20.378 1.00 53.13 C ATOM 1326 O LEU B 134 -4.503 8.118 -21.032 1.00 24.13 O ATOM 1327 CB LEU B 134 -4.122 6.813 -17.825 1.00 42.00 C ATOM 1328 CG LEU B 134 -4.787 7.921 -16.939 1.00 22.33 C ATOM 1329 CD1 LEU B 134 -4.672 9.327 -17.561 1.00 72.53 C ATOM 1330 CD2 LEU B 134 -6.254 7.550 -16.575 1.00 21.23 C ATOM 0 H LEU B 134 -4.082 4.530 -18.806 1.00 73.52 H new ATOM 0 HA LEU B 134 -5.749 6.819 -19.250 1.00 12.31 H new ATOM 0 HB2 LEU B 134 -4.138 5.886 -17.252 1.00 42.00 H new ATOM 0 HB3 LEU B 134 -3.076 7.088 -17.958 1.00 42.00 H new ATOM 0 HG LEU B 134 -4.224 7.964 -16.006 1.00 22.33 H new ATOM 0 HD11 LEU B 134 -5.149 10.055 -16.905 1.00 72.53 H new ATOM 0 HD12 LEU B 134 -3.620 9.585 -17.685 1.00 72.53 H new ATOM 0 HD13 LEU B 134 -5.165 9.336 -18.533 1.00 72.53 H new ATOM 0 HD21 LEU B 134 -6.687 8.339 -15.960 1.00 21.23 H new ATOM 0 HD22 LEU B 134 -6.839 7.440 -17.488 1.00 21.23 H new ATOM 0 HD23 LEU B 134 -6.265 6.611 -16.021 1.00 21.23 H new ATOM 1342 N GLU B 135 -2.700 6.799 -20.651 1.00 32.34 N ATOM 1343 CA GLU B 135 -1.814 7.430 -21.661 1.00 75.41 C ATOM 1344 C GLU B 135 -2.105 6.915 -23.096 1.00 24.24 C ATOM 1345 O GLU B 135 -1.450 7.344 -24.045 1.00 73.43 O ATOM 1346 CB GLU B 135 -0.307 7.270 -21.254 1.00 54.24 C ATOM 1347 CG GLU B 135 0.206 5.825 -21.085 1.00 34.45 C ATOM 1348 CD GLU B 135 1.560 5.728 -20.351 1.00 13.25 C ATOM 1349 OE1 GLU B 135 2.622 5.762 -21.005 1.00 74.21 O ATOM 1350 OE2 GLU B 135 1.565 5.627 -19.102 1.00 64.44 O ATOM 0 H GLU B 135 -2.279 5.998 -20.181 1.00 32.34 H new ATOM 0 HA GLU B 135 -2.033 8.498 -21.680 1.00 75.41 H new ATOM 0 HB2 GLU B 135 0.305 7.764 -22.008 1.00 54.24 H new ATOM 0 HB3 GLU B 135 -0.148 7.801 -20.316 1.00 54.24 H new ATOM 0 HG2 GLU B 135 -0.537 5.247 -20.535 1.00 34.45 H new ATOM 0 HG3 GLU B 135 0.303 5.366 -22.069 1.00 34.45 H new ATOM 1357 N LYS B 136 -3.082 5.986 -23.244 1.00 50.13 N ATOM 1358 CA LYS B 136 -3.680 5.633 -24.564 1.00 63.41 C ATOM 1359 C LYS B 136 -4.912 6.528 -24.874 1.00 3.43 C ATOM 1360 O LYS B 136 -5.005 7.132 -25.954 1.00 2.03 O ATOM 1361 CB LYS B 136 -4.122 4.146 -24.592 1.00 71.40 C ATOM 1362 CG LYS B 136 -2.981 3.118 -24.480 1.00 5.32 C ATOM 1363 CD LYS B 136 -3.517 1.673 -24.321 1.00 3.41 C ATOM 1364 CE LYS B 136 -2.392 0.637 -24.202 