USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 814 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 67 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 80 MET CE :methyl -111:sc= -1.33 (180deg=-3.34!) USER MOD Set 2.1: A 19 THR OG1 : rot -164:sc= 0.259 USER MOD Set 2.2: A 31 ASN : amide:sc= -4.78! C(o=-4.5!,f=-9.1!) USER MOD Set 3.1: A 17 CYS SG : rot 180:sc= -4.22! USER MOD Set 3.2: A 28 THR OG1 : rot -179:sc= -0.786 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.227) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 144:sc= 0 (180deg=-1.63) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.00386 USER MOD Single : A 15 SER OG : rot 180:sc= 0.239 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 18 HIS : no HE2:sc= -4.24! C(o=-4.2!,f=-10!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -3.89! X(o=-3.9!,f=-4) USER MOD Single : A 27 LYS NZ :NH3+ -112:sc= -1.53 (180deg=-3.27!) USER MOD Single : A 33 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-3.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 147:sc= 0.884 USER MOD Single : A 42 GLN : amide:sc= 0.343 K(o=0.34,f=-0.92) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -5.4! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 52 ASN : amide:sc= -0.804 K(o=-0.8,f=-0.065) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -3.99! K(o=-4!,f=-1.8) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -104:sc= -0.163 USER MOD Single : A 65 MET CE :methyl -125:sc= -0.39 (180deg=-1.6) USER MOD Single : A 70 ASN : amide:sc= -2.58! C(o=-2.6!,f=-2.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00741) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 79 LYS NZ :NH3+ -117:sc= -1.52! (180deg=-3.84!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -123:sc= -2.39! (180deg=-4.73!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -160:sc= 0.0449 USER MOD Single : A 99 LYS NZ :NH3+ -154:sc= -0.0451! (180deg=-2.89!) USER MOD Single : A 100 LYS NZ :NH3+ -152:sc= -0.207 (180deg=-0.851) USER MOD Single : A 102 THR OG1 : rot -75:sc= 0.365 USER MOD Single : A 103 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.468 1.245 -0.776 1.00 24.45 N ATOM 2 CA GLY A 1 2.263 0.691 -1.859 1.00 4.32 C ATOM 3 C GLY A 1 1.903 -0.775 -2.110 1.00 34.12 C ATOM 4 O GLY A 1 2.115 -1.626 -1.247 1.00 52.20 O ATOM 0 H1 GLY A 1 1.731 2.240 -0.626 1.00 24.45 H new ATOM 0 H2 GLY A 1 0.459 1.187 -1.021 1.00 24.45 H new ATOM 0 H3 GLY A 1 1.644 0.705 0.095 1.00 24.45 H new ATOM 0 HA2 GLY A 1 2.099 1.270 -2.768 1.00 4.32 H new ATOM 0 HA3 GLY A 1 3.322 0.772 -1.616 1.00 4.32 H new ATOM 8 N ASP A 2 1.362 -1.024 -3.293 1.00 42.55 N ATOM 9 CA ASP A 2 0.969 -2.372 -3.668 1.00 3.31 C ATOM 10 C ASP A 2 2.222 -3.197 -3.973 1.00 4.41 C ATOM 11 O ASP A 2 3.339 -2.694 -3.876 1.00 51.34 O ATOM 12 CB ASP A 2 0.093 -2.362 -4.921 1.00 52.41 C ATOM 13 CG ASP A 2 -0.817 -3.581 -5.084 1.00 63.04 C ATOM 14 OD1 ASP A 2 -0.791 -4.265 -6.119 1.00 4.01 O ATOM 15 OD2 ASP A 2 -1.589 -3.823 -4.079 1.00 63.42 O1- ATOM 0 H ASP A 2 1.186 -0.315 -4.005 1.00 42.55 H new ATOM 0 HA ASP A 2 0.407 -2.802 -2.839 1.00 3.31 H new ATOM 0 HB2 ASP A 2 -0.526 -1.465 -4.906 1.00 52.41 H new ATOM 0 HB3 ASP A 2 0.738 -2.290 -5.796 1.00 52.41 H new ATOM 21 N VAL A 3 1.992 -4.450 -4.336 1.00 75.13 N ATOM 22 CA VAL A 3 3.087 -5.350 -4.655 1.00 75.34 C ATOM 23 C VAL A 3 2.998 -5.752 -6.129 1.00 13.43 C ATOM 24 O VAL A 3 3.970 -5.623 -6.872 1.00 74.44 O ATOM 25 CB VAL A 3 3.074 -6.550 -3.706 1.00 52.14 C ATOM 26 CG1 VAL A 3 1.647 -6.884 -3.266 1.00 34.45 C ATOM 27 CG2 VAL A 3 3.748 -7.764 -4.347 1.00 44.44 C ATOM 0 H VAL A 3 1.063 -4.863 -4.416 1.00 75.13 H new ATOM 0 HA VAL A 3 4.045 -4.851 -4.511 1.00 75.34 H new ATOM 0 HB VAL A 3 3.645 -6.281 -2.818 1.00 52.14 H new ATOM 0 HG11 VAL A 3 1.665 -7.740 -2.592 1.00 34.45 H new ATOM 0 HG12 VAL A 3 1.215 -6.026 -2.751 1.00 34.45 H new ATOM 0 HG13 VAL A 3 1.043 -7.124 -4.141 1.00 34.45 H new ATOM 0 HG21 VAL A 3 3.725 -8.603 -3.651 1.00 44.44 H new ATOM 0 HG22 VAL A 3 3.217 -8.035 -5.260 1.00 44.44 H new ATOM 0 HG23 VAL A 3 4.783 -7.521 -4.588 1.00 44.44 H new ATOM 37 N GLU A 4 1.822 -6.231 -6.508 1.00 51.25 N ATOM 38 CA GLU A 4 1.593 -6.653 -7.880 1.00 54.55 C ATOM 39 C GLU A 4 2.103 -5.590 -8.854 1.00 41.14 C ATOM 40 O GLU A 4 2.607 -5.918 -9.927 1.00 54.03 O ATOM 41 CB GLU A 4 0.111 -6.953 -8.121 1.00 30.12 C ATOM 42 CG GLU A 4 -0.384 -8.055 -7.183 1.00 30.34 C ATOM 43 CD GLU A 4 -1.598 -8.774 -7.777 1.00 64.34 C ATOM 44 OE1 GLU A 4 -1.470 -9.908 -8.264 1.00 52.43 O ATOM 45 OE2 GLU A 4 -2.705 -8.115 -7.719 1.00 73.12 O1- ATOM 0 H GLU A 4 1.018 -6.336 -5.889 1.00 51.25 H new ATOM 0 HA GLU A 4 2.149 -7.574 -8.054 1.00 54.55 H new ATOM 0 HB2 GLU A 4 -0.477 -6.048 -7.967 1.00 30.12 H new ATOM 0 HB3 GLU A 4 -0.038 -7.258 -9.157 1.00 30.12 H new ATOM 0 HG2 GLU A 4 0.417 -8.772 -7.004 1.00 30.34 H new ATOM 0 HG3 GLU A 4 -0.648 -7.624 -6.217 1.00 30.34 H new ATOM 53 N LYS A 5 1.955 -4.339 -8.446 1.00 75.51 N ATOM 54 CA LYS A 5 2.394 -3.225 -9.270 1.00 13.03 C ATOM 55 C LYS A 5 3.920 -3.249 -9.380 1.00 44.51 C ATOM 56 O LYS A 5 4.476 -2.915 -10.425 1.00 62.31 O ATOM 57 CB LYS A 5 1.836 -1.907 -8.731 1.00 32.11 C ATOM 58 CG LYS A 5 0.474 -1.592 -9.353 1.00 40.51 C ATOM 59 CD LYS A 5 0.637 -0.944 -10.730 1.00 51.43 C ATOM 60 CE LYS A 5 0.734 -2.006 -11.827 1.00 34.33 C ATOM 61 NZ LYS A 5 0.194 -1.484 -13.102 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.537 -4.071 -7.555 1.00 75.51 H new ATOM 0 HA LYS A 5 2.000 -3.320 -10.282 1.00 13.03 H new ATOM 0 HB2 LYS A 5 1.740 -1.965 -7.647 1.00 32.11 H new ATOM 0 HB3 LYS A 5 2.534 -1.098 -8.946 1.00 32.11 H new ATOM 0 HG2 LYS A 5 -0.109 -2.509 -9.445 1.00 40.51 H new ATOM 0 HG3 LYS A 5 -0.084 -0.924 -8.697 1.00 40.51 H new ATOM 0 HD2 LYS A 5 -0.209 -0.287 -10.929 1.00 51.43 H new ATOM 0 HD3 LYS A 5 1.533 -0.323 -10.740 1.00 51.43 H new ATOM 0 HE2 LYS A 5 1.774 -2.305 -11.961 1.00 34.33 H new ATOM 0 HE3 LYS A 5 0.182 -2.897 -11.529 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 0.267 -2.217 -13.836 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -0.804 -1.220 -12.974 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 0.739 -0.647 -13.393 1.00 61.11 H new ATOM 74 N GLY A 6 4.553 -3.647 -8.286 1.00 33.14 N ATOM 75 CA GLY A 6 6.004 -3.719 -8.247 1.00 41.25 C ATOM 76 C GLY A 6 6.497 -5.103 -8.671 1.00 61.35 C ATOM 77 O GLY A 6 7.689 -5.298 -8.903 1.00 72.04 O ATOM 0 H GLY A 6 4.088 -3.923 -7.421 1.00 33.14 H new ATOM 0 HA2 GLY A 6 6.427 -2.961 -8.906 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.355 -3.497 -7.239 1.00 41.25 H new ATOM 81 N LYS A 7 5.554 -6.030 -8.758 1.00 54.25 N ATOM 82 CA LYS A 7 5.877 -7.392 -9.149 1.00 13.43 C ATOM 83 C LYS A 7 6.210 -7.423 -10.643 1.00 11.22 C ATOM 84 O LYS A 7 6.881 -8.340 -11.113 1.00 40.24 O ATOM 85 CB LYS A 7 4.749 -8.346 -8.751 1.00 12.01 C ATOM 86 CG LYS A 7 5.215 -9.803 -8.819 1.00 61.14 C ATOM 87 CD LYS A 7 4.497 -10.656 -7.771 1.00 21.42 C ATOM 88 CE LYS A 7 4.385 -12.110 -8.230 1.00 53.44 C ATOM 89 NZ LYS A 7 3.615 -12.907 -7.250 1.00 74.43 N1+ ATOM 0 H LYS A 7 4.566 -5.865 -8.564 1.00 54.25 H new ATOM 0 HA LYS A 7 6.761 -7.742 -8.617 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.412 -8.115 -7.741 1.00 12.01 H new ATOM 0 HB3 LYS A 7 3.895 -8.202 -9.413 1.00 12.01 H new ATOM 0 HG2 LYS A 7 5.023 -10.204 -9.814 1.00 61.14 H new ATOM 0 HG3 LYS A 7 6.292 -9.852 -8.658 1.00 61.14 H new ATOM 0 HD2 LYS A 7 5.039 -10.610 -6.826 1.00 21.42 H new ATOM 0 HD3 LYS A 7 3.502 -10.251 -7.588 1.00 21.42 H new ATOM 0 HE2 LYS A 7 3.899 -12.153 -9.204 1.00 53.44 H new ATOM 0 HE3 LYS A 7 5.381 -12.536 -8.352 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 3.549 -13.892 -7.578 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 4.095 -12.881 -6.328 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 2.659 -12.510 -7.154 1.00 74.43 H new ATOM 102 N LYS A 8 5.727 -6.409 -11.345 1.00 45.33 N ATOM 103 CA LYS A 8 5.965 -6.309 -12.775 1.00 12.01 C ATOM 104 C LYS A 8 7.301 -5.604 -13.017 1.00 54.24 C ATOM 105 O LYS A 8 8.088 -6.032 -13.861 1.00 40.24 O ATOM 106 CB LYS A 8 4.780 -5.635 -13.470 1.00 14.42 C ATOM 107 CG LYS A 8 3.493 -6.436 -13.259 1.00 34.03 C ATOM 108 CD LYS A 8 3.438 -7.643 -14.196 1.00 33.34 C ATOM 109 CE LYS A 8 2.621 -8.780 -13.579 1.00 60.43 C ATOM 110 NZ LYS A 8 1.315 -8.277 -13.098 1.00 31.43 N1+ ATOM 0 H LYS A 8 5.172 -5.649 -10.951 1.00 45.33 H new ATOM 0 HA LYS A 8 6.042 -7.302 -13.218 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.652 -4.625 -13.081 1.00 14.42 H new ATOM 0 HB3 LYS A 8 4.984 -5.542 -14.537 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.435 -6.772 -12.224 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.629 -5.795 -13.435 1.00 34.03 H new ATOM 0 HD2 LYS A 8 2.997 -7.349 -15.148 1.00 33.34 H new ATOM 0 HD3 LYS A 8 4.449 -7.990 -14.407 1.00 33.34 H new ATOM 0 HE2 LYS A 8 2.465 -9.566 -14.318 1.00 60.43 H new ATOM 0 HE3 LYS A 8 3.173 -9.225 -12.751 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 0.673 -9.079 -12.935 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 1.450 -7.756 -12.208 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 0.903 -7.643 -13.812 1.00 31.43 H new ATOM 123 N ILE A 9 7.516 -4.537 -12.262 1.00 72.22 N ATOM 124 CA ILE A 9 8.743 -3.769 -12.384 1.00 63.35 C ATOM 125 C ILE A 9 9.919 -4.612 -11.886 1.00 74.32 C ATOM 126 O ILE A 9 11.077 -4.273 -12.125 1.00 34.45 O ATOM 127 CB ILE A 9 8.606 -2.423 -11.671 1.00 33.41 C ATOM 128 CG1 ILE A 9 7.550 -1.548 -12.350 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.959 -1.714 -11.571 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.753 -0.749 -11.316 1.00 3.44 C ATOM 0 H ILE A 9 6.861 -4.186 -11.563 1.00 72.22 H new ATOM 0 HA ILE A 9 8.941 -3.531 -13.429 1.00 63.35 H new ATOM 0 HB ILE A 9 8.264 -2.610 -10.653 1.00 33.41 H new ATOM 0 HG12 ILE A 9 8.033 -0.865 -13.049 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.873 -2.174 -12.932 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.833 -0.760 -11.060 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.656 -2.337 -11.010 1.00 10.42 H new ATOM 0 HG23 ILE A 9 10.353 -1.540 -12.572 1.00 10.42 H new ATOM 0 HD11 ILE A 9 6.009 -0.136 -11.825 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.252 -1.435 -10.633 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.429 -0.106 -10.753 1.00 3.44 H new ATOM 142 N PHE A 10 9.580 -5.695 -11.201 1.00 22.51 N ATOM 143 CA PHE A 10 10.594 -6.589 -10.666 1.00 30.30 C ATOM 144 C PHE A 10 11.004 -7.636 -11.704 1.00 54.03 C ATOM 145 O PHE A 10 12.112 -8.169 -11.650 1.00 62.33 O ATOM 146 CB PHE A 10 9.973 -7.298 -9.461 1.00 71.01 C ATOM 147 CG PHE A 10 10.638 -8.632 -9.114 1.00 62.01 C ATOM 148 CD1 PHE A 10 11.808 -8.649 -8.421 1.00 65.44 C ATOM 149 CD2 PHE A 10 10.058 -9.801 -9.498 1.00 53.24 C ATOM 150 CE1 PHE A 10 12.424 -9.887 -8.099 1.00 63.41 C ATOM 151 CE2 PHE A 10 10.675 -11.039 -9.176 1.00 45.31 C ATOM 152 CZ PHE A 10 11.845 -11.055 -8.482 1.00 72.24 C ATOM 0 H PHE A 10 8.619 -5.973 -11.004 1.00 22.51 H new ATOM 0 HA PHE A 10 11.483 -6.022 -10.391 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.031 -6.639 -8.595 1.00 71.01 H new ATOM 0 HB3 PHE A 10 8.915 -7.472 -9.660 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.268 -7.721 -8.116 1.00 65.44 H new ATOM 0 HD2 PHE A 10 9.128 -9.788 -10.048 1.00 53.24 H new ATOM 0 HE1 PHE A 10 13.353 -9.900 -7.549 1.00 63.41 H new ATOM 0 HE2 PHE A 10 10.216 -11.967 -9.482 1.00 45.31 H new ATOM 0 HZ PHE A 10 12.314 -11.996 -8.235 1.00 72.24 H new ATOM 162 N ILE A 11 10.088 -7.900 -12.624 1.00 5.51 N ATOM 163 CA ILE A 11 10.340 -8.874 -13.673 1.00 1.20 C ATOM 164 C ILE A 11 11.130 -8.209 -14.802 1.00 50.30 C ATOM 165 O ILE A 11 12.310 -8.499 -14.993 1.00 63.10 O ATOM 166 CB ILE A 11 9.030 -9.517 -14.134 1.00 12.30 C ATOM 167 CG1 ILE A 11 8.371 -10.297 -12.994 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.253 -10.388 -15.371 1.00 74.44 C ATOM 169 CD1 ILE A 11 6.946 -10.711 -13.366 1.00 31.21 C ATOM 0 H ILE A 11 9.170 -7.457 -12.665 