USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1051 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 83 GLN : amide:sc= -0.635 X(o=-0.87,f=-0.7) USER MOD Set 1.2: A 85 GLN : amide:sc= -0.239 K(o=-0.87,f=-0.33) USER MOD Set 2.1: A 72 SER OG : rot 174:sc= 0.0755 USER MOD Set 2.2: A 102 TYR OH : rot 180:sc= 0.0746 USER MOD Set 3.1: A 33 ASN : amide:sc= 0.678 K(o=1,f=0.3) USER MOD Set 3.2: A 59 ASN : amide:sc= 0.325 K(o=1,f=0.3) USER MOD Set 4.1: A 8 ASN : amide:sc= 0.567 K(o=1.4,f=-3.4) USER MOD Set 4.2: A 61 LYS NZ :NH3+ 171:sc= 0.882 (180deg=0.199) USER MOD Set 5.1: A 2 LYS NZ :NH3+ 144:sc= 1.06 (180deg=-0.496) USER MOD Set 5.2: A 76 TYR OH : rot -169:sc= 1.12 USER MOD Single : A 9 THR OG1 : rot 110:sc= 0.00426 USER MOD Single : A 10 ASN : amide:sc= -0.0263 X(o=-0.026,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.527 K(o=-0.53,f=-4.2!) USER MOD Single : A 16 LYS NZ :NH3+ -135:sc= -0.84 (180deg=-3.19!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.001) USER MOD Single : A 25 GLN : amide:sc= -0.32 K(o=-0.32,f=-3.5!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.612 X(o=-0.61,f=-0.2) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -127:sc= -0.0194 (180deg=-1.41) USER MOD Single : A 43 LYS NZ :NH3+ 135:sc= 0.0308 (180deg=-0.129) USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= -0.0106 (180deg=-0.0995) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= 0.358 (180deg=-0.0082) USER MOD Single : A 58 SER OG : rot -114:sc= 0.0712 USER MOD Single : A 62 GLN : amide:sc= -0.056 X(o=-0.056,f=-0.33) USER MOD Single : A 65 LYS NZ :NH3+ 152:sc= 0.702 (180deg=0.0974) USER MOD Single : A 67 MET CE :methyl 136:sc= -0.296 (180deg=-3.06) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0297) USER MOD Single : A 88 ASN : amide:sc= -0.757 K(o=-0.76,f=-0.0032) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0427) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.095) USER MOD Single : A 106 LYS NZ :NH3+ 141:sc= 0.763 (180deg=-0.49) USER MOD Single : A 108 THR OG1 : rot -64:sc= 0.909 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl 173:sc= 0 (180deg=-0.0807) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -11.952 7.383 3.865 1.00 65.31 N ATOM 21 CA LYS A 2 -11.575 6.112 3.233 1.00 22.20 C ATOM 22 C LYS A 2 -10.045 6.090 3.168 1.00 12.41 C ATOM 23 O LYS A 2 -9.432 7.009 2.630 1.00 73.35 O ATOM 24 CB LYS A 2 -12.188 5.962 1.818 1.00 3.11 C ATOM 25 CG LYS A 2 -11.788 4.639 1.108 1.00 42.04 C ATOM 26 CD LYS A 2 -12.406 4.449 -0.295 1.00 14.14 C ATOM 27 CE LYS A 2 -13.953 4.479 -0.299 1.00 22.23 C ATOM 28 NZ LYS A 2 -14.503 5.852 -0.484 1.00 51.12 N ATOM 0 HA LYS A 2 -11.960 5.275 3.816 1.00 22.20 H new ATOM 0 HB2 LYS A 2 -13.274 6.011 1.894 1.00 3.11 H new ATOM 0 HB3 LYS A 2 -11.873 6.805 1.203 1.00 3.11 H new ATOM 0 HG2 LYS A 2 -10.702 4.603 1.020 1.00 42.04 H new ATOM 0 HG3 LYS A 2 -12.085 3.800 1.738 1.00 42.04 H new ATOM 0 HD2 LYS A 2 -12.034 5.232 -0.956 1.00 14.14 H new ATOM 0 HD3 LYS A 2 -12.068 3.498 -0.706 1.00 14.14 H new ATOM 0 HE2 LYS A 2 -14.322 3.834 -1.096 1.00 22.23 H new ATOM 0 HE3 LYS A 2 -14.322 4.068 0.641 1.00 22.23 H new ATOM 0 HZ1 LYS A 2 -15.368 5.805 -1.059 1.00 51.12 H new ATOM 0 HZ2 LYS A 2 -14.726 6.265 0.444 1.00 51.12 H new ATOM 0 HZ3 LYS A 2 -13.799 6.446 -0.966 1.00 51.12 H new ATOM 42 N GLU A 3 -9.440 5.075 3.778 1.00 44.24 N ATOM 43 CA GLU A 3 -7.985 4.925 3.829 1.00 60.43 C ATOM 44 C GLU A 3 -7.521 3.918 2.759 1.00 25.40 C ATOM 45 O GLU A 3 -8.158 2.886 2.548 1.00 30.22 O ATOM 46 CB GLU A 3 -7.539 4.455 5.240 1.00 22.24 C ATOM 47 CG GLU A 3 -8.079 5.285 6.435 1.00 61.01 C ATOM 48 CD GLU A 3 -9.420 4.789 7.000 1.00 25.23 C ATOM 49 OE1 GLU A 3 -10.492 5.174 6.484 1.00 15.15 O ATOM 50 OE2 GLU A 3 -9.411 3.992 7.960 1.00 55.55 O ATOM 0 H GLU A 3 -9.946 4.328 4.254 1.00 44.24 H new ATOM 0 HA GLU A 3 -7.525 5.892 3.626 1.00 60.43 H new ATOM 0 HB2 GLU A 3 -7.851 3.419 5.372 1.00 22.24 H new ATOM 0 HB3 GLU A 3 -6.450 4.467 5.278 1.00 22.24 H new ATOM 0 HG2 GLU A 3 -7.337 5.275 7.233 1.00 61.01 H new ATOM 0 HG3 GLU A 3 -8.193 6.322 6.119 1.00 61.01 H new ATOM 57 N LEU A 4 -6.430 4.242 2.068 1.00 64.43 N ATOM 58 CA LEU A 4 -5.792 3.328 1.112 1.00 3.30 C ATOM 59 C LEU A 4 -4.378 3.046 1.624 1.00 14.54 C ATOM 60 O LEU A 4 -3.547 3.957 1.695 1.00 64.41 O ATOM 61 CB LEU A 4 -5.766 3.925 -0.333 1.00 0.13 C ATOM 62 CG LEU A 4 -7.124 3.955 -1.128 1.00 64.03 C ATOM 63 CD1 LEU A 4 -7.749 2.551 -1.226 1.00 52.14 C ATOM 64 CD2 LEU A 4 -8.130 4.973 -0.551 1.00 21.12 C ATOM 0 H LEU A 4 -5.961 5.144 2.152 1.00 64.43 H new ATOM 0 HA LEU A 4 -6.364 2.402 1.043 1.00 3.30 H new ATOM 0 HB2 LEU A 4 -5.390 4.946 -0.269 1.00 0.13 H new ATOM 0 HB3 LEU A 4 -5.045 3.356 -0.920 1.00 0.13 H new ATOM 0 HG LEU A 4 -6.883 4.290 -2.137 1.00 64.03 H new ATOM 0 HD11 LEU A 4 -8.685 2.608 -1.781 1.00 52.14 H new ATOM 0 HD12 LEU A 4 -7.061 1.882 -1.742 1.00 52.14 H new ATOM 0 HD13 LEU A 4 -7.944 2.169 -0.224 1.00 52.14 H new ATOM 0 HD21 LEU A 4 -9.048 4.950 -1.138 1.00 21.12 H new ATOM 0 HD22 LEU A 4 -8.355 4.715 0.484 1.00 21.12 H new ATOM 0 HD23 LEU A 4 -7.699 5.973 -0.590 1.00 21.12 H new ATOM 76 N ILE A 5 -4.140 1.788 2.023 1.00 13.32 N ATOM 77 CA ILE A 5 -2.826 1.314 2.484 1.00 74.31 C ATOM 78 C ILE A 5 -2.175 0.492 1.359 1.00 22.14 C ATOM 79 O ILE A 5 -2.721 -0.516 0.912 1.00 13.21 O ATOM 80 CB ILE A 5 -2.934 0.464 3.805 1.00 22.13 C ATOM 81 CG1 ILE A 5 -1.545 -0.140 4.212 1.00 22.02 C ATOM 82 CG2 ILE A 5 -4.036 -0.612 3.712 1.00 32.10 C ATOM 83 CD1 ILE A 5 -1.550 -1.003 5.468 1.00 55.14 C ATOM 0 H ILE A 5 -4.859 1.065 2.035 1.00 13.32 H new ATOM 0 HA ILE A 5 -2.207 2.179 2.721 1.00 74.31 H new ATOM 0 HB ILE A 5 -3.234 1.142 4.604 1.00 22.13 H new ATOM 0 HG12 ILE A 5 -1.171 -0.739 3.382 1.00 22.02 H new ATOM 0 HG13 ILE A 5 -0.840 0.679 4.357 1.00 22.02 H new ATOM 0 HG21 ILE A 5 -4.075 -1.174 4.645 1.00 32.10 H new ATOM 0 HG22 ILE A 5 -4.999 -0.132 3.537 1.00 32.10 H new ATOM 0 HG23 ILE A 5 -3.813 -1.291 2.888 1.00 32.10 H new ATOM 0 HD11 ILE A 5 -0.542 -1.371 5.661 1.00 55.14 H new ATOM 0 HD12 ILE A 5 -1.888 -0.408 6.317 1.00 55.14 H new ATOM 0 HD13 ILE A 5 -2.224 -1.848 5.326 1.00 55.14 H new ATOM 95 N LEU A 6 -1.020 0.959 0.882 1.00 22.22 N ATOM 96 CA LEU A 6 -0.306 0.344 -0.243 1.00 72.32 C ATOM 97 C LEU A 6 0.862 -0.478 0.308 1.00 32.01 C ATOM 98 O LEU A 6 1.739 0.066 0.968 1.00 1.21 O ATOM 99 CB LEU A 6 0.216 1.418 -1.235 1.00 35.23 C ATOM 100 CG LEU A 6 -0.848 2.358 -1.901 1.00 13.00 C ATOM 101 CD1 LEU A 6 -1.439 3.381 -0.906 1.00 34.24 C ATOM 102 CD2 LEU A 6 -0.249 3.070 -3.120 1.00 2.34 C ATOM 0 H LEU A 6 -0.550 1.779 1.266 1.00 22.22 H new ATOM 0 HA LEU A 6 -0.994 -0.300 -0.790 1.00 72.32 H new ATOM 0 HB2 LEU A 6 0.936 2.044 -0.707 1.00 35.23 H new ATOM 0 HB3 LEU A 6 0.760 0.907 -2.030 1.00 35.23 H new ATOM 0 HG LEU A 6 -1.672 1.725 -2.230 1.00 13.00 H new ATOM 0 HD11 LEU A 6 -2.170 4.007 -1.418 1.00 34.24 H new ATOM 0 HD12 LEU A 6 -1.925 2.852 -0.086 1.00 34.24 H new ATOM 0 HD13 LEU A 6 -0.639 4.007 -0.510 1.00 34.24 H new ATOM 0 HD21 LEU A 6 -1.002 3.718 -3.569 1.00 2.34 H new ATOM 0 HD22 LEU A 6 0.606 3.670 -2.807 1.00 2.34 H new ATOM 0 HD23 LEU A 6 0.075 2.329 -3.851 1.00 2.34 H new ATOM 114 N ILE A 7 0.844 -1.789 0.052 1.00 61.42 N ATOM 115 CA ILE A 7 1.918 -2.705 0.442 1.00 72.00 C ATOM 116 C ILE A 7 2.784 -2.964 -0.791 1.00 20.40 C ATOM 117 O ILE A 7 2.282 -3.420 -1.812 1.00 23.02 O ATOM 118 CB ILE A 7 1.388 -4.084 1.018 1.00 54.51 C ATOM 119 CG1 ILE A 7 0.724 -3.918 2.429 1.00 44.04 C ATOM 120 CG2 ILE A 7 2.523 -5.133 1.076 1.00 13.23 C ATOM 121 CD1 ILE A 7 -0.584 -3.156 2.441 1.00 14.11 C ATOM 0 H ILE A 7 0.075 -2.248 -0.437 1.00 61.42 H new ATOM 0 HA ILE A 7 2.486 -2.236 1.246 1.00 72.00 H new ATOM 0 HB ILE A 7 0.618 -4.439 0.333 1.00 54.51 H new ATOM 0 HG12 ILE A 7 0.553 -4.908 2.851 1.00 44.04 H new ATOM 0 HG13 ILE A 7 1.429 -3.409 3.087 1.00 44.04 H new ATOM 0 HG21 ILE A 7 2.133 -6.069 1.475 1.00 13.23 H new ATOM 0 HG22 ILE A 7 2.915 -5.301 0.073 1.00 13.23 H new ATOM 0 HG23 ILE A 7 3.322 -4.769 1.721 1.00 13.23 H new ATOM 0 HD11 ILE A 7 -0.961 -3.096 3.462 1.00 14.11 H new ATOM 0 HD12 ILE A 7 -0.422 -2.150 2.054 1.00 14.11 H new ATOM 0 HD13 ILE A 7 -1.312 -3.673 1.815 1.00 14.11 H new ATOM 133 N ASN A 8 4.075 -2.649 -0.692 1.00 63.13 N ATOM 134 CA ASN A 8 5.048 -2.973 -1.735 1.00 43.24 C ATOM 135 C ASN A 8 5.996 -4.039 -1.222 1.00 33.32 C ATOM 136 O ASN A 8 6.749 -3.790 -0.288 1.00 61.42 O ATOM 137 CB ASN A 8 5.855 -1.736 -2.151 1.00 20.52 C ATOM 138 CG ASN A 8 6.931 -2.013 -3.221 1.00 61.43 C ATOM 139 OD1 ASN A 8 8.007 -1.416 -3.199 1.00 73.24 O ATOM 140 ND2 ASN A 8 6.644 -2.888 -4.180 1.00 44.44 N ATOM 0 H ASN A 8 4.475 -2.163 0.111 1.00 63.13 H new ATOM 0 HA ASN A 8 4.505 -3.336 -2.607 1.00 43.24 H new ATOM 0 HB2 ASN A 8 5.169 -0.979 -2.530 1.00 20.52 H new ATOM 0 HB3 ASN A 8 6.337 -1.316 -1.268 1.00 20.52 H new ATOM 0 HD21 ASN A 8 7.322 -3.076 -4.918 1.00 44.44 H new ATOM 0 HD22 ASN A 8 5.746 -3.371 -4.178 1.00 44.44 H new ATOM 147 N THR A 9 5.907 -5.233 -1.799 1.00 55.40 N ATOM 148 CA THR A 9 6.926 -6.264 -1.643 1.00 21.44 C ATOM 149 C THR A 9 7.012 -7.086 -2.936 1.00 41.04 C ATOM 150 O THR A 9 5.989 -7.403 -3.550 1.00 61.14 O ATOM 151 CB THR A 9 6.682 -7.164 -0.380 1.00 25.44 C ATOM 152 OG1 THR A 9 7.728 -8.138 -0.250 1.00 4.12 O ATOM 153 CG2 THR A 9 5.313 -7.857 -0.384 1.00 53.30 C ATOM 0 H THR A 9 5.124 -5.513 -2.389 1.00 55.40 H new ATOM 0 HA THR A 9 7.887 -5.780 -1.468 1.00 21.44 H new ATOM 0 HB THR A 9 6.692 -6.495 0.481 1.00 25.44 H new ATOM 0 HG1 THR A 9 8.287 -7.916 0.524 1.00 4.12 H new ATOM 0 HG21 THR A 9 5.209 -8.463 0.516 1.00 53.30 H new ATOM 0 HG22 THR A 9 4.524 -7.105 -0.408 1.00 53.30 H new ATOM 0 HG23 THR A 9 5.231 -8.496 -1.263 1.00 53.30 H new ATOM 161 N ASN A 10 8.247 -7.349 -3.380 1.00 23.14 N ATOM 162 CA ASN A 10 8.526 -8.235 -4.524 1.00 73.31 C ATOM 163 C ASN A 10 8.374 -9.708 -4.093 1.00 74.40 C ATOM 164 O ASN A 10 8.133 -10.586 -4.931 1.00 63.13 O ATOM 165 CB ASN A 10 9.957 -7.972 -5.064 1.00 61.43 C ATOM 166 CG ASN A 10 10.302 -8.798 -6.314 1.00 53.24 C ATOM 167 OD1 ASN A 10 10.090 -8.366 -7.446 1.00 20.44 O ATOM 168 ND2 ASN A 10 10.830 -10.002 -6.115 1.00 41.41 N ATOM 0 H ASN A 10 9.086 -6.953 -2.956 1.00 23.14 H new ATOM 0 HA ASN A 10 7.812 -8.027 -5.321 1.00 73.31 H new ATOM 0 HB2 ASN A 10 10.059 -6.912 -5.299 1.00 61.43 H new ATOM 0 HB3 ASN A 10 10.680 -8.196 -4.279 1.00 61.43 H new ATOM 0 HD21 ASN A 10 11.070 -10.592 -6.912 1.00 41.41 H new ATOM 0 HD22 ASN A 10 10.995 -10.336 -5.165 1.00 41.41 H new ATOM 175 N ASN A 11 8.514 -9.951 -2.772 1.00 31.01 N ATOM 176 CA ASN A 11 8.432 -11.291 -2.173 1.00 33.34 C ATOM 177 C ASN A 11 6.975 -11.792 -2.285 1.00 33.05 C ATOM 178 O ASN A 11 6.136 -11.455 -1.453 1.00 42.32 O ATOM 179 CB ASN A 11 8.917 -11.239 -0.685 1.00 73.22 C ATOM 180 CG ASN A 11 9.164 -12.618 -0.042 1.00 4.30 C ATOM 181 OD1 ASN A 11 8.582 -13.631 -0.425 1.00 25.04 O ATOM 182 ND2 ASN A 11 10.014 -12.657 0.970 1.00 35.41 N ATOM 0 H ASN A 11 8.688 -9.213 -2.090 1.00 31.01 H new ATOM 0 HA ASN A 11 9.082 -11.989 -2.702 1.00 33.34 H new ATOM 0 HB2 ASN A 11 9.839 -10.660 -0.637 1.00 73.22 H new ATOM 0 HB3 ASN A 11 8.174 -10.704 -0.093 1.00 73.22 H new ATOM 0 HD21 ASN A 11 10.197 -13.539 1.448 1.00 35.41 H new ATOM 0 HD22 ASN A 11 10.487 -11.805 1.272 1.00 35.41 H new ATOM 189 N ASP A 12 6.688 -12.539 -3.372 1.00 23.53 N ATOM 190 CA ASP A 12 5.341 -13.079 -3.684 1.00 22.41 C ATOM 191 C ASP A 12 4.830 -14.039 -2.599 1.00 62.52 C ATOM 192 O ASP A 12 3.621 -14.131 -2.363 1.00 31.42 O ATOM 193 CB ASP A 12 5.345 -13.798 -5.059 1.00 71.41 C ATOM 194 CG ASP A 12 5.712 -12.858 -6.220 1.00 2.13 C ATOM 195 OD1 ASP A 12 4.816 -12.147 -6.726 1.00 40.23 O ATOM 196 OD2 ASP A 12 6.892 -12.826 -6.628 1.00 10.05 O ATOM 0 H ASP A 12 7.391 -12.789 -4.068 1.00 23.53 H new ATOM 0 HA ASP A 12 4.662 -12.227 -3.720 1.00 22.41 H new ATOM 0 HB2 ASP A 12 6.054 -14.626 -5.029 1.00 71.41 H new ATOM 0 HB3 ASP A 12 4.360 -14.228 -5.242 1.00 71.41 H new ATOM 201 N GLU A 13 5.777 -14.739 -1.949 1.00 51.14 N ATOM 202 CA GLU A 13 5.501 -15.655 -0.829 1.00 4.34 C ATOM 203 C GLU A 13 4.901 -14.866 0.343 1.00 72.13 C ATOM 204 O GLU A 13 3.930 -15.300 0.966 1.00 52.14 O ATOM 205 CB GLU A 13 6.807 -16.361 -0.387 1.00 65.53 C ATOM 206 CG GLU A 13 7.544 -17.100 -1.521 1.00 54.05 C ATOM 207 CD GLU A 13 8.914 -17.629 -1.087 1.00 15.15 C ATOM 208 OE1 GLU A 13 9.837 -16.810 -0.910 1.00 72.45 O ATOM 209 OE2 GLU A 13 9.070 -18.854 -0.892 1.00 13.45 O ATOM 0 H GLU A 13 6.767 -14.683 -2.190 1.00 51.14 H new ATOM 0 HA GLU A 13 4.788 -16.414 -1.151 1.00 4.34 H new ATOM 0 HB2 GLU A 13 7.479 -15.619 0.044 1.00 65.53 H new ATOM 0 HB3 GLU A 13 6.571 -17.075 0.403 1.00 65.53 H new ATOM 0 HG2 GLU A 13 6.930 -17.932 -1.866 1.00 54.05 H new ATOM 0 HG3 GLU A 13 7.671 -16.425 -2.367 1.00 54.05 H new ATOM 216 N LEU A 14 5.493 -13.674 0.594 1.00 11.20 N ATOM 217 CA LEU A 14 5.020 -12.740 1.617 1.00 35.34 C ATOM 218 C LEU A 14 3.673 -12.117 1.208 1.00 24.32 C ATOM 219 O LEU A 14 2.796 -11.995 2.056 1.00 65.34 O ATOM 220 CB LEU A 14 6.057 -11.619 1.876 1.00 1.30 C ATOM 221 CG LEU A 14 5.616 -10.518 2.896 1.00 43.53 C ATOM 222 CD1 LEU A 14 5.364 -11.096 4.305 1.00 3.31 C ATOM 223 CD2 LEU A 14 6.607 -9.347 2.920 1.00 43.01 C ATOM 0 H LEU A 14 6.313 -13.342 0.086 1.00 11.20 H new ATOM 0 HA LEU A 14 4.884 -13.307 2.538 1.00 35.34 H new ATOM 0 HB2 LEU A 14 6.978 -12.076 2.237 1.00 1.30 H new ATOM 0 HB3 LEU A 14 6.291 -11.138 0.926 1.00 1.30 H new ATOM 0 HG LEU A 14 4.660 -10.124 2.550 1.00 43.53 H new ATOM 0 HD11 LEU A 14 5.060 -10.294 4.978 1.00 3.31 H new ATOM 0 HD12 LEU A 14 4.575 -11.846 4.255 1.00 3.31 H new ATOM 0 HD13 LEU A 14 6.279 -11.556 4.678 1.00 3.31 H new ATOM 0 HD21 LEU A 14 6.270 -8.600 3.639 1.00 43.01 H new ATOM 0 HD22 LEU A 14 7.593 -9.711 3.209 1.00 43.01 H new ATOM 0 HD23 LEU A 14 6.663 -8.897 1.929 1.00 43.01 H new ATOM 235 N ILE A 15 3.524 -11.737 -0.097 1.00 75.25 N ATOM 236 CA ILE A 15 2.274 -11.135 -0.632 1.00 31.33 C ATOM 237 C ILE A 15 1.069 -12.036 -0.301 1.00 3.42 C ATOM 238 O ILE A 15 0.035 -11.541 0.133 1.00 11.40 O ATOM 239 CB ILE A 15 2.331 -10.880 -2.199 1.00 63.12 C ATOM 240 CG1 ILE A 15 3.492 -9.909 -2.571 1.00 10.52 C ATOM 241 CG2 ILE A 15 0.983 -10.330 -2.735 1.00 64.11 C ATOM 242 CD1 ILE A 15 3.656 -9.618 -4.059 1.00 62.03 C ATOM 0 H ILE A 15 4.260 -11.840 -0.795 1.00 75.25 H new ATOM 0 HA ILE A 15 2.164 -10.164 -0.150 1.00 31.33 H new ATOM 0 HB ILE A 15 2.519 -11.843 -2.673 1.00 63.12 H new ATOM 0 HG12 ILE A 15 3.333 -8.965 -2.050 1.00 10.52 H new ATOM 0 HG13 ILE A 15 4.426 -10.327 -2.196 1.00 10.52 H new ATOM 0 HG21 ILE A 15 1.058 -10.167 -3.810 1.00 64.11 H new ATOM 0 HG22 ILE A 15 0.190 -11.049 -2.531 1.00 64.11 H new ATOM 0 