1.00 75.30 C ATOM 1365 NZ LYS B 136 -2.901 -0.733 -23.911 1.00 21.31 N ATOM 0 H LYS B 136 -3.477 5.463 -22.463 1.00 50.13 H new ATOM 0 HA LYS B 136 -2.913 5.798 -25.321 1.00 63.41 H new ATOM 0 HB2 LYS B 136 -4.823 3.977 -23.774 1.00 71.40 H new ATOM 0 HB3 LYS B 136 -4.664 3.963 -25.520 1.00 71.40 H new ATOM 0 HG2 LYS B 136 -2.352 3.176 -25.368 1.00 5.32 H new ATOM 0 HG3 LYS B 136 -2.351 3.367 -23.626 1.00 5.32 H new ATOM 0 HD2 LYS B 136 -4.150 1.620 -23.436 1.00 3.41 H new ATOM 0 HD3 LYS B 136 -4.145 1.426 -25.177 1.00 3.41 H new ATOM 0 HE2 LYS B 136 -1.821 0.619 -25.130 1.00 75.30 H new ATOM 0 HE3 LYS B 136 -1.706 0.941 -23.411 1.00 75.30 H new ATOM 0 HZ1 LYS B 136 -2.105 -1.402 -23.891 1.00 21.31 H new ATOM 0 HZ2 LYS B 136 -3.380 -0.737 -22.988 1.00 21.31 H new ATOM 0 HZ3 LYS B 136 -3.574 -1.018 -24.651 1.00 21.31 H new ATOM 1379 N ALA B 137 -5.857 6.569 -23.908 1.00 42.01 N ATOM 1380 CA ALA B 137 -7.152 7.286 -24.035 1.00 72.23 C ATOM 1381 C ALA B 137 -6.942 8.804 -24.203 1.00 10.01 C ATOM 1382 O ALA B 137 -7.679 9.470 -24.938 1.00 32.42 O ATOM 1383 CB ALA B 137 -8.029 6.989 -22.811 1.00 71.42 C ATOM 0 H ALA B 137 -5.744 6.102 -23.008 1.00 42.01 H new ATOM 0 HA ALA B 137 -7.658 6.928 -24.932 1.00 72.23 H new ATOM 0 HB1 ALA B 137 -8.978 7.516 -22.907 1.00 71.42 H new ATOM 0 HB2 ALA B 137 -8.214 5.917 -22.748 1.00 71.42 H new ATOM 0 HB3 ALA B 137 -7.518 7.323 -21.908 1.00 71.42 H new ATOM 1389 N THR B 138 -5.938 9.328 -23.494 1.00 53.30 N ATOM 1390 CA THR B 138 -5.466 10.710 -23.651 1.00 30.11 C ATOM 1391 C THR B 138 -3.955 10.702 -23.933 1.00 14.12 C ATOM 1392 O THR B 138 -3.339 9.637 -24.024 1.00 4.43 O ATOM 1393 CB THR B 138 -5.789 11.577 -22.382 1.00 51.34 C ATOM 1394 OG1 THR B 138 -5.464 12.956 -22.613 1.00 63.54 O ATOM 1395 CG2 THR B 138 -5.050 11.100 -21.122 1.00 60.31 C ATOM 0 H THR B 138 -5.424 8.801 -22.788 1.00 53.30 H new ATOM 0 HA THR B 138 -5.990 11.163 -24.492 1.00 30.11 H new ATOM 0 HB THR B 138 -6.859 11.462 -22.207 1.00 51.34 H new ATOM 0 HG1 THR B 138 -6.222 13.403 -23.044 1.00 63.54 H new ATOM 0 HG21 THR B 138 -5.315 11.740 -20.280 1.00 60.31 H new ATOM 0 HG22 THR B 138 -5.335 10.072 -20.900 1.00 60.31 H new ATOM 0 HG23 THR B 138 -3.974 11.150 -21.290 1.00 60.31 H new ATOM 1403 N GLN B 139 -3.369 