1.00 5.51 H new ATOM 0 HA ILE A 11 10.953 -9.692 -13.294 1.00 1.20 H new ATOM 0 HB ILE A 11 8.341 -8.722 -14.420 1.00 12.30 H new ATOM 0 HG12 ILE A 11 8.963 -11.183 -12.765 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.352 -9.684 -12.093 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.307 -10.833 -15.678 1.00 74.44 H new ATOM 0 HG22 ILE A 11 9.645 -9.775 -16.182 1.00 74.44 H new ATOM 0 HG23 ILE A 11 9.966 -11.178 -15.136 1.00 74.44 H new ATOM 0 HD11 ILE A 11 6.500 -11.264 -12.539 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.350 -9.821 -13.571 1.00 31.21 H new ATOM 0 HD13 ILE A 11 6.971 -11.343 -14.254 1.00 31.21 H new ATOM 181 N MET A 12 10.447 -7.330 -15.520 1.00 24.33 N ATOM 182 CA MET A 12 11.069 -6.621 -16.625 1.00 1.20 C ATOM 183 C MET A 12 12.514 -6.244 -16.290 1.00 33.53 C ATOM 184 O MET A 12 13.361 -6.164 -17.179 1.00 42.35 O ATOM 185 CB MET A 12 10.270 -5.354 -16.934 1.00 60.40 C ATOM 186 CG MET A 12 9.176 -5.634 -17.967 1.00 23.04 C ATOM 187 SD MET A 12 9.890 -5.734 -19.599 1.00 15.25 S ATOM 188 CE MET A 12 9.132 -4.308 -20.358 1.00 65.42 C ATOM 0 H MET A 12 9.468 -7.093 -15.358 1.00 24.33 H new ATOM 0 HA MET A 12 11.076 -7.278 -17.495 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.821 -4.971 -16.018 1.00 60.40 H new ATOM 0 HB3 MET A 12 10.940 -4.580 -17.309 1.00 60.40 H new ATOM 0 HG2 MET A 12 8.667 -6.567 -17.726 1.00 23.04 H new ATOM 0 HG3 MET A 12 8.425 -4.844 -17.937 1.00 23.04 H new ATOM 0 HE1 MET A 12 9.472 -4.221 -21.390 1.00 65.42 H new ATOM 0 HE2 MET A 12 8.048 -4.420 -20.342 1.00 65.42 H new ATOM 0 HE3 MET A 12 9.412 -3.410 -19.807 1.00 65.42 H new ATOM 198 N LYS A 13 12.752 -6.025 -15.005 1.00 62.15 N ATOM 199 CA LYS A 13 14.080 -5.659 -14.542 1.00 62.04 C ATOM 200 C LYS A 13 14.754 -6.884 -13.921 1.00 3.45 C ATOM 201 O LYS A 13 15.751 -7.380 -14.445 1.00 2.42 O ATOM 202 CB LYS A 13 14.006 -4.454 -13.602 1.00 42.23 C ATOM 203 CG LYS A 13 14.170 -3.144 -14.374 1.00 64.41 C ATOM 204 CD LYS A 13 13.731 -1.949 -13.526 1.00 24.41 C ATOM 205 CE LYS A 13 13.220 -0.809 -14.409 1.00 3.12 C ATOM 206 NZ LYS A 13 12.477 0.181 -13.598 1.00 43.44 N1+ ATOM 0 H LYS A 13 12.048 -6.094 -14.270 1.00 62.15 H new ATOM 0 HA LYS A 13 14.702 -5.343 -15.379 1.00 62.04 H new ATOM 0 HB2 LYS A 13 13.050 -4.455 -13.079 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.784 -4.532 -12.843 1.00 42.23 H new ATOM 0 HG2 LYS A 13 15.212 -3.021 -14.671 1.00 64.41 H new ATOM 0 HG3 LYS A 13 13.580 -3.181 -15.290 1.00 64.41 H new ATOM 0 HD2 LYS A 13 12.947 -2.258 -12.834 1.00 24.41 H new ATOM 0 HD3 LYS A 13 14.569 -1.599 -12.923 1.00 24.41 H new ATOM 0 HE2 LYS A 13 14.059 -0.323 -14.908 1.00 3.12 H new ATOM 0 HE3 LYS A 13 12.572 -1.208 -15.190 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 12.657 1.137 -13.966 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 11.458 -0.023 -13.649 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 12.792 0.126 -12.608 1.00 43.44 H new ATOM 219 N CYS A 14 14.185 -7.336 -12.814 1.00 12.24 N ATOM 220 CA CYS A 14 14.718 -8.494 -12.117 1.00 32.54 C ATOM 221 C CYS A 14 13.958 -9.733 -12.592 1.00 32.32 C ATOM 222 O CYS A 14 13.304 -10.408 -11.798 1.00 22.25 O ATOM 223 CB CYS A 14 14.641 -8.324 -10.598 1.00 14.53 C ATOM 224 SG CYS A 14 14.607 -6.588 -10.020 1.00 23.33 S ATOM 0 H CYS A 14 13.359 -6.921 -12.382 1.00 12.24 H new ATOM 0 HA CYS A 14 15.777 -8.607 -12.351 1.00 32.54 H new ATOM 0 HB2 CYS A 14 13.747 -8.831 -10.235 1.00 14.53 H new ATOM 0 HB3 CYS A 14 15.497 -8.826 -10.147 1.00 14.53 H new ATOM 0 HG CYS A 14 14.539 -6.564 -8.722 1.00 23.33 H new ATOM 229 N SER A 15 14.071 -9.997 -13.885 1.00 63.31 N ATOM 230 CA SER A 15 13.401 -11.144 -14.475 1.00 52.21 C ATOM 231 C SER A 15 14.026 -12.439 -13.953 1.00 14.32 C ATOM 232 O SER A 15 13.519 -13.039 -13.005 1.00 24.42 O ATOM 233 CB SER A 15 13.475 -11.098 -16.003 1.00 24.11 C ATOM 234 OG SER A 15 14.760 -10.687 -16.464 1.00 62.04 O ATOM 0 H SER A 15 14.616 -9.437 -14.541 1.00 63.31 H new ATOM 0 HA SER A 15 12.350 -11.113 -14.187 1.00 52.21 H new ATOM 0 HB2 SER A 15 13.243 -12.084 -16.407 1.00 24.11 H new ATOM 0 HB3 SER A 15 12.717 -10.412 -16.382 1.00 24.11 H new ATOM 0 HG SER A 15 14.767 -10.672 -17.444 1.00 62.04 H new ATOM 240 N GLN A 16 15.116 -12.834 -14.593 1.00 3.25 N ATOM 241 CA GLN A 16 15.815 -14.047 -14.205 1.00 0.11 C ATOM 242 C GLN A 16 17.219 -13.713 -13.697 1.00 64.21 C ATOM 243 O GLN A 16 18.207 -14.255 -14.190 1.00 52.24 O ATOM 244 CB GLN A 16 15.875 -15.041 -15.366 1.00 55.01 C ATOM 245 CG GLN A 16 16.068 -14.315 -16.700 1.00 51.45 C ATOM 246 CD GLN A 16 16.185 -15.313 -17.855 1.00 65.25 C ATOM 247 OE1 GLN A 16 15.955 -16.502 -17.708 1.00 12.42 O ATOM 248 NE2 GLN A 16 16.555 -14.764 -19.008 1.00 43.12 N ATOM 0 H GLN A 16 15.533 -12.335 -15.379 1.00 3.25 H new ATOM 0 HA GLN A 16 15.259 -14.518 -13.394 1.00 0.11 H new ATOM 0 HB2 GLN A 16 16.695 -15.742 -15.207 1.00 55.01 H new ATOM 0 HB3 GLN A 16 14.956 -15.627 -15.396 1.00 55.01 H new ATOM 0 HG2 GLN A 16 15.228 -13.644 -16.878 1.00 51.45 H new ATOM 0 HG3 GLN A 16 16.965 -13.697 -16.656 1.00 51.45 H new ATOM 0 HE21 GLN A 16 16.732 -13.761 -19.062 1.00 43.12 H new ATOM 0 HE22 GLN A 16 16.662 -15.346 -19.839 1.00 43.12 H new ATOM 257 N CYS A 17 17.263 -12.821 -12.718 1.00 41.41 N ATOM 258 CA CYS A 17 18.529 -12.407 -12.138 1.00 75.41 C ATOM 259 C CYS A 17 18.440 -12.579 -10.620 1.00 51.53 C ATOM 260 O CYS A 17 19.272 -13.257 -10.019 1.00 52.44 O ATOM 261 CB CYS A 17 18.889 -10.973 -12.531 1.00 31.53 C ATOM 262 SG CYS A 17 20.021 -10.831 -13.962 1.00 22.31 S ATOM 0 H CYS A 17 16.441 -12.373 -12.312 1.00 41.41 H new ATOM 0 HA CYS A 17 19.333 -13.032 -12.527 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.970 -10.432 -12.757 1.00 31.53 H new ATOM 0 HB3 CYS A 17 19.347 -10.480 -11.673 1.00 31.53 H new ATOM 0 HG CYS A 17 20.255 -9.576 -14.207 1.00 22.31 H new ATOM 267 N HIS A 18 17.425 -11.952 -10.044 1.00 64.33 N ATOM 268 CA HIS A 18 17.218 -12.026 -8.608 1.00 50.04 C ATOM 269 C HIS A 18 16.055 -12.973 -8.305 1.00 45.23 C ATOM 270 O HIS A 18 15.213 -13.223 -9.167 1.00 13.43 O ATOM 271 CB HIS A 18 17.016 -10.630 -8.015 1.00 30.21 C ATOM 272 CG HIS A 18 18.300 -9.925 -7.652 1.00 12.01 C ATOM 273 ND1 HIS A 18 19.067 -10.281 -6.557 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.945 -8.882 -8.252 1.00 63.45 C ATOM 275 CE1 HIS A 18 20.123 -9.481 -6.508 1.00 1.34 C ATOM 276 NE2 HIS A 18 20.045 -8.616 -7.559 1.00 4.41 N ATOM 0 H HIS A 18 16.737 -11.390 -10.546 1.00 64.33 H new ATOM 0 HA HIS A 18 18.108 -12.435 -8.130 1.00 50.04 H new ATOM 0 HB2 HIS A 18 16.468 -10.018 -8.731 1.00 30.21 H new ATOM 0 HB3 HIS A 18 16.394 -10.712 -7.124 1.00 30.21 H new ATOM 0 HD1 HIS A 18 18.856 -11.031 -5.899 1.00 53.33 H new ATOM 0 HD2 HIS A 18 18.616 -8.362 -9.140 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.907 -9.509 -5.766 1.00 1.34 H new ATOM 284 N THR A 19 16.045 -13.474 -7.079 1.00 3.13 N ATOM 285 CA THR A 19 14.999 -14.389 -6.653 1.00 10.30 C ATOM 286 C THR A 19 14.413 -13.940 -5.313 1.00 53.54 C ATOM 287 O THR A 19 15.012 -13.127 -4.609 1.00 63.55 O ATOM 288 CB THR A 19 15.590 -15.799 -6.615 1.00 22.40 C ATOM 289 OG1 THR A 19 16.843 -15.633 -5.958 1.00 12.31 O ATOM 290 CG2 THR A 19 15.964 -16.314 -8.006 1.00 53.02 C ATOM 0 H THR A 19 16.744 -13.264 -6.367 1.00 3.13 H new ATOM 0 HA THR A 19 14.165 -14.390 -7.354 1.00 10.30 H new ATOM 0 HB THR A 19 14.874 -16.480 -6.156 1.00 22.40 H new ATOM 0 HG1 THR A 19 17.399 -16.425 -6.110 1.00 12.31 H new ATOM 0 HG21 THR A 19 16.379 -17.319 -7.923 1.00 53.02 H new ATOM 0 HG22 THR A 19 15.075 -16.340 -8.636 1.00 53.02 H new ATOM 0 HG23 THR A 19 16.705 -15.651 -8.452 1.00 53.02 H new ATOM 298 N VAL A 20 13.248 -14.487 -5.000 1.00 23.12 N ATOM 299 CA VAL A 20 12.573 -14.153 -3.756 1.00 24.13 C ATOM 300 C VAL A 20 12.078 -15.438 -3.089 1.00 41.42 C ATOM 301 O VAL A 20 12.361 -15.682 -1.918 1.00 25.44 O ATOM 302 CB VAL A 20 11.452 -13.147 -4.023 1.00 32.22 C ATOM 303 CG1 VAL A 20 12.015 -11.827 -4.551 1.00 62.12 C ATOM 304 CG2 VAL A 20 10.415 -13.725 -4.987 1.00 12.44 C ATOM 0 H VAL A 20 12.753 -15.160 -5.586 1.00 23.12 H new ATOM 0 HA VAL A 20 13.264 -13.673 -3.063 1.00 24.13 H new ATOM 0 HB VAL A 20 10.952 -12.943 -3.076 1.00 32.22 H new ATOM 0 HG11 VAL A 20 11.197 -11.129 -4.733 1.00 62.12 H new ATOM 0 HG12 VAL A 20 12.698 -11.402 -3.815 1.00 62.12 H new ATOM 0 HG13 VAL A 20 12.552 -12.007 -5.482 1.00 62.12 H new ATOM 0 HG21 VAL A 20 9.629 -12.990 -5.160 1.00 12.44 H new ATOM 0 HG22 VAL A 20 10.896 -13.972 -5.934 1.00 12.44 H new ATOM 0 HG23 VAL A 20 9.980 -14.626 -4.556 1.00 12.44 H new ATOM 314 N GLU A 21 11.346 -16.225 -3.864 1.00 11.10 N ATOM 315 CA GLU A 21 10.808 -17.478 -3.363 1.00 25.04 C ATOM 316 C GLU A 21 11.839 -18.184 -2.481 1.00 12.30 C ATOM 317 O GLU A 21 13.024 -18.220 -2.813 1.00 52.20 O ATOM 318 CB GLU A 21 10.360 -18.382 -4.514 1.00 44.12 C ATOM 319 CG GLU A 21 11.564 -18.903 -5.301 1.00 55.24 C ATOM 320 CD GLU A 21 11.130 -19.461 -6.658 1.00 31.53 C ATOM 321 OE1 GLU A 21 11.261 -20.670 -6.902 1.00 42.20 O ATOM 322 OE2 GLU A 21 10.641 -18.590 -7.475 1.00 50.23 O1- ATOM 0 H GLU A 21 11.113 -16.019 -4.835 1.00 11.10 H new ATOM 0 HA GLU A 21 9.930 -17.257 -2.756 1.00 25.04 H new ATOM 0 HB2 GLU A 21 9.787 -19.222 -4.120 1.00 44.12 H new ATOM 0 HB3 GLU A 21 9.698 -17.828 -5.180 1.00 44.12 H new ATOM 0 HG2 GLU A 21 12.284 -18.098 -5.448 1.00 55.24 H new ATOM 0 HG3 GLU A 21 12.069 -19.681 -4.728 1.00 55.24 H new ATOM 365 N LYS A 25 17.069 -20.072 -5.427 1.00 43.10 N ATOM 366 CA LYS A 25 18.520 -20.081 -5.359 1.00 25.50 C ATOM 367 C LYS A 25 19.067 -18.842 -6.071 1.00 31.53 C ATOM 368 O LYS A 25 18.303 -17.979 -6.498 1.00 63.34 O ATOM 369 CB LYS A 25 19.074 -21.399 -5.904 1.00 45.42 C ATOM 370 CG LYS A 25 18.803 -21.530 -7.404 1.00 33.12 C ATOM 371 CD LYS A 25 19.906 -20.855 -8.222 1.00 51.15 C ATOM 372 CE LYS A 25 20.092 -21.552 -9.571 1.00 20.45 C ATOM 373 NZ LYS A 25 20.953 -22.747 -9.423 1.00 61.34 N1+ ATOM 0 HA LYS A 25 18.853 -20.027 -4.323 1.00 25.50 H new ATOM 0 HB2 LYS A 25 20.147 -21.451 -5.719 1.00 45.42 H new ATOM 0 HB3 LYS A 25 18.619 -22.236 -5.374 1.00 45.42 H new ATOM 0 HG2 LYS A 25 18.738 -22.584 -7.675 1.00 33.12 H new ATOM 0 HG3 LYS A 25 17.840 -21.079 -7.644 1.00 33.12 H new ATOM 0 HD2 LYS A 25 19.655 -19.806 -8.382 1.00 51.15 H new ATOM 0 HD3 LYS A 25 20.843 -20.877 -7.665 1.00 51.15 H new ATOM 0 HE2 LYS A 25 19.122 -21.843 -9.973 1.00 20.45 H new ATOM 0 HE3 LYS A 25 20.539 -20.861 -10.286 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 21.069 -23.208 -10.348 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 21.885 -22.461 -9.060 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 20.511 -23.413 -8.757 1.00 61.34 H new ATOM 386 N HIS A 26 20.387 -18.795 -6.178 1.00 35.31 N ATOM 387 CA HIS A 26 21.046 -17.677 -6.831 1.00 31.21 C ATOM 388 C HIS A 26 21.211 -17.979 -8.322 1.00 31.35 C ATOM 389 O HIS A 26 21.731 -19.029 -8.693 1.00 63.11 O ATOM 390 CB HIS A 26 22.372 -17.350 -6.142 1.00 60.42 C ATOM 391 CG HIS A 26 22.324 -17.455 -4.636 1.00 74.52 C ATOM 392 ND1 HIS A 26 21.287 -16.936 -3.881 1.00 53.11 N ATOM 393 CD2 HIS A 26 23.194 -18.027 -3.755 1.00 43.12 C ATOM 394 CE1 HIS A 26 21.533 -17.187 -2.604 1.00 4.22 C ATOM 395 NE2 HIS A 26 22.715 -17.863 -2.527 1.00 45.54 N ATOM 0 H HIS A 26 21.018 -19.514 -5.823 1.00 35.31 H new ATOM 0 HA HIS A 26 20.428 -16.784 -6.743 1.00 31.21 H new ATOM 0 HB2 HIS A 26 23.141 -18.024 -6.519 1.00 60.42 H new ATOM 0 HB3 HIS A 26 22.672 -16.339 -6.416 1.00 60.42 H new ATOM 0 HD1 HIS A 26 20.472 -16.444 -4.246 1.00 53.11 H new ATOM 0 HD2 HIS A 26 24.116 -18.528 -4.012 1.00 43.12 H new ATOM 0 HE1 HIS A 26 20.907 -16.906 -1.770 1.00 4.22 H new ATOM 403 N LYS A 27 20.759 -17.037 -9.137 1.00 43.43 N ATOM 404 CA LYS A 27 20.850 -17.188 -10.579 1.00 42.03 C ATOM 405 C LYS A 27 21.953 -16.273 -11.115 1.00 2.45 C ATOM 406 O LYS A 27 23.050 -16.734 -11.427 1.00 22.32 O ATOM 407 CB LYS A 27 19.486 -16.952 -11.230 1.00 4.12 C ATOM 408 CG LYS A 27 19.305 -17.841 -12.462 1.00 44.14 C ATOM 409 CD LYS A 27 