HG23 ILE A 15 0.753 -9.386 -2.240 1.00 64.11 H new ATOM 0 HD11 ILE A 15 4.491 -8.933 -4.206 1.00 62.03 H new ATOM 0 HD12 ILE A 15 3.852 -10.548 -4.592 1.00 62.03 H new ATOM 0 HD13 ILE A 15 2.742 -9.165 -4.444 1.00 62.03 H new ATOM 254 N LYS A 16 1.268 -13.360 -0.458 1.00 14.23 N ATOM 255 CA LYS A 16 0.256 -14.390 -0.150 1.00 13.21 C ATOM 256 C LYS A 16 -0.130 -14.379 1.345 1.00 24.13 C ATOM 257 O LYS A 16 -1.310 -14.489 1.678 1.00 75.42 O ATOM 258 CB LYS A 16 0.782 -15.789 -0.544 1.00 31.12 C ATOM 259 CG LYS A 16 1.004 -15.996 -2.056 1.00 44.40 C ATOM 260 CD LYS A 16 1.620 -17.369 -2.425 1.00 35.25 C ATOM 261 CE LYS A 16 0.689 -18.573 -2.147 1.00 21.20 C ATOM 262 NZ LYS A 16 0.521 -18.879 -0.695 1.00 55.54 N ATOM 0 H LYS A 16 2.145 -13.748 -0.806 1.00 14.23 H new ATOM 0 HA LYS A 16 -0.637 -14.159 -0.731 1.00 13.21 H new ATOM 0 HB2 LYS A 16 1.724 -15.966 -0.025 1.00 31.12 H new ATOM 0 HB3 LYS A 16 0.076 -16.540 -0.189 1.00 31.12 H new ATOM 0 HG2 LYS A 16 0.049 -15.889 -2.570 1.00 44.40 H new ATOM 0 HG3 LYS A 16 1.656 -15.206 -2.428 1.00 44.40 H new ATOM 0 HD2 LYS A 16 1.885 -17.364 -3.482 1.00 35.25 H new ATOM 0 HD3 LYS A 16 2.546 -17.502 -1.865 1.00 35.25 H new ATOM 0 HE2 LYS A 16 -0.290 -18.372 -2.583 1.00 21.20 H new ATOM 0 HE3 LYS A 16 1.088 -19.453 -2.651 1.00 21.20 H new ATOM 0 HZ1 LYS A 16 0.606 -19.905 -0.544 1.00 55.54 H new ATOM 0 HZ2 LYS A 16 1.257 -18.387 -0.149 1.00 55.54 H new ATOM 0 HZ3 LYS A 16 -0.417 -18.559 -0.379 1.00 55.54 H new ATOM 276 N LYS A 17 0.881 -14.245 2.228 1.00 2.23 N ATOM 277 CA LYS A 17 0.669 -14.197 3.692 1.00 2.03 C ATOM 278 C LYS A 17 -0.139 -12.945 4.076 1.00 62.34 C ATOM 279 O LYS A 17 -1.082 -13.027 4.863 1.00 42.11 O ATOM 280 CB LYS A 17 2.028 -14.210 4.437 1.00 42.21 C ATOM 281 CG LYS A 17 2.925 -15.418 4.089 1.00 15.24 C ATOM 282 CD LYS A 17 4.260 -15.422 4.873 1.00 34.24 C ATOM 283 CE LYS A 17 4.061 -15.642 6.385 1.00 61.14 C ATOM 284 NZ LYS A 17 5.352 -15.671 7.122 1.00 51.30 N ATOM 0 H LYS A 17 1.860 -14.168 1.951 1.00 2.23 H new ATOM 0 HA LYS A 17 0.103 -15.080 3.988 1.00 2.03 H new ATOM 0 HB2 LYS A 17 2.567 -13.292 4.204 1.00 42.21 H new ATOM 0 HB3 LYS A 17 1.842 -14.207 5.511 1.00 42.21 H new ATOM 0 HG2 LYS A 17 2.383 -16.340 4.300 1.00 15.24 H new ATOM 0 HG3 LYS A 17 3.137 -15.411 3.020 1.00 15.24 H new ATOM 0 HD2 LYS A 17 4.906 -16.206 4.478 1.00 34.24 H new ATOM 0 HD3 LYS A 17 4.774 -14.474 4.712 1.00 34.24 H new ATOM 0 HE2 LYS A 17 3.433 -14.847 6.787 1.00 61.14 H new ATOM 0 HE3 LYS A 17 3.530 -16.580 6.547 1.00 61.14 H new ATOM 0 HZ1 LYS A 17 5.170 -15.821 8.135 1.00 51.30 H new ATOM 0 HZ2 LYS A 17 5.942 -16.446 6.758 1.00 51.30 H new ATOM 0 HZ3 LYS A 17 5.848 -14.766 6.990 1.00 51.30 H new ATOM 298 N ILE A 18 0.234 -11.806 3.446 1.00 44.24 N ATOM 299 CA ILE A 18 -0.424 -10.499 3.635 1.00 60.11 C ATOM 300 C ILE A 18 -1.884 -10.591 3.190 1.00 60.15 C ATOM 301 O ILE A 18 -2.760 -10.076 3.876 1.00 33.41 O ATOM 302 CB ILE A 18 0.320 -9.351 2.839 1.00 4.40 C ATOM 303 CG1 ILE A 18 1.802 -9.250 3.313 1.00 33.32 C ATOM 304 CG2 ILE A 18 -0.405 -7.978 2.975 1.00 10.15 C ATOM 305 CD1 ILE A 18 2.679 -8.320 2.507 1.00 43.05 C ATOM 0 H ILE A 18 1.010 -11.773 2.785 1.00 44.24 H new ATOM 0 HA ILE A 18 -0.379 -10.246 4.694 1.00 60.11 H new ATOM 0 HB ILE A 18 0.302 -9.612 1.781 1.00 4.40 H new ATOM 0 HG12 ILE A 18 1.812 -8.921 4.352 1.00 33.32 H new ATOM 0 HG13 ILE A 18 2.242 -10.247 3.290 1.00 33.32 H new ATOM 0 HG21 ILE A 18 0.141 -7.221 2.413 1.00 10.15 H new ATOM 0 HG22 ILE A 18 -1.418 -8.061 2.582 1.00 10.15 H new ATOM 0 HG23 ILE A 18 -0.446 -7.691 4.026 1.00 10.15 H new ATOM 0 HD11 ILE A 18 3.688 -8.323 2.919 1.00 43.05 H new ATOM 0 HD12 ILE A 18 2.710 -8.656 1.470 1.00 43.05 H new ATOM 0 HD13 ILE A 18 2.273 -7.309 2.549 1.00 43.05 H new ATOM 317 N LYS A 19 -2.124 -11.306 2.058 1.00 55.33 N ATOM 318 CA LYS A 19 -3.477 -11.574 1.549 1.00 2.25 C ATOM 319 C LYS A 19 -4.321 -12.213 2.654 1.00 42.32 C ATOM 320 O LYS A 19 -5.309 -11.635 3.061 1.00 12.20 O ATOM 321 CB LYS A 19 -3.469 -12.485 0.282 1.00 31.32 C ATOM 322 CG LYS A 19 -2.864 -11.823 -0.971 1.00 12.21 C ATOM 323 CD LYS A 19 -2.889 -12.733 -2.218 1.00 71.22 C ATOM 324 CE LYS A 19 -2.342 -12.029 -3.469 1.00 42.34 C ATOM 325 NZ LYS A 19 -2.351 -12.920 -4.656 1.00 52.24 N ATOM 0 H LYS A 19 -1.383 -11.706 1.483 1.00 55.33 H new ATOM 0 HA LYS A 19 -3.912 -10.620 1.250 1.00 2.25 H new ATOM 0 HB2 LYS A 19 -2.909 -13.393 0.505 1.00 31.32 H new ATOM 0 HB3 LYS A 19 -4.492 -12.788 0.060 1.00 31.32 H new ATOM 0 HG2 LYS A 19 -3.412 -10.906 -1.189 1.00 12.21 H new ATOM 0 HG3 LYS A 19 -1.834 -11.537 -0.760 1.00 12.21 H new ATOM 0 HD2 LYS A 19 -2.300 -13.629 -2.022 1.00 71.22 H new ATOM 0 HD3 LYS A 19 -3.912 -13.059 -2.406 1.00 71.22 H new ATOM 0 HE2 LYS A 19 -2.940 -11.142 -3.677 1.00 42.34 H new ATOM 0 HE3 LYS A 19 -1.324 -11.689 -3.278 1.00 42.34 H new ATOM 0 HZ1 LYS A 19 -1.974 -12.407 -5.478 1.00 52.24 H new ATOM 0 HZ2 LYS A 19 -1.760 -13.755 -4.468 1.00 52.24 H new ATOM 0 HZ3 LYS A 19 -3.326 -13.224 -4.854 1.00 52.24 H new ATOM 339 N LYS A 20 -3.841 -13.344 3.210 1.00 32.11 N ATOM 340 CA LYS A 20 -4.620 -14.167 4.165 1.00 42.22 C ATOM 341 C LYS A 20 -4.791 -13.485 5.534 1.00 22.24 C ATOM 342 O LYS A 20 -5.698 -13.841 6.288 1.00 65.54 O ATOM 343 CB LYS A 20 -3.987 -15.571 4.316 1.00 62.25 C ATOM 344 CG LYS A 20 -3.733 -16.284 2.967 1.00 41.34 C ATOM 345 CD LYS A 20 -4.982 -16.338 2.046 1.00 72.33 C ATOM 346 CE LYS A 20 -4.665 -16.930 0.669 1.00 63.43 C ATOM 347 NZ LYS A 20 -5.866 -16.981 -0.203 1.00 61.50 N ATOM 0 H LYS A 20 -2.910 -13.713 3.014 1.00 32.11 H new ATOM 0 HA LYS A 20 -5.621 -14.278 3.748 1.00 42.22 H new ATOM 0 HB2 LYS A 20 -3.042 -15.479 4.852 1.00 62.25 H new ATOM 0 HB3 LYS A 20 -4.642 -16.192 4.928 1.00 62.25 H new ATOM 0 HG2 LYS A 20 -2.927 -15.772 2.442 1.00 41.34 H new ATOM 0 HG3 LYS A 20 -3.392 -17.301 3.162 1.00 41.34 H new ATOM 0 HD2 LYS A 20 -5.758 -16.934 2.525 1.00 72.33 H new ATOM 0 HD3 LYS A 20 -5.383 -15.332 1.923 1.00 72.33 H new ATOM 0 HE2 LYS A 20 -3.891 -16.332 0.187 1.00 63.43 H new ATOM 0 HE3 LYS A 20 -4.262 -17.935 0.790 1.00 63.43 H new ATOM 0 HZ1 LYS A 20 -5.609 -17.388 -1.125 1.00 61.50 H new ATOM 0 HZ2 LYS A 20 -6.595 -17.572 0.245 1.00 61.50 H new ATOM 0 HZ3 LYS A 20 -6.236 -16.019 -0.340 1.00 61.50 H new ATOM 361 N GLU A 21 -3.911 -12.518 5.852 1.00 41.23 N ATOM 362 CA GLU A 21 -4.110 -11.613 7.003 1.00 52.11 C ATOM 363 C GLU A 21 -5.367 -10.756 6.755 1.00 63.21 C ATOM 364 O GLU A 21 -6.363 -10.854 7.469 1.00 44.53 O ATOM 365 CB GLU A 21 -2.866 -10.686 7.192 1.00 31.21 C ATOM 366 CG GLU A 21 -1.561 -11.407 7.582 1.00 62.13 C ATOM 367 CD GLU A 21 -1.616 -12.039 8.981 1.00 12.34 C ATOM 368 OE1 GLU A 21 -1.418 -11.306 9.969 1.00 55.44 O ATOM 369 OE2 GLU A 21 -1.865 -13.260 9.101 1.00 21.33 O ATOM 0 H GLU A 21 -3.054 -12.342 5.328 1.00 41.23 H new ATOM 0 HA GLU A 21 -4.237 -12.206 7.908 1.00 52.11 H new ATOM 0 HB2 GLU A 21 -2.696 -10.139 6.264 1.00 31.21 H new ATOM 0 HB3 GLU A 21 -3.097 -9.947 7.960 1.00 31.21 H new ATOM 0 HG2 GLU A 21 -1.349 -12.184 6.847 1.00 62.13 H new ATOM 0 HG3 GLU A 21 -0.735 -10.697 7.543 1.00 62.13 H new ATOM 376 N VAL A 22 -5.314 -10.023 5.645 1.00 70.20 N ATOM 377 CA VAL A 22 -6.281 -8.983 5.269 1.00 33.15 C ATOM 378 C VAL A 22 -7.671 -9.582 4.933 1.00 2.15 C ATOM 379 O VAL A 22 -8.707 -8.978 5.254 1.00 70.54 O ATOM 380 CB VAL A 22 -5.675 -8.189 4.057 1.00 24.43 C ATOM 381 CG1 VAL A 22 -6.614 -7.110 3.510 1.00 35.13 C ATOM 382 CG2 VAL A 22 -4.316 -7.571 4.449 1.00 51.03 C ATOM 0 H VAL A 22 -4.572 -10.138 4.955 1.00 70.20 H new ATOM 0 HA VAL A 22 -6.450 -8.308 6.108 1.00 33.15 H new ATOM 0 HB VAL A 22 -5.532 -8.910 3.252 1.00 24.43 H new ATOM 0 HG11 VAL A 22 -6.134 -6.600 2.675 1.00 35.13 H new ATOM 0 HG12 VAL A 22 -7.540 -7.573 3.169 1.00 35.13 H new ATOM 0 HG13 VAL A 22 -6.837 -6.389 4.296 1.00 35.13 H new ATOM 0 HG21 VAL A 22 -3.907 -7.023 3.600 1.00 51.03 H new ATOM 0 HG22 VAL A 22 -4.455 -6.889 5.288 1.00 51.03 H new ATOM 0 HG23 VAL A 22 -3.625 -8.364 4.736 1.00 51.03 H new ATOM 392 N GLU A 23 -7.667 -10.798 4.345 1.00 2.45 N ATOM 393 CA GLU A 23 -8.888 -11.548 3.994 1.00 52.50 C ATOM 394 C GLU A 23 -9.647 -11.941 5.276 1.00 25.24 C ATOM 395 O GLU A 23 -10.876 -11.857 5.331 1.00 11.33 O ATOM 396 CB GLU A 23 -8.530 -12.827 3.167 1.00 50.44 C ATOM 397 CG GLU A 23 -7.904 -12.585 1.767 1.00 41.34 C ATOM 398 CD GLU A 23 -8.895 -12.135 0.674 1.00 13.15 C ATOM 399 OE1 GLU A 23 -9.478 -11.041 0.788 1.00 31.10 O ATOM 400 OE2 GLU A 23 -9.093 -12.876 -0.314 1.00 34.24 O ATOM 0 H GLU A 23 -6.807 -11.289 4.099 1.00 2.45 H new ATOM 0 HA GLU A 23 -9.526 -10.910 3.382 1.00 52.50 H new ATOM 0 HB2 GLU A 23 -7.837 -13.431 3.753 1.00 50.44 H new ATOM 0 HB3 GLU A 23 -9.437 -13.417 3.039 1.00 50.44 H new ATOM 0 HG2 GLU A 23 -7.124 -11.830 1.861 1.00 41.34 H new ATOM 0 HG3 GLU A 23 -7.419 -13.505 1.439 1.00 41.34 H new ATOM 407 N ASN A 24 -8.882 -12.350 6.312 1.00 3.33 N ATOM 408 CA ASN A 24 -9.436 -12.775 7.614 1.00 11.34 C ATOM 409 C ASN A 24 -9.825 -11.556 8.475 1.00 72.22 C ATOM 410 O ASN A 24 -10.640 -11.678 9.394 1.00 61.42 O ATOM 411 CB ASN A 24 -8.419 -13.679 8.379 1.00 71.31 C ATOM 412 CG ASN A 24 -8.227 -15.084 7.780 1.00 23.43 C ATOM 413 OD1 ASN A 24 -8.000 -16.047 8.518 1.00 4.41 O ATOM 414 ND2 ASN A 24 -8.283 -15.225 6.451 1.00 2.42 N ATOM 0 H ASN A 24 -7.864 -12.394 6.268 1.00 3.33 H new ATOM 0 HA ASN A 24 -10.338 -13.356 7.419 1.00 11.34 H new ATOM 0 HB2 ASN A 24 -7.453 -13.175 8.404 1.00 71.31 H new ATOM 0 HB3 ASN A 24 -8.751 -13.782 9.412 1.00 71.31 H new ATOM 0 HD21 ASN A 24 -8.137 -16.142 6.029 1.00 2.42 H new ATOM 0 HD22 ASN A 24 -8.472 -14.416 5.860 1.00 2.42 H new ATOM 421 N GLN A 25 -9.219 -10.388 8.179 1.00 35.12 N ATOM 422 CA GLN A 25 -9.519 -9.118 8.881 1.00 14.44 C ATOM 423 C GLN A 25 -10.697 -8.371 8.215 1.00 44.21 C ATOM 424 O GLN A 25 -11.149 -7.339 8.727 1.00 23.55 O ATOM 425 CB GLN A 25 -8.245 -8.229 8.945 1.00 42.10 C ATOM 426 CG GLN A 25 -7.061 -8.844 9.738 1.00 10.15 C ATOM 427 CD GLN A 25 -7.259 -8.937 11.264 1.00 13.44 C ATOM 428 OE1 GLN A 25 -8.377 -9.031 11.780 1.00 61.12 O ATOM 429 NE2 GLN A 25 -6.157 -8.947 12.001 1.00 11.21 N ATOM 0 H GLN A 25 -8.511 -10.296 7.451 1.00 35.12 H new ATOM 0 HA GLN A 25 -9.826 -9.352 9.901 1.00 14.44 H new ATOM 0 HB2 GLN A 25 -7.913 -8.020 7.928 1.00 42.10 H new ATOM 0 HB3 GLN A 25 -8.509 -7.273 9.397 1.00 42.10 H new ATOM 0 HG2 GLN A 25 -6.870 -9.846 9.353 1.00 10.15 H new ATOM 0 HG3 GLN A 25 -6.168 -8.251 9.541 1.00 10.15 H new ATOM 0 HE21 GLN A 25 -5.244 -8.868 11.554 1.00 11.21 H new ATOM 0 HE22 GLN A 25 -6.223 -9.034 13.015 1.00 11.21 H new ATOM 438 N GLY A 26 -11.173 -8.890 7.066 1.00 4.20 N ATOM 439 CA GLY A 26 -12.411 -8.413 6.434 1.00 43.21 C ATOM 440 C GLY A 26 -12.205 -7.292 5.423 1.00 24.34 C ATOM 441 O GLY A 26 -13.179 -6.721 4.927 1.00 42.12 O ATOM 0 H GLY A 26 -10.713 -9.644 6.557 1.00 4.20 H new ATOM 0 HA2 GLY A 26 -12.898 -9.251 5.936 1.00 43.21 H new ATOM 0 HA3 GLY A 26 -13.092 -8.066 7.211 1.00 43.21 H new ATOM 445 N TYR A 27 -10.938 -6.973 5.135 1.00 1.34 N ATOM 446 CA TYR A 27 -10.555 -5.949 4.141 1.00 44.43 C ATOM 447 C TYR A 27 -10.325 -6.623 2.781 1.00 1.21 C ATOM 448 O TYR A 27 -9.827 -7.756 2.729 1.00 3.51 O ATOM 449 CB TYR A 27 -9.262 -5.203 4.596 1.00 42.15 C ATOM 450 CG TYR A 27 -9.425 -4.222 5.768 1.00 63.54 C ATOM 451 CD1 TYR A 27 -10.117 -4.581 6.927 1.00 30.11 C ATOM 452 CD2 TYR A 27 -8.902 -2.926 5.701 1.00 64.11 C ATOM 453 CE1 TYR A 27 -10.280 -3.693 7.970 1.00 25.22 C ATOM 454 CE2 TYR A 27 -9.066 -2.036 6.740 1.00 52.40 C ATOM 455 CZ TYR A 27 -9.760 -2.423 7.873 1.00 41.11 C ATOM 456 OH TYR A 27 -9.941 -1.528 8.909 1.00 33.13 O ATOM 0 H TYR A 27 -10.139 -7.419 5.586 1.00 1.34 H new ATOM 0 HA TYR A 27 -11.359 -5.218 4.053 1.00 44.43 H new ATOM 0 HB2 TYR A 27 -8.516 -5.948 4.873 1.00 42.15 H new ATOM 0 HB3 TYR A 27 -8.864 -4.655 3.742 1.00 42.15 H new ATOM 0 HD1 TYR A 27 -10.533 -5.574 7.008 1.00 30.11 H new ATOM 0 HD2 TYR A 27 -8.360 -2.618 4.819 1.00 64.11 H new ATOM 0 HE1 TYR A 27 -10.814 -3.994 8.859 1.00 25.22 H new ATOM 0 HE2 TYR A 27 -8.654 -1.040 6.670 1.00 52.40 H new ATOM 0 HH TYR A 27 -9.512 -0.676 8.684 1.00 33.13 H new ATOM 466 N GLN A 28 -10.685 -5.929 1.682 1.00 21.40 N ATOM 467 CA GLN A 28 -10.466 -6.445 0.317 1.00 61.43 C ATOM 468 C GLN A 28 -8.989 -6.285 -0.062 1.00 34.22 C ATOM 469 O GLN A 28 -8.396 -5.217 0.156 1.00 43.44 O ATOM 470 CB GLN A 28 -11.371 -5.733 -0.740 1.00 54.42 C ATOM 471 CG GLN A 28 -12.865 -6.130 -0.693 1.00 42.14 C ATOM 472 CD GLN A 28 -13.605 -5.587 0.532 1.00 33.32 C ATOM 473 OE1 GLN A 28 -13.679 -6.221 1.585 1.00 2.42 O ATOM 474 NE2 GLN A 28 -14.156 -4.408 0.405 1.00 73.15 N ATOM 0 H GLN A 28 -11.128 -5.011 1.714 1.00 21.40 H new ATOM 0 HA GLN A 28 -10.740 -7.500 0.315 1.00 61.43 H new ATOM 0 HB2 GLN A 28 -11.292 -4.655 -0.597 1.00 54.42 H new ATOM 0 HB3 GLN A 28 -10.983 -5.952 -1.735 1.00 54.42 H new ATOM 0 HG2 GLN A 28 -13.357 -5.767 -1.595 1.00 42.14 H new ATOM 0 HG3 GLN A 28 -12.944 -7.217 -0.702 1.00 42.14 H new ATOM 0 HE21 GLN A 28 -14.081 -3.902 -0.478 1.00 73.15 H new ATOM 0 HE22 GLN A 28 -14.661 -3.994 1.189 1.00 73.15 H new ATOM 483 N VAL A 29 -8.404 -7.359 -0.616 1.00 12.04 N ATOM 484 CA VAL A 29 -7.016 -7.370 -1.067 1.00 60.20 C ATOM 485 C VAL A 29 -6.984 -7.077 -2.565 1.00 51.54 C ATOM 486 O VAL A 29 -7.419 -7.901 -3.387 1.00 75.41 O ATOM 487 CB VAL A 29 -6.290 -8.741 -0.800 1.00 61.33 C ATOM 488 CG1 VAL A 29 -4.777 -8.612 -1.096 1.00 14.11 C ATOM 489 CG2 VAL A 29 -6.538 -9.244 0.632 1.00 1.24 C ATOM 0 H VAL A 29 -8.888 -8.245 -0.761 1.00 12.04 H new ATOM 0 HA VAL A 29 -6.484 -6.608 -0.497 1.00 60.20 H new ATOM 0 HB VAL A 29 -6.712 -9.485 -1.476 1.00 61.33 H new ATOM 0 HG11 VAL A 29 -4.287 -9.567 -0.907 1.00 14.11 H new ATOM 0 HG12 VAL A 29 -4.633 -8.330 -2.139 1.00 14.11 H new ATOM 0 HG13 VAL A 29 -4.344 -7.848 -0.450 1.00 14.11 H new ATOM 0 HG21 VAL A 29 -6.021 -10.192 0.779 1.00 1.24 H new ATOM 0 HG22 VAL A 29 -6.161 -8.511 1.345 1.00 1.24 H new ATOM 0 HG23 VAL A 29 -7.607 -9.386 0.788 1.00 1.24 H new ATOM 499 N ARG A 30 -6.507 -5.888 -2.902 1.00 74.24 N ATOM 500 CA ARG A 30 -6.228 -5.499 -4.277 1.00 32.11 C ATOM 501 C ARG A 30 -4.771 -5.871 -4.585 1.00 35.43 C ATOM 502 O ARG A 30 -3.919 -5.773 -3.702 1.00 11.02 O ATOM 503 CB ARG A 30 -6.428 -3.975 -4.450 1.00 25.34 C ATOM 504 CG ARG A 30 -6.522 -3.518 -5.921 1.00 41.32 C ATOM 505 CD ARG A 30 -7.918 -3.751 -6.516 1.00 45.02 C ATOM 506 NE ARG A 30 -8.896 -2.827 -5.914 1.00 14.45 N ATOM 507 CZ ARG A 30 -10.177 -3.082 -5.637 1.00 11.13 C ATOM 508 NH1 ARG A 30 -10.727 -4.271 -5.891 1.00 71.31 N ATOM 509 NH2 ARG A 30 -10.919 -2.107 -5.133 1.00 64.12 N ATOM 0 H ARG A 30 -6.300 -5.158 -2.221 1.00 74.24 H new ATOM 0 HA ARG A 30 -6.906 -6.012 -4.959 1.00 32.11 