USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 778 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: X 91 LYS NZ :NH3+ -146:sc= -8.31! (180deg=-2.53) USER MOD Set 1.2: X 95 LYS NZ :NH3+ -143:sc= -2.49! (180deg=0) USER MOD Set 2.1: X 90 ASN :FLIP amide:sc= -6! C(o=-14!,f=-8.8!) USER MOD Set 2.2: X 94 GLN :FLIP amide:sc= -2.83! C(o=-15!,f=-8.8!) USER MOD Set 3.1: X 77 ASN : amide:sc= 0.143 K(o=-1.4,f=-5.4!) USER MOD Set 3.2: X 81 LYS NZ :NH3+ -111:sc= -1.55 (180deg=-2.18!) USER MOD Single : X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 10 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0888) USER MOD Single : X 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 17 ASN : amide:sc= -2.39! C(o=-2.4!,f=-6.6!) USER MOD Single : X 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 35 ASN : amide:sc= -3.51! C(o=-3.5!,f=-7.3!) USER MOD Single : X 36 SER OG : rot 180:sc= 0 USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 LYS NZ :NH3+ 154:sc= -0.0987 (180deg=-0.603) USER MOD Single : X 46 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : X 47 GLN :FLIP amide:sc= -0.0242 F(o=-1.6!,f=-0.024) USER MOD Single : X 53 ASN : amide:sc= -11.2! C(o=-11!,f=-12!) USER MOD Single : X 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 60 TYR OH : rot 180:sc= 0 USER MOD Single : X 62 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 69 CYS SG : rot 180:sc= -1.84 USER MOD Single : X 70 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0694) USER MOD Single : X 72 HIS : no HD1:sc= -13.9! C(o=-14!,f=-25!) USER MOD Single : X 73 ASN : amide:sc= -0.844 K(o=-0.84,f=-1.4!) USER MOD Single : X 84 GLN : amide:sc=-0.00707 K(o=-0.0071,f=-1.9!) USER MOD Single : X 89 HIS : no HE2:sc= -7.32! C(o=-7.3!,f=-9.1!) USER MOD Single : X 96 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.19) USER MOD Single : X 97 TYR OH : rot 180:sc= 0 USER MOD Single : X 101 THR OG1 : rot 24:sc= 0.677 USER MOD ----------------------------------------------------------------- ATOM 54 N LYS X 4 -11.573 -11.596 -2.172 1.00 52.15 N ATOM 55 CA LYS X 4 -11.025 -10.718 -3.247 1.00 51.42 C ATOM 56 C LYS X 4 -10.193 -9.586 -2.622 1.00 14.52 C ATOM 57 O LYS X 4 -9.157 -9.210 -3.130 1.00 43.43 O ATOM 58 CB LYS X 4 -12.190 -10.122 -4.051 1.00 63.21 C ATOM 59 CG LYS X 4 -12.893 -11.232 -4.844 1.00 64.34 C ATOM 60 CD LYS X 4 -14.118 -10.655 -5.563 1.00 