17.845 -18.272 -12.618 1.00 74.23 C ATOM 410 CE LYS A 27 16.897 -17.098 -12.368 1.00 2.05 C ATOM 411 NZ LYS A 27 16.403 -17.118 -10.974 1.00 22.44 N1+ ATOM 0 H LYS A 27 20.329 -16.166 -8.826 1.00 43.43 H new ATOM 0 HA LYS A 27 21.129 -18.210 -10.838 1.00 42.03 H new ATOM 0 HB2 LYS A 27 18.695 -17.158 -10.509 1.00 4.12 H new ATOM 0 HB3 LYS A 27 19.392 -15.904 -11.516 1.00 4.12 H new ATOM 0 HG2 LYS A 27 19.626 -17.303 -13.354 1.00 44.14 H new ATOM 0 HG3 LYS A 27 19.941 -18.722 -12.376 1.00 44.14 H new ATOM 0 HD2 LYS A 27 17.684 -18.667 -13.621 1.00 74.23 H new ATOM 0 HD3 LYS A 27 17.623 -19.078 -11.919 1.00 74.23 H new ATOM 0 HE2 LYS A 27 17.413 -16.158 -12.563 1.00 2.05 H new ATOM 0 HE3 LYS A 27 16.055 -17.149 -13.059 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 15.386 -17.334 -10.969 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 16.914 -17.846 -10.435 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 16.562 -16.188 -10.536 1.00 22.44 H new ATOM 424 N THR A 28 21.624 -14.993 -11.205 1.00 45.00 N ATOM 425 CA THR A 28 22.574 -14.009 -11.697 1.00 61.12 C ATOM 426 C THR A 28 23.192 -13.235 -10.532 1.00 45.43 C ATOM 427 O THR A 28 24.267 -12.653 -10.669 1.00 2.21 O ATOM 428 CB THR A 28 21.848 -13.115 -12.704 1.00 35.30 C ATOM 429 OG1 THR A 28 21.096 -14.027 -13.500 1.00 61.25 O ATOM 430 CG2 THR A 28 22.806 -12.455 -13.698 1.00 51.31 C ATOM 0 H THR A 28 20.713 -14.614 -10.946 1.00 45.00 H new ATOM 0 HA THR A 28 23.410 -14.487 -12.208 1.00 61.12 H new ATOM 0 HB THR A 28 21.292 -12.345 -12.170 1.00 35.30 H new ATOM 0 HG1 THR A 28 20.605 -13.532 -14.189 1.00 61.25 H new ATOM 0 HG21 THR A 28 22.240 -11.832 -14.390 1.00 51.31 H new ATOM 0 HG22 THR A 28 23.523 -11.837 -13.157 1.00 51.31 H new ATOM 0 HG23 THR A 28 23.339 -13.225 -14.256 1.00 51.31 H new ATOM 438 N GLY A 29 22.487 -13.252 -9.410 1.00 10.45 N ATOM 439 CA GLY A 29 22.953 -12.559 -8.222 1.00 52.43 C ATOM 440 C GLY A 29 22.405 -13.217 -6.953 1.00 73.33 C ATOM 441 O GLY A 29 21.849 -14.312 -7.008 1.00 12.41 O ATOM 0 H GLY A 29 21.596 -13.736 -9.299 1.00 10.45 H new ATOM 0 HA2 GLY A 29 24.043 -12.564 -8.197 1.00 52.43 H new ATOM 0 HA3 GLY A 29 22.640 -11.515 -8.259 1.00 52.43 H new ATOM 445 N PRO A 30 22.587 -12.502 -5.810 1.00 64.11 N ATOM 446 CA PRO A 30 22.117 -13.004 -4.530 1.00 53.23 C ATOM 447 C PRO A 30 20.597 -12.871 -4.414 1.00 41.02 C ATOM 448 O PRO A 30 20.023 -11.869 -4.838 1.00 1.24 O ATOM 449 CB PRO A 30 22.867 -12.189 -3.489 1.00 21.01 C ATOM 450 CG PRO A 30 23.375 -10.953 -4.214 1.00 61.15 C ATOM 451 CD PRO A 30 23.241 -11.201 -5.708 1.00 30.43 C ATOM 0 HA PRO A 30 22.311 -14.068 -4.398 1.00 53.23 H new ATOM 0 HB2 PRO A 30 22.212 -11.915 -2.662 1.00 21.01 H new ATOM 0 HB3 PRO A 30 23.693 -12.761 -3.066 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.800 -10.075 -3.920 1.00 61.15 H new ATOM 0 HG3 PRO A 30 24.414 -10.757 -3.951 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.649 -10.421 -6.187 1.00 30.43 H new ATOM 0 HD3 PRO A 30 24.215 -11.208 -6.197 1.00 30.43 H new ATOM 459 N ASN A 31 19.989 -13.896 -3.835 1.00 42.21 N ATOM 460 CA ASN A 31 18.547 -13.906 -3.656 1.00 54.23 C ATOM 461 C ASN A 31 18.169 -12.935 -2.537 1.00 24.12 C ATOM 462 O ASN A 31 18.944 -12.725 -1.604 1.00 22.02 O ATOM 463 CB ASN A 31 18.050 -15.298 -3.263 1.00 1.42 C ATOM 464 CG ASN A 31 16.605 -15.245 -2.763 1.00 33.11 C ATOM 465 OD1 ASN A 31 16.293 -14.643 -1.750 1.00 34.33 O ATOM 466 ND2 ASN A 31 15.743 -15.906 -3.531 1.00 24.23 N ATOM 0 H ASN A 31 20.468 -14.725 -3.484 1.00 42.21 H new ATOM 0 HA ASN A 31 18.088 -13.613 -4.601 1.00 54.23 H new ATOM 0 HB2 ASN A 31 18.117 -15.967 -4.121 1.00 1.42 H new ATOM 0 HB3 ASN A 31 18.692 -15.711 -2.485 1.00 1.42 H new ATOM 0 HD21 ASN A 31 14.754 -15.929 -3.284 1.00 24.23 H new ATOM 0 HD22 ASN A 31 16.071 -16.390 -4.367 1.00 24.23 H new ATOM 473 N LEU A 32 16.979 -12.369 -2.664 1.00 74.54 N ATOM 474 CA LEU A 32 16.489 -11.425 -1.674 1.00 5.51 C ATOM 475 C LEU A 32 15.405 -12.095 -0.827 1.00 71.53 C ATOM 476 O LEU A 32 14.221 -12.019 -1.153 1.00 22.25 O ATOM 477 CB LEU A 32 16.028 -10.130 -2.349 1.00 14.14 C ATOM 478 CG LEU A 32 17.006 -9.512 -3.351 1.00 30.32 C ATOM 479 CD1 LEU A 32 16.742 -10.032 -4.766 1.00 72.11 C ATOM 480 CD2 LEU A 32 16.965 -7.985 -3.285 1.00 23.23 C ATOM 0 H LEU A 32 16.339 -12.546 -3.438 1.00 74.54 H new ATOM 0 HA LEU A 32 17.292 -11.136 -0.995 1.00 5.51 H new ATOM 0 HB2 LEU A 32 15.087 -10.326 -2.863 1.00 14.14 H new ATOM 0 HB3 LEU A 32 15.819 -9.393 -1.573 1.00 14.14 H new ATOM 0 HG LEU A 32 18.016 -9.819 -3.078 1.00 30.32 H new ATOM 0 HD11 LEU A 32 17.450 -9.577 -5.459 1.00 72.11 H new ATOM 0 HD12 LEU A 32 16.861 -11.115 -4.784 1.00 72.11 H new ATOM 0 HD13 LEU A 32 15.726 -9.774 -5.065 1.00 72.11 H new ATOM 0 HD21 LEU A 32 17.669 -7.571 -4.007 1.00 23.23 H new ATOM 0 HD22 LEU A 32 15.959 -7.638 -3.519 1.00 23.23 H new ATOM 0 HD23 LEU A 32 17.238 -7.657 -2.282 1.00 23.23 H new ATOM 492 N HIS A 33 15.848 -12.738 0.242 1.00 14.50 N ATOM 493 CA HIS A 33 14.932 -13.423 1.137 1.00 13.44 C ATOM 494 C HIS A 33 14.926 -12.726 2.499 1.00 62.54 C ATOM 495 O HIS A 33 13.873 -12.330 2.995 1.00 23.12 O ATOM 496 CB HIS A 33 15.276 -14.911 1.235 1.00 5.43 C ATOM 497 CG HIS A 33 14.552 -15.637 2.344 1.00 22.13 C ATOM 498 ND1 HIS A 33 15.186 -16.064 3.498 1.00 13.25 N ATOM 499 CD2 HIS A 33 13.245 -16.005 2.463 1.00 23.11 C ATOM 500 CE1 HIS A 33 14.290 -16.663 4.269 1.00 64.43 C ATOM 501 NE2 HIS A 33 13.087 -16.626 3.626 1.00 50.42 N ATOM 0 H HIS A 33 16.831 -12.799 0.509 1.00 14.50 H new ATOM 0 HA HIS A 33 13.920 -13.369 0.735 1.00 13.44 H new ATOM 0 HB2 HIS A 33 15.040 -15.391 0.285 1.00 5.43 H new ATOM 0 HB3 HIS A 33 16.350 -15.016 1.387 1.00 5.43 H new ATOM 0 HD2 HIS A 33 12.469 -15.822 1.734 1.00 23.11 H new ATOM 0 HE1 HIS A 33 14.479 -17.103 5.237 1.00 64.43 H new ATOM 0 HE2 HIS A 33 12.212 -17.011 3.980 1.00 50.42 H new ATOM 509 N GLY A 34 16.117 -12.595 3.066 1.00 75.21 N ATOM 510 CA GLY A 34 16.264 -11.951 4.361 1.00 51.24 C ATOM 511 C GLY A 34 16.781 -10.520 4.205 1.00 41.32 C ATOM 512 O GLY A 34 17.389 -9.973 5.125 1.00 23.54 O ATOM 0 H GLY A 34 16.989 -12.924 2.652 1.00 75.21 H new ATOM 0 HA2 GLY A 34 15.304 -11.941 4.877 1.00 51.24 H new ATOM 0 HA3 GLY A 34 16.953 -12.525 4.981 1.00 51.24 H new ATOM 516 N LEU A 35 16.521 -9.954 3.036 1.00 32.14 N ATOM 517 CA LEU A 35 16.953 -8.597 2.749 1.00 14.33 C ATOM 518 C LEU A 35 16.741 -7.726 3.989 1.00 14.32 C ATOM 519 O LEU A 35 17.692 -7.415 4.705 1.00 23.33 O ATOM 520 CB LEU A 35 16.253 -8.065 1.498 1.00 1.34 C ATOM 521 CG LEU A 35 16.653 -6.657 1.052 1.00 70.13 C ATOM 522 CD1 LEU A 35 18.126 -6.611 0.639 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.730 -6.150 -0.058 1.00 20.03 C ATOM 0 H LEU A 35 16.016 -10.411 2.276 1.00 32.14 H new ATOM 0 HA LEU A 35 18.019 -8.577 2.523 1.00 14.33 H new ATOM 0 HB2 LEU A 35 16.448 -8.754 0.676 1.00 1.34 H new ATOM 0 HB3 LEU A 35 15.178 -8.077 1.675 1.00 1.34 H new ATOM 0 HG LEU A 35 16.535 -5.983 1.901 1.00 70.13 H new ATOM 0 HD11 LEU A 35 18.385 -5.599 0.326 1.00 23.22 H new ATOM 0 HD12 LEU A 35 18.750 -6.900 1.484 1.00 23.22 H new ATOM 0 HD13 LEU A 35 18.294 -7.301 -0.188 1.00 23.22 H new ATOM 0 HD21 LEU A 35 16.036 -5.147 -0.356 1.00 20.03 H new ATOM 0 HD22 LEU A 35 15.792 -6.819 -0.916 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.703 -6.122 0.307 1.00 20.03 H new ATOM 535 N PHE A 36 15.487 -7.356 4.206 1.00 5.35 N ATOM 536 CA PHE A 36 15.138 -6.528 5.347 1.00 22.24 C ATOM 537 C PHE A 36 15.540 -7.203 6.660 1.00 61.41 C ATOM 538 O PHE A 36 14.858 -8.112 7.129 1.00 2.04 O ATOM 539 CB PHE A 36 13.618 -6.351 5.324 1.00 52.13 C ATOM 540 CG PHE A 36 13.126 -5.327 4.299 1.00 23.51 C ATOM 541 CD1 PHE A 36 12.951 -5.693 3.002 1.00 33.42 C ATOM 542 CD2 PHE A 36 12.866 -4.049 4.686 1.00 23.43 C ATOM 543 CE1 PHE A 36 12.495 -4.743 2.051 1.00 1.43 C ATOM 544 CE2 PHE A 36 12.409 -3.098 3.735 1.00 12.33 C ATOM 545 CZ PHE A 36 12.233 -3.465 2.437 1.00 2.54 C ATOM 0 H PHE A 36 14.700 -7.615 3.610 1.00 5.35 H new ATOM 0 HA PHE A 36 15.660 -5.573 5.286 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.154 -7.314 5.112 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.283 -6.047 6.316 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.159 -6.707 2.695 1.00 33.42 H new ATOM 0 HD2 PHE A 36 13.007 -3.757 5.716 1.00 23.43 H new ATOM 0 HE1 PHE A 36 12.356 -5.035 1.021 1.00 1.43 H new ATOM 0 HE2 PHE A 36 12.201 -2.084 4.042 1.00 12.33 H new ATOM 0 HZ PHE A 36 11.886 -2.742 1.713 1.00 2.54 H new ATOM 555 N GLY A 37 16.647 -6.733 7.215 1.00 15.13 N ATOM 556 CA GLY A 37 17.149 -7.280 8.463 1.00 44.23 C ATOM 557 C GLY A 37 18.414 -8.109 8.230 1.00 13.23 C ATOM 558 O GLY A 37 18.700 -9.038 8.985 1.00 33.14 O ATOM 0 H GLY A 37 17.211 -5.979 6.823 1.00 15.13 H new ATOM 0 HA2 GLY A 37 17.365 -6.469 9.159 1.00 44.23 H new ATOM 0 HA3 GLY A 37 16.383 -7.902 8.926 1.00 44.23 H new ATOM 562 N ARG A 38 19.137 -7.746 7.181 1.00 71.12 N ATOM 563 CA ARG A 38 20.363 -8.445 6.839 1.00 72.15 C ATOM 564 C ARG A 38 21.374 -7.474 6.226 1.00 53.24 C ATOM 565 O ARG A 38 20.991 -6.499 5.580 1.00 74.14 O ATOM 566 CB ARG A 38 20.092 -9.580 5.850 1.00 13.11 C ATOM 567 CG ARG A 38 21.380 -10.336 5.515 1.00 61.12 C ATOM 568 CD ARG A 38 21.114 -11.453 4.505 1.00 23.15 C ATOM 569 NE ARG A 38 19.902 -12.208 4.892 1.00 44.20 N ATOM 570 CZ ARG A 38 19.837 -13.041 5.953 1.00 15.22 C ATOM 571 NH1 ARG A 38 20.916 -13.233 6.740 1.00 2.45 N ATOM 572 NH2 ARG A 38 18.702 -13.666 6.207 1.00 43.34 N1+ ATOM 0 H ARG A 38 18.897 -6.976 6.556 1.00 71.12 H new ATOM 0 HA ARG A 38 20.771 -8.868 7.757 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.361 -10.269 6.273 1.00 13.11 H new ATOM 0 HB3 ARG A 38 19.656 -9.175 4.937 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.118 -9.643 5.110 1.00 61.12 H new ATOM 0 HG3 ARG A 38 21.805 -10.758 6.426 1.00 61.12 H new ATOM 0 HD2 ARG A 38 20.986 -11.030 3.508 1.00 23.15 H new ATOM 0 HD3 ARG A 38 21.971 -12.124 4.459 1.00 23.15 H new ATOM 0 HE ARG A 38 19.064 -12.092 4.322 1.00 44.20 H new ATOM 0 HH11 ARG A 38 21.789 -12.747 6.536 1.00 2.45 H new ATOM 0 HH12 ARG A 38 20.858 -13.864 7.539 1.00 2.45 H new ATOM 0 HH21 ARG A 38 17.892 -13.516 5.606 1.00 43.34 H new ATOM 0 HH22 ARG A 38 18.636 -14.299 7.004 1.00 43.34 H new ATOM 585 N LYS A 39 22.645 -7.774 6.449 1.00 1.25 N ATOM 586 CA LYS A 39 23.714 -6.939 5.926 1.00 23.04 C ATOM 587 C LYS A 39 24.079 -7.409 4.517 1.00 30.04 C ATOM 588 O LYS A 39 23.430 -8.298 3.967 1.00 3.20 O ATOM 589 CB LYS A 39 24.900 -6.919 6.893 1.00 65.41 C ATOM 590 CG LYS A 39 24.766 -5.774 7.900 1.00 52.45 C ATOM 591 CD LYS A 39 25.447 -6.126 9.224 1.00 54.13 C ATOM 592 CE LYS A 39 24.616 -7.137 10.016 1.00 12.24 C ATOM 593 NZ LYS A 39 25.340 -7.560 11.237 1.00 2.13 N1+ ATOM 0 H LYS A 39 22.959 -8.583 6.985 1.00 1.25 H new ATOM 0 HA LYS A 39 23.382 -5.904 5.842 1.00 23.04 H new ATOM 0 HB2 LYS A 39 24.958 -7.870 7.423 1.00 65.41 H new ATOM 0 HB3 LYS A 39 25.829 -6.809 6.333 1.00 65.41 H new ATOM 0 HG2 LYS A 39 25.211 -4.868 7.488 1.00 52.45 H new ATOM 0 HG3 LYS A 39 23.712 -5.560 8.075 1.00 52.45 H new ATOM 0 HD2 LYS A 39 26.438 -6.537 9.030 1.00 54.13 H new ATOM 0 HD3 LYS A 39 25.588 -5.222 9.816 1.00 54.13 H new ATOM 0 HE2 LYS A 39 23.658 -6.695 10.289 1.00 12.24 H new ATOM 0 HE3 LYS A 39 24.400 -8.006 9.394 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 24.762 -8.246 11.763 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 26.243 -8.001 10.970 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 25.524 -6.730 11.837 1.00 2.13 H new ATOM 606 N THR A 40 25.117 -6.791 3.972 1.00 35.13 N ATOM 607 CA THR A 40 25.575 -7.135 2.636 1.00 75.44 C ATOM 608 C THR A 40 26.492 -8.357 2.686 1.00 43.11 C ATOM 609 O THR A 40 26.842 -8.832 3.765 1.00 72.31 O ATOM 610 CB THR A 40 26.244 -5.897 2.034 1.00 74.21 C ATOM 611 OG1 THR A 40 27.221 -5.525 3.001 1.00 42.25 O ATOM 612 CG2 THR A 40 25.302 -4.694 1.973 1.00 52.34 C ATOM 0 H THR A 40 25.654 -6.055 4.431 1.00 35.13 H new ATOM 0 HA THR A 40 24.743 -7.419 1.992 1.00 75.44 H new ATOM 0 HB THR A 40 