H new ATOM 0 HB2 ARG A 30 -7.338 -3.677 -3.929 1.00 25.34 H new ATOM 0 HB3 ARG A 30 -5.600 -3.453 -3.970 1.00 25.34 H new ATOM 0 HG2 ARG A 30 -6.274 -2.459 -5.986 1.00 41.32 H new ATOM 0 HG3 ARG A 30 -5.782 -4.056 -6.514 1.00 41.32 H new ATOM 0 HD2 ARG A 30 -7.888 -3.606 -7.596 1.00 45.02 H new ATOM 0 HD3 ARG A 30 -8.227 -4.782 -6.341 1.00 45.02 H new ATOM 0 HE ARG A 30 -8.558 -1.892 -5.684 1.00 14.45 H new ATOM 0 HH11 ARG A 30 -10.166 -5.014 -6.308 1.00 71.31 H new ATOM 0 HH12 ARG A 30 -11.709 -4.437 -5.669 1.00 71.31 H new ATOM 0 HH21 ARG A 30 -10.509 -1.188 -4.966 1.00 64.12 H new ATOM 0 HH22 ARG A 30 -11.901 -2.275 -4.912 1.00 64.12 H new ATOM 523 N ASP A 31 -4.490 -6.327 -5.807 1.00 12.43 N ATOM 524 CA ASP A 31 -3.106 -6.507 -6.292 1.00 31.21 C ATOM 525 C ASP A 31 -2.937 -5.748 -7.614 1.00 62.11 C ATOM 526 O ASP A 31 -3.841 -5.731 -8.463 1.00 64.35 O ATOM 527 CB ASP A 31 -2.736 -8.010 -6.446 1.00 0.20 C ATOM 528 CG ASP A 31 -3.502 -8.730 -7.568 1.00 63.15 C ATOM 529 OD1 ASP A 31 -4.697 -9.046 -7.378 1.00 42.00 O ATOM 530 OD2 ASP A 31 -2.920 -8.975 -8.651 1.00 54.51 O ATOM 0 H ASP A 31 -5.204 -6.582 -6.489 1.00 12.43 H new ATOM 0 HA ASP A 31 -2.418 -6.098 -5.552 1.00 31.21 H new ATOM 0 HB2 ASP A 31 -1.666 -8.092 -6.639 1.00 0.20 H new ATOM 0 HB3 ASP A 31 -2.930 -8.520 -5.502 1.00 0.20 H new ATOM 535 N VAL A 32 -1.791 -5.074 -7.739 1.00 42.25 N ATOM 536 CA VAL A 32 -1.421 -4.292 -8.914 1.00 25.32 C ATOM 537 C VAL A 32 -0.026 -4.761 -9.368 1.00 63.45 C ATOM 538 O VAL A 32 0.951 -4.674 -8.614 1.00 61.42 O ATOM 539 CB VAL A 32 -1.413 -2.745 -8.580 1.00 43.43 C ATOM 540 CG1 VAL A 32 -0.942 -1.902 -9.783 1.00 1.34 C ATOM 541 CG2 VAL A 32 -2.803 -2.260 -8.081 1.00 64.42 C ATOM 0 H VAL A 32 -1.080 -5.059 -7.007 1.00 42.25 H new ATOM 0 HA VAL A 32 -2.148 -4.444 -9.712 1.00 25.32 H new ATOM 0 HB VAL A 32 -0.696 -2.601 -7.772 1.00 43.43 H new ATOM 0 HG11 VAL A 32 -0.951 -0.846 -9.513 1.00 1.34 H new ATOM 0 HG12 VAL A 32 0.070 -2.197 -10.060 1.00 1.34 H new ATOM 0 HG13 VAL A 32 -1.612 -2.066 -10.627 1.00 1.34 H new ATOM 0 HG21 VAL A 32 -2.759 -1.193 -7.862 1.00 64.42 H new ATOM 0 HG22 VAL A 32 -3.550 -2.441 -8.854 1.00 64.42 H new ATOM 0 HG23 VAL A 32 -3.076 -2.805 -7.177 1.00 64.42 H new ATOM 551 N ASN A 33 0.043 -5.270 -10.601 1.00 21.32 N ATOM 552 CA ASN A 33 1.290 -5.775 -11.224 1.00 75.25 C ATOM 553 C ASN A 33 1.719 -4.819 -12.356 1.00 22.22 C ATOM 554 O ASN A 33 2.864 -4.856 -12.813 1.00 4.22 O ATOM 555 CB ASN A 33 1.073 -7.208 -11.801 1.00 3.23 C ATOM 556 CG ASN A 33 0.370 -8.167 -10.831 1.00 30.43 C ATOM 557 OD1 ASN A 33 1.007 -8.897 -10.067 1.00 70.41 O ATOM 558 ND2 ASN A 33 -0.956 -8.166 -10.853 1.00 71.24 N ATOM 0 H ASN A 33 -0.771 -5.348 -11.210 1.00 21.32 H new ATOM 0 HA ASN A 33 2.070 -5.821 -10.464 1.00 75.25 H new ATOM 0 HB2 ASN A 33 0.485 -7.136 -12.716 1.00 3.23 H new ATOM 0 HB3 ASN A 33 2.040 -7.629 -12.076 1.00 3.23 H new ATOM 0 HD21 ASN A 33 -1.477 -8.780 -10.227 1.00 71.24 H new ATOM 0 HD22 ASN A 33 -1.455 -7.551 -11.496 1.00 71.24 H new ATOM 565 N ASP A 34 0.774 -3.966 -12.796 1.00 0.54 N ATOM 566 CA ASP A 34 0.965 -3.028 -13.916 1.00 50.30 C ATOM 567 C ASP A 34 0.129 -1.755 -13.669 1.00 21.13 C ATOM 568 O ASP A 34 -0.843 -1.787 -12.907 1.00 51.41 O ATOM 569 CB ASP A 34 0.553 -3.718 -15.253 1.00 60.53 C ATOM 570 CG ASP A 34 0.821 -2.856 -16.507 1.00 33.44 C ATOM 571 OD1 ASP A 34 1.978 -2.812 -16.977 1.00 64.43 O ATOM 572 OD2 ASP A 34 -0.115 -2.188 -17.005 1.00 24.44 O ATOM 0 H ASP A 34 -0.154 -3.909 -12.378 1.00 0.54 H new ATOM 0 HA ASP A 34 2.015 -2.743 -13.987 1.00 50.30 H new ATOM 0 HB2 ASP A 34 1.095 -4.659 -15.348 1.00 60.53 H new ATOM 0 HB3 ASP A 34 -0.508 -3.964 -15.212 1.00 60.53 H new ATOM 577 N SER A 35 0.498 -0.655 -14.359 1.00 5.54 N ATOM 578 CA SER A 35 -0.145 0.672 -14.233 1.00 14.11 C ATOM 579 C SER A 35 -1.649 0.642 -14.588 1.00 2.11 C ATOM 580 O SER A 35 -2.414 1.484 -14.119 1.00 24.23 O ATOM 581 CB SER A 35 0.595 1.674 -15.146 1.00 33.22 C ATOM 582 OG SER A 35 1.994 1.632 -14.923 1.00 25.14 O ATOM 0 H SER A 35 1.265 -0.664 -15.032 1.00 5.54 H new ATOM 0 HA SER A 35 -0.077 0.980 -13.190 1.00 14.11 H new ATOM 0 HB2 SER A 35 0.383 1.444 -16.190 1.00 33.22 H new ATOM 0 HB3 SER A 35 0.224 2.682 -14.960 1.00 33.22 H new ATOM 0 HG SER A 35 2.439 2.274 -15.515 1.00 25.14 H new ATOM 588 N ASP A 36 -2.051 -0.369 -15.376 1.00 42.40 N ATOM 589 CA ASP A 36 -3.437 -0.537 -15.856 1.00 75.15 C ATOM 590 C ASP A 36 -4.371 -0.902 -14.685 1.00 12.42 C ATOM 591 O ASP A 36 -5.520 -0.449 -14.610 1.00 65.12 O ATOM 592 CB ASP A 36 -3.477 -1.658 -16.934 1.00 42.12 C ATOM 593 CG ASP A 36 -4.874 -1.871 -17.555 1.00 71.30 C ATOM 594 OD1 ASP A 36 -5.184 -1.214 -18.572 1.00 25.30 O ATOM 595 OD2 ASP A 36 -5.660 -2.693 -17.026 1.00 62.04 O ATOM 0 H ASP A 36 -1.419 -1.100 -15.702 1.00 42.40 H new ATOM 0 HA ASP A 36 -3.779 0.402 -16.292 1.00 75.15 H new ATOM 0 HB2 ASP A 36 -2.770 -1.413 -17.727 1.00 42.12 H new ATOM 0 HB3 ASP A 36 -3.142 -2.593 -16.486 1.00 42.12 H new ATOM 600 N GLU A 37 -3.824 -1.704 -13.758 1.00 74.32 N ATOM 601 CA GLU A 37 -4.584 -2.349 -12.675 1.00 73.13 C ATOM 602 C GLU A 37 -4.848 -1.406 -11.495 1.00 74.23 C ATOM 603 O GLU A 37 -5.794 -1.625 -10.729 1.00 30.24 O ATOM 604 CB GLU A 37 -3.828 -3.619 -12.218 1.00 63.31 C ATOM 605 CG GLU A 37 -3.596 -4.622 -13.366 1.00 52.25 C ATOM 606 CD GLU A 37 -2.797 -5.853 -12.939 1.00 34.43 C ATOM 607 OE1 GLU A 37 -3.396 -6.836 -12.458 1.00 62.23 O ATOM 608 OE2 GLU A 37 -1.571 -5.834 -13.079 1.00 62.12 O ATOM 0 H GLU A 37 -2.829 -1.926 -13.739 1.00 74.32 H new ATOM 0 HA GLU A 37 -5.565 -2.623 -13.063 1.00 73.13 H new ATOM 0 HB2 GLU A 37 -2.866 -3.331 -11.794 1.00 63.31 H new ATOM 0 HB3 GLU A 37 -4.393 -4.107 -11.424 1.00 63.31 H new ATOM 0 HG2 GLU A 37 -4.560 -4.942 -13.760 1.00 52.25 H new ATOM 0 HG3 GLU A 37 -3.070 -4.120 -14.178 1.00 52.25 H new ATOM 615 N LEU A 38 -4.013 -0.363 -11.336 1.00 13.24 N ATOM 616 CA LEU A 38 -4.209 0.633 -10.270 1.00 10.44 C ATOM 617 C LEU A 38 -5.281 1.659 -10.674 1.00 54.22 C ATOM 618 O LEU A 38 -6.222 1.901 -9.925 1.00 40.34 O ATOM 619 CB LEU A 38 -2.850 1.285 -9.860 1.00 54.33 C ATOM 620 CG LEU A 38 -2.023 2.109 -10.925 1.00 70.35 C ATOM 621 CD1 LEU A 38 -2.435 3.598 -10.986 1.00 11.24 C ATOM 622 CD2 LEU A 38 -0.507 1.998 -10.670 1.00 74.42 C ATOM 0 H LEU A 38 -3.201 -0.190 -11.929 1.00 13.24 H new ATOM 0 HA LEU A 38 -4.586 0.131 -9.379 1.00 10.44 H new ATOM 0 HB2 LEU A 38 -3.048 1.948 -9.018 1.00 54.33 H new ATOM 0 HB3 LEU A 38 -2.204 0.488 -9.493 1.00 54.33 H new ATOM 0 HG LEU A 38 -2.257 1.663 -11.891 1.00 70.35 H new ATOM 0 HD11 LEU A 38 -1.832 4.112 -11.735 1.00 11.24 H new ATOM 0 HD12 LEU A 38 -3.489 3.673 -11.254 1.00 11.24 H new ATOM 0 HD13 LEU A 38 -2.275 4.060 -10.012 1.00 11.24 H new ATOM 0 HD21 LEU A 38 0.032 2.576 -11.421 1.00 74.42 H new ATOM 0 HD22 LEU A 38 -0.276 2.386 -9.678 1.00 74.42 H new ATOM 0 HD23 LEU A 38 -0.203 0.953 -10.731 1.00 74.42 H new ATOM 634 N LYS A 39 -5.172 2.183 -11.906 1.00 62.00 N ATOM 635 CA LYS A 39 -6.003 3.318 -12.376 1.00 72.23 C ATOM 636 C LYS A 39 -7.473 2.918 -12.579 1.00 3.20 C ATOM 637 O LYS A 39 -8.356 3.774 -12.503 1.00 33.03 O ATOM 638 CB LYS A 39 -5.416 3.912 -13.682 1.00 42.00 C ATOM 639 CG LYS A 39 -5.271 2.899 -14.844 1.00 43.42 C ATOM 640 CD LYS A 39 -4.652 3.525 -16.114 1.00 4.04 C ATOM 641 CE LYS A 39 -3.217 4.041 -15.892 1.00 15.41 C ATOM 642 NZ LYS A 39 -2.715 4.810 -17.056 1.00 35.43 N ATOM 0 H LYS A 39 -4.512 1.839 -12.604 1.00 62.00 H new ATOM 0 HA LYS A 39 -5.982 4.079 -11.596 1.00 72.23 H new ATOM 0 HB2 LYS A 39 -6.053 4.733 -14.011 1.00 42.00 H new ATOM 0 HB3 LYS A 39 -4.436 4.337 -13.464 1.00 42.00 H new ATOM 0 HG2 LYS A 39 -4.650 2.065 -14.517 1.00 43.42 H new ATOM 0 HG3 LYS A 39 -6.252 2.490 -15.088 1.00 43.42 H new ATOM 0 HD2 LYS A 39 -4.646 2.783 -16.912 1.00 4.04 H new ATOM 0 HD3 LYS A 39 -5.281 4.349 -16.450 1.00 4.04 H new ATOM 0 HE2 LYS A 39 -3.192 4.672 -15.003 1.00 15.41 H new ATOM 0 HE3 LYS A 39 -2.554 3.197 -15.702 1.00 15.41 H new ATOM 0 HZ1 LYS A 39 -1.747 5.138 -16.864 1.00 35.43 H new ATOM 0 HZ2 LYS A 39 -2.713 4.202 -17.899 1.00 35.43 H new ATOM 0 HZ3 LYS A 39 -3.332 5.631 -17.222 1.00 35.43 H new ATOM 656 N LYS A 40 -7.722 1.622 -12.839 1.00 74.24 N ATOM 657 CA LYS A 40 -9.079 1.104 -13.080 1.00 21.35 C ATOM 658 C LYS A 40 -9.907 1.083 -11.776 1.00 55.32 C ATOM 659 O LYS A 40 -11.090 1.449 -11.775 1.00 41.11 O ATOM 660 CB LYS A 40 -9.004 -0.304 -13.731 1.00 15.13 C ATOM 661 CG LYS A 40 -8.386 -1.424 -12.857 1.00 43.44 C ATOM 662 CD LYS A 40 -8.226 -2.763 -13.622 1.00 40.24 C ATOM 663 CE LYS A 40 -9.559 -3.327 -14.139 1.00 13.23 C ATOM 664 NZ LYS A 40 -9.366 -4.565 -14.941 1.00 50.31 N ATOM 0 H LYS A 40 -6.994 0.910 -12.888 1.00 74.24 H new ATOM 0 HA LYS A 40 -9.590 1.773 -13.773 1.00 21.35 H new ATOM 0 HB2 LYS A 40 -10.012 -0.606 -14.014 1.00 15.13 H new ATOM 0 HB3 LYS A 40 -8.424 -0.227 -14.651 1.00 15.13 H new ATOM 0 HG2 LYS A 40 -7.411 -1.099 -12.494 1.00 43.44 H new ATOM 0 HG3 LYS A 40 -9.015 -1.584 -11.981 1.00 43.44 H new ATOM 0 HD2 LYS A 40 -7.550 -2.614 -14.464 1.00 40.24 H new ATOM 0 HD3 LYS A 40 -7.759 -3.496 -12.964 1.00 40.24 H new ATOM 0 HE2 LYS A 40 -10.214 -3.540 -13.295 1.00 13.23 H new ATOM 0 HE3 LYS A 40 -10.059 -2.574 -14.748 1.00 13.23 H new ATOM 0 HZ1 LYS A 40 -10.289 -4.913 -15.270 1.00 50.31 H new ATOM 0 HZ2 LYS A 40 -8.762 -4.357 -15.761 1.00 50.31 H new ATOM 0 HZ3 LYS A 40 -8.912 -5.293 -14.353 1.00 50.31 H new ATOM 678 N GLU A 41 -9.253 0.682 -10.667 1.00 63.44 N ATOM 679 CA GLU A 41 -9.906 0.560 -9.357 1.00 43.33 C ATOM 680 C GLU A 41 -9.904 1.918 -8.634 1.00 31.03 C ATOM 681 O GLU A 41 -10.800 2.189 -7.843 1.00 2.22 O ATOM 682 CB GLU A 41 -9.252 -0.581 -8.528 1.00 71.21 C ATOM 683 CG GLU A 41 -7.811 -0.335 -7.992 1.00 42.44 C ATOM 684 CD GLU A 41 -7.757 0.434 -6.646 1.00 61.45 C ATOM 685 OE1 GLU A 41 -8.600 0.155 -5.748 1.00 30.05 O ATOM 686 OE2 GLU A 41 -6.883 1.301 -6.483 1.00 62.13 O ATOM 0 H GLU A 41 -8.263 0.436 -10.658 1.00 63.44 H new ATOM 0 HA GLU A 41 -10.951 0.280 -9.491 1.00 43.33 H new ATOM 0 HB2 GLU A 41 -9.898 -0.792 -7.676 1.00 71.21 H new ATOM 0 HB3 GLU A 41 -9.234 -1.479 -9.145 1.00 71.21 H new ATOM 0 HG2 GLU A 41 -7.312 -1.296 -7.869 1.00 42.44 H new ATOM 0 HG3 GLU A 41 -7.247 0.223 -8.740 1.00 42.44 H new ATOM 693 N MET A 42 -8.891 2.765 -8.941 1.00 33.43 N ATOM 694 CA MET A 42 -8.792 4.160 -8.440 1.00 65.42 C ATOM 695 C MET A 42 -9.960 5.023 -8.950 1.00 22.12 C ATOM 696 O MET A 42 -10.386 5.969 -8.270 1.00 3.30 O ATOM 697 CB MET A 42 -7.424 4.791 -8.839 1.00 62.23 C ATOM 698 CG MET A 42 -6.254 4.361 -7.944 1.00 43.45 C ATOM 699 SD MET A 42 -6.361 5.091 -6.296 1.00 34.21 S ATOM 700 CE MET A 42 -5.384 3.940 -5.338 1.00 20.22 C ATOM 0 H MET A 42 -8.115 2.499 -9.547 1.00 33.43 H new ATOM 0 HA MET A 42 -8.854 4.129 -7.352 1.00 65.42 H new ATOM 0 HB2 MET A 42 -7.198 4.520 -9.870 1.00 62.23 H new ATOM 0 HB3 MET A 42 -7.513 5.877 -8.806 1.00 62.23 H new ATOM 0 HG2 MET A 42 -6.242 3.274 -7.859 1.00 43.45 H new ATOM 0 HG3 MET A 42 -5.314 4.654 -8.410 1.00 43.45 H new ATOM 0 HE1 MET A 42 -5.963 3.596 -4.481 1.00 20.22 H new ATOM 0 HE2 MET A 42 -5.115 3.086 -5.960 1.00 20.22 H new ATOM 0 HE3 MET A 42 -4.478 4.435 -4.989 1.00 20.22 H new ATOM 710 N LYS A 43 -10.440 4.703 -10.169 1.00 73.05 N ATOM 711 CA LYS A 43 -11.682 5.271 -10.709 1.00 62.03 C ATOM 712 C LYS A 43 -12.869 4.826 -9.849 1.00 72.12 C ATOM 713 O LYS A 43 -13.649 5.659 -9.406 1.00 14.34 O ATOM 714 CB LYS A 43 -11.886 4.848 -12.189 1.00 62.12 C ATOM 715 CG LYS A 43 -10.931 5.555 -13.170 1.00 72.50 C ATOM 716 CD LYS A 43 -11.062 5.042 -14.619 1.00 70.23 C ATOM 717 CE LYS A 43 -10.126 5.784 -15.589 1.00 62.25 C ATOM 718 NZ LYS A 43 -8.697 5.672 -15.179 1.00 72.01 N ATOM 0 H LYS A 43 -9.978 4.048 -10.799 1.00 73.05 H new ATOM 0 HA LYS A 43 -11.613 6.358 -10.681 1.00 62.03 H new ATOM 0 HB2 LYS A 43 -11.747 3.770 -12.273 1.00 62.12 H new ATOM 0 HB3 LYS A 43 -12.915 5.060 -12.480 1.00 62.12 H new ATOM 0 HG2 LYS A 43 -11.129 6.627 -13.151 1.00 72.50 H new ATOM 0 HG3 LYS A 43 -9.904 5.414 -12.833 1.00 72.50 H new ATOM 0 HD2 LYS A 43 -10.838 3.976 -14.646 1.00 70.23 H new ATOM 0 HD3 LYS A 43 -12.093 5.160 -14.952 1.00 70.23 H new ATOM 0 HE2 LYS A 43 -10.248 5.378 -16.593 1.00 62.25 H new ATOM 0 HE3 LYS A 43 -10.409 6.836 -15.634 1.00 62.25 H new ATOM 0 HZ1 LYS A 43 -8.113 5.451 -16.011 1.00 72.01 H new ATOM 0 HZ2 LYS A 43 -8.383 6.573 -14.765 1.00 72.01 H new ATOM 0 HZ3 LYS A 43 -8.596 4.914 -14.474 1.00 72.01 H new ATOM 732 N LYS A 44 -12.954 3.500 -9.595 1.00 74.01 N ATOM 733 CA LYS A 44 -14.038 2.883 -8.794 1.00 13.53 C ATOM 734 C LYS A 44 -14.091 3.435 -7.353 1.00 22.41 C ATOM 735 O LYS A 44 -15.160 3.455 -6.747 1.00 32.11 O ATOM 736 CB LYS A 44 -13.892 1.337 -8.781 1.00 2.30 C ATOM 737 CG LYS A 44 -14.008 0.686 -10.170 1.00 15.34 C ATOM 738 CD LYS A 44 -15.411 0.874 -10.803 1.00 0.54 C ATOM 739 CE LYS A 44 -15.513 0.241 -12.199 1.00 24.53 C ATOM 740 NZ LYS A 44 -15.252 -1.223 -12.173 1.00 61.30 N ATOM 0 H LYS A 44 -12.271 2.825 -9.940 1.00 74.01 H new ATOM 0 HA LYS A 44 -14.981 3.147 -9.272 1.00 13.53 H new ATOM 0 HB2 LYS A 44 -12.926 1.077 -8.349 1.00 2.30 H new ATOM 0 HB3 LYS A 44 -14.657 0.916 -8.128 1.00 2.30 H new ATOM 0 HG2 LYS A 44 -13.255 1.114 -10.832 1.00 15.34 H new ATOM 0 HG3 LYS A 44 -13.791 -0.379 -10.087 1.00 15.34 H new ATOM 0 HD2 LYS A 44 -16.163 0.431 -10.150 1.00 0.54 H new ATOM 0 HD3 LYS A 44 -15.636 1.938 -10.872 1.00 0.54 H new ATOM 0 HE2 LYS A 44 -16.507 0.424 -12.607 1.00 24.53 H new ATOM 0 HE3 LYS A 44 -14.800 0.724 -12.868 1.00 24.53 H new ATOM 0 HZ1 LYS A 44 -15.479 -1.633 -13.101 1.00 61.30 H new ATOM 0 HZ2 LYS A 44 -14.249 -1.393 -11.956 1.00 61.30 H new ATOM 0 HZ3 LYS A 44 -15.845 -1.668 -11.444 1.00 61.30 H new ATOM 754 N LEU A 45 -12.931 3.880 -6.817 1.00 3.31 N ATOM 755 CA LEU A 45 -12.866 4.539 -5.498 1.00 53.52 C ATOM 756 C LEU A 45 -13.686 5.844 -5.504 1.00 4.25 C ATOM 757 O LEU A 45 -14.445 6.117 -4.571 1.00 72.40 O ATOM 758 CB LEU A 45 -11.393 4.806 -5.082 1.00 52.03 C ATOM 759 CG LEU A 45 -10.476 3.551 -4.947 1.00 32.35 C ATOM 760 CD1 LEU A 45 -9.055 3.942 -4.509 1.00 54.54 C ATOM 761 CD2 LEU A 45 -11.083 2.488 -4.005 1.00 41.24 C ATOM 0 H LEU A 45 -12.027 3.793 -7.281 1.00 3.31 H new ATOM 0 HA LEU A 45 -13.303 3.868 -4.759 1.00 53.52 H new ATOM 0 HB2 LEU A 45 -10.947 5.479 -5.814 1.00 52.03 H new ATOM 0 HB3 LEU A 45 -11.397 5.332 -4.127 1.00 52.03 H new ATOM 0 HG LEU A 45 -10.407 3.098 -5.936 1.00 32.35 H new ATOM 0 HD11 LEU A 45 -8.441 3.046 -4.424 1.00 54.54 H new ATOM 0 HD12 LEU A 45 -8.618 4.613 -5.249 1.00 54.54 H new ATOM 0 HD13 LEU A 45 -9.098 4.445 -3.543 1.00 54.54 H new ATOM 0 HD21 LEU A 45 -10.411 1.632 -3.941 1.00 41.24 H new ATOM 0 HD22 LEU A 45 -11.220 2.917 -3.012 