11.901 -24.084 1.00 64.24 N ATOM 1404 CA GLN B 139 -1.921 12.067 -24.243 1.00 61.24 C ATOM 1405 C GLN B 139 -1.219 11.848 -22.895 1.00 41.32 C ATOM 1406 O GLN B 139 -0.102 11.323 -22.856 1.00 70.30 O ATOM 1407 CB GLN B 139 -1.578 13.465 -24.873 1.00 55.45 C ATOM 1408 CG GLN B 139 -2.391 14.704 -24.390 1.00 74.02 C ATOM 1409 CD GLN B 139 -2.197 15.112 -22.920 1.00 72.44 C ATOM 1410 OE1 GLN B 139 -1.233 15.787 -22.571 1.00 74.13 O ATOM 1411 NE2 GLN B 139 -3.163 14.793 -22.061 1.00 11.15 N ATOM 0 H GLN B 139 -3.888 12.779 -24.099 1.00 64.24 H new ATOM 0 HA GLN B 139 -1.550 11.314 -24.938 1.00 61.24 H new ATOM 0 HB2 GLN B 139 -0.523 13.665 -24.688 1.00 55.45 H new ATOM 0 HB3 GLN B 139 -1.702 13.384 -25.953 1.00 55.45 H new ATOM 0 HG2 GLN B 139 -2.127 15.554 -25.019 1.00 74.02 H new ATOM 0 HG3 GLN B 139 -3.450 14.504 -24.553 1.00 74.02 H new ATOM 0 HE21 GLN B 139 -3.956 14.231 -22.371 1.00 11.15 H new ATOM 0 HE22 GLN B 139 -3.110 15.111 -21.093 1.00 11.15 H new ATOM 1420 N ARG B 140 -1.929 12.221 -21.806 1.00 53.12 N ATOM 1421 CA ARG B 140 -1.412 12.229 -20.410 1.00 54.13 C ATOM 1422 C ARG B 140 -0.255 13.252 -20.254 1.00 53.35 C ATOM 1423 O ARG B 140 0.678 13.273 -21.059 1.00 62.01 O ATOM 1424 CB ARG B 140 -0.966 10.807 -19.923 1.00 40.52 C ATOM 1425 CG ARG B 140 -0.355 10.769 -18.499 1.00 42.44 C ATOM 1426 CD ARG B 140 0.265 9.402 -18.142 1.00 43.24 C ATOM 1427 NE ARG B 140 1.013 9.459 -16.880 1.00 1.13 N ATOM 1428 CZ ARG B 140 2.042 8.657 -16.546 1.00 44.12 C ATOM 1429 NH1 ARG B 140 2.475 7.702 -17.362 1.00 12.21 N ATOM 1430 NH2 ARG B 140 2.634 8.829 -15.375 1.00 65.05 N ATOM 0 H ARG B 140 -2.898 12.532 -21.870 1.00 53.12 H new ATOM 0 HA ARG B 140 -2.240 12.536 -19.771 1.00 54.13 H new ATOM 0 HB2 ARG B 140 -1.829 10.142 -19.951 1.00 40.52 H new ATOM 0 HB3 ARG B 140 -0.235 10.410 -20.627 1.00 40.52 H new ATOM 0 HG2 ARG B 140 0.411 11.541 -18.418 1.00 42.44 H new ATOM 0 HG3 ARG B 140 -1.130 11.011 -17.771 1.00 42.44 H new ATOM 0 HD2 ARG B 140 -0.524 8.654 -18.064 1.00 43.24 H new ATOM 0 HD3 ARG B 140 0.929 9.083 -18.945 1.00 43.24 H new ATOM 0 HE ARG B 140 0.730 10.164 -16.200 1.00 1.13 H new ATOM 0 HH11 ARG B 140 2.026 7.562 -18.267 1.00 12.21 H new ATOM 0 HH12 ARG B 140 3.257 7.109 -17.083 1.00 12.21 H new ATOM 0 