26.601 -6.129 1.031 1.00 74.21 H new ATOM 0 HG1 THR A 40 28.002 -5.144 2.547 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.826 -3.843 1.538 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.437 -4.940 1.358 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.971 -4.440 2.980 1.00 52.34 H new ATOM 620 N GLY A 41 26.856 -8.833 1.504 1.00 61.55 N ATOM 621 CA GLY A 41 27.726 -9.993 1.399 1.00 62.50 C ATOM 622 C GLY A 41 27.378 -11.037 2.462 1.00 21.13 C ATOM 623 O GLY A 41 28.253 -11.495 3.197 1.00 23.11 O ATOM 0 H GLY A 41 26.564 -8.437 0.611 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.632 -10.434 0.407 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.765 -9.684 1.514 1.00 62.50 H new ATOM 627 N GLN A 42 26.101 -11.383 2.510 1.00 20.11 N ATOM 628 CA GLN A 42 25.627 -12.365 3.471 1.00 50.44 C ATOM 629 C GLN A 42 25.358 -13.702 2.776 1.00 23.41 C ATOM 630 O GLN A 42 25.775 -14.752 3.261 1.00 22.22 O ATOM 631 CB GLN A 42 24.377 -11.863 4.197 1.00 22.15 C ATOM 632 CG GLN A 42 24.712 -10.690 5.120 1.00 43.33 C ATOM 633 CD GLN A 42 25.899 -11.028 6.025 1.00 74.22 C ATOM 634 OE1 GLN A 42 25.955 -12.070 6.656 1.00 53.24 O ATOM 635 NE2 GLN A 42 26.841 -10.089 6.054 1.00 55.35 N ATOM 0 H GLN A 42 25.379 -11.001 1.899 1.00 20.11 H new ATOM 0 HA GLN A 42 26.405 -12.517 4.219 1.00 50.44 H new ATOM 0 HB2 GLN A 42 23.628 -11.554 3.468 1.00 22.15 H new ATOM 0 HB3 GLN A 42 23.940 -12.674 4.779 1.00 22.15 H new ATOM 0 HG2 GLN A 42 24.944 -9.808 4.524 1.00 43.33 H new ATOM 0 HG3 GLN A 42 23.843 -10.443 5.730 1.00 43.33 H new ATOM 0 HE21 GLN A 42 26.731 -9.239 5.501 1.00 55.35 H new ATOM 0 HE22 GLN A 42 27.673 -10.219 6.629 1.00 55.35 H new ATOM 644 N ALA A 43 24.665 -13.618 1.651 1.00 70.23 N ATOM 645 CA ALA A 43 24.336 -14.807 0.884 1.00 30.12 C ATOM 646 C ALA A 43 25.535 -15.760 0.888 1.00 64.14 C ATOM 647 O ALA A 43 26.484 -15.570 0.131 1.00 13.20 O ATOM 648 CB ALA A 43 23.919 -14.404 -0.531 1.00 22.12 C ATOM 0 H ALA A 43 24.322 -12.744 1.252 1.00 70.23 H new ATOM 0 HA ALA A 43 23.494 -15.332 1.335 1.00 30.12 H new ATOM 0 HB1 ALA A 43 23.672 -15.297 -1.106 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.047 -13.752 -0.482 1.00 22.12 H new ATOM 0 HB3 ALA A 43 24.740 -13.876 -1.016 1.00 22.12 H new ATOM 654 N PRO A 44 25.448 -16.788 1.775 1.00 21.12 N ATOM 655 CA PRO A 44 26.514 -17.769 1.888 1.00 3.52 C ATOM 656 C PRO A 44 26.493 -18.740 0.706 1.00 70.11 C ATOM 657 O PRO A 44 27.320 -19.647 0.628 1.00 13.44 O ATOM 658 CB PRO A 44 26.276 -18.455 3.224 1.00 43.33 C ATOM 659 CG PRO A 44 24.831 -18.159 3.593 1.00 50.30 C ATOM 660 CD PRO A 44 24.338 -17.042 2.688 1.00 14.51 C ATOM 0 HA PRO A 44 27.506 -17.318 1.857 1.00 3.52 H new ATOM 0 HB2 PRO A 44 26.448 -19.529 3.148 1.00 43.33 H new ATOM 0 HB3 PRO A 44 26.959 -18.076 3.985 1.00 43.33 H new ATOM 0 HG2 PRO A 44 24.215 -19.050 3.470 1.00 50.30 H new ATOM 0 HG3 PRO A 44 24.757 -17.863 4.639 1.00 50.30 H new ATOM 0 HD2 PRO A 44 23.440 -17.338 2.146 1.00 14.51 H new ATOM 0 HD3 PRO A 44 24.085 -16.150 3.261 1.00 14.51 H new ATOM 668 N GLY A 45 25.538 -18.517 -0.186 1.00 63.41 N ATOM 669 CA GLY A 45 25.398 -19.361 -1.360 1.00 62.30 C ATOM 670 C GLY A 45 26.044 -18.707 -2.585 1.00 51.31 C ATOM 671 O GLY A 45 26.259 -19.365 -3.602 1.00 1.41 O ATOM 0 H GLY A 45 24.854 -17.764 -0.119 1.00 63.41 H new ATOM 0 HA2 GLY A 45 25.861 -20.330 -1.173 1.00 62.30 H new ATOM 0 HA3 GLY A 45 24.342 -19.545 -1.556 1.00 62.30 H new ATOM 675 N TYR A 46 26.334 -17.422 -2.445 1.00 31.42 N ATOM 676 CA TYR A 46 26.951 -16.673 -3.527 1.00 33.33 C ATOM 677 C TYR A 46 27.826 -15.543 -2.982 1.00 21.45 C ATOM 678 O TYR A 46 27.511 -14.951 -1.951 1.00 53.01 O ATOM 679 CB TYR A 46 25.797 -16.067 -4.330 1.00 11.41 C ATOM 680 CG TYR A 46 26.230 -15.420 -5.647 1.00 3.21 C ATOM 681 CD1 TYR A 46 27.033 -16.117 -6.528 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.816 -14.140 -5.956 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.440 -15.508 -7.768 1.00 41.12 C ATOM 684 CE2 TYR A 46 26.223 -13.531 -7.196 1.00 4.30 C ATOM 685 CZ TYR A 46 27.015 -14.246 -8.041 1.00 64.21 C ATOM 686 OH TYR A 46 27.399 -13.671 -9.212 1.00 73.20 O ATOM 0 H TYR A 46 26.153 -16.881 -1.600 1.00 31.42 H new ATOM 0 HA TYR A 46 27.586 -17.322 -4.131 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.067 -16.847 -4.543 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.294 -15.319 -3.717 1.00 11.41 H new ATOM 0 HD1 TYR A 46 27.356 -17.119 -6.287 1.00 70.24 H new ATOM 0 HD2 TYR A 46 25.187 -13.595 -5.268 1.00 42.12 H new ATOM 0 HE1 TYR A 46 28.069 -16.042 -8.465 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.907 -12.530 -7.450 1.00 4.30 H new ATOM 0 HH TYR A 46 27.020 -12.769 -9.273 1.00 73.20 H new ATOM 696 N SER A 47 28.908 -15.277 -3.699 1.00 61.13 N ATOM 697 CA SER A 47 29.832 -14.228 -3.300 1.00 50.02 C ATOM 698 C SER A 47 29.800 -13.088 -4.319 1.00 61.25 C ATOM 699 O SER A 47 29.735 -13.328 -5.524 1.00 74.42 O ATOM 700 CB SER A 47 31.254 -14.773 -3.158 1.00 64.01 C ATOM 701 OG SER A 47 31.306 -15.916 -2.308 1.00 62.20 O ATOM 0 H SER A 47 29.166 -15.770 -4.554 1.00 61.13 H new ATOM 0 HA SER A 47 29.519 -13.847 -2.328 1.00 50.02 H new ATOM 0 HB2 SER A 47 31.641 -15.035 -4.142 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.902 -13.994 -2.758 1.00 64.01 H new ATOM 0 HG SER A 47 32.231 -16.235 -2.245 1.00 62.20 H new ATOM 707 N TYR A 48 29.845 -11.870 -3.798 1.00 23.43 N ATOM 708 CA TYR A 48 29.822 -10.691 -4.647 1.00 51.03 C ATOM 709 C TYR A 48 31.228 -10.112 -4.819 1.00 50.11 C ATOM 710 O TYR A 48 32.210 -10.720 -4.397 1.00 44.52 O ATOM 711 CB TYR A 48 28.946 -9.667 -3.923 1.00 20.35 C ATOM 712 CG TYR A 48 27.754 -10.279 -3.185 1.00 25.13 C ATOM 713 CD1 TYR A 48 27.222 -11.480 -3.609 1.00 3.33 C ATOM 714 CD2 TYR A 48 27.211 -9.631 -2.094 1.00 40.21 C ATOM 715 CE1 TYR A 48 26.100 -12.056 -2.914 1.00 31.53 C ATOM 716 CE2 TYR A 48 26.089 -10.207 -1.399 1.00 74.50 C ATOM 717 CZ TYR A 48 25.589 -11.391 -1.843 1.00 31.14 C ATOM 718 OH TYR A 48 24.529 -11.935 -1.187 1.00 23.04 O ATOM 0 H TYR A 48 29.897 -11.675 -2.798 1.00 23.43 H new ATOM 0 HA TYR A 48 29.442 -10.939 -5.638 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.560 -9.119 -3.208 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.578 -8.942 -4.648 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.647 -11.988 -4.462 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.628 -8.692 -1.761 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.674 -12.995 -3.236 1.00 31.53 H new ATOM 0 HE2 TYR A 48 25.654 -9.710 -0.544 1.00 74.50 H new ATOM 0 HH TYR A 48 24.271 -11.352 -0.443 1.00 23.04 H new ATOM 728 N THR A 49 31.279 -8.942 -5.439 1.00 5.20 N ATOM 729 CA THR A 49 32.548 -8.273 -5.672 1.00 43.03 C ATOM 730 C THR A 49 33.208 -7.904 -4.343 1.00 11.41 C ATOM 731 O THR A 49 32.637 -8.132 -3.277 1.00 40.24 O ATOM 732 CB THR A 49 32.288 -7.068 -6.576 1.00 0.23 C ATOM 733 OG1 THR A 49 31.046 -6.546 -6.111 1.00 65.43 O ATOM 734 CG2 THR A 49 32.002 -7.472 -8.025 1.00 63.33 C ATOM 0 H THR A 49 30.462 -8.440 -5.787 1.00 5.20 H new ATOM 0 HA THR A 49 33.255 -8.931 -6.178 1.00 43.03 H new ATOM 0 HB THR A 49 33.150 -6.402 -6.548 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.802 -5.759 -6.642 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.824 -6.579 -8.624 1.00 63.33 H new ATOM 0 HG22 THR A 49 32.858 -8.014 -8.427 1.00 63.33 H new ATOM 0 HG23 THR A 49 31.120 -8.111 -8.057 1.00 63.33 H new ATOM 742 N ALA A 50 34.403 -7.341 -4.448 1.00 63.11 N ATOM 743 CA ALA A 50 35.147 -6.939 -3.266 1.00 4.40 C ATOM 744 C ALA A 50 34.689 -5.545 -2.831 1.00 24.52 C ATOM 745 O ALA A 50 34.980 -5.112 -1.717 1.00 65.45 O ATOM 746 CB ALA A 50 36.646 -6.993 -3.565 1.00 22.44 C ATOM 0 H ALA A 50 34.874 -7.154 -5.333 1.00 63.11 H new ATOM 0 HA ALA A 50 34.954 -7.623 -2.439 1.00 4.40 H new ATOM 0 HB1 ALA A 50 37.205 -6.692 -2.679 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.925 -8.010 -3.842 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.878 -6.316 -4.388 1.00 22.44 H new ATOM 752 N ALA A 51 33.979 -4.882 -3.733 1.00 22.13 N ATOM 753 CA ALA A 51 33.477 -3.546 -3.455 1.00 24.51 C ATOM 754 C ALA A 51 32.119 -3.650 -2.759 1.00 32.14 C ATOM 755 O ALA A 51 31.764 -2.795 -1.950 1.00 53.32 O ATOM 756 CB ALA A 51 33.407 -2.747 -4.758 1.00 73.13 C ATOM 0 H ALA A 51 33.740 -5.244 -4.656 1.00 22.13 H new ATOM 0 HA ALA A 51 34.150 -3.014 -2.783 1.00 24.51 H new ATOM 0 HB1 ALA A 51 33.031 -1.745 -4.551 1.00 73.13 H new ATOM 0 HB2 ALA A 51 34.403 -2.677 -5.196 1.00 73.13 H new ATOM 0 HB3 ALA A 51 32.738 -3.249 -5.457 1.00 73.13 H new ATOM 762 N ASN A 52 31.395 -4.707 -3.101 1.00 72.12 N ATOM 763 CA ASN A 52 30.083 -4.933 -2.520 1.00 72.03 C ATOM 764 C ASN A 52 30.245 -5.432 -1.082 1.00 44.33 C ATOM 765 O ASN A 52 29.757 -4.803 -0.145 1.00 21.23 O ATOM 766 CB ASN A 52 29.310 -5.997 -3.304 1.00 71.24 C ATOM 767 CG ASN A 52 27.805 -5.879 -3.048 1.00 1.21 C ATOM 768 OD1 ASN A 52 27.051 -5.357 -3.853 1.00 10.34 O ATOM 769 ND2 ASN A 52 27.413 -6.394 -1.887 1.00 51.41 N ATOM 0 H ASN A 52 31.692 -5.415 -3.772 1.00 72.12 H new ATOM 0 HA ASN A 52 29.534 -3.992 -2.550 1.00 72.03 H new ATOM 0 HB2 ASN A 52 29.511 -5.887 -4.370 1.00 71.24 H new ATOM 0 HB3 ASN A 52 29.655 -6.990 -3.015 1.00 71.24 H new ATOM 0 HD21 ASN A 52 26.428 -6.367 -1.624 1.00 51.41 H new ATOM 0 HD22 ASN A 52 28.097 -6.816 -1.259 1.00 51.41 H new ATOM 776 N LYS A 53 30.933 -6.556 -0.955 1.00 31.33 N ATOM 777 CA LYS A 53 31.167 -7.146 0.353 1.00 23.25 C ATOM 778 C LYS A 53 31.709 -6.076 1.301 1.00 40.10 C ATOM 779 O LYS A 53 31.171 -5.876 2.390 1.00 44.44 O ATOM 780 CB LYS A 53 32.071 -8.375 0.232 1.00 41.40 C ATOM 781 CG LYS A 53 31.758 -9.396 1.329 1.00 75.03 C ATOM 782 CD LYS A 53 33.007 -10.195 1.706 1.00 74.12 C ATOM 783 CE LYS A 53 32.629 -11.568 2.267 1.00 55.52 C ATOM 784 NZ LYS A 53 32.315 -11.469 3.710 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.336 -7.074 -1.735 1.00 31.33 H new ATOM 0 HA LYS A 53 30.232 -7.507 0.781 1.00 23.25 H new ATOM 0 HB2 LYS A 53 31.936 -8.835 -0.747 1.00 41.40 H new ATOM 0 HB3 LYS A 53 33.115 -8.071 0.300 1.00 41.40 H new ATOM 0 HG2 LYS A 53 31.371 -8.882 2.209 1.00 75.03 H new ATOM 0 HG3 LYS A 53 30.977 -10.075 0.987 1.00 75.03 H new ATOM 0 HD2 LYS A 53 33.643 -10.319 0.829 1.00 74.12 H new ATOM 0 HD3 LYS A 53 33.587 -9.643 2.445 1.00 74.12 H new ATOM 0 HE2 LYS A 53 31.768 -11.964 1.728 1.00 55.52 H new ATOM 0 HE3 LYS A 53 33.450 -12.268 2.115 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 32.061 -12.409 4.075 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 33.146 -11.112 4.223 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 31.517 -10.816 3.848 1.00 13.54 H new ATOM 797 N ASN A 54 32.766 -5.414 0.854 1.00 32.11 N ATOM 798 CA ASN A 54 33.386 -4.368 1.651 1.00 62.53 C ATOM 799 C ASN A 54 32.296 -3.533 2.325 1.00 21.52 C ATOM 800 O ASN A 54 32.460 -3.093 3.461 1.00 54.24 O ATOM 801 CB ASN A 54 34.223 -3.434 0.775 1.00 4.13 C ATOM 802 CG ASN A 54 35.666 -3.932 0.666 1.00 23.22 C ATOM 803 OD1 ASN A 54 36.611 -3.164 0.602 1.00 64.31 O ATOM 804 ND2 ASN A 54 35.781 -5.257 0.646 1.00 31.23 N ATOM 0 H ASN A 54 33.209 -5.581 -0.049 1.00 32.11 H new ATOM 0 HA ASN A 54 34.030 -4.843 2.391 1.00 62.53 H new ATOM 0 HB2 ASN A 54 33.781 -3.369 -0.219 1.00 4.13 H new ATOM 0 HB3 ASN A 54 34.212 -2.428 1.195 1.00 4.13 H new ATOM 0 HD21 ASN A 54 36.703 -5.688 0.573 1.00 31.23 H new ATOM 0 HD22 ASN A 54 34.948 -5.842 0.703 1.00 31.23 H new ATOM 811 N LYS A 55 31.206 -3.340 1.596 1.00 3.10 N ATOM 812 CA LYS A 55 30.090 -2.566 2.110 1.00 52.01 C ATOM 813 C LYS A 55 29.517 -3.262 3.346 1.00 71.13 C ATOM 814 O LYS A 55 29.467 -4.490 3.404 1.00 34.34 O ATOM 815 CB LYS A 55 29.056 -2.321 1.009 1.00 61.43 C ATOM 816 CG LYS A 55 28.132 -1.156 1.374 1.00 35.11 C ATOM 817 CD LYS A 55 28.849 0.185 1.210 1.00 31.33 C ATOM 818 CE LYS A 55 28.664 0.736 -0.206 1.00 31.13 C ATOM 819 NZ LYS A 55 29.724 1.721 -0.522 1.00 40.52 N1+ ATOM 0 H LYS A 55 31.073 -3.707 0.654 1.00 3.10 H new ATOM 0 HA LYS A 55 30.426 -1.579 2.427 1.00 