1.00 41.24 H new ATOM 0 HD23 LEU A 45 -12.047 2.163 -4.396 1.00 41.24 H new ATOM 773 N ALA A 46 -13.552 6.613 -6.603 1.00 33.30 N ATOM 774 CA ALA A 46 -14.270 7.885 -6.802 1.00 64.23 C ATOM 775 C ALA A 46 -15.749 7.653 -7.192 1.00 33.20 C ATOM 776 O ALA A 46 -16.642 8.338 -6.677 1.00 22.34 O ATOM 777 CB ALA A 46 -13.570 8.711 -7.890 1.00 52.21 C ATOM 0 H ALA A 46 -12.939 6.367 -7.380 1.00 33.30 H new ATOM 0 HA ALA A 46 -14.255 8.428 -5.857 1.00 64.23 H new ATOM 0 HB1 ALA A 46 -14.104 9.650 -8.034 1.00 52.21 H new ATOM 0 HB2 ALA A 46 -12.545 8.920 -7.585 1.00 52.21 H new ATOM 0 HB3 ALA A 46 -13.564 8.150 -8.825 1.00 52.21 H new ATOM 783 N GLU A 47 -15.981 6.669 -8.090 1.00 61.12 N ATOM 784 CA GLU A 47 -17.290 6.446 -8.757 1.00 22.44 C ATOM 785 C GLU A 47 -18.336 5.880 -7.797 1.00 51.41 C ATOM 786 O GLU A 47 -19.485 6.353 -7.782 1.00 11.05 O ATOM 787 CB GLU A 47 -17.123 5.495 -9.976 1.00 31.11 C ATOM 788 CG GLU A 47 -16.277 6.073 -11.129 1.00 71.42 C ATOM 789 CD GLU A 47 -16.097 5.068 -12.270 1.00 53.14 C ATOM 790 OE1 GLU A 47 -15.302 4.120 -12.107 1.00 34.53 O ATOM 791 OE2 GLU A 47 -16.770 5.196 -13.317 1.00 3.54 O ATOM 0 H GLU A 47 -15.264 6.002 -8.376 1.00 61.12 H new ATOM 0 HA GLU A 47 -17.645 7.418 -9.099 1.00 22.44 H new ATOM 0 HB2 GLU A 47 -16.664 4.567 -9.636 1.00 31.11 H new ATOM 0 HB3 GLU A 47 -18.111 5.240 -10.360 1.00 31.11 H new ATOM 0 HG2 GLU A 47 -16.755 6.975 -11.512 1.00 71.42 H new ATOM 0 HG3 GLU A 47 -15.299 6.368 -10.748 1.00 71.42 H new ATOM 798 N GLU A 48 -17.943 4.857 -7.020 1.00 60.05 N ATOM 799 CA GLU A 48 -18.846 4.224 -6.048 1.00 35.03 C ATOM 800 C GLU A 48 -19.140 5.220 -4.907 1.00 2.01 C ATOM 801 O GLU A 48 -18.209 5.796 -4.318 1.00 45.35 O ATOM 802 CB GLU A 48 -18.256 2.898 -5.504 1.00 53.21 C ATOM 803 CG GLU A 48 -17.855 1.865 -6.575 1.00 5.34 C ATOM 804 CD GLU A 48 -19.003 1.468 -7.510 1.00 35.32 C ATOM 805 OE1 GLU A 48 -19.980 0.840 -7.034 1.00 12.11 O ATOM 806 OE2 GLU A 48 -18.941 1.777 -8.718 1.00 24.13 O ATOM 0 H GLU A 48 -17.007 4.452 -7.047 1.00 60.05 H new ATOM 0 HA GLU A 48 -19.781 3.968 -6.547 1.00 35.03 H new ATOM 0 HB2 GLU A 48 -17.378 3.131 -4.901 1.00 53.21 H new ATOM 0 HB3 GLU A 48 -18.988 2.441 -4.838 1.00 53.21 H new ATOM 0 HG2 GLU A 48 -17.037 2.271 -7.170 1.00 5.34 H new ATOM 0 HG3 GLU A 48 -17.476 0.971 -6.080 1.00 5.34 H new ATOM 813 N LYS A 49 -20.439 5.408 -4.628 1.00 52.12 N ATOM 814 CA LYS A 49 -20.958 6.488 -3.768 1.00 42.21 C ATOM 815 C LYS A 49 -20.503 6.349 -2.304 1.00 51.32 C ATOM 816 O LYS A 49 -19.918 7.285 -1.739 1.00 61.32 O ATOM 817 CB LYS A 49 -22.507 6.515 -3.847 1.00 33.12 C ATOM 818 CG LYS A 49 -23.073 6.744 -5.266 1.00 33.35 C ATOM 819 CD LYS A 49 -24.622 6.733 -5.296 1.00 33.45 C ATOM 820 CE LYS A 49 -25.255 7.825 -4.411 1.00 31.51 C ATOM 821 NZ LYS A 49 -26.739 7.724 -4.372 1.00 50.01 N ATOM 0 H LYS A 49 -21.173 4.804 -4.999 1.00 52.12 H new ATOM 0 HA LYS A 49 -20.548 7.428 -4.138 1.00 42.21 H new ATOM 0 HB2 LYS A 49 -22.894 5.571 -3.463 1.00 33.12 H new ATOM 0 HB3 LYS A 49 -22.878 7.302 -3.190 1.00 33.12 H new ATOM 0 HG2 LYS A 49 -22.712 7.699 -5.648 1.00 33.35 H new ATOM 0 HG3 LYS A 49 -22.694 5.970 -5.934 1.00 33.35 H new ATOM 0 HD2 LYS A 49 -24.960 6.866 -6.324 1.00 33.45 H new ATOM 0 HD3 LYS A 49 -24.978 5.757 -4.968 1.00 33.45 H new ATOM 0 HE2 LYS A 49 -24.860 7.744 -3.398 1.00 31.51 H new ATOM 0 HE3 LYS A 49 -24.969 8.807 -4.787 1.00 31.51 H new ATOM 0 HZ1 LYS A 49 -27.122 8.477 -3.766 1.00 50.01 H new ATOM 0 HZ2 LYS A 49 -27.119 7.827 -5.334 1.00 50.01 H new ATOM 0 HZ3 LYS A 49 -27.014 6.797 -3.988 1.00 50.01 H new ATOM 835 N ASN A 50 -20.766 5.180 -1.708 1.00 52.14 N ATOM 836 CA ASN A 50 -20.487 4.922 -0.281 1.00 4.22 C ATOM 837 C ASN A 50 -20.018 3.475 -0.089 1.00 61.13 C ATOM 838 O ASN A 50 -20.757 2.530 -0.407 1.00 21.24 O ATOM 839 CB ASN A 50 -21.757 5.179 0.578 1.00 53.31 C ATOM 840 CG ASN A 50 -21.554 4.908 2.082 1.00 32.12 C ATOM 841 OD1 ASN A 50 -20.469 5.111 2.633 1.00 74.33 O ATOM 842 ND2 ASN A 50 -22.601 4.460 2.757 1.00 23.22 N ATOM 0 H ASN A 50 -21.177 4.384 -2.196 1.00 52.14 H new ATOM 0 HA ASN A 50 -19.699 5.602 0.044 1.00 4.22 H new ATOM 0 HB2 ASN A 50 -22.072 6.214 0.444 1.00 53.31 H new ATOM 0 HB3 ASN A 50 -22.567 4.549 0.211 1.00 53.31 H new ATOM 0 HD21 ASN A 50 -22.522 4.274 3.757 1.00 23.22 H new ATOM 0 HD22 ASN A 50 -23.487 4.301 2.277 1.00 23.22 H new ATOM 849 N PHE A 51 -18.788 3.328 0.430 1.00 50.11 N ATOM 850 CA PHE A 51 -18.194 2.034 0.796 1.00 61.10 C ATOM 851 C PHE A 51 -16.938 2.254 1.661 1.00 61.14 C ATOM 852 O PHE A 51 -16.461 3.391 1.810 1.00 42.23 O ATOM 853 CB PHE A 51 -17.899 1.143 -0.456 1.00 22.15 C ATOM 854 CG PHE A 51 -16.861 1.668 -1.458 1.00 3.31 C ATOM 855 CD1 PHE A 51 -16.930 2.961 -1.984 1.00 22.12 C ATOM 856 CD2 PHE A 51 -15.834 0.841 -1.904 1.00 60.23 C ATOM 857 CE1 PHE A 51 -16.008 3.396 -2.913 1.00 50.02 C ATOM 858 CE2 PHE A 51 -14.916 1.282 -2.830 1.00 43.34 C ATOM 859 CZ PHE A 51 -15.001 2.555 -3.330 1.00 64.15 C ATOM 0 H PHE A 51 -18.169 4.119 0.610 1.00 50.11 H new ATOM 0 HA PHE A 51 -18.923 1.482 1.389 1.00 61.10 H new ATOM 0 HB2 PHE A 51 -17.567 0.166 -0.105 1.00 22.15 H new ATOM 0 HB3 PHE A 51 -18.837 0.988 -0.990 1.00 22.15 H new ATOM 0 HD1 PHE A 51 -17.715 3.628 -1.659 1.00 22.12 H new ATOM 0 HD2 PHE A 51 -15.756 -0.164 -1.517 1.00 60.23 H new ATOM 0 HE1 PHE A 51 -16.076 4.397 -3.313 1.00 50.02 H new ATOM 0 HE2 PHE A 51 -14.127 0.624 -3.163 1.00 43.34 H new ATOM 0 HZ PHE A 51 -14.276 2.899 -4.053 1.00 64.15 H new ATOM 869 N GLU A 52 -16.412 1.153 2.211 1.00 44.53 N ATOM 870 CA GLU A 52 -15.301 1.165 3.187 1.00 21.12 C ATOM 871 C GLU A 52 -13.917 1.273 2.499 1.00 35.12 C ATOM 872 O GLU A 52 -13.816 1.561 1.301 1.00 30.43 O ATOM 873 CB GLU A 52 -15.416 -0.080 4.145 1.00 70.25 C ATOM 874 CG GLU A 52 -15.890 -1.407 3.498 1.00 32.33 C ATOM 875 CD GLU A 52 -15.023 -1.891 2.323 1.00 20.44 C ATOM 876 OE1 GLU A 52 -13.959 -2.489 2.573 1.00 54.14 O ATOM 877 OE2 GLU A 52 -15.405 -1.670 1.148 1.00 44.22 O ATOM 0 H GLU A 52 -16.746 0.214 1.992 1.00 44.53 H new ATOM 0 HA GLU A 52 -15.386 2.063 3.798 1.00 21.12 H new ATOM 0 HB2 GLU A 52 -14.441 -0.251 4.601 1.00 70.25 H new ATOM 0 HB3 GLU A 52 -16.105 0.172 4.951 1.00 70.25 H new ATOM 0 HG2 GLU A 52 -15.908 -2.183 4.263 1.00 32.33 H new ATOM 0 HG3 GLU A 52 -16.915 -1.280 3.149 1.00 32.33 H new ATOM 884 N LYS A 53 -12.862 1.040 3.295 1.00 24.51 N ATOM 885 CA LYS A 53 -11.463 1.282 2.915 1.00 51.24 C ATOM 886 C LYS A 53 -10.792 -0.020 2.419 1.00 1.45 C ATOM 887 O LYS A 53 -10.917 -1.074 3.044 1.00 34.41 O ATOM 888 CB LYS A 53 -10.684 1.929 4.112 1.00 41.12 C ATOM 889 CG LYS A 53 -10.330 1.039 5.336 1.00 33.43 C ATOM 890 CD LYS A 53 -11.541 0.521 6.139 1.00 51.24 C ATOM 891 CE LYS A 53 -12.441 1.635 6.691 1.00 60.35 C ATOM 892 NZ LYS A 53 -11.752 2.465 7.708 1.00 15.23 N ATOM 0 H LYS A 53 -12.961 0.670 4.241 1.00 24.51 H new ATOM 0 HA LYS A 53 -11.438 1.986 2.083 1.00 51.24 H new ATOM 0 HB2 LYS A 53 -9.753 2.337 3.719 1.00 41.12 H new ATOM 0 HB3 LYS A 53 -11.274 2.771 4.474 1.00 41.12 H new ATOM 0 HG2 LYS A 53 -9.751 0.183 4.988 1.00 33.43 H new ATOM 0 HG3 LYS A 53 -9.686 1.609 6.006 1.00 33.43 H new ATOM 0 HD2 LYS A 53 -12.136 -0.131 5.500 1.00 51.24 H new ATOM 0 HD3 LYS A 53 -11.181 -0.087 6.969 1.00 51.24 H new ATOM 0 HE2 LYS A 53 -12.772 2.271 5.870 1.00 60.35 H new ATOM 0 HE3 LYS A 53 -13.334 1.192 7.132 1.00 60.35 H new ATOM 0 HZ1 LYS A 53 -12.243 3.377 7.803 1.00 15.23 H new ATOM 0 HZ2 LYS A 53 -11.760 1.970 8.623 1.00 15.23 H new ATOM 0 HZ3 LYS A 53 -10.769 2.631 7.412 1.00 15.23 H new ATOM 906 N ILE A 54 -10.069 0.074 1.289 1.00 63.20 N ATOM 907 CA ILE A 54 -9.497 -1.102 0.588 1.00 4.41 C ATOM 908 C ILE A 54 -7.971 -1.129 0.812 1.00 33.32 C ATOM 909 O ILE A 54 -7.317 -0.080 0.841 1.00 15.34 O ATOM 910 CB ILE A 54 -9.812 -1.104 -0.979 1.00 74.20 C ATOM 911 CG1 ILE A 54 -11.357 -1.096 -1.274 1.00 54.35 C ATOM 912 CG2 ILE A 54 -9.144 -2.313 -1.700 1.00 51.32 C ATOM 913 CD1 ILE A 54 -12.055 0.237 -1.058 1.00 75.52 C ATOM 0 H ILE A 54 -9.862 0.962 0.833 1.00 63.20 H new ATOM 0 HA ILE A 54 -9.965 -1.993 1.006 1.00 4.41 H new ATOM 0 HB ILE A 54 -9.385 -0.182 -1.374 1.00 74.20 H new ATOM 0 HG12 ILE A 54 -11.514 -1.406 -2.307 1.00 54.35 H new ATOM 0 HG13 ILE A 54 -11.835 -1.844 -0.641 1.00 54.35 H new ATOM 0 HG21 ILE A 54 -9.382 -2.279 -2.763 1.00 51.32 H new ATOM 0 HG22 ILE A 54 -8.063 -2.264 -1.568 1.00 51.32 H new ATOM 0 HG23 ILE A 54 -9.519 -3.243 -1.274 1.00 51.32 H new ATOM 0 HD11 ILE A 54 -13.115 0.134 -1.289 1.00 75.52 H new ATOM 0 HD12 ILE A 54 -11.938 0.545 -0.019 1.00 75.52 H new ATOM 0 HD13 ILE A 54 -11.613 0.989 -1.711 1.00 75.52 H new ATOM 925 N LEU A 55 -7.422 -2.340 0.990 1.00 11.43 N ATOM 926 CA LEU A 55 -5.981 -2.559 1.093 1.00 24.03 C ATOM 927 C LEU A 55 -5.420 -2.831 -0.309 1.00 64.41 C ATOM 928 O LEU A 55 -5.844 -3.779 -0.972 1.00 23.13 O ATOM 929 CB LEU A 55 -5.687 -3.731 2.064 1.00 42.14 C ATOM 930 CG LEU A 55 -4.157 -4.065 2.299 1.00 2.35 C ATOM 931 CD1 LEU A 55 -3.823 -4.196 3.801 1.00 64.21 C ATOM 932 CD2 LEU A 55 -3.716 -5.329 1.515 1.00 0.22 C ATOM 0 H LEU A 55 -7.972 -3.195 1.066 1.00 11.43 H new ATOM 0 HA LEU A 55 -5.493 -1.672 1.498 1.00 24.03 H new ATOM 0 HB2 LEU A 55 -6.141 -3.502 3.028 1.00 42.14 H new ATOM 0 HB3 LEU A 55 -6.180 -4.625 1.684 1.00 42.14 H new ATOM 0 HG LEU A 55 -3.587 -3.222 1.909 1.00 2.35 H new ATOM 0 HD11 LEU A 55 -2.764 -4.425 3.920 1.00 64.21 H new ATOM 0 HD12 LEU A 55 -4.050 -3.258 4.307 1.00 64.21 H new ATOM 0 HD13 LEU A 55 -4.419 -4.997 4.238 1.00 64.21 H new ATOM 0 HD21 LEU A 55 -2.660 -5.524 1.703 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -4.307 -6.185 1.842 1.00 0.22 H new ATOM 0 HD23 LEU A 55 -3.871 -5.168 0.448 1.00 0.22 H new ATOM 944 N ILE A 56 -4.506 -1.971 -0.768 1.00 4.34 N ATOM 945 CA ILE A 56 -3.865 -2.096 -2.086 1.00 64.25 C ATOM 946 C ILE A 56 -2.491 -2.767 -1.910 1.00 33.34 C ATOM 947 O ILE A 56 -1.779 -2.474 -0.957 1.00 5.21 O ATOM 948 CB ILE A 56 -3.666 -0.681 -2.779 1.00 12.33 C ATOM 949 CG1 ILE A 56 -4.963 0.194 -2.693 1.00 35.41 C ATOM 950 CG2 ILE A 56 -3.207 -0.840 -4.255 1.00 2.42 C ATOM 951 CD1 ILE A 56 -6.191 -0.398 -3.359 1.00 12.11 C ATOM 0 H ILE A 56 -4.186 -1.163 -0.234 1.00 4.34 H new ATOM 0 HA ILE A 56 -4.513 -2.697 -2.725 1.00 64.25 H new ATOM 0 HB ILE A 56 -2.880 -0.161 -2.231 1.00 12.33 H new ATOM 0 HG12 ILE A 56 -5.191 0.374 -1.642 1.00 35.41 H new ATOM 0 HG13 ILE A 56 -4.757 1.164 -3.145 1.00 35.41 H new ATOM 0 HG21 ILE A 56 -3.079 0.145 -4.704 1.00 2.42 H new ATOM 0 HG22 ILE A 56 -2.260 -1.379 -4.286 1.00 2.42 H new ATOM 0 HG23 ILE A 56 -3.960 -1.398 -4.812 1.00 2.42 H new ATOM 0 HD11 ILE A 56 -7.033 0.285 -3.243 1.00 12.11 H new ATOM 0 HD12 ILE A 56 -5.992 -0.551 -4.420 1.00 12.11 H new ATOM 0 HD13 ILE A 56 -6.432 -1.354 -2.894 1.00 12.11 H new ATOM 963 N ILE A 57 -2.147 -3.710 -2.796 1.00 4.55 N ATOM 964 CA ILE A 57 -0.781 -4.255 -2.917 1.00 51.41 C ATOM 965 C ILE A 57 -0.262 -3.913 -4.325 1.00 0.34 C ATOM 966 O ILE A 57 -1.026 -3.929 -5.293 1.00 52.03 O ATOM 967 CB ILE A 57 -0.722 -5.821 -2.671 1.00 64.43 C ATOM 968 CG1 ILE A 57 -1.246 -6.173 -1.236 1.00 24.22 C ATOM 969 CG2 ILE A 57 0.713 -6.380 -2.900 1.00 52.14 C ATOM 970 CD1 ILE A 57 -1.189 -7.652 -0.866 1.00 31.35 C ATOM 0 H ILE A 57 -2.809 -4.121 -3.454 1.00 4.55 H new ATOM 0 HA ILE A 57 -0.154 -3.805 -2.147 1.00 51.41 H new ATOM 0 HB ILE A 57 -1.376 -6.301 -3.400 1.00 64.43 H new ATOM 0 HG12 ILE A 57 -0.664 -5.610 -0.506 1.00 24.22 H new ATOM 0 HG13 ILE A 57 -2.278 -5.833 -1.151 1.00 24.22 H new ATOM 0 HG21 ILE A 57 0.717 -7.456 -2.723 1.00 52.14 H new ATOM 0 HG22 ILE A 57 1.022 -6.180 -3.926 1.00 52.14 H new ATOM 0 HG23 ILE A 57 1.406 -5.896 -2.212 1.00 52.14 H new ATOM 0 HD11 ILE A 57 -1.573 -7.789 0.145 1.00 31.35 H new ATOM 0 HD12 ILE A 57 -1.796 -8.226 -1.566 1.00 31.35 H new ATOM 0 HD13 ILE A 57 -0.157 -7.999 -0.912 1.00 31.35 H new ATOM 982 N SER A 58 1.023 -3.558 -4.410 1.00 71.21 N ATOM 983 CA SER A 58 1.736 -3.311 -5.668 1.00 15.31 C ATOM 984 C SER A 58 3.126 -3.953 -5.593 1.00 60.13 C ATOM 985 O SER A 58 3.699 -4.100 -4.507 1.00 41.02 O ATOM 986 CB SER A 58 1.850 -1.796 -5.928 1.00 5.45 C ATOM 987 OG SER A 58 2.609 -1.519 -7.092 1.00 35.05 O ATOM 0 H SER A 58 1.611 -3.431 -3.586 1.00 71.21 H new ATOM 0 HA SER A 58 1.182 -3.755 -6.495 1.00 15.31 H new ATOM 0 HB2 SER A 58 0.853 -1.369 -6.034 1.00 5.45 H new ATOM 0 HB3 SER A 58 2.314 -1.313 -5.068 1.00 5.45 H new ATOM 0 HG SER A 58 3.436 -1.057 -6.841 1.00 35.05 H new ATOM 993 N ASN A 59 3.659 -4.326 -6.760 1.00 44.33 N ATOM 994 CA ASN A 59 4.978 -4.987 -6.879 1.00 13.10 C ATOM 995 C ASN A 59 6.082 -3.959 -7.178 1.00 74.53 C ATOM 996 O ASN A 59 7.271 -4.249 -7.013 1.00 63.01 O ATOM 997 CB ASN A 59 4.939 -6.046 -8.010 1.00 23.04 C ATOM 998 CG ASN A 59 3.790 -7.053 -7.875 1.00 24.05 C ATOM 999 OD1 ASN A 59 3.353 -7.398 -6.773 1.00 53.23 O ATOM 1000 ND2 ASN A 59 3.296 -7.538 -9.002 1.00 2.02 N ATOM 0 H ASN A 59 3.193 -4.181 -7.656 1.00 44.33 H new ATOM 0 HA ASN A 59 5.201 -5.473 -5.929 1.00 13.10 H new ATOM 0 HB2 ASN A 59 4.852 -5.536 -8.970 1.00 23.04 H new ATOM 0 HB3 ASN A 59 5.885 -6.587 -8.021 1.00 23.04 H new ATOM 0 HD21 ASN A 59 2.534 -8.215 -8.975 1.00 2.02 H new ATOM 0 HD22 ASN A 59 3.677 -7.235 -9.898 1.00 2.02 H new ATOM 1007 N ASP A 60 5.674 -2.750 -7.593 1.00 64.45 N ATOM 1008 CA ASP A 60 6.592 -1.718 -8.112 1.00 70.42 C ATOM 1009 C ASP A 60 6.353 -0.366 -7.406 1.00 11.04 C ATOM 1010 O ASP A 60 5.208 -0.008 -7.092 1.00 1.22 O ATOM 1011 CB ASP A 60 6.398 -1.607 -9.649 1.00 41.02 C ATOM 1012 CG ASP A 60 7.220 -0.485 -10.309 1.00 53.33 C ATOM 1013 OD1 ASP A 60 8.396 -0.714 -10.635 1.00 4.05 O ATOM 1014 OD2 ASP A 60 6.692 0.626 -10.505 1.00 24.45 O ATOM 0 H ASP A 60 4.697 -2.457 -7.579 1.00 64.45 H new ATOM 0 HA ASP A 60 7.624 -2.002 -7.905 1.00 70.42 H new ATOM 0 HB2 ASP A 60 6.668 -2.558 -10.108 1.00 41.02 H new ATOM 0 HB3 ASP A 60 5.342 -1.440 -9.860 1.00 41.02 H new ATOM 1019 N LYS A 61 7.455 0.371 -7.179 1.00 52.03 N ATOM 1020 CA LYS A 61 7.466 1.642 -6.421 1.00 53.43 C ATOM 1021 C LYS A 61 6.947 2.834 -7.240 1.00 73.41 C ATOM 1022 O LYS A 61 6.354 3.759 -6.678 1.00 43.52 O ATOM 1023 CB LYS A 61 8.894 1.926 -5.880 1.00 72.34 C ATOM 1024 CG LYS A 61 9.329 0.930 -4.786 1.00 51.02 C ATOM 1025 CD LYS A 61 10.776 1.133 -4.294 1.00 2.25 C ATOM 1026 CE LYS A 61 11.117 0.195 -3.117 1.00 30.43 C ATOM 1027 NZ LYS A 61 10.908 -1.243 -3.456 1.00 52.13 N ATOM 0 H LYS A 61 8.377 0.100 -7.520 1.00 52.03 H new ATOM 0 HA LYS A 61 6.777 1.522 -5.585 1.00 53.43 H new ATOM 0 HB2 LYS A 61 9.605 1.885 -6.705 1.00 72.34 H new ATOM 0 HB3 LYS A 61 8.930 2.939 -5.478 1.00 72.34 H new ATOM 0 HG2 LYS A 61 8.651 1.020 -3.937 1.00 51.02 H new ATOM 0 HG3 LYS A 61 9.226 -0.085 -5.171 1.00 51.02 H new ATOM 0 HD2 LYS A 61 11.468 