64.45 C ATOM 61 CE LYS X 4 -13.671 -9.895 -6.816 1.00 62.12 C ATOM 62 NZ LYS X 4 -14.861 -9.583 -7.662 1.00 55.51 N ATOM 0 HA LYS X 4 -10.385 -11.304 -3.907 1.00 51.42 H new ATOM 0 HB2 LYS X 4 -12.898 -9.638 -3.379 1.00 63.21 H new ATOM 0 HB3 LYS X 4 -11.820 -9.355 -4.731 1.00 63.21 H new ATOM 0 HG2 LYS X 4 -12.205 -11.666 -5.569 1.00 64.34 H new ATOM 0 HG3 LYS X 4 -13.198 -12.035 -4.173 1.00 64.34 H new ATOM 0 HD2 LYS X 4 -14.802 -11.458 -5.838 1.00 64.45 H new ATOM 0 HD3 LYS X 4 -14.662 -9.987 -4.896 1.00 64.45 H new ATOM 0 HE2 LYS X 4 -13.162 -8.974 -6.533 1.00 62.12 H new ATOM 0 HE3 LYS X 4 -12.957 -10.493 -7.381 1.00 62.12 H new ATOM 0 HZ1 LYS X 4 -14.557 -9.067 -8.512 1.00 55.51 H new ATOM 0 HZ2 LYS X 4 -15.329 -10.468 -7.943 1.00 55.51 H new ATOM 0 HZ3 LYS X 4 -15.527 -8.996 -7.121 1.00 55.51 H new ATOM 76 N LEU X 5 -10.649 -9.044 -1.523 1.00 23.41 N ATOM 77 CA LEU X 5 -9.888 -7.957 -0.833 1.00 62.04 C ATOM 78 C LEU X 5 -8.505 -8.473 -0.429 1.00 43.34 C ATOM 79 O LEU X 5 -7.535 -7.741 -0.409 1.00 44.02 O ATOM 80 CB LEU X 5 -10.671 -7.544 0.419 1.00 62.32 C ATOM 81 CG LEU X 5 -10.251 -6.147 0.889 1.00 22.32 C ATOM 82 CD1 LEU X 5 -11.466 -5.436 1.489 1.00 51.13 C ATOM 83 CD2 LEU X 5 -9.169 -6.273 1.965 1.00 34.41 C ATOM 0 H LEU X 5 -11.523 -9.309 -1.069 1.00 23.41 H new ATOM 0 HA LEU X 5 -9.764 -7.103 -1.499 1.00 62.04 H new ATOM 0 HB2 LEU X 5 -11.740 -7.554 0.205 1.00 62.32 H new ATOM 0 HB3 LEU X 5 -10.499 -8.267 1.216 1.00 62.32 H new ATOM 0 HG LEU X 5 -9.863 -5.579 0.043 1.00 22.32 H new ATOM 0 HD11 LEU X 5 -11.176 -4.441 1.826 1.00 51.13 H new ATOM 0 HD12 LEU X 5 -12.247 -5.350 0.733 1.00 51.13 H new ATOM 0 HD13 LEU X 5 -11.842 -6.010 2.336 1.00 51.13 H new ATOM 0 HD21 LEU X 5 -8.871 -5.279 2.299 1.00 34.41 H new ATOM 0 HD22 LEU X 5 -9.561 -6.838 2.811 1.00 34.41 H new ATOM 0 HD23 LEU X 5 -8.304 -6.792 1.552 1.00 34.41 H new ATOM 95 N ALA X 6 -8.414 -9.732 -0.099 1.00 2.22 N ATOM 96 CA ALA X 6 -7.100 -10.318 0.295 1.00 51.22 C ATOM 97 C ALA X 6 -6.114 -10.275 -0.879 1.00 72.23 C ATOM 98 O ALA X 6 -5.010 -9.788 -0.752 1.00 52.14 O ATOM 99 CB ALA X 6 -7.307 -11.773 0.719 1.00 71.23 C ATOM 0 H ALA X 6 -9.198 -10.384 -0.085 1.00 2.22 H new ATOM 0 HA ALA X 6 -6.690 -9.736 1.121 1.00 51.22 H new ATOM 0 HB1 ALA X 6 -6.350 -12.207 1.008 1.00 71.23 H new ATOM 0 HB2 ALA X 6 -7.993 -11.811 1.565 1.00 71.23 H new ATOM 0 HB3 ALA X 6 -7.725 -12.339 -0.114 1.00 71.23 H new ATOM 105 N GLU X 7 -6.497 -10.794 -2.015 1.00 41.10 N ATOM 106 CA GLU X 7 -5.579 -10.770 -3.191 1.00 41.35 C ATOM 107 C GLU X 7 -5.169 -9.327 -3.504 1.00 43.42 C ATOM 108 O GLU X 7 -4.090 -9.074 -4.002 1.00 11.00 O ATOM 109 CB GLU X 7 -6.290 -11.367 -4.406 1.00 33.42 C ATOM 110 CG GLU X 7 -6.574 -12.852 -4.160 1.00 64.12 C ATOM 111 CD GLU X 7 -5.255 -13.620 -4.069 1.00 4.53 C ATOM 112 OE1 GLU X 7 -4.441 -13.469 -4.965 1.00 73.02 O ATOM 113 OE2 GLU X 7 -5.080 -14.347 -3.106 1.00 54.31 O ATOM 0 H GLU X 7 -7.403 -11.232 -2.179 1.00 41.10 H new ATOM 0 HA GLU X 7 -4.689 -11.356 -2.960 1.00 41.35 H new ATOM 0 HB2 GLU X 7 -7.223 -10.834 -4.592 1.00 33.42 H new ATOM 0 HB3 GLU X 7 -5.672 -11.248 -5.296 1.00 33.42 H new ATOM 0 HG2 GLU X 7 -7.142 -12.976 -3.238 1.00 64.12 H new ATOM 0 HG3 GLU X 7 -7.185 -13.254 -4.968 1.00 64.12 H new ATOM 120 N ILE X 8 -6.022 -8.380 -3.222 1.00 32.53 N ATOM 121 CA ILE X 8 -5.677 -6.954 -3.494 1.00 75.11 C ATOM 122 C ILE X 8 -4.479 -6.535 -2.632 1.00 54.43 C ATOM 123 O ILE X 8 -3.538 -5.934 -3.111 1.00 24.33 O ATOM 124 CB ILE X 8 -6.871 -6.068 -3.149 1.00 31.11 C ATOM 125 CG1 ILE X 8 -7.975 -6.258 -4.194 1.00 1.40 C ATOM 126 CG2 ILE X 8 -6.429 -4.605 -3.131 1.00 51.31 C ATOM 127 CD1 ILE X 8 -9.248 -5.544 -3.731 1.00 75.31 C ATOM 0 H ILE X 8 -6.945 -8.532 -2.814 1.00 32.53 H new ATOM 0 HA ILE X 8 -5.424 -6.843 -4.548 1.00 75.11 H new ATOM 0 HB ILE X 8 -7.255 -6.345 -2.167 1.00 31.11 H new ATOM 0 HG12 ILE X 8 -7.652 -5.860 -5.156 1.00 1.40 H new ATOM 0 HG13 ILE X 8 -8.174 -7.320 -4.339 1.00 1.40 H new ATOM 0 HG21 ILE X 8 -7.281 -3.971 -2.885 1.00 51.31 H new ATOM 0 HG22 ILE X 8 -5.648 -4.470 -2.383 1.00 51.31 H new ATOM 0 HG23 ILE X 8 -6.043 -4.329 -4.112 1.00 51.31 H new ATOM 0 HD11 ILE X 8 -10.033 -5.680 -4.475 1.00 75.31 H new ATOM 0 HD12 ILE X 8 -9.574 -5.963 -2.779 1.00 75.31 H new ATOM 0 HD13 ILE X 8 -9.044 -4.480 -3.609 1.00 75.31 H new ATOM 139 N ARG X 9 -4.510 -6.844 -1.362 1.00 10.22 N ATOM 140 CA ARG X 9 -3.382 -6.452 -0.471 1.00 52.14 C ATOM 141 C ARG X 9 -2.121 -7.235 -0.876 1.00 22.52 C ATOM 142 O ARG X 9 -1.007 -6.818 -0.615 1.00 14.14 O ATOM 143 CB ARG X 9 -3.762 -6.753 0.985 1.00 14.43 C ATOM 144 CG ARG X 9 -4.115 -5.439 1.702 1.00 41.23 C ATOM 145 CD ARG X 9 -5.323 -4.794 1.023 1.00 21.02 C ATOM 146 NE ARG X 9 -6.057 -3.920 1.997 1.00 23.31 N ATOM 147 CZ ARG X 9 -6.565 -4.445 