52.01 H new ATOM 0 HB2 LYS A 55 29.564 -2.106 0.069 1.00 61.43 H new ATOM 0 HB3 LYS A 55 28.465 -3.223 0.853 1.00 61.43 H new ATOM 0 HG2 LYS A 55 27.245 -1.178 0.740 1.00 35.11 H new ATOM 0 HG3 LYS A 55 27.791 -1.266 2.403 1.00 35.11 H new ATOM 0 HD2 LYS A 55 28.461 0.900 1.936 1.00 31.33 H new ATOM 0 HD3 LYS A 55 29.911 0.062 1.420 1.00 31.33 H new ATOM 0 HE2 LYS A 55 28.692 -0.081 -0.927 1.00 31.13 H new ATOM 0 HE3 LYS A 55 27.685 1.206 -0.295 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 29.584 2.085 -1.486 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 29.679 2.509 0.155 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 30.655 1.262 -0.457 1.00 40.52 H new ATOM 832 N GLY A 56 29.100 -2.449 4.306 1.00 14.34 N ATOM 833 CA GLY A 56 28.534 -2.971 5.537 1.00 1.53 C ATOM 834 C GLY A 56 27.347 -2.124 5.997 1.00 71.44 C ATOM 835 O GLY A 56 27.450 -1.380 6.972 1.00 74.10 O ATOM 0 H GLY A 56 29.143 -1.431 4.255 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.213 -4.002 5.385 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.298 -2.986 6.315 1.00 1.53 H new ATOM 839 N ILE A 57 26.245 -2.264 5.275 1.00 74.01 N ATOM 840 CA ILE A 57 25.039 -1.520 5.597 1.00 43.32 C ATOM 841 C ILE A 57 23.831 -2.458 5.523 1.00 62.24 C ATOM 842 O ILE A 57 23.862 -3.459 4.809 1.00 3.42 O ATOM 843 CB ILE A 57 24.915 -0.286 4.701 1.00 40.53 C ATOM 844 CG1 ILE A 57 24.672 -0.688 3.245 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.136 0.623 4.849 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.190 -0.970 2.993 1.00 32.33 C ATOM 0 H ILE A 57 26.162 -2.882 4.468 1.00 74.01 H new ATOM 0 HA ILE A 57 25.087 -1.141 6.618 1.00 43.32 H new ATOM 0 HB ILE A 57 24.046 0.287 5.026 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.012 0.108 2.583 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.260 -1.574 3.006 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.023 1.493 4.202 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.222 0.951 5.885 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.034 0.074 4.566 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.046 -1.253 1.950 1.00 32.33 H new ATOM 0 HD12 ILE A 57 22.859 -1.783 3.639 1.00 32.33 H new ATOM 0 HD13 ILE A 57 22.607 -0.075 3.210 1.00 32.33 H new ATOM 858 N ILE A 58 22.798 -2.101 6.271 1.00 34.44 N ATOM 859 CA ILE A 58 21.583 -2.897 6.299 1.00 71.13 C ATOM 860 C ILE A 58 20.652 -2.438 5.176 1.00 61.15 C ATOM 861 O ILE A 58 20.409 -1.243 5.015 1.00 1.32 O ATOM 862 CB ILE A 58 20.943 -2.849 7.688 1.00 10.41 C ATOM 863 CG1 ILE A 58 21.799 -3.596 8.713 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.507 -3.375 7.648 1.00 13.54 C ATOM 865 CD1 ILE A 58 21.437 -5.082 8.750 1.00 42.52 C ATOM 0 H ILE A 58 22.777 -1.270 6.863 1.00 34.44 H new ATOM 0 HA ILE A 58 21.811 -3.947 6.115 1.00 71.13 H new ATOM 0 HB ILE A 58 20.896 -1.808 8.006 1.00 10.41 H new ATOM 0 HG12 ILE A 58 22.854 -3.481 8.464 1.00 53.34 H new ATOM 0 HG13 ILE A 58 21.655 -3.158 9.701 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.075 -3.330 8.648 1.00 13.54 H new ATOM 0 HG22 ILE A 58 18.914 -2.763 6.969 1.00 13.54 H new ATOM 0 HG23 ILE A 58 19.507 -4.408 7.299 1.00 13.54 H new ATOM 0 HD11 ILE A 58 22.060 -5.590 9.486 1.00 42.52 H new ATOM 0 HD12 ILE A 58 20.388 -5.194 9.023 1.00 42.52 H new ATOM 0 HD13 ILE A 58 21.605 -5.522 7.767 1.00 42.52 H new ATOM 877 N TRP A 59 20.154 -3.412 4.428 1.00 12.43 N ATOM 878 CA TRP A 59 19.254 -3.123 3.324 1.00 31.13 C ATOM 879 C TRP A 59 17.910 -2.687 3.912 1.00 62.44 C ATOM 880 O TRP A 59 17.434 -3.274 4.882 1.00 4.32 O ATOM 881 CB TRP A 59 19.135 -4.325 2.385 1.00 3.14 C ATOM 882 CG TRP A 59 20.366 -4.552 1.505 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.119 -5.656 1.410 1.00 33.12 C ATOM 884 CD2 TRP A 59 20.961 -3.601 0.596 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.152 -5.488 0.509 1.00 43.14 N ATOM 886 CE2 TRP A 59 22.052 -4.200 -0.002 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.588 -2.281 0.289 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.861 -3.551 -0.944 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.406 -1.648 -0.654 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.509 -2.235 -1.265 1.00 62.15 C ATOM 0 H TRP A 59 20.357 -4.402 4.565 1.00 12.43 H new ATOM 0 HA TRP A 59 19.644 -2.312 2.709 1.00 31.13 H new ATOM 0 HB2 TRP A 59 18.956 -5.221 2.979 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.264 -4.188 1.745 1.00 3.14 H new ATOM 0 HD1 TRP A 59 20.941 -6.563 1.968 1.00 33.12 H new ATOM 0 HE1 TRP A 59 22.858 -6.182 0.264 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.738 -1.794 0.744 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.710 -4.040 -1.398 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 21.163 -0.631 -0.927 1.00 14.52 H new ATOM 0 HH2 TRP A 59 23.091 -1.678 -1.984 1.00 62.15 H new ATOM 901 N GLY A 60 17.337 -1.663 3.299 1.00 60.12 N ATOM 902 CA GLY A 60 16.058 -1.142 3.749 1.00 61.54 C ATOM 903 C GLY A 60 15.287 -0.506 2.591 1.00 2.44 C ATOM 904 O GLY A 60 15.455 -0.900 1.438 1.00 64.10 O ATOM 0 H GLY A 60 17.735 -1.180 2.494 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.467 -1.947 4.186 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.218 -0.402 4.534 1.00 61.54 H new ATOM 908 N GLU A 61 14.456 0.467 2.937 1.00 1.02 N ATOM 909 CA GLU A 61 13.659 1.162 1.940 1.00 43.51 C ATOM 910 C GLU A 61 14.426 2.365 1.391 1.00 54.24 C ATOM 911 O GLU A 61 14.376 2.645 0.194 1.00 64.13 O ATOM 912 CB GLU A 61 12.309 1.589 2.521 1.00 4.31 C ATOM 913 CG GLU A 61 11.568 0.395 3.125 1.00 42.02 C ATOM 914 CD GLU A 61 10.107 0.745 3.411 1.00 40.13 C ATOM 915 OE1 GLU A 61 9.590 0.416 4.489 1.00 42.11 O ATOM 916 OE2 GLU A 61 9.503 1.383 2.466 1.00 53.22 O1- ATOM 0 H GLU A 61 14.317 0.790 3.894 1.00 1.02 H new ATOM 0 HA GLU A 61 13.463 0.476 1.116 1.00 43.51 H new ATOM 0 HB2 GLU A 61 12.463 2.350 3.286 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.700 2.042 1.739 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.616 -0.452 2.440 1.00 42.02 H new ATOM 0 HG3 GLU A 61 12.059 0.086 4.048 1.00 42.02 H new ATOM 924 N ASP A 62 15.120 3.046 2.292 1.00 41.03 N ATOM 925 CA ASP A 62 15.897 4.214 1.913 1.00 11.04 C ATOM 926 C ASP A 62 17.171 3.762 1.194 1.00 64.11 C ATOM 927 O ASP A 62 17.476 4.242 0.104 1.00 4.51 O ATOM 928 CB ASP A 62 16.310 5.024 3.142 1.00 52.14 C ATOM 929 CG ASP A 62 15.164 5.738 3.861 1.00 62.42 C ATOM 930 OD1 ASP A 62 14.087 5.958 3.286 1.00 35.04 O ATOM 931 OD2 ASP A 62 15.413 6.080 5.080 1.00 62.51 O1- ATOM 0 H ASP A 62 15.160 2.811 3.284 1.00 41.03 H new ATOM 0 HA ASP A 62 15.278 4.834 1.264 1.00 11.04 H new ATOM 0 HB2 ASP A 62 16.803 4.357 3.849 1.00 52.14 H new ATOM 0 HB3 ASP A 62 17.047 5.767 2.838 1.00 52.14 H new ATOM 937 N THR A 63 17.879 2.844 1.835 1.00 73.22 N ATOM 938 CA THR A 63 19.112 2.321 1.271 1.00 3.24 C ATOM 939 C THR A 63 18.854 1.719 -0.112 1.00 11.02 C ATOM 940 O THR A 63 19.732 1.729 -0.972 1.00 1.20 O ATOM 941 CB THR A 63 19.703 1.323 2.268 1.00 40.22 C ATOM 942 OG1 THR A 63 18.567 0.632 2.781 1.00 4.21 O ATOM 943 CG2 THR A 63 20.307 2.009 3.494 1.00 44.33 C ATOM 0 H THR A 63 17.622 2.449 2.740 1.00 73.22 H new ATOM 0 HA THR A 63 19.842 3.115 1.113 1.00 3.24 H new ATOM 0 HB THR A 63 20.468 0.725 1.773 1.00 40.22 H new ATOM 0 HG1 THR A 63 18.366 0.958 3.683 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.712 1.256 4.170 1.00 44.33 H new ATOM 0 HG22 THR A 63 21.105 2.681 3.179 1.00 44.33 H new ATOM 0 HG23 THR A 63 19.534 2.580 4.009 1.00 44.33 H new ATOM 951 N LEU A 64 17.642 1.208 -0.282 1.00 10.45 N ATOM 952 CA LEU A 64 17.256 0.602 -1.545 1.00 43.40 C ATOM 953 C LEU A 64 16.669 1.677 -2.463 1.00 72.41 C ATOM 954 O LEU A 64 16.829 1.613 -3.681 1.00 42.34 O ATOM 955 CB LEU A 64 16.319 -0.583 -1.307 1.00 75.52 C ATOM 956 CG LEU A 64 16.952 -1.822 -0.673 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.894 -2.884 -0.368 1.00 31.02 C ATOM 958 CD2 LEU A 64 18.079 -2.372 -1.549 1.00 20.25 C ATOM 0 H LEU A 64 16.915 1.202 0.434 1.00 10.45 H new ATOM 0 HA LEU A 64 18.128 0.191 -2.053 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.500 -0.251 -0.669 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.881 -0.872 -2.262 1.00 75.52 H new ATOM 0 HG LEU A 64 17.397 -1.528 0.278 1.00 12.32 H new ATOM 0 HD11 LEU A 64 16.371 -3.754 0.082 1.00 31.02 H new ATOM 0 HD12 LEU A 64 15.157 -2.476 0.324 1.00 31.02 H new ATOM 0 HD13 LEU A 64 15.398 -3.180 -1.293 1.00 31.02 H new ATOM 0 HD21 LEU A 64 18.512 -3.253 -1.075 1.00 20.25 H new ATOM 0 HD22 LEU A 64 17.680 -2.645 -2.526 1.00 20.25 H new ATOM 0 HD23 LEU A 64 18.849 -1.611 -1.671 1.00 20.25 H new ATOM 970 N MET A 65 16.002 2.639 -1.843 1.00 14.04 N ATOM 971 CA MET A 65 15.390 3.725 -2.589 1.00 64.51 C ATOM 972 C MET A 65 16.450 4.693 -3.118 1.00 44.11 C ATOM 973 O MET A 65 16.170 5.506 -3.997 1.00 35.15 O ATOM 974 CB MET A 65 14.416 4.481 -1.682 1.00 75.32 C ATOM 975 CG MET A 65 14.026 5.827 -2.299 1.00 12.54 C ATOM 976 SD MET A 65 12.381 6.283 -1.777 1.00 72.52 S ATOM 977 CE MET A 65 11.428 5.037 -2.629 1.00 71.41 C ATOM 0 H MET A 65 15.872 2.689 -0.833 1.00 14.04 H new ATOM 0 HA MET A 65 14.856 3.301 -3.439 1.00 64.51 H new ATOM 0 HB2 MET A 65 13.522 3.879 -1.519 1.00 75.32 H new ATOM 0 HB3 MET A 65 14.873 4.643 -0.706 1.00 75.32 H new ATOM 0 HG2 MET A 65 14.738 6.595 -1.997 1.00 12.54 H new ATOM 0 HG3 MET A 65 14.067 5.764 -3.386 1.00 12.54 H new ATOM 0 HE1 MET A 65 10.668 5.518 -3.244 1.00 71.41 H new ATOM 0 HE2 MET A 65 12.088 4.445 -3.264 1.00 71.41 H new ATOM 0 HE3 MET A 65 10.946 4.386 -1.900 1.00 71.41 H new ATOM 987 N GLU A 66 17.646 4.572 -2.561 1.00 20.23 N ATOM 988 CA GLU A 66 18.750 5.426 -2.966 1.00 4.35 C ATOM 989 C GLU A 66 19.770 4.624 -3.779 1.00 12.41 C ATOM 990 O GLU A 66 20.524 5.192 -4.567 1.00 31.41 O ATOM 991 CB GLU A 66 19.410 6.081 -1.752 1.00 2.12 C ATOM 992 CG GLU A 66 20.691 6.815 -2.154 1.00 74.21 C ATOM 993 CD GLU A 66 21.014 7.937 -1.165 1.00 11.01 C ATOM 994 OE1 GLU A 66 20.266 8.145 -0.198 1.00 62.03 O ATOM 995 OE2 GLU A 66 22.087 8.603 -1.428 1.00 61.41 O1- ATOM 0 H GLU A 66 17.875 3.896 -1.833 1.00 20.23 H new ATOM 0 HA GLU A 66 18.356 6.222 -3.597 1.00 4.35 H new ATOM 0 HB2 GLU A 66 18.715 6.782 -1.290 1.00 2.12 H new ATOM 0 HB3 GLU A 66 19.641 5.321 -1.005 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.521 6.110 -2.193 1.00 74.21 H new ATOM 0 HG3 GLU A 66 20.578 7.230 -3.156 1.00 74.21 H new ATOM 1003 N TYR A 67 19.760 3.318 -3.557 1.00 2.54 N ATOM 1004 CA TYR A 67 20.675 2.434 -4.260 1.00 70.14 C ATOM 1005 C TYR A 67 20.119 2.047 -5.631 1.00 15.44 C ATOM 1006 O TYR A 67 20.854 2.016 -6.616 1.00 20.34 O ATOM 1007 CB TYR A 67 20.791 1.176 -3.395 1.00 71.01 C ATOM 1008 CG TYR A 67 21.460 -0.004 -4.102 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.526 0.214 -4.952 1.00 25.24 C ATOM 1010 CD2 TYR A 67 20.998 -1.287 -3.890 1.00 73.53 C ATOM 1011 CE1 TYR A 67 23.155 -0.898 -5.618 1.00 12.44 C ATOM 1012 CE2 TYR A 67 21.627 -2.398 -4.555 1.00 50.13 C ATOM 1013 CZ TYR A 67 22.675 -2.149 -5.386 1.00 70.00 C ATOM 1014 OH TYR A 67 23.269 -3.199 -6.015 1.00 1.15 O ATOM 0 H TYR A 67 19.134 2.851 -2.901 1.00 2.54 H new ATOM 0 HA TYR A 67 21.636 2.923 -4.419 1.00 70.14 H new ATOM 0 HB2 TYR A 67 21.358 1.417 -2.496 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.794 0.876 -3.073 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.888 1.218 -5.118 1.00 25.24 H new ATOM 0 HD2 TYR A 67 20.164 -1.458 -3.225 1.00 73.53 H new ATOM 0 HE1 TYR A 67 23.989 -0.742 -6.286 1.00 12.44 H new ATOM 0 HE2 TYR A 67 21.275 -3.407 -4.398 1.00 50.13 H new ATOM 0 HH TYR A 67 22.823 -4.032 -5.754 1.00 1.15 H new ATOM 1024 N LEU A 68 18.826 1.759 -5.650 1.00 3.24 N ATOM 1025 CA LEU A 68 18.163 1.375 -6.885 1.00 35.25 C ATOM 1026 C LEU A 68 18.305 2.504 -7.908 1.00 53.11 C ATOM 1027 O LEU A 68 18.646 2.260 -9.064 1.00 15.43 O ATOM 1028 CB LEU A 68 16.712 0.971 -6.611 1.00 63.11 C ATOM 1029 CG LEU A 68 16.487 -0.486 -6.203 1.00 65.23 C ATOM 1030 CD1 LEU A 68 15.028 -0.727 -5.812 1.00 12.31 C ATOM 1031 CD2 LEU