0.952 -5.116 1.00 2.25 H new ATOM 0 HD3 LYS A 61 10.913 2.169 -3.985 1.00 2.25 H new ATOM 0 HE2 LYS A 61 12.155 0.349 -2.823 1.00 30.43 H new ATOM 0 HE3 LYS A 61 10.500 0.456 -2.257 1.00 30.43 H new ATOM 0 HZ1 LYS A 61 11.292 -1.838 -2.695 1.00 52.13 H new ATOM 0 HZ2 LYS A 61 9.891 -1.430 -3.563 1.00 52.13 H new ATOM 0 HZ3 LYS A 61 11.396 -1.464 -4.347 1.00 52.13 H new ATOM 1041 N GLN A 62 7.170 2.819 -8.562 1.00 70.43 N ATOM 1042 CA GLN A 62 6.667 3.884 -9.457 1.00 40.21 C ATOM 1043 C GLN A 62 5.138 3.761 -9.636 1.00 54.10 C ATOM 1044 O GLN A 62 4.476 4.745 -9.967 1.00 50.12 O ATOM 1045 CB GLN A 62 7.404 3.865 -10.825 1.00 63.14 C ATOM 1046 CG GLN A 62 8.934 4.085 -10.731 1.00 52.35 C ATOM 1047 CD GLN A 62 9.340 5.423 -10.089 1.00 5.43 C ATOM 1048 OE1 GLN A 62 8.627 6.425 -10.181 1.00 14.42 O ATOM 1049 NE2 GLN A 62 10.499 5.458 -9.443 1.00 33.33 N ATOM 0 H GLN A 62 7.694 2.085 -9.039 1.00 70.43 H new ATOM 0 HA GLN A 62 6.876 4.848 -8.993 1.00 40.21 H new ATOM 0 HB2 GLN A 62 7.216 2.908 -11.312 1.00 63.14 H new ATOM 0 HB3 GLN A 62 6.977 4.637 -11.465 1.00 63.14 H new ATOM 0 HG2 GLN A 62 9.372 3.270 -10.154 1.00 52.35 H new ATOM 0 HG3 GLN A 62 9.360 4.031 -11.733 1.00 52.35 H new ATOM 0 HE21 GLN A 62 11.073 4.617 -9.379 1.00 33.33 H new ATOM 0 HE22 GLN A 62 10.816 6.326 -9.010 1.00 33.33 H new ATOM 1058 N LEU A 63 4.588 2.544 -9.387 1.00 11.41 N ATOM 1059 CA LEU A 63 3.130 2.319 -9.322 1.00 24.55 C ATOM 1060 C LEU A 63 2.557 2.983 -8.056 1.00 40.33 C ATOM 1061 O LEU A 63 1.507 3.650 -8.113 1.00 23.12 O ATOM 1062 CB LEU A 63 2.782 0.802 -9.316 1.00 42.42 C ATOM 1063 CG LEU A 63 3.219 -0.032 -10.556 1.00 11.33 C ATOM 1064 CD1 LEU A 63 2.726 -1.493 -10.453 1.00 41.52 C ATOM 1065 CD2 LEU A 63 2.771 0.617 -11.872 1.00 70.34 C ATOM 0 H LEU A 63 5.141 1.702 -9.228 1.00 11.41 H new ATOM 0 HA LEU A 63 2.684 2.764 -10.212 1.00 24.55 H new ATOM 0 HB2 LEU A 63 3.235 0.355 -8.431 1.00 42.42 H new ATOM 0 HB3 LEU A 63 1.702 0.703 -9.206 1.00 42.42 H new ATOM 0 HG LEU A 63 4.309 -0.048 -10.562 1.00 11.33 H new ATOM 0 HD11 LEU A 63 3.048 -2.048 -11.334 1.00 41.52 H new ATOM 0 HD12 LEU A 63 3.144 -1.956 -9.559 1.00 41.52 H new ATOM 0 HD13 LEU A 63 1.638 -1.506 -10.393 1.00 41.52 H new ATOM 0 HD21 LEU A 63 3.097 0.002 -12.711 1.00 70.34 H new ATOM 0 HD22 LEU A 63 1.684 0.701 -11.885 1.00 70.34 H new ATOM 0 HD23 LEU A 63 3.213 1.610 -11.957 1.00 70.34 H new ATOM 1077 N LEU A 64 3.279 2.785 -6.911 1.00 45.12 N ATOM 1078 CA LEU A 64 2.932 3.394 -5.609 1.00 11.15 C ATOM 1079 C LEU A 64 2.822 4.904 -5.769 1.00 12.31 C ATOM 1080 O LEU A 64 1.808 5.484 -5.425 1.00 43.50 O ATOM 1081 CB LEU A 64 4.008 3.119 -4.525 1.00 52.11 C ATOM 1082 CG LEU A 64 4.355 1.643 -4.214 1.00 64.11 C ATOM 1083 CD1 LEU A 64 5.547 1.587 -3.235 1.00 60.32 C ATOM 1084 CD2 LEU A 64 3.128 0.875 -3.675 1.00 30.10 C ATOM 0 H LEU A 64 4.113 2.199 -6.876 1.00 45.12 H new ATOM 0 HA LEU A 64 1.988 2.950 -5.292 1.00 11.15 H new ATOM 0 HB2 LEU A 64 4.926 3.623 -4.828 1.00 52.11 H new ATOM 0 HB3 LEU A 64 3.678 3.588 -3.598 1.00 52.11 H new ATOM 0 HG LEU A 64 4.646 1.146 -5.139 1.00 64.11 H new ATOM 0 HD11 LEU A 64 5.790 0.547 -3.017 1.00 60.32 H new ATOM 0 HD12 LEU A 64 6.411 2.075 -3.686 1.00 60.32 H new ATOM 0 HD13 LEU A 64 5.283 2.099 -2.310 1.00 60.32 H new ATOM 0 HD21 LEU A 64 3.408 -0.158 -3.467 1.00 30.10 H new ATOM 0 HD22 LEU A 64 2.777 1.348 -2.757 1.00 30.10 H new ATOM 0 HD23 LEU A 64 2.332 0.893 -4.419 1.00 30.10 H new ATOM 1096 N LYS A 65 3.883 5.482 -6.367 1.00 13.13 N ATOM 1097 CA LYS A 65 4.085 6.927 -6.503 1.00 72.12 C ATOM 1098 C LYS A 65 2.860 7.610 -7.134 1.00 42.24 C ATOM 1099 O LYS A 65 2.346 8.583 -6.576 1.00 61.11 O ATOM 1100 CB LYS A 65 5.374 7.179 -7.340 1.00 31.33 C ATOM 1101 CG LYS A 65 5.721 8.663 -7.614 1.00 13.31 C ATOM 1102 CD LYS A 65 5.806 9.516 -6.329 1.00 43.25 C ATOM 1103 CE LYS A 65 6.295 10.945 -6.605 1.00 34.15 C ATOM 1104 NZ LYS A 65 5.533 11.615 -7.700 1.00 71.23 N ATOM 0 H LYS A 65 4.640 4.936 -6.778 1.00 13.13 H new ATOM 0 HA LYS A 65 4.209 7.367 -5.513 1.00 72.12 H new ATOM 0 HB2 LYS A 65 6.216 6.718 -6.823 1.00 31.33 H new ATOM 0 HB3 LYS A 65 5.269 6.668 -8.297 1.00 31.33 H new ATOM 0 HG2 LYS A 65 6.674 8.715 -8.141 1.00 13.31 H new ATOM 0 HG3 LYS A 65 4.967 9.089 -8.276 1.00 13.31 H new ATOM 0 HD2 LYS A 65 4.824 9.556 -5.857 1.00 43.25 H new ATOM 0 HD3 LYS A 65 6.481 9.035 -5.621 1.00 43.25 H new ATOM 0 HE2 LYS A 65 6.208 11.536 -5.693 1.00 34.15 H new ATOM 0 HE3 LYS A 65 7.352 10.918 -6.868 1.00 34.15 H new ATOM 0 HZ1 LYS A 65 5.540 12.644 -7.548 1.00 71.23 H new ATOM 0 HZ2 LYS A 65 5.976 11.397 -8.615 1.00 71.23 H new ATOM 0 HZ3 LYS A 65 4.551 11.272 -7.700 1.00 71.23 H new ATOM 1118 N GLU A 66 2.379 7.056 -8.261 1.00 22.34 N ATOM 1119 CA GLU A 66 1.201 7.585 -8.971 1.00 13.00 C ATOM 1120 C GLU A 66 -0.081 7.417 -8.127 1.00 4.23 C ATOM 1121 O GLU A 66 -0.905 8.335 -8.063 1.00 50.25 O ATOM 1122 CB GLU A 66 1.038 6.889 -10.347 1.00 65.21 C ATOM 1123 CG GLU A 66 2.328 6.818 -11.195 1.00 44.12 C ATOM 1124 CD GLU A 66 3.003 8.183 -11.470 1.00 31.35 C ATOM 1125 OE1 GLU A 66 3.860 8.620 -10.664 1.00 52.33 O ATOM 1126 OE2 GLU A 66 2.697 8.811 -12.509 1.00 45.41 O ATOM 0 H GLU A 66 2.792 6.235 -8.703 1.00 22.34 H new ATOM 0 HA GLU A 66 1.359 8.651 -9.135 1.00 13.00 H new ATOM 0 HB2 GLU A 66 0.671 5.876 -10.184 1.00 65.21 H new ATOM 0 HB3 GLU A 66 0.274 7.417 -10.917 1.00 65.21 H new ATOM 0 HG2 GLU A 66 3.044 6.171 -10.688 1.00 44.12 H new ATOM 0 HG3 GLU A 66 2.093 6.347 -12.149 1.00 44.12 H new ATOM 1133 N MET A 67 -0.226 6.247 -7.461 1.00 15.13 N ATOM 1134 CA MET A 67 -1.416 5.945 -6.637 1.00 31.53 C ATOM 1135 C MET A 67 -1.550 6.911 -5.449 1.00 10.34 C ATOM 1136 O MET A 67 -2.630 7.435 -5.236 1.00 60.31 O ATOM 1137 CB MET A 67 -1.415 4.471 -6.151 1.00 43.34 C ATOM 1138 CG MET A 67 -1.849 3.453 -7.206 1.00 3.13 C ATOM 1139 SD MET A 67 -2.005 1.766 -6.567 1.00 72.02 S ATOM 1140 CE MET A 67 -0.297 1.252 -6.423 1.00 52.21 C ATOM 0 H MET A 67 0.467 5.499 -7.480 1.00 15.13 H new ATOM 0 HA MET A 67 -2.286 6.087 -7.278 1.00 31.53 H new ATOM 0 HB2 MET A 67 -0.412 4.215 -5.809 1.00 43.34 H new ATOM 0 HB3 MET A 67 -2.077 4.386 -5.289 1.00 43.34 H new ATOM 0 HG2 MET A 67 -2.806 3.763 -7.626 1.00 3.13 H new ATOM 0 HG3 MET A 67 -1.126 3.458 -8.022 1.00 3.13 H new ATOM 0 HE1 MET A 67 -0.150 0.740 -5.472 1.00 52.21 H new ATOM 0 HE2 MET A 67 -0.050 0.575 -7.241 1.00 52.21 H new ATOM 0 HE3 MET A 67 0.351 2.127 -6.468 1.00 52.21 H new ATOM 1150 N LEU A 68 -0.436 7.169 -4.718 1.00 41.21 N ATOM 1151 CA LEU A 68 -0.407 8.083 -3.540 1.00 21.41 C ATOM 1152 C LEU A 68 -1.004 9.462 -3.889 1.00 34.44 C ATOM 1153 O LEU A 68 -1.705 10.077 -3.079 1.00 11.41 O ATOM 1154 CB LEU A 68 1.048 8.272 -3.026 1.00 20.01 C ATOM 1155 CG LEU A 68 1.836 6.974 -2.664 1.00 3.43 C ATOM 1156 CD1 LEU A 68 3.285 7.298 -2.286 1.00 71.32 C ATOM 1157 CD2 LEU A 68 1.144 6.157 -1.556 1.00 12.33 C ATOM 0 H LEU A 68 0.470 6.750 -4.926 1.00 41.21 H new ATOM 0 HA LEU A 68 -1.011 7.624 -2.758 1.00 21.41 H new ATOM 0 HB2 LEU A 68 1.611 8.811 -3.788 1.00 20.01 H new ATOM 0 HB3 LEU A 68 1.017 8.909 -2.142 1.00 20.01 H new ATOM 0 HG LEU A 68 1.846 6.350 -3.558 1.00 3.43 H new ATOM 0 HD11 LEU A 68 3.811 6.376 -2.038 1.00 71.32 H new ATOM 0 HD12 LEU A 68 3.780 7.784 -3.127 1.00 71.32 H new ATOM 0 HD13 LEU A 68 3.296 7.965 -1.424 1.00 71.32 H new ATOM 0 HD21 LEU A 68 1.732 5.265 -1.341 1.00 12.33 H new ATOM 0 HD22 LEU A 68 1.062 6.763 -0.654 1.00 12.33 H new ATOM 0 HD23 LEU A 68 0.148 5.864 -1.888 1.00 12.33 H new ATOM 1169 N GLU A 69 -0.720 9.902 -5.130 1.00 43.11 N ATOM 1170 CA GLU A 69 -1.167 11.192 -5.671 1.00 72.41 C ATOM 1171 C GLU A 69 -2.660 11.146 -6.052 1.00 33.35 C ATOM 1172 O GLU A 69 -3.386 12.118 -5.825 1.00 60.51 O ATOM 1173 CB GLU A 69 -0.299 11.566 -6.894 1.00 22.11 C ATOM 1174 CG GLU A 69 1.213 11.587 -6.597 1.00 41.41 C ATOM 1175 CD GLU A 69 2.055 12.062 -7.785 1.00 32.35 C ATOM 1176 OE1 GLU A 69 2.033 13.279 -8.081 1.00 14.15 O ATOM 1177 OE2 GLU A 69 2.752 11.235 -8.415 1.00 75.35 O ATOM 0 H GLU A 69 -0.165 9.360 -5.792 1.00 43.11 H new ATOM 0 HA GLU A 69 -1.049 11.956 -4.903 1.00 72.41 H new ATOM 0 HB2 GLU A 69 -0.493 10.855 -7.697 1.00 22.11 H new ATOM 0 HB3 GLU A 69 -0.603 12.548 -7.257 1.00 22.11 H new ATOM 0 HG2 GLU A 69 1.400 12.239 -5.744 1.00 41.41 H new ATOM 0 HG3 GLU A 69 1.534 10.586 -6.310 1.00 41.41 H new ATOM 1184 N LEU A 70 -3.101 9.993 -6.616 1.00 52.25 N ATOM 1185 CA LEU A 70 -4.519 9.749 -6.980 1.00 13.53 C ATOM 1186 C LEU A 70 -5.417 9.794 -5.728 1.00 24.11 C ATOM 1187 O LEU A 70 -6.380 10.545 -5.687 1.00 14.53 O ATOM 1188 CB LEU A 70 -4.679 8.387 -7.723 1.00 74.12 C ATOM 1189 CG LEU A 70 -4.048 8.317 -9.149 1.00 30.53 C ATOM 1190 CD1 LEU A 70 -4.165 6.899 -9.745 1.00 72.54 C ATOM 1191 CD2 LEU A 70 -4.675 9.375 -10.082 1.00 3.14 C ATOM 0 H LEU A 70 -2.485 9.209 -6.830 1.00 52.25 H new ATOM 0 HA LEU A 70 -4.834 10.542 -7.658 1.00 13.53 H new ATOM 0 HB2 LEU A 70 -4.233 7.604 -7.109 1.00 74.12 H new ATOM 0 HB3 LEU A 70 -5.742 8.161 -7.804 1.00 74.12 H new ATOM 0 HG LEU A 70 -2.986 8.544 -9.056 1.00 30.53 H new ATOM 0 HD11 LEU A 70 -3.716 6.884 -10.738 1.00 72.54 H new ATOM 0 HD12 LEU A 70 -3.645 6.190 -9.101 1.00 72.54 H new ATOM 0 HD13 LEU A 70 -5.216 6.620 -9.817 1.00 72.54 H new ATOM 0 HD21 LEU A 70 -4.218 9.306 -11.069 1.00 3.14 H new ATOM 0 HD22 LEU A 70 -5.747 9.197 -10.165 1.00 3.14 H new ATOM 0 HD23 LEU A 70 -4.503 10.370 -9.672 1.00 3.14 H new ATOM 1203 N ILE A 71 -5.033 9.015 -4.707 1.00 75.23 N ATOM 1204 CA ILE A 71 -5.721 8.939 -3.395 1.00 31.51 C ATOM 1205 C ILE A 71 -5.843 10.344 -2.759 1.00 30.23 C ATOM 1206 O ILE A 71 -6.901 10.724 -2.239 1.00 63.50 O ATOM 1207 CB ILE A 71 -4.911 7.988 -2.426 1.00 31.14 C ATOM 1208 CG1 ILE A 71 -4.660 6.602 -3.085 1.00 72.24 C ATOM 1209 CG2 ILE A 71 -5.613 7.804 -1.064 1.00 3.25 C ATOM 1210 CD1 ILE A 71 -3.541 5.802 -2.444 1.00 5.44 C ATOM 0 H ILE A 71 -4.218 8.404 -4.764 1.00 75.23 H new ATOM 0 HA ILE A 71 -6.723 8.539 -3.551 1.00 31.51 H new ATOM 0 HB ILE A 71 -3.953 8.474 -2.243 1.00 31.14 H new ATOM 0 HG12 ILE A 71 -5.580 6.019 -3.040 1.00 72.24 H new ATOM 0 HG13 ILE A 71 -4.427 6.750 -4.140 1.00 72.24 H new ATOM 0 HG21 ILE A 71 -5.018 7.143 -0.434 1.00 3.25 H new ATOM 0 HG22 ILE A 71 -5.719 8.773 -0.575 1.00 3.25 H new ATOM 0 HG23 ILE A 71 -6.599 7.366 -1.219 1.00 3.25 H new ATOM 0 HD11 ILE A 71 -3.431 4.850 -2.963 1.00 5.44 H new ATOM 0 HD12 ILE A 71 -2.608 6.362 -2.512 1.00 5.44 H new ATOM 0 HD13 ILE A 71 -3.779 5.619 -1.396 1.00 5.44 H new ATOM 1222 N SER A 72 -4.749 11.114 -2.878 1.00 64.41 N ATOM 1223 CA SER A 72 -4.634 12.466 -2.318 1.00 44.45 C ATOM 1224 C SER A 72 -5.627 13.434 -2.995 1.00 2.31 C ATOM 1225 O SER A 72 -6.307 14.212 -2.312 1.00 25.53 O ATOM 1226 CB SER A 72 -3.185 12.969 -2.482 1.00 60.25 C ATOM 1227 OG SER A 72 -2.972 14.214 -1.844 1.00 52.54 O ATOM 0 H SER A 72 -3.911 10.809 -3.372 1.00 64.41 H new ATOM 0 HA SER A 72 -4.883 12.429 -1.257 1.00 44.45 H new ATOM 0 HB2 SER A 72 -2.498 12.230 -2.070 1.00 60.25 H new ATOM 0 HB3 SER A 72 -2.953 13.063 -3.543 1.00 60.25 H new ATOM 0 HG SER A 72 -2.021 14.446 -1.888 1.00 52.54 H new ATOM 1233 N LYS A 73 -5.734 13.358 -4.346 1.00 45.22 N ATOM 1234 CA LYS A 73 -6.636 14.235 -5.126 1.00 14.31 C ATOM 1235 C LYS A 73 -8.101 13.744 -5.064 1.00 15.01 C ATOM 1236 O LYS A 73 -9.019 14.491 -5.417 1.00 21.30 O ATOM 1237 CB LYS A 73 -6.113 14.439 -6.592 1.00 34.25 C ATOM 1238 CG LYS A 73 -5.955 13.181 -7.495 1.00 41.31 C ATOM 1239 CD LYS A 73 -7.281 12.626 -8.084 1.00 44.14 C ATOM 1240 CE LYS A 73 -8.015 13.647 -8.968 1.00 50.45 C ATOM 1241 NZ LYS A 73 -9.321 13.127 -9.448 1.00 3.35 N ATOM 0 H LYS A 73 -5.205 12.697 -4.915 1.00 45.22 H new ATOM 0 HA LYS A 73 -6.630 15.221 -4.662 1.00 14.31 H new ATOM 0 HB2 LYS A 73 -6.791 15.128 -7.095 1.00 34.25 H new ATOM 0 HB3 LYS A 73 -5.143 14.932 -6.534 1.00 34.25 H new ATOM 0 HG2 LYS A 73 -5.283 13.425 -8.318 1.00 41.31 H new ATOM 0 HG3 LYS A 73 -5.475 12.393 -6.914 1.00 41.31 H new ATOM 0 HD2 LYS A 73 -7.067 11.733 -8.670 1.00 44.14 H new ATOM 0 HD3 LYS A 73 -7.936 12.322 -7.268 1.00 44.14 H new ATOM 0 HE2 LYS A 73 -8.175 14.566 -8.404 1.00 50.45 H new ATOM 0 HE3 LYS A 73 -7.390 13.903 -9.823 1.00 50.45 H new ATOM 0 HZ1 LYS A 73 -9.784 13.845 -10.040 1.00 3.35 H new ATOM 0 HZ2 LYS A 73 -9.167 12.264 -10.007 1.00 3.35 H new ATOM 0 HZ3 LYS A 73 -9.928 12.907 -8.633 1.00 3.35 H new ATOM 1255 N LEU A 74 -8.308 12.479 -4.647 1.00 15.02 N ATOM 1256 CA LEU A 74 -9.653 11.952 -4.315 1.00 15.33 C ATOM 1257 C LEU A 74 -10.108 12.518 -2.956 1.00 62.54 C ATOM 1258 O LEU A 74 -11.302 12.713 -2.722 1.00 14.14 O ATOM 1259 CB LEU A 74 -9.652 10.391 -4.274 1.00 50.34 C ATOM 1260 CG LEU A 74 -9.358 9.662 -5.623 1.00 3.34 C ATOM 1261 CD1 LEU A 74 -9.312 8.126 -5.445 1.00 53.33 C ATOM 1262 CD2 LEU A 74 -10.364 10.079 -6.711 1.00 24.44 C ATOM 0 H LEU A 74 -7.558 11.798 -4.531 1.00 15.02 H new ATOM 0 HA LEU A 74 -10.349 12.266 -5.092 1.00 15.33 H new ATOM 0 HB2 LEU A 74 -8.911 10.069 -3.543 1.00 50.34 H new ATOM 0 HB3 LEU A 74 -10.624 10.058 -3.910 1.00 50.34 H new ATOM 0 HG LEU A 74 -8.368 9.973 -5.955 1.00 3.34 H new ATOM 0 HD11 LEU A 74 -9.105 7.654 -6.406 1.00 53.33 H new ATOM 0 HD12 LEU A 74 -8.526 7.865 -4.736 1.00 53.33 H new ATOM 0 HD13 LEU A 74 -10.272 7.775 -5.068 1.00 53.33 H new ATOM 0 HD21 LEU A 74 -10.134 9.555 -7.639 1.00 24.44 H new ATOM 0 HD22 LEU A 74 -11.374 9.823 -6.390 1.00 24.44 H new ATOM 0 HD23 LEU A 74 -10.297 11.154 -6.875 1.00 24.44 H new ATOM 1274 N GLY A 75 -9.126 12.770 -2.075 1.00 72.45 N ATOM 1275 CA GLY A 75 -9.377 13.312 -0.735 1.00 1.11 C ATOM 1276 C GLY A 75 -9.436 12.217 0.312 1.00 42.23 C ATOM 1277 O GLY A 75 -10.085 12.374 1.348 1.00 40.54 O ATOM 0 H GLY A 75 -8.139 12.603 -2.273 1.00 72.45 H new ATOM 0 HA2 GLY A 75 -8.590 14.021 -0.476 1.00 1.11 H new ATOM 0 HA3 GLY A 75 -10.316 13.865 -0.736 1.00 1.11 H new ATOM 1281 N TYR A 76 -8.766 11.095 0.014 1.00 52.05 N ATOM 1282 CA TYR A 76 -8.671 9.924 0.898 1.00 3.02 C ATOM 1283 C TYR A 76 -7.337 9.915 1.650 1.00 42.10 C ATOM 1284 O TYR A 76 -6.362 10.534 1.205 1.00 0.13 O ATOM 1285 CB TYR A 76 -8.810 8.629 0.067 1.00 42.45 C ATOM 1286 CG TYR A 76 -10.148 8.434 -0.643 1.00 2.35 C ATOM 1287 CD1 TYR A 76 -11.329 8.993 -0.148 1.00 2.51 C ATOM 1288 CD2 TYR A 76 -10.230 7.667 -1.801 1.00 4.24 C ATOM 1289 CE1 TYR A 76 -12.531 8.791 -0.783 1.00 13.23 C ATOM 1290 CE2 TYR A 76 -11.429 7.467 -2.438 1.00 11.44 C ATOM 1291 CZ TYR A 76 -12.577 8.032 -1.928 1.00 14.05 C ATOM 1292 OH TYR A 76 -13.781 7.830 -2.552 1.00 30.22 O ATOM 0 H TYR A 76 -8.265 10.973 -0.866 1.00 52.05 H new ATOM 0 HA TYR A 76 -9.478 9.978 1.628 1.00 3.02 H new ATOM 0 HB2 TYR A 76 -8.018 8.613 -0.681 1.00 42.45 H new ATOM 0 HB3 TYR A 76 -8.643 7.777 0.726 1.00 42.45 H new