3.084 1.00 73.25 C ATOM 148 NH1 ARG X 9 -6.554 -5.742 3.244 1.00 14.21 N ATOM 149 NH2 ARG X 9 -7.153 -3.686 3.972 1.00 51.23 N ATOM 0 H ARG X 9 -5.268 -7.351 -0.905 1.00 10.22 H new ATOM 0 HA ARG X 9 -3.178 -5.386 -0.567 1.00 52.14 H new ATOM 0 HB2 ARG X 9 -4.610 -7.437 1.017 1.00 14.43 H new ATOM 0 HB3 ARG X 9 -2.934 -7.247 1.494 1.00 14.43 H new ATOM 0 HG2 ARG X 9 -4.336 -5.633 2.752 1.00 41.23 H new ATOM 0 HG3 ARG X 9 -3.264 -4.759 1.676 1.00 41.23 H new ATOM 0 HD2 ARG X 9 -4.996 -4.203 0.167 1.00 21.02 H new ATOM 0 HD3 ARG X 9 -5.991 -5.566 0.641 1.00 21.02 H new ATOM 0 HE ARG X 9 -6.160 -2.922 1.813 1.00 23.31 H new ATOM 0 HH11 ARG X 9 -6.151 -6.341 2.524 1.00 14.21 H new ATOM 0 HH12 ARG X 9 -6.949 -6.155 4.089 1.00 14.21 H new ATOM 0 HH21 ARG X 9 -7.218 -2.679 3.820 1.00 51.23 H new ATOM 0 HH22 ARG X 9 -7.547 -4.101 4.817 1.00 51.23 H new ATOM 163 N LYS X 10 -2.287 -8.356 -1.530 1.00 74.42 N ATOM 164 CA LYS X 10 -1.104 -9.157 -1.957 1.00 44.25 C ATOM 165 C LYS X 10 -0.391 -8.397 -3.080 1.00 60.44 C ATOM 166 O LYS X 10 0.823 -8.362 -3.148 1.00 43.15 O ATOM 167 CB LYS X 10 -1.573 -10.531 -2.461 1.00 52.12 C ATOM 168 CG LYS X 10 -1.985 -11.412 -1.270 1.00 52.31 C ATOM 169 CD LYS X 10 -2.273 -12.835 -1.760 1.00 63.24 C ATOM 170 CE LYS X 10 -2.813 -13.681 -0.603 1.00 55.55 C ATOM 171 NZ LYS X 10 -1.715 -13.948 0.374 1.00 1.32 N ATOM 0 H LYS X 10 -3.192 -8.750 -1.786 1.00 74.42 H new ATOM 0 HA LYS X 10 -0.421 -9.307 -1.121 1.00 44.25 H new ATOM 0 HB2 LYS X 10 -2.414 -10.410 -3.143 1.00 52.12 H new ATOM 0 HB3 LYS X 10 -0.774 -11.014 -3.023 1.00 52.12 H new ATOM 0 HG2 LYS X 10 -1.191 -11.427 -0.524 1.00 52.31 H new ATOM 0 HG3 LYS X 10 -2.869 -10.997 -0.786 1.00 52.31 H new ATOM 0 HD2 LYS X 10 -2.998 -12.810 -2.574 1.00 63.24 H new ATOM 0 HD3 LYS X 10 -1.363 -13.284 -2.158 1.00 63.24 H new ATOM 0 HE2 LYS X 10 -3.634 -13.160 -0.110 1.00 55.55 H new ATOM 0 HE3 LYS X 10 -3.214 -14.621 -0.982 1.00 55.55 H new ATOM 0 HZ1 LYS X 10 -2.031 -14.657 1.066 1.00 1.32 H new ATOM 0 HZ2 LYS X 10 -0.880 -14.307 -0.132 1.00 1.32 H new ATOM 0 HZ3 LYS X 10 -1.468 -13.067 0.868 1.00 1.32 H new ATOM 185 N LYS X 11 -1.143 -7.768 -3.950 1.00 31.31 N ATOM 186 CA LYS X 11 -0.516 -6.994 -5.060 1.00 5.35 C ATOM 187 C LYS X 11 0.259 -5.826 -4.448 1.00 41.13 C ATOM 188 O LYS X 11 1.352 -5.499 -4.867 1.00 14.40 O ATOM 189 CB LYS X 11 -1.602 -6.454 -6.008 1.00 45.03 C