HH21 ARG B 140 2.309 9.560 -14.742 1.00 65.05 H new ATOM 0 HH22 ARG B 140 3.415 8.231 -15.106 1.00 65.05 H new ATOM 1444 N GLN B 141 -0.341 14.090 -19.201 1.00 24.40 N ATOM 1445 CA GLN B 141 0.718 15.065 -18.827 1.00 62.30 C ATOM 1446 C GLN B 141 2.097 14.366 -18.694 1.00 21.12 C ATOM 1447 O GLN B 141 2.184 13.223 -18.225 1.00 21.31 O ATOM 1448 CB GLN B 141 0.352 15.802 -17.494 1.00 63.42 C ATOM 1449 CG GLN B 141 0.339 14.910 -16.232 1.00 50.24 C ATOM 1450 CD GLN B 141 -0.790 13.861 -16.195 1.00 4.50 C ATOM 1451 OE1 GLN B 141 -1.904 14.092 -16.668 1.00 15.55 O ATOM 1452 NE2 GLN B 141 -0.497 12.674 -15.696 1.00 72.14 N ATOM 0 H GLN B 141 -1.149 14.114 -18.579 1.00 24.40 H new ATOM 0 HA GLN B 141 0.784 15.805 -19.625 1.00 62.30 H new ATOM 0 HB2 GLN B 141 1.063 16.613 -17.339 1.00 63.42 H new ATOM 0 HB3 GLN B 141 -0.632 16.258 -17.608 1.00 63.42 H new ATOM 0 HG2 GLN B 141 1.297 14.395 -16.158 1.00 50.24 H new ATOM 0 HG3 GLN B 141 0.252 15.549 -15.353 1.00 50.24 H new ATOM 0 HE21 GLN B 141 0.430 12.499 -15.308 1.00 72.14 H new ATOM 0 HE22 GLN B 141 -1.198 11.933 -15.699 1.00 72.14 H new ATOM 1461 N GLU B 142 3.168 15.069 -19.086 1.00 34.22 N ATOM 1462 CA GLU B 142 4.517 14.470 -19.274 1.00 74.44 C ATOM 1463 C GLU B 142 5.464 14.884 -18.132 1.00 11.15 C ATOM 1464 O GLU B 142 6.661 15.125 -18.340 1.00 52.03 O ATOM 1465 CB GLU B 142 5.096 14.828 -20.688 1.00 53.13 C ATOM 1466 CG GLU B 142 5.423 16.318 -20.978 1.00 63.32 C ATOM 1467 CD GLU B 142 4.194 17.233 -21.065 1.00 71.23 C ATOM 1468 OE1 GLU B 142 3.542 17.255 -22.124 1.00 21.11 O ATOM 1469 OE2 GLU B 142 3.861 17.907 -20.067 1.00 54.53 O ATOM 0 H GLU B 142 3.135 16.069 -19.284 1.00 34.22 H new ATOM 0 HA GLU B 142 4.424 13.385 -19.234 1.00 74.44 H new ATOM 0 HB2 GLU B 142 6.009 14.250 -20.833 1.00 53.13 H new ATOM 0 HB3 GLU B 142 4.382 14.489 -21.438 1.00 53.13 H new ATOM 0 HG2 GLU B 142 6.084 16.691 -20.195 1.00 63.32 H new ATOM 0 HG3 GLU B 142 5.974 16.380 -21.916 1.00 63.32 H new ATOM 1476 N ARG B 143 4.908 14.900 -16.906 1.00 30.44 N ATOM 1477 CA ARG B 143 5.646 15.256 -15.680 1.00 45.11 C ATOM 1478 C ARG B 143 6.744 14.215 -15.392 1.00 20.30 C ATOM 1479 O ARG B 143 7.921 14.561 -15.239 1.00 20.41 O ATOM 1480 CB ARG B 143 4.669 15.359 -14.478 1.00 23.43 C ATOM 1481 