ATOM 0 HD1 TYR A 76 -11.297 9.594 0.749 1.00 2.51 H new ATOM 0 HD2 TYR A 76 -9.334 7.221 -2.206 1.00 4.24 H new ATOM 0 HE1 TYR A 76 -13.435 9.227 -0.384 1.00 13.23 H new ATOM 0 HE2 TYR A 76 -11.472 6.869 -3.336 1.00 11.44 H new ATOM 0 HH TYR A 76 -13.680 7.142 -3.242 1.00 30.22 H new ATOM 1302 N LYS A 77 -7.306 9.175 2.773 1.00 50.22 N ATOM 1303 CA LYS A 77 -6.114 9.068 3.626 1.00 4.22 C ATOM 1304 C LYS A 77 -5.061 8.178 2.944 1.00 52.43 C ATOM 1305 O LYS A 77 -5.337 7.019 2.610 1.00 23.13 O ATOM 1306 CB LYS A 77 -6.476 8.487 5.015 1.00 51.11 C ATOM 1307 CG LYS A 77 -5.293 8.476 6.022 1.00 71.22 C ATOM 1308 CD LYS A 77 -5.617 7.787 7.367 1.00 52.34 C ATOM 1309 CE LYS A 77 -6.851 8.375 8.075 1.00 13.42 C ATOM 1310 NZ LYS A 77 -6.749 9.844 8.259 1.00 61.21 N ATOM 0 H LYS A 77 -8.104 8.637 3.112 1.00 50.22 H new ATOM 0 HA LYS A 77 -5.705 10.068 3.770 1.00 4.22 H new ATOM 0 HB2 LYS A 77 -7.295 9.068 5.439 1.00 51.11 H new ATOM 0 HB3 LYS A 77 -6.841 7.468 4.887 1.00 51.11 H new ATOM 0 HG2 LYS A 77 -4.443 7.971 5.563 1.00 71.22 H new ATOM 0 HG3 LYS A 77 -4.986 9.504 6.217 1.00 71.22 H new ATOM 0 HD2 LYS A 77 -5.781 6.724 7.192 1.00 52.34 H new ATOM 0 HD3 LYS A 77 -4.754 7.872 8.027 1.00 52.34 H new ATOM 0 HE2 LYS A 77 -7.744 8.145 7.494 1.00 13.42 H new ATOM 0 HE3 LYS A 77 -6.971 7.897 9.047 1.00 13.42 H new ATOM 0 HZ1 LYS A 77 -7.543 10.177 8.842 1.00 61.21 H new ATOM 0 HZ2 LYS A 77 -5.852 10.073 8.732 1.00 61.21 H new ATOM 0 HZ3 LYS A 77 -6.780 10.313 7.331 1.00 61.21 H new ATOM 1324 N VAL A 78 -3.866 8.742 2.736 1.00 55.32 N ATOM 1325 CA VAL A 78 -2.734 8.036 2.133 1.00 52.21 C ATOM 1326 C VAL A 78 -1.892 7.366 3.232 1.00 14.33 C ATOM 1327 O VAL A 78 -1.401 8.041 4.146 1.00 1.12 O ATOM 1328 CB VAL A 78 -1.831 9.023 1.300 1.00 34.11 C ATOM 1329 CG1 VAL A 78 -0.606 8.299 0.697 1.00 73.53 C ATOM 1330 CG2 VAL A 78 -2.656 9.728 0.196 1.00 15.50 C ATOM 0 H VAL A 78 -3.657 9.709 2.984 1.00 55.32 H new ATOM 0 HA VAL A 78 -3.126 7.276 1.458 1.00 52.21 H new ATOM 0 HB VAL A 78 -1.458 9.785 1.985 1.00 34.11 H new ATOM 0 HG11 VAL A 78 -0.006 9.010 0.129 1.00 73.53 H new ATOM 0 HG12 VAL A 78 -0.003 7.875 1.500 1.00 73.53 H new ATOM 0 HG13 VAL A 78 -0.944 7.501 0.036 1.00 73.53 H new ATOM 0 HG21 VAL A 78 -2.011 10.404 -0.365 1.00 15.50 H new ATOM 0 HG22 VAL A 78 -3.073 8.981 -0.479 1.00 15.50 H new ATOM 0 HG23 VAL A 78 -3.466 10.296 0.654 1.00 15.50 H new ATOM 1340 N PHE A 79 -1.760 6.034 3.149 1.00 20.42 N ATOM 1341 CA PHE A 79 -0.848 5.255 3.994 1.00 33.45 C ATOM 1342 C PHE A 79 -0.030 4.341 3.067 1.00 21.21 C ATOM 1343 O PHE A 79 -0.589 3.675 2.201 1.00 1.02 O ATOM 1344 CB PHE A 79 -1.638 4.417 5.049 1.00 74.12 C ATOM 1345 CG PHE A 79 -0.773 3.801 6.161 1.00 41.45 C ATOM 1346 CD1 PHE A 79 -0.018 2.643 5.942 1.00 54.33 C ATOM 1347 CD2 PHE A 79 -0.713 4.385 7.428 1.00 45.54 C ATOM 1348 CE1 PHE A 79 0.764 2.099 6.943 1.00 10.23 C ATOM 1349 CE2 PHE A 79 0.068 3.837 8.430 1.00 20.40 C ATOM 1350 CZ PHE A 79 0.806 2.696 8.186 1.00 4.54 C ATOM 0 H PHE A 79 -2.288 5.464 2.488 1.00 20.42 H new ATOM 0 HA PHE A 79 -0.188 5.920 4.552 1.00 33.45 H new ATOM 0 HB2 PHE A 79 -2.394 5.055 5.507 1.00 74.12 H new ATOM 0 HB3 PHE A 79 -2.167 3.616 4.533 1.00 74.12 H new ATOM 0 HD1 PHE A 79 -0.047 2.166 4.973 1.00 54.33 H new ATOM 0 HD2 PHE A 79 -1.285 5.279 7.629 1.00 45.54 H new ATOM 0 HE1 PHE A 79 1.342 1.207 6.752 1.00 10.23 H new ATOM 0 HE2 PHE A 79 0.100 4.302 9.404 1.00 20.40 H new ATOM 0 HZ PHE A 79 1.417 2.271 8.969 1.00 4.54 H new ATOM 1360 N LEU A 80 1.287 4.326 3.253 1.00 34.30 N ATOM 1361 CA LEU A 80 2.207 3.479 2.479 1.00 34.05 C ATOM 1362 C LEU A 80 2.992 2.602 3.467 1.00 24.23 C ATOM 1363 O LEU A 80 3.308 3.034 4.577 1.00 55.41 O ATOM 1364 CB LEU A 80 3.154 4.367 1.604 1.00 70.11 C ATOM 1365 CG LEU A 80 4.184 3.622 0.676 1.00 65.15 C ATOM 1366 CD1 LEU A 80 3.493 2.628 -0.264 1.00 24.50 C ATOM 1367 CD2 LEU A 80 5.042 4.622 -0.128 1.00 34.54 C ATOM 0 H LEU A 80 1.756 4.905 3.950 1.00 34.30 H new ATOM 0 HA LEU A 80 1.656 2.836 1.793 1.00 34.05 H new ATOM 0 HB2 LEU A 80 2.533 5.005 0.975 1.00 70.11 H new ATOM 0 HB3 LEU A 80 3.713 5.023 2.271 1.00 70.11 H new ATOM 0 HG LEU A 80 4.845 3.054 1.331 1.00 65.15 H new ATOM 0 HD11 LEU A 80 4.240 2.136 -0.887 1.00 24.50 H new ATOM 0 HD12 LEU A 80 2.962 1.880 0.324 1.00 24.50 H new ATOM 0 HD13 LEU A 80 2.785 3.160 -0.899 1.00 24.50 H new ATOM 0 HD21 LEU A 80 5.743 4.075 -0.759 1.00 34.54 H new ATOM 0 HD22 LEU A 80 4.394 5.236 -0.753 1.00 34.54 H new ATOM 0 HD23 LEU A 80 5.595 5.262 0.560 1.00 34.54 H new ATOM 1379 N LEU A 81 3.252 1.364 3.063 1.00 54.20 N ATOM 1380 CA LEU A 81 3.994 0.371 3.843 1.00 64.30 C ATOM 1381 C LEU A 81 4.790 -0.468 2.846 1.00 32.43 C ATOM 1382 O LEU A 81 4.205 -1.176 2.032 1.00 73.34 O ATOM 1383 CB LEU A 81 3.002 -0.513 4.667 1.00 14.33 C ATOM 1384 CG LEU A 81 3.600 -1.773 5.390 1.00 52.41 C ATOM 1385 CD1 LEU A 81 4.709 -1.392 6.391 1.00 43.52 C ATOM 1386 CD2 LEU A 81 2.482 -2.600 6.065 1.00 52.02 C ATOM 0 H LEU A 81 2.945 1.009 2.157 1.00 54.20 H new ATOM 0 HA LEU A 81 4.667 0.845 4.558 1.00 64.30 H new ATOM 0 HB2 LEU A 81 2.532 0.118 5.421 1.00 14.33 H new ATOM 0 HB3 LEU A 81 2.212 -0.851 3.996 1.00 14.33 H new ATOM 0 HG LEU A 81 4.068 -2.398 4.629 1.00 52.41 H new ATOM 0 HD11 LEU A 81 5.094 -2.293 6.868 1.00 43.52 H new ATOM 0 HD12 LEU A 81 5.518 -0.887 5.863 1.00 43.52 H new ATOM 0 HD13 LEU A 81 4.300 -0.726 7.151 1.00 43.52 H new ATOM 0 HD21 LEU A 81 2.919 -3.468 6.559 1.00 52.02 H new ATOM 0 HD22 LEU A 81 1.968 -1.983 6.802 1.00 52.02 H new ATOM 0 HD23 LEU A 81 1.770 -2.933 5.310 1.00 52.02 H new ATOM 1398 N LEU A 82 6.123 -0.376 2.894 1.00 42.21 N ATOM 1399 CA LEU A 82 6.997 -1.072 1.939 1.00 52.22 C ATOM 1400 C LEU A 82 8.044 -1.942 2.671 1.00 55.41 C ATOM 1401 O LEU A 82 8.614 -1.555 3.702 1.00 34.23 O ATOM 1402 CB LEU A 82 7.620 -0.053 0.915 1.00 71.44 C ATOM 1403 CG LEU A 82 8.038 1.373 1.445 1.00 71.43 C ATOM 1404 CD1 LEU A 82 9.265 1.335 2.367 1.00 10.22 C ATOM 1405 CD2 LEU A 82 8.265 2.354 0.281 1.00 41.12 C ATOM 0 H LEU A 82 6.625 0.177 3.589 1.00 42.21 H new ATOM 0 HA LEU A 82 6.400 -1.768 1.350 1.00 52.22 H new ATOM 0 HB2 LEU A 82 8.504 -0.518 0.478 1.00 71.44 H new ATOM 0 HB3 LEU A 82 6.902 0.089 0.107 1.00 71.44 H new ATOM 0 HG LEU A 82 7.203 1.730 2.047 1.00 71.43 H new ATOM 0 HD11 LEU A 82 9.503 2.346 2.698 1.00 10.22 H new ATOM 0 HD12 LEU A 82 9.050 0.710 3.234 1.00 10.22 H new ATOM 0 HD13 LEU A 82 10.115 0.922 1.824 1.00 10.22 H new ATOM 0 HD21 LEU A 82 8.552 3.328 0.677 1.00 41.12 H new ATOM 0 HD22 LEU A 82 9.059 1.976 -0.364 1.00 41.12 H new ATOM 0 HD23 LEU A 82 7.345 2.453 -0.296 1.00 41.12 H new ATOM 1417 N GLN A 83 8.230 -3.137 2.117 1.00 33.23 N ATOM 1418 CA GLN A 83 9.135 -4.163 2.588 1.00 21.24 C ATOM 1419 C GLN A 83 9.745 -4.830 1.362 1.00 11.11 C ATOM 1420 O GLN A 83 9.035 -5.271 0.469 1.00 1.14 O ATOM 1421 CB GLN A 83 8.371 -5.195 3.498 1.00 43.21 C ATOM 1422 CG GLN A 83 8.872 -6.667 3.483 1.00 62.15 C ATOM 1423 CD GLN A 83 10.370 -6.878 3.750 1.00 41.42 C ATOM 1424 OE1 GLN A 83 10.969 -7.823 3.249 1.00 1.34 O ATOM 1425 NE2 GLN A 83 10.989 -6.028 4.534 1.00 60.12 N ATOM 0 H GLN A 83 7.721 -3.424 1.281 1.00 33.23 H new ATOM 0 HA GLN A 83 9.926 -3.735 3.203 1.00 21.24 H new ATOM 0 HB2 GLN A 83 8.414 -4.835 4.526 1.00 43.21 H new ATOM 0 HB3 GLN A 83 7.322 -5.193 3.203 1.00 43.21 H new ATOM 0 HG2 GLN A 83 8.309 -7.228 4.229 1.00 62.15 H new ATOM 0 HG3 GLN A 83 8.633 -7.100 2.512 1.00 62.15 H new ATOM 0 HE21 GLN A 83 10.477 -5.246 4.944 1.00 60.12 H new ATOM 0 HE22 GLN A 83 11.982 -6.149 4.734 1.00 60.12 H new ATOM 1434 N ASP A 84 11.064 -4.930 1.367 1.00 31.32 N ATOM 1435 CA ASP A 84 11.846 -5.582 0.316 1.00 4.41 C ATOM 1436 C ASP A 84 13.171 -6.008 0.921 1.00 54.45 C ATOM 1437 O ASP A 84 13.595 -5.474 1.957 1.00 44.13 O ATOM 1438 CB ASP A 84 12.087 -4.669 -0.927 1.00 23.14 C ATOM 1439 CG ASP A 84 10.892 -4.610 -1.907 1.00 32.20 C ATOM 1440 OD1 ASP A 84 10.656 -5.626 -2.601 1.00 51.01 O ATOM 1441 OD2 ASP A 84 10.200 -3.559 -1.986 1.00 64.35 O ATOM 0 H ASP A 84 11.640 -4.552 2.119 1.00 31.32 H new ATOM 0 HA ASP A 84 11.282 -6.440 -0.051 1.00 4.41 H new ATOM 0 HB2 ASP A 84 12.313 -3.659 -0.585 1.00 23.14 H new ATOM 0 HB3 ASP A 84 12.966 -5.028 -1.463 1.00 23.14 H new ATOM 1446 N GLN A 85 13.819 -6.970 0.263 1.00 72.22 N ATOM 1447 CA GLN A 85 15.123 -7.482 0.696 1.00 41.42 C ATOM 1448 C GLN A 85 16.230 -6.468 0.325 1.00 4.15 C ATOM 1449 O GLN A 85 17.308 -6.476 0.923 1.00 61.12 O ATOM 1450 CB GLN A 85 15.366 -8.875 0.071 1.00 71.00 C ATOM 1451 CG GLN A 85 14.182 -9.861 0.238 1.00 42.42 C ATOM 1452 CD GLN A 85 13.852 -10.230 1.689 1.00 64.52 C ATOM 1453 OE1 GLN A 85 14.430 -11.157 2.258 1.00 22.12 O ATOM 1454 NE2 GLN A 85 12.879 -9.559 2.275 1.00 34.12 N ATOM 0 H GLN A 85 13.459 -7.415 -0.581 1.00 72.22 H new ATOM 0 HA GLN A 85 15.142 -7.602 1.779 1.00 41.42 H new ATOM 0 HB2 GLN A 85 15.575 -8.753 -0.992 1.00 71.00 H new ATOM 0 HB3 GLN A 85 16.256 -9.313 0.523 1.00 71.00 H new ATOM 0 HG2 GLN A 85 13.296 -9.423 -0.221 1.00 42.42 H new ATOM 0 HG3 GLN A 85 14.408 -10.775 -0.312 1.00 42.42 H new ATOM 0 HE21 GLN A 85 12.417 -8.795 1.781 1.00 34.12 H new ATOM 0 HE22 GLN A 85 12.589 -9.804 3.222 1.00 34.12 H new ATOM 1463 N ASP A 86 15.943 -5.609 -0.680 1.00 53.54 N ATOM 1464 CA ASP A 86 16.773 -4.441 -1.017 1.00 14.12 C ATOM 1465 C ASP A 86 16.263 -3.222 -0.226 1.00 1.51 C ATOM 1466 O ASP A 86 15.331 -2.526 -0.665 1.00 61.52 O ATOM 1467 CB ASP A 86 16.728 -4.141 -2.544 1.00 4.32 C ATOM 1468 CG ASP A 86 17.199 -5.317 -3.413 1.00 5.01 C ATOM 1469 OD1 ASP A 86 18.425 -5.454 -3.639 1.00 1.32 O ATOM 1470 OD2 ASP A 86 16.343 -6.115 -3.865 1.00 52.24 O ATOM 0 H ASP A 86 15.124 -5.712 -1.280 1.00 53.54 H new ATOM 0 HA ASP A 86 17.808 -4.655 -0.750 1.00 14.12 H new ATOM 0 HB2 ASP A 86 15.708 -3.878 -2.825 1.00 4.32 H new ATOM 0 HB3 ASP A 86 17.351 -3.272 -2.754 1.00 4.32 H new ATOM 1475 N GLU A 87 16.853 -2.997 0.957 1.00 62.41 N ATOM 1476 CA GLU A 87 16.443 -1.909 1.865 1.00 34.23 C ATOM 1477 C GLU A 87 16.949 -0.542 1.369 1.00 73.54 C ATOM 1478 O GLU A 87 16.346 0.488 1.683 1.00 75.45 O ATOM 1479 CB GLU A 87 16.923 -2.185 3.315 1.00 21.23 C ATOM 1480 CG GLU A 87 16.462 -1.128 4.347 1.00 31.40 C ATOM 1481 CD GLU A 87 16.939 -1.412 5.769 1.00 32.12 C ATOM 1482 OE1 GLU A 87 18.146 -1.259 6.040 1.00 40.32 O ATOM 1483 OE2 GLU A 87 16.113 -1.759 6.629 1.00 73.11 O ATOM 0 H GLU A 87 17.625 -3.560 1.313 1.00 62.41 H new ATOM 0 HA GLU A 87 15.353 -1.876 1.869 1.00 34.23 H new ATOM 0 HB2 GLU A 87 16.558 -3.164 3.626 1.00 21.23 H new ATOM 0 HB3 GLU A 87 18.012 -2.233 3.322 1.00 21.23 H new ATOM 0 HG2 GLU A 87 16.828 -0.148 4.039 1.00 31.40 H new ATOM 0 HG3 GLU A 87 15.373 -1.078 4.341 1.00 31.40 H new ATOM 1490 N ASN A 88 18.033 -0.539 0.569 1.00 2.14 N ATOM 1491 CA ASN A 88 18.598 0.702 -0.002 1.00 12.01 C ATOM 1492 C ASN A 88 17.584 1.401 -0.928 1.00 73.40 C ATOM 1493 O ASN A 88 17.495 2.629 -0.929 1.00 13.12 O ATOM 1494 CB ASN A 88 19.927 0.421 -0.755 1.00 73.31 C ATOM 1495 CG ASN A 88 21.109 0.068 0.162 1.00 45.45 C ATOM 1496 OD1 ASN A 88 21.963 -0.742 -0.196 1.00 33.05 O ATOM 1497 ND2 ASN A 88 21.202 0.697 1.331 1.00 4.23 N ATOM 0 H ASN A 88 18.537 -1.385 0.302 1.00 2.14 H new ATOM 0 HA ASN A 88 18.817 1.374 0.828 1.00 12.01 H new ATOM 0 HB2 ASN A 88 19.768 -0.399 -1.456 1.00 73.31 H new ATOM 0 HB3 ASN A 88 20.189 1.299 -1.345 1.00 73.31 H new ATOM 0 HD21 ASN A 88 21.992 0.511 1.949 1.00 4.23 H new ATOM 0 HD22 ASN A 88 20.483 1.365 1.609 1.00 4.23 H new ATOM 1504 N GLU A 89 16.806 0.601 -1.683 1.00 51.31 N ATOM 1505 CA GLU A 89 15.746 1.122 -2.570 1.00 70.42 C ATOM 1506 C GLU A 89 14.497 1.539 -1.763 1.00 40.10 C ATOM 1507 O GLU A 89 13.742 2.415 -2.199 1.00 75.44 O ATOM 1508 CB GLU A 89 15.382 0.080 -3.647 1.00 72.11 C ATOM 1509 CG GLU A 89 16.558 -0.310 -4.564 1.00 54.52 C ATOM 1510 CD GLU A 89 16.137 -1.266 -5.690 1.00 74.24 C ATOM 1511 OE1 GLU A 89 15.676 -0.784 -6.744 1.00 62.11 O ATOM 1512 OE2 GLU A 89 16.246 -2.497 -5.519 1.00 74.50 O ATOM 0 H GLU A 89 16.893 -0.415 -1.696 1.00 51.31 H new ATOM 0 HA GLU A 89 16.130 2.012 -3.068 1.00 70.42 H new ATOM 0 HB2 GLU A 89 15.004 -0.817 -3.157 1.00 72.11 H new ATOM 0 HB3 GLU A 89 14.572 0.474 -4.260 1.00 72.11 H new ATOM 0 HG2 GLU A 89 16.989 0.592 -5.000 1.00 54.52 H new ATOM 0 HG3 GLU A 89 17.339 -0.780 -3.967 1.00 54.52 H new ATOM 1519 N LEU A 90 14.287 0.904 -0.585 1.00 51.22 N ATOM 1520 CA LEU A 90 13.178 1.250 0.333 1.00 74.40 C ATOM 1521 C LEU A 90 13.383 2.650 0.934 1.00 74.34 C ATOM 1522 O LEU A 90 12.492 3.489 0.869 1.00 33.22 O ATOM 1523 CB LEU A 90 13.063 0.223 1.494 1.00 62.12 C ATOM 1524 CG LEU A 90 12.671 -1.231 1.122 1.00 42.24 C ATOM 1525 CD1 LEU A 90 12.683 -2.130 2.377 1.00 72.21 C ATOM 1526 CD2 LEU A 90 11.302 -1.273 0.411 1.00 4.32 C ATOM 0 H LEU A 90 14.877 0.144 -0.247 1.00 51.22 H new ATOM 0 HA LEU A 90 12.260 1.232 -0.255 1.00 74.40 H new ATOM 0 HB2 LEU A 90 14.021 0.192 2.013 1.00 62.12 H new ATOM 0 HB3 LEU A 90 12.328 0.599 2.205 1.00 62.12 H new ATOM 0 HG LEU A 90 13.412 -1.618 0.422 1.00 42.24 H new ATOM 0 HD11 LEU A 90 12.406 -3.147 2.099 1.00 72.21 H new ATOM 0 HD12 LEU A 90 13.682 -2.133 2.813 1.00 72.21 H new ATOM 0 HD13 LEU A 90 11.970 -1.746 3.106 1.00 72.21 H new ATOM 0 HD21 LEU A 90 11.053 -2.305 0.162 1.00 4.32 H new ATOM 0 HD22 LEU A 90 10.537 -0.864 1.071 1.00 4.32 H new ATOM 0 HD23 LEU A 90 11.348 -0.680 -0.503 1.00 4.32 H new ATOM 1538 N GLU A 91 14.581 2.870 1.505 1.00 62.22 N ATOM 1539 CA GLU A 91 14.905 4.072 2.304 1.00 14.31 C ATOM 1540 C GLU A 91 14.966 5.346 1.427 1.00 21.52 C ATOM 1541 O GLU A 91 14.476 6.411 1.842 1.00 64.01 O ATOM 1542 CB GLU A 91 16.248 3.846 3.063 1.00 13.32 C ATOM 1543 CG GLU A 91 17.460 3.578 2.150 1.00 14.12 C ATOM 1544 CD GLU A 91 18.716 3.098 2.893 1.00 40.53 C ATOM 1545 OE1 GLU A 91 18.703 1.966 3.412 1.00 22.40 O ATOM 1546 OE2 GLU A 91 19.726 3.833 2.935 1.00 53.23 O ATOM 0 H GLU A 91 15.359 2.215 1.426 1.00 62.22 H new ATOM 0 HA GLU A 91 14.107 4.229 3.030 1.00 14.31 H new ATOM 0 HB2 GLU A 91 16.457 4.723 3.675 1.00 13.32 H new ATOM 0 HB3 GLU A 91 16.129 3.003 3.744 1.00 13.32 H new ATOM 0 HG2 GLU A 91 17.183 2.830 1.408 1.00 14.12 H new ATOM 0 HG3 GLU A 91 17.700 4.492 1.607 1.00 14.12 H new ATOM 1553 N GLU A 92 15.542 5.215 0.205 1.00 24.23 N ATOM 1554 CA GLU A 92 15.732 6.353 -0.715 1.00 45.33 C ATOM 1555 C GLU A 92 14.387 6.811 -1.310 1.00 41.13 C ATOM 1556 O GLU A 92 14.182 8.000 -1.527 1.00 60.31 O ATOM 1557 CB GLU A 92 16.733 6.002 -1.846 1.00 64.35 C ATOM 1558 CG GLU A 92 16.268 4.893 -2.817 1.00 61.01 C ATOM 1559 CD GLU A 92 17.304 4.577 -3.908 1.00 51.30 C ATOM 1560 OE1 GLU A 92 17.416 5.369 -4.864 1.00 72.22 O ATOM 1561 OE2 GLU A 92 18.028 3.562 -3.801 1.00 21.34 O ATOM 0 H GLU A 92 15.882 4.326 -0.162 1.00 