A 68 16.952 -1.442 -7.303 1.00 71.44 C ATOM 0 H LEU A 68 18.220 1.784 -4.830 1.00 3.24 H new ATOM 0 HA LEU A 68 18.639 0.494 -7.315 1.00 35.25 H new ATOM 0 HB2 LEU A 68 16.320 1.613 -5.822 1.00 63.11 H new ATOM 0 HB3 LEU A 68 16.125 1.171 -7.507 1.00 63.11 H new ATOM 0 HG LEU A 68 17.094 -0.691 -5.321 1.00 65.23 H new ATOM 0 HD11 LEU A 68 14.895 -1.771 -5.526 1.00 12.31 H new ATOM 0 HD12 LEU A 68 14.766 -0.085 -4.971 1.00 12.31 H new ATOM 0 HD13 LEU A 68 14.382 -0.498 -6.659 1.00 12.31 H new ATOM 0 HD21 LEU A 68 16.781 -2.471 -6.987 1.00 71.44 H new ATOM 0 HD22 LEU A 68 16.392 -1.245 -8.217 1.00 71.44 H new ATOM 0 HD23 LEU A 68 18.015 -1.292 -7.490 1.00 71.44 H new ATOM 1043 N GLU A 69 18.036 3.716 -7.445 1.00 15.25 N ATOM 1044 CA GLU A 69 18.129 4.883 -8.304 1.00 72.12 C ATOM 1045 C GLU A 69 19.381 4.798 -9.180 1.00 22.31 C ATOM 1046 O GLU A 69 19.395 5.311 -10.299 1.00 70.33 O ATOM 1047 CB GLU A 69 18.122 6.173 -7.481 1.00 51.12 C ATOM 1048 CG GLU A 69 18.421 7.388 -8.363 1.00 33.34 C ATOM 1049 CD GLU A 69 17.922 8.676 -7.707 1.00 54.43 C ATOM 1050 OE1 GLU A 69 18.727 9.450 -7.168 1.00 2.44 O ATOM 1051 OE2 GLU A 69 16.647 8.863 -7.772 1.00 3.24 O1- ATOM 0 H GLU A 69 17.753 3.915 -6.485 1.00 15.25 H new ATOM 0 HA GLU A 69 17.254 4.902 -8.954 1.00 72.12 H new ATOM 0 HB2 GLU A 69 17.151 6.297 -7.001 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.864 6.105 -6.686 1.00 51.12 H new ATOM 0 HG2 GLU A 69 19.494 7.458 -8.541 1.00 33.34 H new ATOM 0 HG3 GLU A 69 17.945 7.262 -9.335 1.00 33.34 H new ATOM 1059 N ASN A 70 20.400 4.148 -8.639 1.00 1.34 N ATOM 1060 CA ASN A 70 21.653 3.990 -9.358 1.00 62.35 C ATOM 1061 C ASN A 70 22.575 3.061 -8.566 1.00 55.43 C ATOM 1062 O ASN A 70 23.319 3.512 -7.696 1.00 45.53 O ATOM 1063 CB ASN A 70 22.365 5.333 -9.525 1.00 44.13 C ATOM 1064 CG ASN A 70 21.847 6.079 -10.757 1.00 34.34 C ATOM 1065 OD1 ASN A 70 21.833 5.568 -11.864 1.00 35.54 O ATOM 1066 ND2 ASN A 70 21.422 7.314 -10.502 1.00 0.54 N ATOM 0 H ASN A 70 20.384 3.724 -7.711 1.00 1.34 H new ATOM 0 HA ASN A 70 21.429 3.577 -10.341 1.00 62.35 H new ATOM 0 HB2 ASN A 70 22.212 5.943 -8.635 1.00 44.13 H new ATOM 0 HB3 ASN A 70 23.439 5.170 -9.619 1.00 44.13 H new ATOM 0 HD21 ASN A 70 21.057 7.894 -11.257 1.00 0.54 H new ATOM 0 HD22 ASN A 70 21.462 7.681 -9.551 1.00 0.54 H new ATOM 1073 N PRO A 71 22.496 1.746 -8.905 1.00 54.04 N ATOM 1074 CA PRO A 71 23.315 0.749 -8.236 1.00 32.44 C ATOM 1075 C PRO A 71 24.766 0.821 -8.714 1.00 41.31 C ATOM 1076 O PRO A 71 25.613 0.053 -8.260 1.00 74.34 O ATOM 1077 CB PRO A 71 22.651 -0.581 -8.549 1.00 13.22 C ATOM 1078 CG PRO A 71 21.762 -0.329 -9.756 1.00 74.42 C ATOM 1079 CD PRO A 71 21.628 1.176 -9.930 1.00 62.30 C ATOM 0 HA PRO A 71 23.372 0.906 -7.159 1.00 32.44 H new ATOM 0 HB2 PRO A 71 23.395 -1.348 -8.765 1.00 13.22 H new ATOM 0 HB3 PRO A 71 22.066 -0.935 -7.700 1.00 13.22 H new ATOM 0 HG2 PRO A 71 22.194 -0.780 -10.649 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.783 -0.785 -9.611 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.936 1.488 -10.928 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.595 1.499 -9.799 1.00 62.30 H new ATOM 1087 N LYS A 72 25.010 1.751 -9.627 1.00 40.44 N ATOM 1088 CA LYS A 72 26.344 1.933 -10.173 1.00 22.32 C ATOM 1089 C LYS A 72 27.079 3.005 -9.366 1.00 63.53 C ATOM 1090 O LYS A 72 28.302 3.110 -9.436 1.00 45.42 O ATOM 1091 CB LYS A 72 26.274 2.232 -11.671 1.00 54.30 C ATOM 1092 CG LYS A 72 27.640 2.663 -12.210 1.00 41.01 C ATOM 1093 CD LYS A 72 27.697 2.529 -13.733 1.00 72.43 C ATOM 1094 CE LYS A 72 28.009 1.089 -14.145 1.00 51.53 C ATOM 1095 NZ LYS A 72 28.521 1.048 -15.533 1.00 51.14 N1+ ATOM 0 H LYS A 72 24.306 2.386 -10.002 1.00 40.44 H new ATOM 0 HA LYS A 72 26.921 1.013 -10.082 1.00 22.32 H new ATOM 0 HB2 LYS A 72 25.931 1.347 -12.206 1.00 54.30 H new ATOM 0 HB3 LYS A 72 25.542 3.019 -11.854 1.00 54.30 H new ATOM 0 HG2 LYS A 72 27.838 3.696 -11.925 1.00 41.01 H new ATOM 0 HG3 LYS A 72 28.422 2.053 -11.758 1.00 41.01 H new ATOM 0 HD2 LYS A 72 26.744 2.836 -14.165 1.00 72.43 H new ATOM 0 HD3 LYS A 72 28.459 3.199 -14.132 1.00 72.43 H new ATOM 0 HE2 LYS A 72 28.747 0.662 -13.466 1.00 51.53 H new ATOM 0 HE3 LYS A 72 27.110 0.478 -14.064 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 28.728 0.064 -15.798 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 27.805 1.437 -16.179 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 29.391 1.615 -15.599 1.00 51.14 H new ATOM 1108 N LYS A 73 26.301 3.774 -8.618 1.00 4.23 N ATOM 1109 CA LYS A 73 26.862 4.834 -7.799 1.00 34.14 C ATOM 1110 C LYS A 73 27.115 4.302 -6.386 1.00 2.10 C ATOM 1111 O LYS A 73 28.242 4.344 -5.895 1.00 35.44 O ATOM 1112 CB LYS A 73 25.967 6.074 -7.838 1.00 1.20 C ATOM 1113 CG LYS A 73 26.467 7.143 -6.865 1.00 32.13 C ATOM 1114 CD LYS A 73 25.316 8.026 -6.381 1.00 55.50 C ATOM 1115 CE LYS A 73 24.473 7.301 -5.328 1.00 5.11 C ATOM 1116 NZ LYS A 73 25.141 7.348 -4.009 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.287 3.684 -8.562 1.00 4.23 H new ATOM 0 HA LYS A 73 27.825 5.153 -8.198 1.00 34.14 H new ATOM 0 HB2 LYS A 73 25.946 6.480 -8.850 1.00 1.20 H new ATOM 0 HB3 LYS A 73 24.944 5.796 -7.584 1.00 1.20 H new ATOM 0 HG2 LYS A 73 26.948 6.666 -6.011 1.00 32.13 H new ATOM 0 HG3 LYS A 73 27.222 7.759 -7.353 1.00 32.13 H new ATOM 0 HD2 LYS A 73 25.714 8.950 -5.961 1.00 55.50 H new ATOM 0 HD3 LYS A 73 24.687 8.305 -7.226 1.00 55.50 H new ATOM 0 HE2 LYS A 73 23.488 7.763 -5.260 1.00 5.11 H new ATOM 0 HE3 LYS A 73 24.319 6.264 -5.628 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 24.526 6.912 -3.293 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 26.040 6.828 -4.057 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 25.327 8.338 -3.749 1.00 51.34 H new ATOM 1129 N TYR A 74 26.047 3.813 -5.773 1.00 21.02 N ATOM 1130 CA TYR A 74 26.138 3.274 -4.427 1.00 11.41 C ATOM 1131 C TYR A 74 27.256 2.233 -4.328 1.00 42.23 C ATOM 1132 O TYR A 74 27.817 2.021 -3.255 1.00 73.43 O ATOM 1133 CB TYR A 74 24.796 2.591 -4.155 1.00 34.24 C ATOM 1134 CG TYR A 74 24.470 2.432 -2.669 1.00 13.51 C ATOM 1135 CD1 TYR A 74 25.195 1.548 -1.894 1.00 55.13 C ATOM 1136 CD2 TYR A 74 23.450 3.170 -2.103 1.00 0.20 C ATOM 1137 CE1 TYR A 74 24.887 1.398 -0.495 1.00 30.14 C ATOM 1138 CE2 TYR A 74 23.143 3.019 -0.704 1.00 65.02 C ATOM 1139 CZ TYR A 74 23.877 2.141 0.030 1.00 60.53 C ATOM 1140 OH TYR A 74 23.586 1.999 1.351 1.00 63.13 O ATOM 0 H TYR A 74 25.114 3.779 -6.184 1.00 21.02 H new ATOM 0 HA TYR A 74 26.357 4.065 -3.710 1.00 11.41 H new ATOM 0 HB2 TYR A 74 24.003 3.168 -4.631 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.799 1.607 -4.623 1.00 34.24 H new ATOM 0 HD1 TYR A 74 25.992 0.970 -2.337 1.00 55.13 H new ATOM 0 HD2 TYR A 74 22.882 3.860 -2.709 1.00 0.20 H new ATOM 0 HE1 TYR A 74 25.446 0.711 0.123 1.00 30.14 H new ATOM 0 HE2 TYR A 74 22.348 3.590 -0.248 1.00 65.02 H new ATOM 0 HH TYR A 74 22.843 2.593 1.588 1.00 63.13 H new ATOM 1150 N ILE A 75 27.545 1.613 -5.462 1.00 35.22 N ATOM 1151 CA ILE A 75 28.586 0.601 -5.517 1.00 2.31 C ATOM 1152 C ILE A 75 29.247 0.628 -6.897 1.00 30.40 C ATOM 1153 O ILE A 75 28.805 -0.064 -7.814 1.00 3.45 O ATOM 1154 CB ILE A 75 28.021 -0.769 -5.132 1.00 64.10 C ATOM 1155 CG1 ILE A 75 27.036 -0.648 -3.968 1.00 71.04 C ATOM 1156 CG2 ILE A 75 29.147 -1.761 -4.830 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.464 -2.015 -3.590 1.00 1.01 C ATOM 0 H ILE A 75 27.076 1.792 -6.350 1.00 35.22 H new ATOM 0 HA ILE A 75 29.366 0.816 -4.786 1.00 2.31 H new ATOM 0 HB ILE A 75 27.466 -1.162 -5.984 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.538 -0.209 -3.106 1.00 71.04 H new ATOM 0 HG13 ILE A 75 26.225 0.027 -4.242 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.719 -2.726 -4.559 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.776 -1.878 -5.713 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.750 -1.386 -4.003 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.767 -1.901 -2.760 1.00 1.01 H new ATOM 0 HD12 ILE A 75 25.942 -2.440 -4.447 1.00 1.01 H new ATOM 0 HD13 ILE A 75 27.275 -2.680 -3.293 1.00 1.01 H new ATOM 1169 N PRO A 76 30.321 1.455 -7.004 1.00 75.43 N ATOM 1170 CA PRO A 76 31.046 1.581 -8.256 1.00 60.41 C ATOM 1171 C PRO A 76 31.923 0.353 -8.508 1.00 71.21 C ATOM 1172 O PRO A 76 32.795 0.032 -7.703 1.00 23.43 O ATOM 1173 CB PRO A 76 31.848 2.865 -8.118 1.00 52.32 C ATOM 1174 CG PRO A 76 31.904 3.164 -6.629 1.00 32.44 C ATOM 1175 CD PRO A 76 30.871 2.288 -5.939 1.00 2.31 C ATOM 0 HA PRO A 76 30.385 1.630 -9.122 1.00 60.41 H new ATOM 0 HB2 PRO A 76 32.850 2.746 -8.530 1.00 52.32 H new ATOM 0 HB3 PRO A 76 31.374 3.682 -8.663 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.900 2.961 -6.236 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.696 4.218 -6.443 1.00 32.44 H new ATOM 0 HD2 PRO A 76 31.326 1.681 -5.156 1.00 2.31 H new ATOM 0 HD3 PRO A 76 30.095 2.889 -5.465 1.00 2.31 H new ATOM 1183 N GLY A 77 31.661 -0.301 -9.631 1.00 41.14 N ATOM 1184 CA GLY A 77 32.416 -1.487 -9.999 1.00 61.20 C ATOM 1185 C GLY A 77 31.565 -2.748 -9.842 1.00 2.42 C ATOM 1186 O GLY A 77 32.012 -3.848 -10.169 1.00 31.14 O ATOM 0 H GLY A 77 30.937 -0.032 -10.297 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.757 -1.400 -11.031 1.00 61.20 H new ATOM 0 HA3 GLY A 77 33.306 -1.564 -9.375 1.00 61.20 H new ATOM 1190 N THR A 78 30.354 -2.549 -9.343 1.00 45.32 N ATOM 1191 CA THR A 78 29.437 -3.658 -9.139 1.00 52.32 C ATOM 1192 C THR A 78 29.357 -4.523 -10.399 1.00 15.00 C ATOM 1193 O THR A 78 29.988 -4.214 -11.408 1.00 74.51 O ATOM 1194 CB THR A 78 28.086 -3.080 -8.712 1.00 44.04 C ATOM 1195 OG1 THR A 78 27.267 -4.228 -8.507 1.00 51.42 O ATOM 1196 CG2 THR A 78 27.389 -2.322 -9.843 1.00 71.52 C ATOM 0 H THR A 78 29.986 -1.636 -9.074 1.00 45.32 H new ATOM 0 HA THR A 78 29.788 -4.322 -8.349 1.00 52.32 H new ATOM 0 HB THR A 78 28.229 -2.412 -7.863 1.00 44.04 H new ATOM 0 HG1 THR A 78 26.372 -3.945 -8.226 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.435 -1.933 -9.486 1.00 71.52 H new ATOM 0 HG22 THR A 78 28.019 -1.495 -10.169 1.00 71.52 H new ATOM 0 HG23 THR A 78 27.215 -2.998 -10.680 1.00 71.52 H new ATOM 1204 N LYS A 79 28.577 -5.588 -10.296 1.00 35.35 N ATOM 1205 CA LYS A 79 28.406 -6.500 -11.415 1.00 23.13 C ATOM 1206 C LYS A 79 26.914 -6.682 -11.696 1.00 32.14 C ATOM 1207 O LYS A 79 26.504 -7.694 -12.263 1.00 61.34 O ATOM 1208 CB LYS A 79 29.147 -7.814 -11.152 1.00 4.04 C ATOM 1209 CG LYS A 79 29.160 -8.146 -9.659 1.00 33.42 C ATOM 1210 CD LYS A 79 29.781 -9.523 -9.410 1.00 24.30 C ATOM 1211 CE LYS A 79 28.947 -10.627 -10.063 1.00 10.21 C ATOM 1212 NZ LYS A 79 29.350 -10.814 -11.475 1.00 45.34 N1+ ATOM 0 H LYS A 79 28.056 -5.840 -9.456 1.00 35.35 H new ATOM 0 HA LYS A 79 28.852 -6.083 -12.318 1.00 23.13 H new ATOM 0 HB2 LYS A 79 28.668 -8.623 -11.704 1.00 4.04 H new ATOM 0 HB3 LYS A 79 30.170 -7.739 -11.521 1.00 4.04 H new ATOM 0 HG2 LYS A 79 29.724 -7.386 -9.118 1.00 33.42 H new ATOM 0 HG3 LYS A 79 28.142 -8.126 -9.269 1.00 33.42 H new ATOM 0 HD2 LYS A 79 30.796 -9.546 -9.808 1.00 24.30 H new ATOM 0 HD3 LYS A 79 29.855 -9.704 -8.338 1.00 24.30 H new ATOM 0 HE2 LYS A 79 29.076 -11.560 -9.515 1.00 10.21 H new ATOM 0 HE3 LYS A 79 27.889 -10.370 -10.011 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 28.549 -10.586 -12.098 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 30.149 -10.185 -11.694 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 29.636 -11.802 -11.626 1.00 45.34 H new ATOM 1225 N MET A 80 26.142 -5.685 -11.289 1.00 75.05 N ATOM 1226 CA MET A 80 24.703 -5.722 -11.491 1.00 44.10 C ATOM 1227 C MET A 80 24.301 -4.899 -12.716 1.00 15.21 C ATOM 1228 O MET A 80 24.418 -3.674 -12.712 1.00 11.50 O ATOM 1229 CB MET A 80 24.000 -5.168 -10.250 1.00 41.23 C ATOM 1230 CG MET A 80 22.530 -4.861 -10.545 1.00 12.33 C ATOM 1231 SD MET A 80 21.556 -5.060 -9.061 1.00 55.50 S ATOM 1232 CE MET A 80 20.812 -3.440 -8.961 1.00 4.13 C ATOM 0 H MET A 80 26.486 -4.847 -10.820 1.00 75.05 H new ATOM 0 HA MET A 80 24.404 -6.757 -11.658 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.068 -5.890 -9.436 1.00 41.23 H new ATOM 0 HB3 MET A 80 24.505 -4.262 -9.916 1.00 41.23 H new ATOM 0 HG2 MET A 80 22.431 -3.843 -10.921 1.00 12.33 H new ATOM 0 HG3 MET A 80 22.160 -5.527 -11.325 1.00 12.33 H new ATOM 0 HE1 MET A 80 21.224 -2.903 -8.107 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.024 -2.885 -9.875 1.00 4.13 H new ATOM 0 HE3 MET A 80 19.734 -3.542 -8.840 1.00 4.13 H new ATOM 1242 N ILE A 81 23.833 -5.605 -13.735 1.00 73.13 N ATOM 1243 CA ILE A 81 23.413 -4.955 -14.965 1.00 63.41 C ATOM 1244 C ILE A 81 22.119 -4.177 -14.709 1.00 63.43 C ATOM 1245 O ILE A 81 21.082 -4.770 -14.418 1.00 21.32 O ATOM 1246 CB ILE A 81 23.303 -5.975 -16.100 1.00 65.11 C ATOM 1247 CG1 ILE A 81 24.607 -6.758 -16.261 1.00 3.45 C ATOM 1248 CG2 ILE A 81 22.873 -5.300 -17.404 1.00 43.10 C ATOM 1249 CD1 ILE A 81 24.599 -7.575 -17.555 1.00 64.30 C ATOM 0 H ILE A 81 23.735 -6.620 -13.734 1.00 73.13 H new ATOM 0 HA ILE A 81 24.162 -4.232 -15.289 1.00 63.41 H new ATOM 0 HB ILE A 81 22.526 -6.694 -15.840 1.00 65.11 H new ATOM 0 HG12 ILE A 81 25.451 -6.068 -16.267 1.00 3.45 H new ATOM 0 HG13 ILE A 81 24.744 -7.422 -15.408 1.00 3.45 H new ATOM 0 HG21 ILE A 81 22.802 -6.047 -18.194 1.00 43.10 H new ATOM 0 HG22 ILE A 81 21.901 -4.826 -17.265 1.00 43.10 H new ATOM 0 HG23 ILE A 81 23.608 -4.545 -17.683 1.00 43.10 H new ATOM 0 HD11 ILE A 81 25.537 -8.122 -17.646 1.00 64.30 H new ATOM 0 HD12 ILE A 81 23.768 -8.280 -17.535 1.00 64.30 H new ATOM 0 HD13 ILE A 81 24.486 -6.905 -18.407 1.00 64.30 H new ATOM 1261 N PHE A 82 22.224 -2.862 -14.828 1.00 51.30 N ATOM 1262 CA PHE A 82 21.076 -1.998 -14.613 1.00 2.04 C ATOM 1263 C PHE A 82 21.215 -0.695 -15.403 1.00 11.53 C ATOM 1264 O PHE A 82 22.309 -0.347 -15.846 1.00 33.35 O ATOM 1265 CB PHE A 82 21.035 -1.672 -13.118 1.00 11.41 C ATOM 1266 CG PHE A 82 19.638 -1.330 -12.594 1.00 52.20 C ATOM 1267 CD1 PHE A 82 18.724 -2.318 -12.404 1.00 64.53 C ATOM 1268 CD2 PHE A 82 19.313 -0.039 -12.320 1.00 24.33 C ATOM 1269 CE1 PHE A 82 17.428 -2.001 -11.918 1.00 62.32 C ATOM 1270 CE2 PHE A 82 18.017 0.278 -11.834 1.00 21.13 C ATOM 1271 CZ PHE A 82 17.101 -0.710 -11.643 1.00 52.30 C ATOM 0 H PHE A 82 23.086 -2.374 -15.070 1.00 51.30 H new ATOM 0 HA PHE A 82 20.166 -2.498 -14.946 1.00 2.04 H new ATOM 0 HB2 PHE A 82 21.423 -2.524 -12.560 1.00 11.41 H new ATOM 0 HB3 PHE A 82 21.701 -0.832 -12.921 1.00 11.41 H new ATOM 0 HD1 PHE A 82 18.983 -3.343 -12.623 1.00 64.53 H new ATOM 0 HD2 PHE A 82 20.040 0.745 -12.472 1.00 24.33 H new ATOM 0 HE1 PHE A 82 16.702 -2.786 -11.767 1.00 62.32 H new ATOM 0 HE2 PHE A 82 17.758 1.304 -11.616 1.00 21.13 H new ATOM 0 HZ PHE A 82 16.115 -0.469 -11.273 1.00 52.30 H new ATOM 1281 N VAL A 83 20.092 -0.010 -15.556 1.00 11.14 N ATOM 1282 CA VAL A 83 20.074 1.246 -16.286 1.00 50.45 C ATOM 1283 C VAL A 83 19.737 2.386 -15.323 1.00 64.23 C ATOM 1284 O VAL A 83 20.427 3.403 -15.292 1.00 22.41 O ATOM 1285 CB VAL A 83 19.104 1.153 -17.466 1.00 72.20 C ATOM 1286 CG1 VAL A 83 19.437 -0.045 -18.356 1.00 12.30 C ATOM 1287 CG2 VAL A 83 17.655 1.089 -16.979 1.00 22.20 C ATOM 0 H VAL A 83 19.187 -0.301 -15.187 1.00 11.14 H new ATOM 0 HA VAL A 83 21.057 1.456 -16.707 1.00 50.45 H new ATOM 0 HB VAL A 83 19.217 2.056 -18.065 1.00 72.20 H new ATOM 0 HG11 VAL A 83 18.733 -0.088 -19.187 1.00 12.30 H new ATOM 0 HG12 VAL A 83 20.450 0.061 -18.744 1.00 12.30 H new ATOM 0 HG13 VAL A 83 19.366 -0.963 -17.772 1.00 12.30 H new ATOM 0 HG21 VAL A 83 16.985 1.023 -17.837 1.00 22.20 H new ATOM 0 HG22 VAL A 83 17.522 0.211 -16.347 1.00 22.20 H new ATOM 0 HG23 VAL A 83 17.424 1.987 -16.406 1.00 22.20 H new ATOM 1297 N GLY A 84 18.674 2.177 -14.559 1.00 42.12 N ATOM 1298 CA GLY A 84 18.236 3.174 -13.597 1.00 22.32 C ATOM 1299 C GLY A 84 16.712 3.320 -13.613 1.00 4.23 C ATOM 1300 O GLY A 84 16.044 2.795 -14.502 1.00 44.21 O ATOM 0 H GLY A 84 18.104 1.332 -14.587 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.567 2.891 -12.598 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.699 4.134 -13.826 1.00 22.32 H new ATOM 1304 N ILE A 85 16.208 4.034 -12.618 1.00 0.21 N ATOM 1305 CA ILE A 85 14.777 4.254 -12.505 1.00 22.34 C ATOM 1306 C ILE A 85 14.508 5.748 -12.312 1.00 73.43 C ATOM 1307 O ILE A 85 13.689 6.333 -13.019 1.00 55.21 O ATOM 1308 CB ILE A 85 14.183 3.376 -11.402 1.00 13.11 C ATOM 1309 CG1 ILE A 85 14.763 1.961 -11.457 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.655 3.372 -11.467 1.00 13.43 C ATOM 1311 CD1 ILE A 85 14.163 1.079 -10.360 1.00 71.13 C ATOM 0 H ILE A 85 16.766 4.468 -11.882 1.00 0.21 H new ATOM 0 HA ILE A 85 14.274 3.954 -13.424 1.00 22.34 H new ATOM 0 HB ILE A 85 14.462 3.802 -10.438 1.00 13.11 H new ATOM 0 HG12 ILE A 85 14.563 1.520 -12.433 1.00 31.10 H new ATOM 0 HG13 ILE A 85 15.846 2.003 -11.343 1.00 31.10 H new ATOM 0 HG21 ILE A 85 12.259 2.740 -10.672 1.00 13.43 H new ATOM 0 HG22 ILE A 85 12.283 4.389 -11.342 1.00 13.43 H new ATOM 0 HG23 ILE A 85 12.333 2.984 -12.433 1.00 13.43 H new ATOM 0 HD11 ILE A 85 14.592 0.079 -10.422 1.00 71.13 H new ATOM 0 HD12 ILE A 85 14.386 1.510 -9.384 1.00 71.13 H new ATOM 0 HD13 ILE A 85 13.083 1.019 -10.492 1.00 71.13 H new ATOM 1323 N LYS A 86 15.215 6.324 -11.350 1.00 70.13 N ATOM 1324 CA LYS A 86 15.064 7.739 -11.054 1.00 52.41 C ATOM 1325 C LYS A 86 13.594 8.039 -10.757 1.00 72.24 C ATOM 1326 O LYS A 86 13.158 9.186 -10.853 1.00 12.14 O ATOM 1327 CB LYS A 86 15.648 8.588 -12.187 1.00 14.22 C ATOM 1328 CG LYS A 86 16.220 9.900 -11.648 1.00 24.43 C ATOM 1329 CD LYS A 86 15.116 10.942 -11.458 1.00 71.23 C ATOM 1330 CE LYS A 86 15.673 12.361 -11.594 1.00 51.35 C ATOM 1331 NZ LYS A 86 14.584 13.358 -11.485 1.00 32.04 N1+ ATOM 0 H LYS A 86 15.894 5.836 -10.766 1.00 70.13 H new ATOM 0 HA LYS A 86 15.631 8.005 -10.162 1.00 52.41 H new ATOM 0 HB2 LYS A 86 16.431 8.029 -12.699 1.00 14.22 H new ATOM 0 HB3 LYS A 86 14.873 8.800 -12.924 1.00 14.22 H new ATOM 0 HG2 LYS A 86 16.722 9.719 -10.697 1.00 24.43 H new ATOM 0 HG3 LYS A 86 16.972 10.283 -12.337 1.00 24.43 H new ATOM 0 HD2 LYS A 86 14.330 10.783 -12.197 1.00 71.23 H new ATOM 0 HD3 LYS A 86 14.660 10.819 -10.476 1.00 71.23 H new ATOM 0 HE2 LYS A 86 16.418 12.541 -10.819 1.00 51.35 H new ATOM 0 HE3 LYS A 86 16.178 12.469 -12.554 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 14.979 14.315 -11.579 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 13.887 13.195 -12.240 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 14.120 13.265 -10.559 1.00 32.04 H new ATOM 1344 N LYS A 87 12.870 6.988 -10.400 1.00 51.43 N ATOM 1345 CA LYS A 87 11.457 7.125 -10.087 1.00 71.11 C ATOM 1346 C LYS A 87 11.249 6.909 -8.586 1.00 30.25 C ATOM 1347 O LYS A 87 12.034 6.218 -7.940 1.00 52.34 O ATOM 1348 CB LYS A 87 10.620 6.192 -10.964 1.00 51.42 C ATOM 1349 CG LYS A 87 10.526 6.723 -12.396 1.00 42.12 C ATOM 1350 CD LYS A 87 9.298 7.620 -12.567 1.00 3.45 C ATOM 1351 CE LYS A 87 8.038 6.784 -12.806 1.00 15.15 C ATOM 1352 NZ LYS A 87 7.508 6.268 -11.524 1.00 2.13 N1+ ATOM 0 H LYS A 87 13.235 6.039 -10.321 1.00 51.43 H new ATOM 0 HA LYS A 87 11.112 8.133 -10.316 1.00 71.11 H new ATOM 0 HB2 LYS A 87 11.064 5.197 -10.970 1.00 51.42 H new ATOM 0 HB3 LYS A 87 9.620 6.092 -10.543 1.00 51.42 H new ATOM 0 HG2 LYS A 87 11.428 7.284 -12.640 1.00 42.12 H new ATOM 0 HG3 LYS A 87 10.472 5.888 -13.095 1.00 42.12 H new ATOM 0 HD2 LYS A 87 9.167 8.236 -11.678 1.00 3.45 H new ATOM 0 HD3 LYS A 87 9.453 8.299 -13.405 1.00 3.45 H new ATOM 0 HE2 LYS A 87 7.280 7.391 -13.302 1.00 15.15 H new ATOM 0 HE3 LYS A 87 8.267 5.953 -13.473 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 7.449 5.230 -11.565 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 8.142 6.548 -10.748 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 6.560 6.662 -11.356 1.00 2.13 H new ATOM 1365 N LYS A 88 10.186 7.514 -8.077 1.00 73.34 N ATOM 1366 CA LYS A 88 9.865 7.397 -6.664 1.00 10.55 C ATOM 1367 C LYS A 88 8.946 6.191 -6.453 1.00 15.32 C ATOM 1368 O LYS A 88 9.327 5.224 -5.795 1.00 51.24 O ATOM 1369 CB LYS A 88 9.285 8.711 -6.135 1.00 73.43 C ATOM 1370 CG LYS A 88 10.131 9.904 -6.587 1.00 35.34 C ATOM 1371 CD LYS A 88 11.520 9.864 -5.948 1.00 1.31 C ATOM 1372 CE LYS A 88 12.396 11.005 -6.469 1.00 44.14 C ATOM 1373 NZ LYS A 88 13.812 10.781 -6.100 1.00 21.31 N1+ ATOM 0 H LYS A 88 9.536 8.086 -8.617 1.00 73.34 H new ATOM 0 HA LYS A 88 10.769 7.217 -6.082 1.00 10.55 H new ATOM 0 HB2 LYS A 88 8.262 8.830 -6.491 1.00 73.43 H new ATOM 0 HB3 LYS A 88 9.243 8.682 -5.046 1.00 73.43 H new ATOM 0 HG2 LYS A 88 10.226 9.897 -7.673 1.00 35.34 H new ATOM 0 HG3 LYS A 88 9.629 10.833 -6.317 1.00 35.34 H new ATOM 0 HD2 LYS A 88 11.428 9.937 -4.864 1.00 1.31 H new ATOM 0 HD3 LYS A 88 11.996 8.908 -6.164 1.00 1.31 H new ATOM 0 HE2 LYS A 88 12.303 11.077 -7.553 1.00 44.14 H new ATOM 0 HE3 LYS A 88 12.052 11.953 -6.056 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 14.393 11.564 -6.461 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 13.898 10.735 -5.065 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 14.141 9.886 -6.515 1.00 21.31 H new ATOM 1386 N GLU A 89 7.755 6.288 -7.024 1.00 4.13 N ATOM 1387 CA GLU A 89 6.779 5.218 -6.906 1.00 30.31 C ATOM 1388 C GLU A 89 7.364 3.906 -7.433 1.00 34.03 C ATOM 1389 O GLU A 89 7.356 2.894 -6.735 1.00 20.11 O ATOM 1390 CB GLU A 89 5.484 5.573 -7.638 1.00 13.22 C ATOM 1391 CG GLU A 89 4.591 6.465 -6.773 1.00 72.24 C ATOM 1392 CD GLU A 89 5.267 7.808 -6.491 1.00 43.14 C ATOM 1393 OE1 GLU A 89 5.822 8.006 -5.399 1.00 43.15 O ATOM 1394 OE2 GLU A 89 5.202 8.664 -7.454 1.00 73.44 O1- ATOM 0 H GLU A 89 7.443 7.091 -7.570 1.00 4.13 H new ATOM 0 HA GLU A 89 6.537 5.088 -5.851 1.00 30.31 H new ATOM 0 HB2 GLU A 89 5.718 6.084 -8.572 1.00 13.22 H new ATOM 0 HB3 GLU A 89 4.948 4.661 -7.900 1.00 13.22 H new ATOM 0 HG2 GLU A 89 3.639 6.632 -7.278 1.00 72.24 H new ATOM 0 HG3 GLU A 89 4.369 5.961 -5.832 1.00 72.24 H new ATOM 1402 N GLU A 90 7.860 3.966 -8.660 1.00 5.05 N ATOM 1403 CA GLU A 90 8.448 2.796 -9.288 1.00 64.24 C ATOM 1404 C GLU A 90 9.440 2.125 -8.337 1.00 42.35 C ATOM 1405 O GLU A 90 9.709 0.931 -8.456 1.00 45.31 O ATOM 1406 CB GLU A 90 9.121 3.164 -10.612 1.00 25.43 C ATOM 1407 CG GLU A 90 8.590 2.301 -11.758 1.00 31.10 C ATOM 1408 CD GLU A 90 7.593 3.082 -12.615 1.00 25.43 C ATOM 1409 OE1 GLU A 90 6.676 3.719 -12.077 1.00 53.11 O ATOM 1410 OE2 GLU A 90 7.798 3.013 -13.888 1.00 24.22 O1- ATOM 0 H GLU A 90 7.867 4.808 -9.236 1.00 5.05 H new ATOM 0 HA GLU A 90 7.650 2.087 -9.509 1.00 64.24 H new ATOM 0 HB2 GLU A 90 8.944 4.217 -10.833 1.00 25.43 H new ATOM 0 HB3 GLU A 90 10.200 3.034 -10.524 1.00 25.43 H new ATOM 0 HG2 GLU A 90 9.420 1.962 -12.378 1.00 31.10 H new ATOM 0 HG3 GLU A 90 8.109 1.410 -11.354 1.00 31.10 H new ATOM 1418 N ARG A 91 9.956 2.922 -7.413 1.00 31.35 N ATOM 1419 CA ARG A 91 10.912 2.419 -6.441 1.00 20.15 C ATOM 1420 C ARG A 91 10.217 2.143 -5.107 1.00 3.32 C ATOM 1421 O ARG A 91 10.695 1.338 -4.309 1.00 1.04 O ATOM 1422 CB ARG A 91 12.049 3.420 -6.219 1.00 14.11 C ATOM 1423 CG ARG A 91 13.216 3.142 -7.168 1.00 42.25 C ATOM 1424 CD ARG A 91 14.548 3.546 -6.531 1.00 41.32 C ATOM 1425 NE ARG A 91 14.532 4.986 -6.193 1.00 5.33 N ATOM 1426 CZ ARG A 91 14.761 5.976 -7.082 1.00 1.11 C ATOM 1427 NH1 ARG A 91 15.027 5.687 -8.374 1.00 41.21 N ATOM 1428 NH2 ARG A 91 14.722 7.228 -6.670 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.730 3.912 -7.317 1.00 31.35 H new ATOM 0 HA ARG A 91 11.330 1.493 -6.835 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.681 4.434 -6.376 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.393 3.362 -5.186 1.00 14.11 H new ATOM 0 HG2 ARG A 91 13.237 2.083 -7.424 1.00 42.25 H new ATOM 0 HG3 ARG A 91 13.072 3.691 -8.098 1.00 42.25 H new ATOM 0 HD2 ARG A 91 14.725 2.955 -5.632 1.00 41.32 H new ATOM 0 HD3 ARG A 91 15.368 3.334 -7.218 1.00 41.32 H new ATOM 0 HE ARG A 91 14.335 5.248 -5.227 1.00 5.33 H new ATOM 0 HH11 ARG A 91 15.056 4.716 -8.684 1.00 41.21 H new ATOM 0 HH12 ARG A 91 15.199 6.440 -9.040 1.00 41.21 H new ATOM 0 HH21 ARG A 91 14.521 7.437 -5.692 1.00 32.24 H new ATOM 0 HH22 ARG A 91 14.893 7.987 -7.329 1.00 