CG ARG B 143 3.613 16.484 -14.587 1.00 72.30 C ATOM 1482 CD ARG B 143 2.613 16.469 -13.411 1.00 63.32 C ATOM 1483 NE ARG B 143 3.296 16.451 -12.102 1.00 42.25 N ATOM 1484 CZ ARG B 143 2.807 15.898 -10.974 1.00 44.33 C ATOM 1485 NH1 ARG B 143 1.610 15.303 -10.956 1.00 2.25 N ATOM 1486 NH2 ARG B 143 3.542 15.921 -9.868 1.00 33.43 N ATOM 0 H ARG B 143 3.930 14.665 -16.738 1.00 30.44 H new ATOM 0 HA ARG B 143 6.121 16.226 -15.828 1.00 45.11 H new ATOM 0 HB2 ARG B 143 4.152 14.406 -14.367 1.00 23.43 H new ATOM 0 HB3 ARG B 143 5.250 15.514 -13.569 1.00 23.43 H new ATOM 0 HG2 ARG B 143 4.117 17.450 -14.619 1.00 72.30 H new ATOM 0 HG3 ARG B 143 3.068 16.377 -15.525 1.00 72.30 H new ATOM 0 HD2 ARG B 143 1.969 17.347 -13.472 1.00 63.32 H new ATOM 0 HD3 ARG B 143 1.968 15.594 -13.495 1.00 63.32 H new ATOM 0 HE ARG B 143 4.213 16.893 -12.047 1.00 42.25 H new ATOM 0 HH11 ARG B 143 1.048 15.261 -11.806 1.00 2.25 H new ATOM 0 HH12 ARG B 143 1.258 14.891 -10.092 1.00 2.25 H new ATOM 0 HH21 ARG B 143 4.466 16.354 -9.878 1.00 33.43 H new ATOM 0 HH22 ARG B 143 3.183 15.506 -9.008 1.00 33.43 H new ATOM 1500 N PHE B 144 6.330 12.941 -15.311 1.00 74.52 N ATOM 1501 CA PHE B 144 7.248 11.805 -15.134 1.00 2.21 C ATOM 1502 C PHE B 144 7.759 11.354 -16.530 1.00 73.24 C ATOM 1503 O PHE B 144 8.959 11.534 -16.836 1.00 72.35 O ATOM 1504 CB PHE B 144 6.526 10.647 -14.378 1.00 32.23 C ATOM 1505 CG PHE B 144 7.416 9.435 -14.066 1.00 64.41 C ATOM 1506 CD1 PHE B 144 7.352 8.264 -14.830 1.00 64.32 C ATOM 1507 CD2 PHE B 144 8.329 9.471 -13.008 1.00 22.11 C ATOM 1508 CE1 PHE B 144 8.161 7.178 -14.544 1.00 5.54 C ATOM 1509 CE2 PHE B 144 9.137 8.383 -12.724 1.00 2.33 C ATOM 1510 CZ PHE B 144 9.053 7.238 -13.492 1.00 74.42 C ATOM 0 H PHE B 144 5.348 12.669 -15.366 1.00 74.52 H new ATOM 0 HA PHE B 144 8.106 12.100 -14.529 1.00 2.21 H new ATOM 0 HB2 PHE B 144 6.124 11.036 -13.443 1.00 32.23 H new ATOM 0 HB3 PHE B 144 5.677 10.314 -14.976 1.00 32.23 H new ATOM 0 HD1 PHE B 144 6.660 8.207 -15.657 1.00 64.32 H new ATOM 0 HD2 PHE B 144 8.405 10.362 -12.402 1.00 22.11 H new ATOM 0 HE1 PHE B 144 8.094 6.283 -15.144 1.00 5.54 H new ATOM 0 HE2 PHE B 144 9.834 8.430 -11.900 1.00 2.33 H new ATOM 0 HZ PHE B 144 9.684 6.391 -13.270 1.00 74.42 H new TER 1520 PHE B 144