ATOM 190 CG LYS X 11 -2.670 -7.529 -6.251 1.00 21.24 C ATOM 191 CD LYS X 11 -3.058 -7.548 -7.734 1.00 30.51 C ATOM 192 CE LYS X 11 -3.377 -6.126 -8.202 1.00 11.34 C ATOM 193 NZ LYS X 11 -4.570 -6.150 -9.098 1.00 34.04 N ATOM 0 H LYS X 11 -2.163 -7.759 -3.937 1.00 31.31 H new ATOM 0 HA LYS X 11 0.153 -7.637 -5.631 1.00 5.35 H new ATOM 0 HB2 LYS X 11 -2.062 -5.564 -5.578 1.00 45.03 H new ATOM 0 HB3 LYS X 11 -1.153 -6.155 -6.955 1.00 45.03 H new ATOM 0 HG2 LYS X 11 -2.290 -8.506 -5.952 1.00 21.24 H new ATOM 0 HG3 LYS X 11 -3.549 -7.327 -5.638 1.00 21.24 H new ATOM 0 HD2 LYS X 11 -2.243 -7.962 -8.328 1.00 30.51 H new ATOM 0 HD3 LYS X 11 -3.923 -8.194 -7.885 1.00 30.51 H new ATOM 0 HE2 LYS X 11 -3.568 -5.484 -7.342 1.00 11.34 H new ATOM 0 HE3 LYS X 11 -2.521 -5.706 -8.730 1.00 11.34 H new ATOM 0 HZ1 LYS X 11 -4.785 -5.183 -9.415 1.00 34.04 H new ATOM 0 HZ2 LYS X 11 -4.371 -6.749 -9.924 1.00 34.04 H new ATOM 0 HZ3 LYS X 11 -5.386 -6.534 -8.580 1.00 34.04 H new ATOM 207 N ILE X 12 -0.302 -5.204 -3.442 1.00 43.21 N ATOM 208 CA ILE X 12 0.387 -4.051 -2.795 1.00 73.24 C ATOM 209 C ILE X 12 1.723 -4.538 -2.236 1.00 14.44 C ATOM 210 O ILE X 12 2.711 -3.830 -2.238 1.00 50.33 O ATOM 211 CB ILE X 12 -0.481 -3.512 -1.650 1.00 33.34 C ATOM 212 CG1 ILE X 12 -1.905 -3.242 -2.150 1.00 32.35 C ATOM 213 CG2 ILE X 12 0.119 -2.208 -1.122 1.00 70.11 C ATOM 214 CD1 ILE X 12 -1.858 -2.402 -3.426 1.00 24.34 C ATOM 0 H ILE X 12 -1.208 -5.447 -3.042 1.00 43.21 H new ATOM 0 HA ILE X 12 0.552 -3.256 -3.522 1.00 73.24 H new ATOM 0 HB ILE X 12 -0.513 -4.255 -0.853 1.00 33.34 H new ATOM 0 HG12 ILE X 12 -2.417 -4.185 -2.344 1.00 32.35 H new ATOM 0 HG13 ILE X 12 -2.477 -2.721 -1.382 1.00 32.35 H new ATOM 0 HG21 ILE X 12 -0.499 -1.826 -0.309 1.00 70.11 H new ATOM 0 HG22 ILE X 12 1.128 -2.394 -0.755 1.00 70.11 H new ATOM 0 HG23 ILE X 12 0.156 -1.473 -1.926 1.00 70.11 H new ATOM 0 HD11 ILE X 12 -2.873 -2.214 -3.776 1.00 24.34 H new ATOM 0 HD12 ILE X 12 -1.364 -1.453 -3.219 1.00 24.34 H new ATOM 0 HD13 ILE X 12 -1.303 -2.939 -4.195 1.00 24.34 H new ATOM 226 N ASP X 13 1.756 -5.756 -1.763 1.00 63.41 N ATOM 227 CA ASP X 13 3.015 -6.314 -1.197 1.00 21.14 C ATOM 228 C ASP X 13 4.090 -6.317 -2.286 1.00 62.13 C ATOM 229 O ASP X 13 5.234 -5.985 -2.046 1.00 30.12 O ATOM 230 CB ASP X 13 2.758 -7.747 -0.713 1.00 60.11 C ATOM 231 CG ASP X 13 1.881 -7.724 0.542 1.00 41.41 C ATOM 232 OD1 ASP X 