24.23 H new ATOM 0 HA GLU A 92 16.151 7.176 -0.136 1.00 45.33 H new ATOM 0 HB2 GLU A 92 16.937 6.905 -2.422 1.00 64.35 H new ATOM 0 HB3 GLU A 92 17.675 5.694 -1.393 1.00 64.35 H new ATOM 0 HG2 GLU A 92 16.057 3.986 -2.250 1.00 61.01 H new ATOM 0 HG3 GLU A 92 15.334 5.199 -3.288 1.00 61.01 H new ATOM 1568 N PHE A 93 13.489 5.842 -1.576 1.00 30.14 N ATOM 1569 CA PHE A 93 12.131 6.113 -2.075 1.00 72.45 C ATOM 1570 C PHE A 93 11.243 6.657 -0.936 1.00 54.32 C ATOM 1571 O PHE A 93 10.468 7.592 -1.151 1.00 21.02 O ATOM 1572 CB PHE A 93 11.527 4.818 -2.689 1.00 22.14 C ATOM 1573 CG PHE A 93 10.091 4.958 -3.214 1.00 71.51 C ATOM 1574 CD1 PHE A 93 9.820 5.617 -4.416 1.00 62.23 C ATOM 1575 CD2 PHE A 93 9.010 4.433 -2.500 1.00 4.42 C ATOM 1576 CE1 PHE A 93 8.517 5.749 -4.875 1.00 75.42 C ATOM 1577 CE2 PHE A 93 7.717 4.568 -2.958 1.00 53.03 C ATOM 1578 CZ PHE A 93 7.468 5.222 -4.144 1.00 4.24 C ATOM 0 H PHE A 93 13.687 4.849 -1.450 1.00 30.14 H new ATOM 0 HA PHE A 93 12.178 6.873 -2.855 1.00 72.45 H new ATOM 0 HB2 PHE A 93 12.167 4.489 -3.508 1.00 22.14 H new ATOM 0 HB3 PHE A 93 11.547 4.032 -1.934 1.00 22.14 H new ATOM 0 HD1 PHE A 93 10.634 6.028 -4.994 1.00 62.23 H new ATOM 0 HD2 PHE A 93 9.191 3.912 -1.572 1.00 4.42 H new ATOM 0 HE1 PHE A 93 8.322 6.264 -5.804 1.00 75.42 H new ATOM 0 HE2 PHE A 93 6.897 4.160 -2.385 1.00 53.03 H new ATOM 0 HZ PHE A 93 6.454 5.323 -4.503 1.00 4.24 H new ATOM 1588 N LYS A 94 11.383 6.059 0.270 1.00 21.24 N ATOM 1589 CA LYS A 94 10.600 6.430 1.469 1.00 54.43 C ATOM 1590 C LYS A 94 10.734 7.923 1.795 1.00 74.43 C ATOM 1591 O LYS A 94 9.727 8.601 1.972 1.00 24.33 O ATOM 1592 CB LYS A 94 11.058 5.612 2.711 1.00 22.44 C ATOM 1593 CG LYS A 94 10.282 5.960 4.015 1.00 62.11 C ATOM 1594 CD LYS A 94 11.035 5.603 5.308 1.00 62.34 C ATOM 1595 CE LYS A 94 12.372 6.355 5.444 1.00 51.31 C ATOM 1596 NZ LYS A 94 12.964 6.176 6.794 1.00 25.33 N ATOM 0 H LYS A 94 12.046 5.302 0.438 1.00 21.24 H new ATOM 0 HA LYS A 94 9.558 6.205 1.240 1.00 54.43 H new ATOM 0 HB2 LYS A 94 10.936 4.550 2.500 1.00 22.44 H new ATOM 0 HB3 LYS A 94 12.122 5.784 2.876 1.00 22.44 H new ATOM 0 HG2 LYS A 94 10.060 7.027 4.019 1.00 62.11 H new ATOM 0 HG3 LYS A 94 9.326 5.436 4.007 1.00 62.11 H new ATOM 0 HD2 LYS A 94 10.404 5.834 6.166 1.00 62.34 H new ATOM 0 HD3 LYS A 94 11.223 4.530 5.330 1.00 62.34 H new ATOM 0 HE2 LYS A 94 13.071 5.995 4.689 1.00 51.31 H new ATOM 0 HE3 LYS A 94 12.214 7.416 5.253 1.00 51.31 H new ATOM 0 HZ1 LYS A 94 13.863 6.696 6.850 1.00 25.33 H new ATOM 0 HZ2 LYS A 94 12.307 6.542 7.512 1.00 25.33 H new ATOM 0 HZ3 LYS A 94 13.137 5.165 6.966 1.00 25.33 H new ATOM 1610 N ARG A 95 11.996 8.404 1.868 1.00 53.43 N ATOM 1611 CA ARG A 95 12.305 9.797 2.257 1.00 22.02 C ATOM 1612 C ARG A 95 11.691 10.819 1.277 1.00 1.24 C ATOM 1613 O ARG A 95 11.394 11.953 1.664 1.00 2.31 O ATOM 1614 CB ARG A 95 13.838 9.999 2.399 1.00 70.10 C ATOM 1615 CG ARG A 95 14.653 9.809 1.104 1.00 4.43 C ATOM 1616 CD ARG A 95 16.172 9.893 1.334 1.00 1.23 C ATOM 1617 NE ARG A 95 16.606 11.213 1.835 1.00 63.11 N ATOM 1618 CZ ARG A 95 17.891 11.598 1.989 1.00 35.53 C ATOM 1619 NH1 ARG A 95 18.897 10.777 1.676 1.00 11.03 N ATOM 1620 NH2 ARG A 95 18.159 12.809 2.454 1.00 13.43 N ATOM 0 H ARG A 95 12.822 7.842 1.661 1.00 53.43 H new ATOM 0 HA ARG A 95 11.846 9.977 3.229 1.00 22.02 H new ATOM 0 HB2 ARG A 95 14.021 11.004 2.779 1.00 70.10 H new ATOM 0 HB3 ARG A 95 14.211 9.301 3.149 1.00 70.10 H new ATOM 0 HG2 ARG A 95 14.410 8.841 0.667 1.00 4.43 H new ATOM 0 HG3 ARG A 95 14.358 10.569 0.380 1.00 4.43 H new ATOM 0 HD2 ARG A 95 16.469 9.124 2.047 1.00 1.23 H new ATOM 0 HD3 ARG A 95 16.688 9.677 0.399 1.00 1.23 H new ATOM 0 HE ARG A 95 15.880 11.885 2.084 1.00 63.11 H new ATOM 0 HH11 ARG A 95 18.700 9.844 1.315 1.00 11.03 H new ATOM 0 HH12 ARG A 95 19.862 11.083 1.798 1.00 11.03 H new ATOM 0 HH21 ARG A 95 17.397 13.444 2.693 1.00 13.43 H new ATOM 0 HH22 ARG A 95 19.127 13.107 2.573 1.00 13.43 H new ATOM 1634 N LYS A 96 11.484 10.389 0.015 1.00 25.34 N ATOM 1635 CA LYS A 96 10.820 11.208 -1.015 1.00 14.24 C ATOM 1636 C LYS A 96 9.327 11.345 -0.696 1.00 63.24 C ATOM 1637 O LYS A 96 8.758 12.420 -0.840 1.00 73.12 O ATOM 1638 CB LYS A 96 11.006 10.583 -2.418 1.00 23.53 C ATOM 1639 CG LYS A 96 12.473 10.325 -2.807 1.00 70.42 C ATOM 1640 CD LYS A 96 13.328 11.612 -2.854 1.00 34.33 C ATOM 1641 CE LYS A 96 14.819 11.316 -3.097 1.00 73.20 C ATOM 1642 NZ LYS A 96 15.046 10.550 -4.349 1.00 41.33 N ATOM 0 H LYS A 96 11.772 9.468 -0.316 1.00 25.34 H new ATOM 0 HA LYS A 96 11.278 12.197 -1.015 1.00 14.24 H new ATOM 0 HB2 LYS A 96 10.460 9.640 -2.458 1.00 23.53 H new ATOM 0 HB3 LYS A 96 10.556 11.243 -3.160 1.00 23.53 H new ATOM 0 HG2 LYS A 96 12.914 9.630 -2.093 1.00 70.42 H new ATOM 0 HG3 LYS A 96 12.503 9.841 -3.783 1.00 70.42 H new ATOM 0 HD2 LYS A 96 12.956 12.264 -3.645 1.00 34.33 H new ATOM 0 HD3 LYS A 96 13.216 12.154 -1.915 1.00 34.33 H new ATOM 0 HE2 LYS A 96 15.370 12.255 -3.143 1.00 73.20 H new ATOM 0 HE3 LYS A 96 15.218 10.754 -2.253 1.00 73.20 H new ATOM 0 HZ1 LYS A 96 16.068 10.434 -4.504 1.00 41.33 H new ATOM 0 HZ2 LYS A 96 14.599 9.614 -4.269 1.00 41.33 H new ATOM 0 HZ3 LYS A 96 14.630 11.065 -5.151 1.00 41.33 H new ATOM 1656 N ILE A 97 8.722 10.232 -0.249 1.00 65.32 N ATOM 1657 CA ILE A 97 7.297 10.173 0.131 1.00 13.50 C ATOM 1658 C ILE A 97 7.056 10.991 1.425 1.00 11.34 C ATOM 1659 O ILE A 97 6.016 11.651 1.571 1.00 1.44 O ATOM 1660 CB ILE A 97 6.818 8.679 0.314 1.00 31.40 C ATOM 1661 CG1 ILE A 97 7.231 7.801 -0.915 1.00 3.34 C ATOM 1662 CG2 ILE A 97 5.295 8.589 0.567 1.00 63.41 C ATOM 1663 CD1 ILE A 97 6.818 8.346 -2.278 1.00 50.32 C ATOM 0 H ILE A 97 9.209 9.342 -0.140 1.00 65.32 H new ATOM 0 HA ILE A 97 6.708 10.612 -0.674 1.00 13.50 H new ATOM 0 HB ILE A 97 7.319 8.287 1.199 1.00 31.40 H new ATOM 0 HG12 ILE A 97 8.314 7.679 -0.905 1.00 3.34 H new ATOM 0 HG13 ILE A 97 6.797 6.809 -0.793 1.00 3.34 H new ATOM 0 HG21 ILE A 97 5.007 7.545 0.687 1.00 63.41 H new ATOM 0 HG22 ILE A 97 5.043 9.141 1.472 1.00 63.41 H new ATOM 0 HG23 ILE A 97 4.759 9.018 -0.280 1.00 63.41 H new ATOM 0 HD11 ILE A 97 7.152 7.663 -3.059 1.00 50.32 H new ATOM 0 HD12 ILE A 97 5.733 8.441 -2.318 1.00 50.32 H new ATOM 0 HD13 ILE A 97 7.274 9.324 -2.432 1.00 50.32 H new ATOM 1675 N GLU A 98 8.044 10.942 2.348 1.00 62.40 N ATOM 1676 CA GLU A 98 8.080 11.795 3.553 1.00 15.41 C ATOM 1677 C GLU A 98 8.139 13.284 3.168 1.00 15.24 C ATOM 1678 O GLU A 98 7.504 14.125 3.816 1.00 53.15 O ATOM 1679 CB GLU A 98 9.300 11.447 4.454 1.00 20.03 C ATOM 1680 CG GLU A 98 9.357 9.991 4.956 1.00 44.01 C ATOM 1681 CD GLU A 98 10.483 9.767 5.976 1.00 1.32 C ATOM 1682 OE1 GLU A 98 11.648 9.629 5.566 1.00 15.50 O ATOM 1683 OE2 GLU A 98 10.210 9.767 7.199 1.00 3.43 O ATOM 0 H GLU A 98 8.839 10.308 2.276 1.00 62.40 H new ATOM 0 HA GLU A 98 7.164 11.604 4.112 1.00 15.41 H new ATOM 0 HB2 GLU A 98 10.213 11.657 3.897 1.00 20.03 H new ATOM 0 HB3 GLU A 98 9.293 12.111 5.318 1.00 20.03 H new ATOM 0 HG2 GLU A 98 8.402 9.729 5.410 1.00 44.01 H new ATOM 0 HG3 GLU A 98 9.501 9.322 4.107 1.00 44.01 H new ATOM 1690 N SER A 99 8.907 13.591 2.102 1.00 35.02 N ATOM 1691 CA SER A 99 9.052 14.954 1.570 1.00 51.32 C ATOM 1692 C SER A 99 7.722 15.428 0.937 1.00 3.25 C ATOM 1693 O SER A 99 7.363 16.609 1.040 1.00 3.43 O ATOM 1694 CB SER A 99 10.206 14.990 0.539 1.00 75.11 C ATOM 1695 OG SER A 99 10.487 16.307 0.094 1.00 32.14 O ATOM 0 H SER A 99 9.445 12.894 1.587 1.00 35.02 H new ATOM 0 HA SER A 99 9.295 15.636 2.385 1.00 51.32 H new ATOM 0 HB2 SER A 99 11.103 14.560 0.985 1.00 75.11 H new ATOM 0 HB3 SER A 99 9.946 14.367 -0.317 1.00 75.11 H new ATOM 0 HG SER A 99 11.222 16.284 -0.554 1.00 32.14 H new ATOM 1701 N GLN A 100 6.979 14.481 0.312 1.00 23.12 N ATOM 1702 CA GLN A 100 5.640 14.744 -0.259 1.00 73.22 C ATOM 1703 C GLN A 100 4.587 14.925 0.865 1.00 34.41 C ATOM 1704 O GLN A 100 3.473 15.396 0.612 1.00 35.14 O ATOM 1705 CB GLN A 100 5.212 13.603 -1.230 1.00 31.52 C ATOM 1706 CG GLN A 100 6.182 13.334 -2.404 1.00 2.24 C ATOM 1707 CD GLN A 100 6.449 14.560 -3.288 1.00 64.31 C ATOM 1708 OE1 GLN A 100 5.577 15.402 -3.505 1.00 42.12 O ATOM 1709 NE2 GLN A 100 7.665 14.685 -3.788 1.00 23.20 N ATOM 0 H GLN A 100 7.292 13.518 0.191 1.00 23.12 H new ATOM 0 HA GLN A 100 5.697 15.671 -0.829 1.00 73.22 H new ATOM 0 HB2 GLN A 100 5.099 12.683 -0.656 1.00 31.52 H new ATOM 0 HB3 GLN A 100 4.231 13.846 -1.639 1.00 31.52 H new ATOM 0 HG2 GLN A 100 7.130 12.975 -2.003 1.00 2.24 H new ATOM 0 HG3 GLN A 100 5.774 12.535 -3.023 1.00 2.24 H new ATOM 0 HE21 GLN A 100 8.371 13.975 -3.595 1.00 23.20 H new ATOM 0 HE22 GLN A 100 7.898 15.492 -4.367 1.00 23.20 H new ATOM 1718 N GLY A 101 4.955 14.533 2.103 1.00 53.42 N ATOM 1719 CA GLY A 101 4.113 14.724 3.288 1.00 12.14 C ATOM 1720 C GLY A 101 3.155 13.572 3.531 1.00 2.43 C ATOM 1721 O GLY A 101 2.292 13.657 4.414 1.00 44.32 O ATOM 0 H GLY A 101 5.845 14.076 2.302 1.00 53.42 H new ATOM 0 HA2 GLY A 101 4.751 14.849 4.163 1.00 12.14 H new ATOM 0 HA3 GLY A 101 3.542 15.646 3.176 1.00 12.14 H new ATOM 1725 N TYR A 102 3.305 12.494 2.740 1.00 62.33 N ATOM 1726 CA TYR A 102 2.462 11.292 2.852 1.00 65.44 C ATOM 1727 C TYR A 102 3.034 10.339 3.911 1.00 62.22 C ATOM 1728 O TYR A 102 4.256 10.304 4.135 1.00 12.14 O ATOM 1729 CB TYR A 102 2.344 10.570 1.485 1.00 65.10 C ATOM 1730 CG TYR A 102 1.721 11.431 0.375 1.00 50.30 C ATOM 1731 CD1 TYR A 102 0.504 12.086 0.578 1.00 42.44 C ATOM 1732 CD2 TYR A 102 2.343 11.587 -0.864 1.00 41.45 C ATOM 1733 CE1 TYR A 102 -0.059 12.868 -0.409 1.00 55.43 C ATOM 1734 CE2 TYR A 102 1.780 12.368 -1.857 1.00 60.30 C ATOM 1735 CZ TYR A 102 0.580 13.007 -1.625 1.00 33.32 C ATOM 1736 OH TYR A 102 0.020 13.810 -2.603 1.00 12.22 O ATOM 0 H TYR A 102 4.012 12.433 2.008 1.00 62.33 H new ATOM 0 HA TYR A 102 1.463 11.602 3.160 1.00 65.44 H new ATOM 0 HB2 TYR A 102 3.336 10.249 1.168 1.00 65.10 H new ATOM 0 HB3 TYR A 102 1.744 9.669 1.612 1.00 65.10 H new ATOM 0 HD1 TYR A 102 -0.005 11.978 1.524 1.00 42.44 H new ATOM 0 HD2 TYR A 102 3.282 11.088 -1.051 1.00 41.45 H new ATOM 0 HE1 TYR A 102 -0.998 13.371 -0.231 1.00 55.43 H new ATOM 0 HE2 TYR A 102 2.278 12.477 -2.809 1.00 60.30 H new ATOM 0 HH TYR A 102 0.592 13.803 -3.399 1.00 12.22 H new ATOM 1746 N GLU A 103 2.132 9.586 4.563 1.00 74.32 N ATOM 1747 CA GLU A 103 2.498 8.594 5.575 1.00 1.44 C ATOM 1748 C GLU A 103 3.094 7.355 4.897 1.00 13.33 C ATOM 1749 O GLU A 103 2.458 6.751 4.033 1.00 63.15 O ATOM 1750 CB GLU A 103 1.262 8.216 6.428 1.00 4.34 C ATOM 1751 CG GLU A 103 1.536 7.202 7.563 1.00 43.32 C ATOM 1752 CD GLU A 103 2.591 7.696 8.564 1.00 31.44 C ATOM 1753 OE1 GLU A 103 2.264 8.558 9.411 1.00 11.23 O ATOM 1754 OE2 GLU A 103 3.757 7.244 8.499 1.00 33.44 O ATOM 0 H GLU A 103 1.127 9.652 4.399 1.00 74.32 H new ATOM 0 HA GLU A 103 3.249 9.021 6.239 1.00 1.44 H new ATOM 0 HB2 GLU A 103 0.849 9.125 6.865 1.00 4.34 H new ATOM 0 HB3 GLU A 103 0.497 7.804 5.770 1.00 4.34 H new ATOM 0 HG2 GLU A 103 0.606 6.998 8.094 1.00 43.32 H new ATOM 0 HG3 GLU A 103 1.868 6.259 7.129 1.00 43.32 H new ATOM 1761 N VAL A 104 4.338 7.023 5.272 1.00 13.20 N ATOM 1762 CA VAL A 104 5.072 5.863 4.744 1.00 63.23 C ATOM 1763 C VAL A 104 5.826 5.145 5.880 1.00 71.01 C ATOM 1764 O VAL A 104 6.488 5.788 6.698 1.00 14.33 O ATOM 1765 CB VAL A 104 6.046 6.288 3.584 1.00 2.32 C ATOM 1766 CG1 VAL A 104 6.949 7.473 3.987 1.00 72.12 C ATOM 1767 CG2 VAL A 104 6.874 5.086 3.058 1.00 75.22 C ATOM 0 H VAL A 104 4.869 7.559 5.959 1.00 13.20 H new ATOM 0 HA VAL A 104 4.352 5.163 4.320 1.00 63.23 H new ATOM 0 HB VAL A 104 5.422 6.634 2.760 1.00 2.32 H new ATOM 0 HG11 VAL A 104 7.604 7.731 3.155 1.00 72.12 H new ATOM 0 HG12 VAL A 104 6.329 8.333 4.241 1.00 72.12 H new ATOM 0 HG13 VAL A 104 7.553 7.193 4.850 1.00 72.12 H new ATOM 0 HG21 VAL A 104 7.534 5.421 2.258 1.00 75.22 H new ATOM 0 HG22 VAL A 104 7.470 4.672 3.871 1.00 75.22 H new ATOM 0 HG23 VAL A 104 6.200 4.320 2.675 1.00 75.22 H new ATOM 1777 N ARG A 105 5.718 3.810 5.919 1.00 24.22 N ATOM 1778 CA ARG A 105 6.355 2.962 6.933 1.00 40.44 C ATOM 1779 C ARG A 105 7.308 1.975 6.253 1.00 21.22 C ATOM 1780 O ARG A 105 6.892 1.187 5.401 1.00 71.13 O ATOM 1781 CB ARG A 105 5.275 2.223 7.781 1.00 33.44 C ATOM 1782 CG ARG A 105 4.583 3.106 8.848 1.00 51.42 C ATOM 1783 CD ARG A 105 5.584 3.658 9.881 1.00 3.45 C ATOM 1784 NE ARG A 105 6.359 2.571 10.526 1.00 75.02 N ATOM 1785 CZ ARG A 105 7.617 2.666 10.992 1.00 65.20 C ATOM 1786 NH1 ARG A 105 8.301 3.807 10.927 1.00 65.13 N ATOM 1787 NH2 ARG A 105 8.198 1.598 11.522 1.00 40.44 N ATOM 0 H ARG A 105 5.176 3.281 5.235 1.00 24.22 H new ATOM 0 HA ARG A 105 6.936 3.584 7.614 1.00 40.44 H new ATOM 0 HB2 ARG A 105 4.515 1.823 7.110 1.00 33.44 H new ATOM 0 HB3 ARG A 105 5.741 1.372 8.278 1.00 33.44 H new ATOM 0 HG2 ARG A 105 4.075 3.936 8.357 1.00 51.42 H new ATOM 0 HG3 ARG A 105 3.818 2.522 9.361 1.00 51.42 H new ATOM 0 HD2 ARG A 105 6.268 4.352 9.391 1.00 3.45 H new ATOM 0 HD3 ARG A 105 5.047 4.224 10.642 1.00 3.45 H new ATOM 0 HE ARG A 105 5.895 1.668 10.625 1.00 75.02 H new ATOM 0 HH11 ARG A 105 7.872 4.636 10.516 1.00 65.13 H new ATOM 0 HH12 ARG A 105 9.254 3.852 11.288 1.00 65.13 H new ATOM 0 HH21 ARG A 105 7.691 0.714 11.573 1.00 40.44 H new ATOM 0 HH22 ARG A 105 9.152 1.660 11.878 1.00 40.44 H new ATOM 1801 N LYS A 106 8.598 2.055 6.620 1.00 11.52 N ATOM 1802 CA LYS A 106 9.649 1.168 6.098 1.00 54.51 C ATOM 1803 C LYS A 106 10.025 0.158 7.180 1.00 24.12 C ATOM 1804 O LYS A 106 10.192 0.517 8.350 1.00 75.50 O ATOM 1805 CB LYS A 106 10.886 1.999 5.634 1.00 2.22 C ATOM 1806 CG LYS A 106 11.983 1.227 4.826 1.00 74.21 C ATOM 1807 CD LYS A 106 13.022 0.471 5.692 1.00 74.03 C ATOM 1808 CE LYS A 106 13.832 1.423 6.585 1.00 40.24 C ATOM 1809 NZ LYS A 106 14.853 0.711 7.382 1.00 21.20 N ATOM 0 H LYS A 106 8.942 2.741 7.291 1.00 11.52 H new ATOM 0 HA LYS A 106 9.280 0.628 5.226 1.00 54.51 H new ATOM 0 HB2 LYS A 106 10.530 2.827 5.021 1.00 2.22 H new ATOM 0 HB3 LYS A 106 11.355 2.434 6.516 1.00 2.22 H new ATOM 0 HG2 LYS A 106 11.492 0.511 4.167 1.00 74.21 H new ATOM 0 HG3 LYS A 106 12.511 1.937 4.189 1.00 74.21 H new ATOM 0 HD2 LYS A 106 12.509 -0.262 6.315 1.00 74.03 H new ATOM 0 HD3 LYS A 106 13.701 -0.082 5.043 1.00 74.03 H new ATOM 0 HE2 LYS A 106 14.318 2.175 5.964 1.00 40.24 H new ATOM 0 HE3 LYS A 106 13.155 1.953 7.255 1.00 40.24 H new ATOM 0 HZ1 LYS A 106 15.721 1.283 7.425 1.00 21.20 H new ATOM 0 HZ2 LYS A 106 14.494 0.554 8.345 1.00 21.20 H new ATOM 0 HZ3 LYS A 106 15.064 -0.205 6.937 1.00 21.20 H new ATOM 1823 N VAL A 107 10.151 -1.107 6.766 1.00 63.23 N ATOM 1824 CA VAL A 107 10.544 -2.221 7.644 1.00 61.43 C ATOM 1825 C VAL A 107 11.636 -3.060 6.959 1.00 63.24 C ATOM 1826 O VAL A 107 11.663 -3.167 5.722 1.00 53.32 O ATOM 1827 CB VAL A 107 9.309 -3.120 8.012 1.00 