32.24 H new ATOM 1441 N ALA A 92 9.100 2.827 -4.905 1.00 43.14 N ATOM 1442 CA ALA A 92 8.335 2.665 -3.680 1.00 61.50 C ATOM 1443 C ALA A 92 7.313 1.541 -3.868 1.00 12.24 C ATOM 1444 O ALA A 92 6.604 1.179 -2.930 1.00 11.23 O ATOM 1445 CB ALA A 92 7.676 3.995 -3.310 1.00 62.14 C ATOM 0 H ALA A 92 8.707 3.494 -5.569 1.00 43.14 H new ATOM 0 HA ALA A 92 8.988 2.384 -2.854 1.00 61.50 H new ATOM 0 HB1 ALA A 92 7.102 3.874 -2.391 1.00 62.14 H new ATOM 0 HB2 ALA A 92 8.445 4.753 -3.160 1.00 62.14 H new ATOM 0 HB3 ALA A 92 7.011 4.308 -4.115 1.00 62.14 H new ATOM 1451 N ASP A 93 7.270 1.020 -5.085 1.00 75.33 N ATOM 1452 CA ASP A 93 6.347 -0.055 -5.408 1.00 73.40 C ATOM 1453 C ASP A 93 7.126 -1.366 -5.541 1.00 31.00 C ATOM 1454 O ASP A 93 6.574 -2.443 -5.321 1.00 62.34 O ATOM 1455 CB ASP A 93 5.636 0.210 -6.735 1.00 62.14 C ATOM 1456 CG ASP A 93 6.395 -0.255 -7.980 1.00 74.20 C ATOM 1457 OD1 ASP A 93 7.632 -0.186 -8.037 1.00 71.11 O ATOM 1458 OD2 ASP A 93 5.654 -0.711 -8.933 1.00 64.24 O1- ATOM 0 H ASP A 93 7.860 1.322 -5.860 1.00 75.33 H new ATOM 0 HA ASP A 93 5.607 -0.117 -4.610 1.00 73.40 H new ATOM 0 HB2 ASP A 93 4.665 -0.284 -6.714 1.00 62.14 H new ATOM 0 HB3 ASP A 93 5.447 1.280 -6.821 1.00 62.14 H new ATOM 1464 N LEU A 94 8.393 -1.231 -5.900 1.00 12.24 N ATOM 1465 CA LEU A 94 9.252 -2.391 -6.065 1.00 1.33 C ATOM 1466 C LEU A 94 9.702 -2.888 -4.690 1.00 21.32 C ATOM 1467 O LEU A 94 9.718 -4.091 -4.435 1.00 4.12 O ATOM 1468 CB LEU A 94 10.411 -2.069 -7.012 1.00 1.22 C ATOM 1469 CG LEU A 94 11.421 -3.195 -7.241 1.00 64.13 C ATOM 1470 CD1 LEU A 94 12.442 -3.256 -6.103 1.00 14.55 C ATOM 1471 CD2 LEU A 94 10.712 -4.535 -7.447 1.00 54.24 C ATOM 0 H LEU A 94 8.846 -0.335 -6.082 1.00 12.24 H new ATOM 0 HA LEU A 94 8.703 -3.207 -6.535 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.996 -1.778 -7.977 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.945 -1.203 -6.620 1.00 1.22 H new ATOM 0 HG LEU A 94 11.972 -2.978 -8.156 1.00 64.13 H new ATOM 0 HD11 LEU A 94 13.148 -4.065 -6.291 1.00 14.55 H new ATOM 0 HD12 LEU A 94 12.981 -2.310 -6.046 1.00 14.55 H new ATOM 0 HD13 LEU A 94 11.926 -3.437 -5.160 1.00 14.55 H new ATOM 0 HD21 LEU A 94 11.453 -5.318 -7.608 1.00 54.24 H new ATOM 0 HD22 LEU A 94 10.119 -4.772 -6.564 1.00 54.24 H new ATOM 0 HD23 LEU A 94 10.058 -4.471 -8.317 1.00 54.24 H new ATOM 1483 N ILE A 95 10.055 -1.936 -3.839 1.00 21.15 N ATOM 1484 CA ILE A 95 10.503 -2.261 -2.496 1.00 63.21 C ATOM 1485 C ILE A 95 9.337 -2.858 -1.704 1.00 63.41 C ATOM 1486 O ILE A 95 9.524 -3.792 -0.925 1.00 23.11 O ATOM 1487 CB ILE A 95 11.135 -1.038 -1.830 1.00 43.12 C ATOM 1488 CG1 ILE A 95 12.288 -0.488 -2.674 1.00 32.14 C ATOM 1489 CG2 ILE A 95 11.574 -1.357 -0.400 1.00 73.02 C ATOM 1490 CD1 ILE A 95 12.715 0.896 -2.184 1.00 73.24 C ATOM 0 H ILE A 95 10.040 -0.939 -4.054 1.00 21.15 H new ATOM 0 HA ILE A 95 11.287 -3.017 -2.530 1.00 63.21 H new ATOM 0 HB ILE A 95 10.379 -0.255 -1.768 1.00 43.12 H new ATOM 0 HG12 ILE A 95 13.136 -1.172 -2.627 1.00 32.14 H new ATOM 0 HG13 ILE A 95 11.983 -0.430 -3.719 1.00 32.14 H new ATOM 0 HG21 ILE A 95 12.020 -0.470 0.050 1.00 73.02 H new ATOM 0 HG22 ILE A 95 10.708 -1.665 0.186 1.00 73.02 H new ATOM 0 HG23 ILE A 95 12.307 -2.163 -0.416 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.535 1.263 -2.801 1.00 73.24 H new ATOM 0 HD12 ILE A 95 11.872 1.583 -2.255 1.00 73.24 H new ATOM 0 HD13 ILE A 95 13.043 0.830 -1.147 1.00 73.24 H new ATOM 1502 N ALA A 96 8.160 -2.295 -1.931 1.00 32.22 N ATOM 1503 CA ALA A 96 6.964 -2.759 -1.248 1.00 61.14 C ATOM 1504 C ALA A 96 6.801 -4.262 -1.481 1.00 33.13 C ATOM 1505 O ALA A 96 6.700 -5.033 -0.528 1.00 22.11 O ATOM 1506 CB ALA A 96 5.755 -1.958 -1.738 1.00 55.41 C ATOM 0 H ALA A 96 8.008 -1.522 -2.578 1.00 32.22 H new ATOM 0 HA ALA A 96 7.048 -2.599 -0.173 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.857 -2.305 -1.227 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.908 -0.900 -1.524 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.637 -2.098 -2.813 1.00 55.41 H new ATOM 1512 N TYR A 97 6.780 -4.633 -2.752 1.00 60.33 N ATOM 1513 CA TYR A 97 6.631 -6.031 -3.122 1.00 13.11 C ATOM 1514 C TYR A 97 7.791 -6.868 -2.579 1.00 22.34 C ATOM 1515 O TYR A 97 7.581 -7.792 -1.796 1.00 64.42 O ATOM 1516 CB TYR A 97 6.662 -6.068 -4.651 1.00 3.14 C ATOM 1517 CG TYR A 97 7.007 -7.441 -5.233 1.00 15.05 C ATOM 1518 CD1 TYR A 97 6.623 -8.588 -4.568 1.00 21.51 C ATOM 1519 CD2 TYR A 97 7.702 -7.531 -6.422 1.00 74.52 C ATOM 1520 CE1 TYR A 97 6.948 -9.879 -5.116 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.026 -8.823 -6.970 1.00 1.23 C ATOM 1522 CZ TYR A 97 7.634 -9.933 -6.289 1.00 73.54 C ATOM 1523 OH TYR A 97 7.940 -11.153 -6.807 1.00 60.45 O ATOM 0 H TYR A 97 6.864 -3.990 -3.539 1.00 60.33 H new ATOM 0 HA TYR A 97 5.707 -6.440 -2.713 1.00 13.11 H new ATOM 0 HB2 TYR A 97 5.689 -5.757 -5.032 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.391 -5.340 -5.007 1.00 3.14 H new ATOM 0 HD1 TYR A 97 6.079 -8.517 -3.638 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.003 -6.633 -6.941 1.00 74.52 H new ATOM 0 HE1 TYR A 97 6.653 -10.785 -4.607 1.00 54.24 H new ATOM 0 HE2 TYR A 97 8.568 -8.908 -7.900 1.00 1.23 H new ATOM 0 HH TYR A 97 8.683 -11.063 -7.440 1.00 60.45 H new ATOM 1533 N LEU A 98 8.990 -6.513 -3.017 1.00 52.20 N ATOM 1534 CA LEU A 98 10.183 -7.221 -2.585 1.00 32.23 C ATOM 1535 C LEU A 98 10.071 -7.537 -1.092 1.00 0.11 C ATOM 1536 O LEU A 98 10.311 -8.669 -0.674 1.00 31.23 O ATOM 1537 CB LEU A 98 11.439 -6.428 -2.953 1.00 12.22 C ATOM 1538 CG LEU A 98 11.805 -6.402 -4.439 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.239 -5.909 -4.641 1.00 55.52 C ATOM 1540 CD2 LEU A 98 11.573 -7.770 -5.084 1.00 14.05 C ATOM 0 H LEU A 98 9.161 -5.745 -3.666 1.00 52.20 H new ATOM 0 HA LEU A 98 10.271 -8.174 -3.107 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.308 -5.401 -2.613 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.281 -6.842 -2.399 1.00 12.22 H new ATOM 0 HG LEU A 98 11.147 -5.693 -4.941 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.474 -5.900 -5.705 1.00 55.52 H new ATOM 0 HD12 LEU A 98 13.337 -4.901 -4.239 1.00 55.52 H new ATOM 0 HD13 LEU A 98 13.929 -6.575 -4.123 1.00 55.52 H new ATOM 0 HD21 LEU A 98 11.841 -7.725 -6.140 1.00 14.05 H new ATOM 0 HD22 LEU A 98 12.190 -8.517 -4.585 1.00 14.05 H new ATOM 0 HD23 LEU A 98 10.523 -8.044 -4.987 1.00 14.05 H new ATOM 1552 N LYS A 99 9.707 -6.516 -0.329 1.00 42.13 N ATOM 1553 CA LYS A 99 9.560 -6.672 1.108 1.00 65.14 C ATOM 1554 C LYS A 99 8.727 -7.922 1.399 1.00 74.10 C ATOM 1555 O LYS A 99 9.114 -8.754 2.218 1.00 12.40 O ATOM 1556 CB LYS A 99 8.991 -5.395 1.729 1.00 53.10 C ATOM 1557 CG LYS A 99 8.659 -5.606 3.207 1.00 51.40 C ATOM 1558 CD LYS A 99 9.619 -4.821 4.103 1.00 53.31 C ATOM 1559 CE LYS A 99 9.727 -5.462 5.488 1.00 14.20 C ATOM 1560 NZ LYS A 99 10.886 -4.912 6.225 1.00 30.50 N1+ ATOM 0 H LYS A 99 9.510 -5.578 -0.679 1.00 42.13 H new ATOM 0 HA LYS A 99 10.533 -6.821 1.577 1.00 65.14 H new ATOM 0 HB2 LYS A 99 9.712 -4.584 1.627 1.00 53.10 H new ATOM 0 HB3 LYS A 99 8.093 -5.093 1.190 1.00 53.10 H new ATOM 0 HG2 LYS A 99 7.634 -5.290 3.402 1.00 51.40 H new ATOM 0 HG3 LYS A 99 8.717 -6.667 3.448 1.00 51.40 H new ATOM 0 HD2 LYS A 99 10.605 -4.782 3.639 1.00 53.31 H new ATOM 0 HD3 LYS A 99 9.271 -3.793 4.201 1.00 53.31 H new ATOM 0 HE2 LYS A 99 8.811 -5.281 6.051 1.00 14.20 H new ATOM 0 HE3 LYS A 99 9.832 -6.542 5.388 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 11.216 -5.609 6.923 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 11.654 -4.701 5.556 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 10.603 -4.039 6.715 1.00 30.50 H new ATOM 1573 N LYS A 100 7.598 -8.016 0.711 1.00 45.50 N ATOM 1574 CA LYS A 100 6.708 -9.150 0.886 1.00 71.42 C ATOM 1575 C LYS A 100 7.325 -10.384 0.227 1.00 15.31 C ATOM 1576 O LYS A 100 7.025 -11.514 0.611 1.00 13.03 O ATOM 1577 CB LYS A 100 5.306 -8.815 0.370 1.00 23.01 C ATOM 1578 CG LYS A 100 4.255 -9.724 1.011 1.00 62.30 C ATOM 1579 CD LYS A 100 2.882 -9.513 0.367 1.00 21.42 C ATOM 1580 CE LYS A 100 2.090 -8.435 1.110 1.00 4.03 C ATOM 1581 NZ LYS A 100 1.799 -8.868 2.496 1.00 72.11 N1+ ATOM 0 H LYS A 100 7.280 -7.325 0.032 1.00 45.50 H new ATOM 0 HA LYS A 100 6.588 -9.380 1.945 1.00 71.42 H new ATOM 0 HB2 LYS A 100 5.073 -7.773 0.589 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.277 -8.927 -0.714 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.555 -10.766 0.903 1.00 62.30 H new ATOM 0 HG3 LYS A 100 4.195 -9.519 2.080 1.00 62.30 H new ATOM 0 HD2 LYS A 100 3.006 -9.224 -0.677 1.00 21.42 H new ATOM 0 HD3 LYS A 100 2.325 -10.450 0.375 1.00 21.42 H new ATOM 0 HE2 LYS A 100 2.657 -7.504 1.125 1.00 4.03 H new ATOM 0 HE3 LYS A 100 1.158 -8.232 0.583 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 0.922 -8.415 2.824 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 1.685 -9.901 2.520 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 2.585 -8.592 3.118 1.00 72.11 H new ATOM 1594 N ALA A 101 8.179 -10.128 -0.755 1.00 64.02 N ATOM 1595 CA ALA A 101 8.842 -11.204 -1.471 1.00 24.13 C ATOM 1596 C ALA A 101 9.980 -11.758 -0.611 1.00 72.45 C ATOM 1597 O ALA A 101 10.441 -12.876 -0.830 1.00 21.11 O ATOM 1598 CB ALA A 101 9.331 -10.691 -2.826 1.00 75.14 C ATOM 0 H ALA A 101 8.426 -9.190 -1.071 1.00 64.02 H new ATOM 0 HA ALA A 101 8.147 -12.021 -1.664 1.00 24.13 H new ATOM 0 HB1 ALA A 101 9.828 -11.499 -3.363 1.00 75.14 H new ATOM 0 HB2 ALA A 101 8.481 -10.337 -3.409 1.00 75.14 H new ATOM 0 HB3 ALA A 101 10.033 -9.871 -2.673 1.00 75.14 H new ATOM 1604 N THR A 102 10.400 -10.948 0.350 1.00 15.34 N ATOM 1605 CA THR A 102 11.475 -11.342 1.244 1.00 4.43 C ATOM 1606 C THR A 102 10.951 -11.506 2.671 1.00 51.23 C ATOM 1607 O THR A 102 11.710 -11.397 3.633 1.00 33.25 O ATOM 1608 CB THR A 102 12.594 -10.306 1.123 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.039 -9.127 1.699 1.00 60.21 O ATOM 1610 CG2 THR A 102 12.877 -9.914 -0.328 1.00 73.13 C ATOM 0 H THR A 102 10.015 -10.021 0.529 1.00 15.34 H new ATOM 0 HA THR A 102 11.881 -12.315 0.968 1.00 4.43 H new ATOM 0 HB THR A 102 13.504 -10.701 1.575 1.00 53.10 H new ATOM 0 HG1 THR A 102 11.398 -8.728 1.074 1.00 60.21 H new ATOM 0 HG21 THR A 102 13.679 -9.177 -0.356 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.176 -10.797 -0.892 1.00 73.13 H new ATOM 0 HG23 THR A 102 11.977 -9.488 -0.772 1.00 73.13 H new ATOM 1618 N ASN A 103 9.654 -11.764 2.764 1.00 70.44 N ATOM 1619 CA ASN A 103 9.017 -11.943 4.058 1.00 11.44 C ATOM 1620 C ASN A 103 8.647 -13.416 4.239 1.00 44.21 C ATOM 1621 O ASN A 103 8.374 -13.859 5.354 1.00 20.15 O ATOM 1622 CB ASN A 103 7.734 -11.117 4.160 1.00 54.20 C ATOM 1623 CG ASN A 103 6.996 -11.410 5.469 1.00 33.53 C ATOM 1624 OD1 ASN A 103 7.563 -11.394 6.549 1.00 4.43 O ATOM 1625 ND2 ASN A 103 5.703 -11.677 5.311 1.00 23.31 N ATOM 0 H ASN A 103 9.027 -11.853 1.964 1.00 70.44 H new ATOM 0 HA ASN A 103 9.717 -11.616 4.827 1.00 11.44 H new ATOM 0 HB2 ASN A 103 7.975 -10.055 4.104 1.00 54.20 H new ATOM 0 HB3 ASN A 103 7.084 -11.341 3.314 1.00 54.20 H new ATOM 0 HD21 ASN A 103 5.122 -11.885 6.123 1.00 23.31 H new ATOM 0 HD22 ASN A 103 5.292 -11.674 4.378 1.00 23.31 H new ATOM 1632 N GLU A 104 8.648 -14.135 3.127 1.00 23.13 N ATOM 1633 CA GLU A 104 8.316 -15.549 3.148 1.00 54.13 C ATOM 1634 C GLU A 104 9.564 -16.383 3.443 1.00 73.12 C ATOM 1635 O GLU A 104 10.674 -15.995 3.083 1.00 31.02 O ATOM 1636 CB GLU A 104 7.668 -15.981 1.831 1.00 64.13 C ATOM 1637 CG GLU A 104 6.661 -14.934 1.348 1.00 74.30 C ATOM 1638 CD GLU A 104 6.036 -15.351 0.015 1.00 30.24 C ATOM 1639 OE1 GLU A 104 6.312 -14.729 -1.021 1.00 70.41 O ATOM 1640 OE2 GLU A 104 5.236 -16.360 0.080 1.00 71.21 O1- ATOM 0 H GLU A 104 8.874 -13.764 2.204 1.00 23.13 H new ATOM 0 HA GLU A 104 7.591 -15.719 3.944 1.00 54.13 H new ATOM 0 HB2 GLU A 104 8.438 -16.128 1.073 1.00 64.13 H new ATOM 0 HB3 GLU A 104 7.166 -16.939 1.965 1.00 64.13 H new ATOM 0 HG2 GLU A 104 5.879 -14.804 2.096 1.00 74.30 H new ATOM 0 HG3 GLU A 104 7.158 -13.970 1.235 1.00 74.30 H new