13 1.655 -6.644 1.062 1.00 21.15 O ATOM 233 OD2 ASP X 13 1.455 -8.786 0.961 1.00 24.30 O ATOM 0 H ASP X 13 0.958 -6.391 -1.745 1.00 63.41 H new ATOM 0 HA ASP X 13 3.351 -5.707 -0.357 1.00 21.14 H new ATOM 0 HB2 ASP X 13 2.269 -8.323 -1.498 1.00 60.11 H new ATOM 0 HB3 ASP X 13 3.705 -8.242 -0.497 1.00 60.11 H new ATOM 238 N GLU X 14 3.726 -6.683 -3.486 1.00 22.41 N ATOM 239 CA GLU X 14 4.712 -6.676 -4.603 1.00 31.43 C ATOM 240 C GLU X 14 5.171 -5.238 -4.850 1.00 42.01 C ATOM 241 O GLU X 14 6.296 -4.990 -5.235 1.00 74.03 O ATOM 242 CB GLU X 14 4.053 -7.226 -5.873 1.00 74.51 C ATOM 243 CG GLU X 14 3.760 -8.721 -5.705 1.00 71.42 C ATOM 244 CD GLU X 14 3.052 -9.243 -6.958 1.00 4.10 C ATOM 245 OE1 GLU X 14 2.830 -8.454 -7.861 1.00 4.10 O ATOM 246 OE2 GLU X 14 2.745 -10.423 -6.994 1.00 40.13 O ATOM 0 H GLU X 14 2.786 -6.987 -3.740 1.00 22.41 H new ATOM 0 HA GLU X 14 5.568 -7.299 -4.343 1.00 31.43 H new ATOM 0 HB2 GLU X 14 3.128 -6.686 -6.076 1.00 74.51 H new ATOM 0 HB3 GLU X 14 4.708 -7.069 -6.730 1.00 74.51 H new ATOM 0 HG2 GLU X 14 4.688 -9.269 -5.543 1.00 71.42 H new ATOM 0 HG3 GLU X 14 3.136 -8.884 -4.826 1.00 71.42 H new ATOM 253 N ILE X 15 4.300 -4.287 -4.624 1.00 42.15 N ATOM 254 CA ILE X 15 4.678 -2.856 -4.826 1.00 70.32 C ATOM 255 C ILE X 15 5.446 -2.358 -3.596 1.00 52.54 C ATOM 256 O ILE X 15 6.276 -1.474 -3.683 1.00 64.24 O ATOM 257 CB ILE X 15 3.414 -2.004 -5.000 1.00 11.41 C ATOM 258 CG1 ILE X 15 2.887 -2.134 -6.433 1.00 53.34 C ATOM 259 CG2 ILE X 15 3.750 -0.540 -4.717 1.00 32.34 C ATOM 260 CD1 ILE X 15 2.055 -3.416 -6.557 1.00 64.11 C ATOM 0 H ILE X 15 3.342 -4.441 -4.308 1.00 42.15 H new ATOM 0 HA ILE X 15 5.301 -2.772 -5.717 1.00 70.32 H new ATOM 0 HB ILE X 15 2.650 -2.351 -4.305 1.00 11.41 H new ATOM 0 HG12 ILE X 15 2.278 -1.267 -6.688 1.00 53.34 H new ATOM 0 HG13 ILE X 15 3.719 -2.158 -7.137 1.00 53.34 H new ATOM 0 HG21 ILE X 15 2.854 0.069 -4.840 1.00 32.34 H new ATOM 0 HG22 ILE X 15 4.119 -0.442 -3.696 1.00 32.34 H new ATOM 0 HG23 ILE X 15 4.517 -0.202 -5.414 1.00 32.34 H new ATOM 0 HD11 ILE X 15 1.680 -3.509 -7.576 1.00 64.11 H new ATOM 0 HD12 ILE X 15 2.678 -4.278 -6.319 1.00 64.11 H new ATOM 0 HD13 ILE X 15 1.215 -3.373 -5.864 1.00 64.11 H new ATOM 272 N ASP X 16 5.169 -2.923 -2.453 1.00 1.41 N ATOM 273 CA ASP X 16 5.868 -2.493 -1.210 1.00 14.24 C ATOM 274 C ASP X 16 7.375 -2.717 -1.365 1.00 21.12 C ATOM 275 O ASP X 16 