34.31 C ATOM 1828 CG1 VAL A 107 8.270 -2.330 8.837 1.00 12.20 C ATOM 1829 CG2 VAL A 107 8.655 -3.730 6.761 1.00 73.10 C ATOM 0 H VAL A 107 9.982 -1.392 5.801 1.00 63.23 H new ATOM 0 HA VAL A 107 10.938 -1.807 8.572 1.00 61.43 H new ATOM 0 HB VAL A 107 9.682 -3.941 8.625 1.00 34.31 H new ATOM 0 HG11 VAL A 107 7.427 -2.978 9.077 1.00 12.20 H new ATOM 0 HG12 VAL A 107 8.730 -1.977 9.760 1.00 12.20 H new ATOM 0 HG13 VAL A 107 7.918 -1.476 8.258 1.00 12.20 H new ATOM 0 HG21 VAL A 107 7.805 -4.345 7.058 1.00 73.10 H new ATOM 0 HG22 VAL A 107 8.313 -2.931 6.103 1.00 73.10 H new ATOM 0 HG23 VAL A 107 9.383 -4.347 6.234 1.00 73.10 H new ATOM 1839 N THR A 108 12.536 -3.644 7.771 1.00 10.42 N ATOM 1840 CA THR A 108 13.628 -4.496 7.271 1.00 22.13 C ATOM 1841 C THR A 108 13.099 -5.906 6.995 1.00 61.04 C ATOM 1842 O THR A 108 13.426 -6.529 5.978 1.00 33.53 O ATOM 1843 CB THR A 108 14.808 -4.609 8.297 1.00 42.41 C ATOM 1844 OG1 THR A 108 15.147 -3.316 8.811 1.00 41.12 O ATOM 1845 CG2 THR A 108 16.053 -5.258 7.648 1.00 53.35 C ATOM 0 H THR A 108 12.527 -3.539 8.786 1.00 10.42 H new ATOM 0 HA THR A 108 14.003 -4.032 6.359 1.00 22.13 H new ATOM 0 HB THR A 108 14.477 -5.246 9.117 1.00 42.41 H new ATOM 0 HG1 THR A 108 15.486 -2.753 8.084 1.00 41.12 H new ATOM 0 HG21 THR A 108 16.855 -5.323 8.384 1.00 53.35 H new ATOM 0 HG22 THR A 108 15.801 -6.259 7.297 1.00 53.35 H new ATOM 0 HG23 THR A 108 16.382 -4.650 6.805 1.00 53.35 H new ATOM 1853 N ASP A 109 12.279 -6.392 7.928 1.00 55.30 N ATOM 1854 CA ASP A 109 11.776 -7.768 7.915 1.00 35.42 C ATOM 1855 C ASP A 109 10.343 -7.829 7.385 1.00 22.34 C ATOM 1856 O ASP A 109 9.548 -6.888 7.545 1.00 22.21 O ATOM 1857 CB ASP A 109 11.843 -8.396 9.340 1.00 43.34 C ATOM 1858 CG ASP A 109 11.971 -9.939 9.317 1.00 43.03 C ATOM 1859 OD1 ASP A 109 11.002 -10.630 8.969 1.00 32.10 O ATOM 1860 OD2 ASP A 109 13.062 -10.462 9.606 1.00 50.34 O ATOM 0 H ASP A 109 11.943 -5.841 8.718 1.00 55.30 H new ATOM 0 HA ASP A 109 12.415 -8.344 7.246 1.00 35.42 H new ATOM 0 HB2 ASP A 109 12.693 -7.975 9.877 1.00 43.34 H new ATOM 0 HB3 ASP A 109 10.947 -8.120 9.895 1.00 43.34 H new ATOM 1865 N ASP A 110 10.051 -8.979 6.794 1.00 41.15 N ATOM 1866 CA ASP A 110 8.759 -9.334 6.214 1.00 60.10 C ATOM 1867 C ASP A 110 7.648 -9.412 7.291 1.00 4.21 C ATOM 1868 O ASP A 110 6.487 -9.086 7.022 1.00 71.25 O ATOM 1869 CB ASP A 110 8.910 -10.693 5.481 1.00 20.21 C ATOM 1870 CG ASP A 110 10.030 -10.707 4.412 1.00 61.13 C ATOM 1871 OD1 ASP A 110 11.229 -10.693 4.791 1.00 13.14 O ATOM 1872 OD2 ASP A 110 9.725 -10.760 3.195 1.00 4.24 O ATOM 0 H ASP A 110 10.739 -9.726 6.700 1.00 41.15 H new ATOM 0 HA ASP A 110 8.458 -8.558 5.510 1.00 60.10 H new ATOM 0 HB2 ASP A 110 9.113 -11.471 6.217 1.00 20.21 H new ATOM 0 HB3 ASP A 110 7.963 -10.945 5.004 1.00 20.21 H new ATOM 1877 N GLU A 111 8.034 -9.835 8.520 1.00 11.34 N ATOM 1878 CA GLU A 111 7.102 -10.000 9.660 1.00 40.34 C ATOM 1879 C GLU A 111 6.626 -8.637 10.206 1.00 43.42 C ATOM 1880 O GLU A 111 5.492 -8.514 10.686 1.00 53.13 O ATOM 1881 CB GLU A 111 7.764 -10.826 10.797 1.00 44.33 C ATOM 1882 CG GLU A 111 8.939 -10.131 11.525 1.00 52.33 C ATOM 1883 CD GLU A 111 9.572 -10.999 12.622 1.00 20.14 C ATOM 1884 OE1 GLU A 111 10.495 -11.789 12.318 1.00 21.41 O ATOM 1885 OE2 GLU A 111 9.138 -10.905 13.793 1.00 54.52 O ATOM 0 H GLU A 111 9.000 -10.071 8.747 1.00 11.34 H new ATOM 0 HA GLU A 111 6.230 -10.540 9.291 1.00 40.34 H new ATOM 0 HB2 GLU A 111 7.000 -11.076 11.533 1.00 44.33 H new ATOM 0 HB3 GLU A 111 8.123 -11.766 10.378 1.00 44.33 H new ATOM 0 HG2 GLU A 111 9.704 -9.865 10.795 1.00 52.33 H new ATOM 0 HG3 GLU A 111 8.584 -9.200 11.967 1.00 52.33 H new ATOM 1892 N GLU A 112 7.513 -7.620 10.127 1.00 72.10 N ATOM 1893 CA GLU A 112 7.226 -6.263 10.626 1.00 21.41 C ATOM 1894 C GLU A 112 6.174 -5.577 9.735 1.00 1.55 C ATOM 1895 O GLU A 112 5.382 -4.757 10.213 1.00 55.42 O ATOM 1896 CB GLU A 112 8.518 -5.416 10.686 1.00 13.31 C ATOM 1897 CG GLU A 112 9.685 -6.042 11.468 1.00 2.21 C ATOM 1898 CD GLU A 112 10.905 -5.107 11.534 1.00 14.34 C ATOM 1899 OE1 GLU A 112 11.603 -4.947 10.505 1.00 61.53 O ATOM 1900 OE2 GLU A 112 11.146 -4.496 12.596 1.00 53.45 O ATOM 0 H GLU A 112 8.442 -7.719 9.717 1.00 72.10 H new ATOM 0 HA GLU A 112 6.826 -6.347 11.637 1.00 21.41 H new ATOM 0 HB2 GLU A 112 8.851 -5.220 9.667 1.00 13.31 H new ATOM 0 HB3 GLU A 112 8.279 -4.452 11.134 1.00 13.31 H new ATOM 0 HG2 GLU A 112 9.356 -6.280 12.480 1.00 2.21 H new ATOM 0 HG3 GLU A 112 9.974 -6.982 10.997 1.00 2.21 H new ATOM 1907 N ALA A 113 6.184 -5.935 8.434 1.00 63.24 N ATOM 1908 CA ALA A 113 5.149 -5.510 7.475 1.00 21.42 C ATOM 1909 C ALA A 113 3.767 -6.052 7.897 1.00 62.32 C ATOM 1910 O ALA A 113 2.791 -5.301 7.930 1.00 31.42 O ATOM 1911 CB ALA A 113 5.508 -5.964 6.052 1.00 43.31 C ATOM 0 H ALA A 113 6.908 -6.524 8.022 1.00 63.24 H new ATOM 0 HA ALA A 113 5.102 -4.421 7.477 1.00 21.42 H new ATOM 0 HB1 ALA A 113 4.731 -5.640 5.360 1.00 43.31 H new ATOM 0 HB2 ALA A 113 6.461 -5.524 5.759 1.00 43.31 H new ATOM 0 HB3 ALA A 113 5.587 -7.051 6.026 1.00 43.31 H new ATOM 1917 N LEU A 114 3.727 -7.345 8.301 1.00 5.15 N ATOM 1918 CA LEU A 114 2.486 -8.049 8.715 1.00 43.21 C ATOM 1919 C LEU A 114 1.909 -7.424 10.002 1.00 25.53 C ATOM 1920 O LEU A 114 0.687 -7.410 10.217 1.00 32.45 O ATOM 1921 CB LEU A 114 2.802 -9.554 8.968 1.00 43.44 C ATOM 1922 CG LEU A 114 3.327 -10.363 7.739 1.00 14.03 C ATOM 1923 CD1 LEU A 114 3.871 -11.750 8.157 1.00 14.23 C ATOM 1924 CD2 LEU A 114 2.230 -10.497 6.667 1.00 33.44 C ATOM 0 H LEU A 114 4.559 -7.933 8.349 1.00 5.15 H new ATOM 0 HA LEU A 114 1.749 -7.953 7.918 1.00 43.21 H new ATOM 0 HB2 LEU A 114 3.544 -9.620 9.764 1.00 43.44 H new ATOM 0 HB3 LEU A 114 1.897 -10.037 9.335 1.00 43.44 H new ATOM 0 HG LEU A 114 4.160 -9.807 7.308 1.00 14.03 H new ATOM 0 HD11 LEU A 114 4.227 -12.282 7.275 1.00 14.23 H new ATOM 0 HD12 LEU A 114 4.694 -11.621 8.860 1.00 14.23 H new ATOM 0 HD13 LEU A 114 3.076 -12.325 8.631 1.00 14.23 H new ATOM 0 HD21 LEU A 114 2.616 -11.064 5.820 1.00 33.44 H new ATOM 0 HD22 LEU A 114 1.370 -11.017 7.089 1.00 33.44 H new ATOM 0 HD23 LEU A 114 1.926 -9.505 6.332 1.00 33.44 H new ATOM 1936 N LYS A 115 2.829 -6.931 10.850 1.00 14.15 N ATOM 1937 CA LYS A 115 2.512 -6.289 12.130 1.00 54.14 C ATOM 1938 C LYS A 115 1.754 -4.964 11.897 1.00 22.12 C ATOM 1939 O LYS A 115 0.694 -4.729 12.494 1.00 11.51 O ATOM 1940 CB LYS A 115 3.838 -6.046 12.912 1.00 4.43 C ATOM 1941 CG LYS A 115 3.679 -5.354 14.284 1.00 63.42 C ATOM 1942 CD LYS A 115 2.870 -6.188 15.303 1.00 63.44 C ATOM 1943 CE LYS A 115 3.583 -7.484 15.719 1.00 72.11 C ATOM 1944 NZ LYS A 115 2.749 -8.295 16.642 1.00 52.24 N ATOM 0 H LYS A 115 3.830 -6.970 10.658 1.00 14.15 H new ATOM 0 HA LYS A 115 1.863 -6.938 12.718 1.00 54.14 H new ATOM 0 HB2 LYS A 115 4.332 -7.006 13.063 1.00 4.43 H new ATOM 0 HB3 LYS A 115 4.500 -5.440 12.293 1.00 4.43 H new ATOM 0 HG2 LYS A 115 4.667 -5.150 14.696 1.00 63.42 H new ATOM 0 HG3 LYS A 115 3.188 -4.391 14.142 1.00 63.42 H new ATOM 0 HD2 LYS A 115 2.680 -5.583 16.190 1.00 63.44 H new ATOM 0 HD3 LYS A 115 1.900 -6.436 14.873 1.00 63.44 H new ATOM 0 HE2 LYS A 115 3.820 -8.071 14.831 1.00 72.11 H new ATOM 0 HE3 LYS A 115 4.529 -7.240 16.202 1.00 72.11 H new ATOM 0 HZ1 LYS A 115 3.261 -9.162 16.902 1.00 52.24 H new ATOM 0 HZ2 LYS A 115 2.544 -7.744 17.500 1.00 52.24 H new ATOM 0 HZ3 LYS A 115 1.857 -8.548 16.172 1.00 52.24 H new ATOM 1958 N ILE A 116 2.298 -4.140 10.979 1.00 25.43 N ATOM 1959 CA ILE A 116 1.780 -2.791 10.674 1.00 21.04 C ATOM 1960 C ILE A 116 0.440 -2.856 9.899 1.00 10.32 C ATOM 1961 O ILE A 116 -0.379 -1.938 10.010 1.00 50.00 O ATOM 1962 CB ILE A 116 2.869 -1.943 9.898 1.00 3.34 C ATOM 1963 CG1 ILE A 116 4.129 -1.736 10.806 1.00 61.35 C ATOM 1964 CG2 ILE A 116 2.318 -0.586 9.385 1.00 72.22 C ATOM 1965 CD1 ILE A 116 5.246 -0.910 10.185 1.00 23.54 C ATOM 0 H ILE A 116 3.115 -4.394 10.424 1.00 25.43 H new ATOM 0 HA ILE A 116 1.571 -2.286 11.617 1.00 21.04 H new ATOM 0 HB ILE A 116 3.155 -2.508 9.011 1.00 3.34 H new ATOM 0 HG12 ILE A 116 3.815 -1.255 11.732 1.00 61.35 H new ATOM 0 HG13 ILE A 116 4.528 -2.714 11.075 1.00 61.35 H new ATOM 0 HG21 ILE A 116 3.108 -0.047 8.861 1.00 72.22 H new ATOM 0 HG22 ILE A 116 1.487 -0.765 8.703 1.00 72.22 H new ATOM 0 HG23 ILE A 116 1.972 0.009 10.230 1.00 72.22 H new ATOM 0 HD11 ILE A 116 6.071 -0.825 10.892 1.00 23.54 H new ATOM 0 HD12 ILE A 116 5.596 -1.397 9.275 1.00 23.54 H new ATOM 0 HD13 ILE A 116 4.872 0.085 9.943 1.00 23.54 H new ATOM 1977 N VAL A 117 0.214 -3.954 9.138 1.00 61.44 N ATOM 1978 CA VAL A 117 -1.079 -4.214 8.460 1.00 23.34 C ATOM 1979 C VAL A 117 -2.241 -4.226 9.491 1.00 24.22 C ATOM 1980 O VAL A 117 -3.298 -3.621 9.262 1.00 51.34 O ATOM 1981 CB VAL A 117 -1.053 -5.575 7.649 1.00 55.22 C ATOM 1982 CG1 VAL A 117 -2.455 -5.956 7.114 1.00 21.35 C ATOM 1983 CG2 VAL A 117 -0.035 -5.510 6.483 1.00 41.01 C ATOM 0 H VAL A 117 0.915 -4.677 8.978 1.00 61.44 H new ATOM 0 HA VAL A 117 -1.243 -3.405 7.748 1.00 23.34 H new ATOM 0 HB VAL A 117 -0.739 -6.352 8.345 1.00 55.22 H new ATOM 0 HG11 VAL A 117 -2.392 -6.895 6.564 1.00 21.35 H new ATOM 0 HG12 VAL A 117 -3.145 -6.071 7.950 1.00 21.35 H new ATOM 0 HG13 VAL A 117 -2.817 -5.171 6.450 1.00 21.35 H new ATOM 0 HG21 VAL A 117 -0.038 -6.457 5.944 1.00 41.01 H new ATOM 0 HG22 VAL A 117 -0.312 -4.704 5.803 1.00 41.01 H new ATOM 0 HG23 VAL A 117 0.962 -5.322 6.881 1.00 41.01 H new ATOM 1993 N ARG A 118 -2.005 -4.902 10.634 1.00 2.25 N ATOM 1994 CA ARG A 118 -2.992 -5.017 11.728 1.00 41.33 C ATOM 1995 C ARG A 118 -3.160 -3.666 12.465 1.00 11.13 C ATOM 1996 O ARG A 118 -4.288 -3.253 12.774 1.00 42.24 O ATOM 1997 CB ARG A 118 -2.566 -6.132 12.730 1.00 43.23 C ATOM 1998 CG ARG A 118 -2.456 -7.555 12.120 1.00 50.41 C ATOM 1999 CD ARG A 118 -2.007 -8.606 13.158 1.00 44.42 C ATOM 2000 NE ARG A 118 -1.926 -9.972 12.600 1.00 22.34 N ATOM 2001 CZ ARG A 118 -1.546 -11.071 13.289 1.00 32.04 C ATOM 2002 NH1 ARG A 118 -1.193 -10.991 14.569 1.00 1.41 N ATOM 2003 NH2 ARG A 118 -1.510 -12.246 12.674 1.00 61.00 N ATOM 0 H ARG A 118 -1.126 -5.383 10.825 1.00 2.25 H new ATOM 0 HA ARG A 118 -3.953 -5.288 11.291 1.00 41.33 H new ATOM 0 HB2 ARG A 118 -1.602 -5.863 13.162 1.00 43.23 H new ATOM 0 HB3 ARG A 118 -3.286 -6.158 13.548 1.00 43.23 H new ATOM 0 HG2 ARG A 118 -3.422 -7.846 11.706 1.00 50.41 H new ATOM 0 HG3 ARG A 118 -1.747 -7.539 11.293 1.00 50.41 H new ATOM 0 HD2 ARG A 118 -1.032 -8.323 13.554 1.00 44.42 H new ATOM 0 HD3 ARG A 118 -2.705 -8.602 13.995 1.00 44.42 H new ATOM 0 HE ARG A 118 -2.176 -10.095 11.619 1.00 22.34 H new ATOM 0 HH11 ARG A 118 -1.206 -10.090 15.046 1.00 1.41 H new ATOM 0 HH12 ARG A 118 -0.909 -11.831 15.073 1.00 1.41 H new ATOM 0 HH21 ARG A 118 -1.768 -12.314 11.689 1.00 61.00 H new ATOM 0 HH22 ARG A 118 -1.225 -13.081 13.186 1.00 61.00 H new ATOM 2017 N GLU A 119 -2.016 -3.002 12.748 1.00 63.00 N ATOM 2018 CA GLU A 119 -1.980 -1.688 13.429 1.00 61.31 C ATOM 2019 C GLU A 119 -2.739 -0.602 12.641 1.00 33.14 C ATOM 2020 O GLU A 119 -3.398 0.239 13.239 1.00 0.12 O ATOM 2021 CB GLU A 119 -0.520 -1.242 13.673 1.00 73.11 C ATOM 2022 CG GLU A 119 0.274 -2.158 14.631 1.00 20.34 C ATOM 2023 CD GLU A 119 1.707 -1.687 14.945 1.00 21.01 C ATOM 2024 OE1 GLU A 119 2.068 -0.525 14.624 1.00 33.03 O ATOM 2025 OE2 GLU A 119 2.476 -2.473 15.539 1.00 73.32 O ATOM 0 H GLU A 119 -1.092 -3.362 12.510 1.00 63.00 H new ATOM 0 HA GLU A 119 -2.484 -1.812 14.387 1.00 61.31 H new ATOM 0 HB2 GLU A 119 -0.001 -1.200 12.716 1.00 73.11 H new ATOM 0 HB3 GLU A 119 -0.525 -0.230 14.078 1.00 73.11 H new ATOM 0 HG2 GLU A 119 -0.277 -2.244 15.567 1.00 20.34 H new ATOM 0 HG3 GLU A 119 0.323 -3.157 14.197 1.00 20.34 H new ATOM 2032 N PHE A 120 -2.636 -0.643 11.305 1.00 51.20 N ATOM 2033 CA PHE A 120 -3.353 0.274 10.391 1.00 51.23 C ATOM 2034 C PHE A 120 -4.864 0.329 10.712 1.00 45.12 C ATOM 2035 O PHE A 120 -5.449 1.408 10.852 1.00 63.44 O ATOM 2036 CB PHE A 120 -3.128 -0.197 8.922 1.00 65.12 C ATOM 2037 CG PHE A 120 -4.000 0.503 7.879 1.00 15.13 C ATOM 2038 CD1 PHE A 120 -3.643 1.749 7.372 1.00 65.03 C ATOM 2039 CD2 PHE A 120 -5.190 -0.082 7.420 1.00 44.32 C ATOM 2040 CE1 PHE A 120 -4.436 2.381 6.435 1.00 42.20 C ATOM 2041 CE2 PHE A 120 -5.978 0.553 6.489 1.00 52.33 C ATOM 2042 CZ PHE A 120 -5.603 1.783 6.003 1.00 1.52 C ATOM 0 H PHE A 120 -2.048 -1.319 10.818 1.00 51.20 H new ATOM 0 HA PHE A 120 -2.957 1.281 10.524 1.00 51.23 H new ATOM 0 HB2 PHE A 120 -2.081 -0.041 8.662 1.00 65.12 H new ATOM 0 HB3 PHE A 120 -3.313 -1.270 8.868 1.00 65.12 H new ATOM 0 HD1 PHE A 120 -2.737 2.226 7.715 1.00 65.03 H new ATOM 0 HD2 PHE A 120 -5.492 -1.045 7.804 1.00 44.32 H new ATOM 0 HE1 PHE A 120 -4.144 3.343 6.040 1.00 42.20 H new ATOM 0 HE2 PHE A 120 -6.888 0.087 6.141 1.00 52.33 H new ATOM 0 HZ PHE A 120 -6.226 2.285 5.278 1.00 1.52 H new ATOM 2052 N MET A 121 -5.452 -0.859 10.847 1.00 14.15 N ATOM 2053 CA MET A 121 -6.909 -1.056 10.954 1.00 61.25 C ATOM 2054 C MET A 121 -7.515 -0.418 12.228 1.00 32.31 C ATOM 2055 O MET A 121 -8.707 -0.083 12.253 1.00 65.20 O ATOM 2056 CB MET A 121 -7.201 -2.578 10.864 1.00 2.03 C ATOM 2057 CG MET A 121 -6.647 -3.218 9.574 1.00 62.22 C ATOM 2058 SD MET A 121 -6.996 -4.979 9.417 1.00 23.22 S ATOM 2059 CE MET A 121 -6.241 -5.321 7.822 1.00 33.53 C ATOM 0 H MET A 121 -4.925 -1.732 10.886 1.00 14.15 H new ATOM 0 HA MET A 121 -7.397 -0.538 10.128 1.00 61.25 H new ATOM 0 HB2 MET A 121 -6.765 -3.079 11.729 1.00 2.03 H new ATOM 0 HB3 MET A 121 -8.278 -2.740 10.911 1.00 2.03 H new ATOM 0 HG2 MET A 121 -7.067 -2.697 8.714 1.00 62.22 H new ATOM 0 HG3 MET A 121 -5.568 -3.068 9.541 1.00 62.22 H new ATOM 0 HE1 MET A 121 -6.260 -6.394 7.633 1.00 33.53 H new ATOM 0 HE2 MET A 121 -6.796 -4.805 7.039 1.00 33.53 H new ATOM 0 HE3 MET A 121 -5.209 -4.971 7.826 1.00 33.53 H new ATOM 2069 N GLN A 122 -6.684 -0.249 13.276 1.00 40.41 N ATOM 2070 CA GLN A 122 -7.092 0.385 14.553 1.00 3.24 C ATOM 2071 C GLN A 122 -6.654 1.872 14.622 1.00 2.44 C ATOM 2072 O GLN A 122 -7.344 2.700 15.226 1.00 55.32 O ATOM 2073 CB GLN A 122 -6.512 -0.435 15.739 1.00 21.40 C ATOM 2074 CG GLN A 122 -4.981 -0.613 15.727 1.00 42.30 C ATOM 2075 CD GLN A 122 -4.458 -1.564 16.803 1.00 50.11 C ATOM 2076 OE1 GLN A 122 -4.120 -1.151 17.913 1.00 35.41 O ATOM 2077 NE2 GLN A 122 -4.394 -2.850 16.487 1.00 42.24 N ATOM 0 H GLN A 122 -5.709 -0.548 13.264 1.00 40.41 H new ATOM 0 HA GLN A 122 -8.180 0.381 14.616 1.00 3.24 H new ATOM 0 HB2 GLN A 122 -6.798 0.053 16.671 1.00 21.40 H new ATOM 0 HB3 GLN A 122 -6.976 -1.421 15.740 1.00 21.40 H new ATOM 0 HG2 GLN A 122 -4.676 -0.985 14.749 1.00 42.30 H new ATOM 0 HG3 GLN A 122 -4.511 0.362 15.858 1.00 42.30 H new ATOM 0 HE21 GLN A 122 -4.681 -3.162 15.559 1.00 42.24 H new ATOM 0 HE22 GLN A 122 -4.058 -3.527 17.172 1.00 42.24 H new