8.173 -1.834 -1.119 1.00 55.21 O ATOM 276 CB ASP X 16 5.331 -3.313 -0.029 1.00 11.34 C ATOM 277 CG ASP X 16 3.910 -2.858 0.319 1.00 20.42 C ATOM 278 OD1 ASP X 16 3.472 -1.869 -0.244 1.00 52.11 O ATOM 279 OD2 ASP X 16 3.288 -3.510 1.137 1.00 21.51 O ATOM 0 H ASP X 16 4.484 -3.668 -2.327 1.00 1.41 H new ATOM 0 HA ASP X 16 5.688 -1.433 -1.028 1.00 14.24 H new ATOM 0 HB2 ASP X 16 5.331 -4.373 -0.281 1.00 11.34 H new ATOM 0 HB3 ASP X 16 5.983 -3.191 0.836 1.00 11.34 H new ATOM 284 N ASN X 17 7.771 -3.894 -1.763 1.00 11.55 N ATOM 285 CA ASN X 17 9.222 -4.174 -1.957 1.00 31.14 C ATOM 286 C ASN X 17 9.786 -3.239 -3.028 1.00 52.35 C ATOM 287 O ASN X 17 10.909 -2.785 -2.943 1.00 32.13 O ATOM 288 CB ASN X 17 9.401 -5.622 -2.408 1.00 44.11 C ATOM 289 CG ASN X 17 9.072 -6.566 -1.250 1.00 61.33 C ATOM 290 OD1 ASN X 17 9.071 -6.168 -0.100 1.00 45.44 O ATOM 291 ND2 ASN X 17 8.795 -7.819 -1.505 1.00 64.33 N ATOM 0 H ASN X 17 7.150 -4.678 -1.963 1.00 11.55 H new ATOM 0 HA ASN X 17 9.751 -4.012 -1.018 1.00 31.14 H new ATOM 0 HB2 ASN X 17 8.751 -5.832 -3.257 1.00 44.11 H new ATOM 0 HB3 ASN X 17 10.425 -5.785 -2.743 1.00 44.11 H new ATOM 0 HD21 ASN X 17 8.579 -8.459 -0.741 1.00 64.33 H new ATOM 0 HD22 ASN X 17 8.795 -8.156 -2.468 1.00 64.33 H new ATOM 298 N LYS X 18 9.015 -2.968 -4.048 1.00 1.21 N ATOM 299 CA LYS X 18 9.504 -2.099 -5.165 1.00 54.12 C ATOM 300 C LYS X 18 9.873 -0.708 -4.635 1.00 65.11 C ATOM 301 O LYS X 18 10.898 -0.157 -4.981 1.00 30.41 O ATOM 302 CB LYS X 18 8.393 -1.974 -6.217 1.00 42.22 C ATOM 303 CG LYS X 18 8.910 -1.231 -7.454 1.00 44.32 C ATOM 304 CD LYS X 18 7.788 -1.150 -8.498 1.00 51.33 C ATOM 305 CE LYS X 18 8.307 -0.477 -9.774 1.00 41.30 C ATOM 306 NZ LYS X 18 7.241 -0.498 -10.819 1.00 22.15 N ATOM 0 H LYS X 18 8.061 -3.312 -4.158 1.00 1.21 H new ATOM 0 HA LYS X 18 10.392 -2.547 -5.611 1.00 54.12 H new ATOM 0 HB2 LYS X 18 8.040 -2.965 -6.501 1.00 42.22 H new ATOM 0 HB3 LYS X 18 7.541 -1.441 -5.794 1.00 42.22 H new ATOM 0 HG2 LYS X 18 9.241 -0.229 -7.180 1.00 44.32 H new ATOM 0 HG3 LYS X 18 9.774 -1.749 -7.870 1.00 44.32 H new ATOM 0 HD2 LYS X 18 7.421 -2.150 -8.728 1.00 51.33 H new ATOM 0 HD3 LYS X 18 6.946 -0.586 -8.096 1.00 51.33 H new ATOM 0 HE2 LYS X 18 8.602 0.551 -9.561 1.00 41.30 H new ATOM 0 HE3 LYS X 18 9.195 -0.995 -10.135 1.00 41.30 H new ATOM 0 HZ1 LYS X 18 7.594 -0.041 -11.684 1.00 22.15 H new ATOM 0 HZ2 LYS X 18 6.980 -1.483 -11.029 1.00 22.15 H new ATOM 0 HZ3 LYS X 18 6.405 0.015 -10.473 1.00 22.15 H new ATOM 320 N ILE X 19 9.044 -0.128 -3.806 1.00 64.10 N ATOM 321 CA ILE X 19 9.359 1.229 -3.266 1.00 23.24 C ATOM 322 C ILE X 19 10.500 1.139 -2.247 1.00 73.11 C ATOM 323 O ILE X 19 11.222 2.092 -2.029 1.00 40.50 O ATOM 324 CB ILE X 19 8.111 1.811 -2.601 1.00 73.31 C ATOM 325 CG1 ILE X 19 8.462 3.152 -1.941 1.00 71.33 C ATOM 326 CG2 ILE X 19 7.582 0.833 -1.550 1.00 73.03 C ATOM 327 CD1 ILE X 19 8.712 2.951 -0.445 1.00 44.32 C ATOM 0 H ILE X 19 8.166 -0.533 -3.481 1.00 64.10 H new ATOM 0 HA ILE X 19 9.672 1.878 -4.084 1.00 23.24 H new ATOM 0 HB ILE X 19 7.339 1.973 -3.354 1.00 73.31 H new ATOM 0 HG12 ILE X 19 9.348 3.577 -2.412 1.00 71.33 H new ATOM 0 HG13 ILE X 19 7.650 3.863 -2.090 1.00 71.33 H new ATOM 0 HG21 ILE X 19 6.693 1.251 -1.079 1.00 73.03 H new ATOM 0 HG22 ILE X 19 7.328 -0.113 -2.028 1.00 73.03 H new ATOM 0 HG23 ILE X 19 8.348 0.663 -0.793 1.00 73.03 H new ATOM 0 HD11 ILE X 19 8.960 3.908 0.014 1.00 44.32 H new ATOM 0 HD12 ILE X 19 7.815 2.546 0.023 1.00 44.32 H new ATOM 0 HD13 ILE X 19 9.540 2.256 -0.305 1.00 44.32 H new ATOM 339 N LEU X 20 10.676 0.003 -1.628 1.00 24.32 N ATOM 340 CA LEU X 20 11.781 -0.137 -0.637 1.00 24.32 C ATOM 341 C LEU X 20 13.081 -0.461 -1.382 1.00 3.21 C ATOM 342 O LEU X 20 14.149 -0.494 -0.803 1.00 52.12 O ATOM 343 CB LEU X 20 11.465 -1.281 0.334 1.00 61.32 C ATOM 344 CG LEU X 20 10.401 -0.847 1.349 1.00 52.11 C ATOM 345 CD1 LEU X 20 10.019 -2.049 2.215 1.00 42.33 C ATOM 346 CD2 LEU X 20 10.957 0.261 2.249 1.00 1.53 C ATOM 0 H LEU X 20 10.105 -0.831 -1.765 1.00 24.32 H new ATOM 0 HA LEU X 20 11.888 0.793 -0.079 1.00 24.32 H new ATOM 0 HB2 LEU X 20 11.113 -2.150 -0.221 1.00 61.32 H new ATOM 0 HB3 LEU X 20 12.373 -1.583 0.857 1.00 61.32 H new ATOM 0 HG LEU X 20 9.527 -0.473 0.817 1.00 52.11 H new ATOM 0 HD11 LEU X 20 9.262 -1.749 2.940 1.00 42.33 H new ATOM 0 HD12 LEU X 20 9.621 -2.842 1.582 1.00 42.33 H new ATOM 0 HD13 LEU X 20 10.901 -2.414 2.741 1.00 42.33 H new ATOM 0 HD21 LEU X 20 10.195 0.563 2.967 1.00 1.53 H new ATOM 0 HD22 LEU X 20 11.832 -0.109 2.783 1.00 1.53 H new ATOM 0 HD23 LEU X 20 11.240 1.118 1.638 1.00 1.53 H new ATOM 561 N ALA X 32 -0.280 5.776 -8.940 1.00 11.53 N ATOM 562 CA ALA X 32 -1.501 5.214 -9.587 1.00 65.33 C ATOM 563 C ALA X 32 -1.773 3.806 -9.045 1.00 53.52 C ATOM 564 O ALA X 32 -2.862 3.505 -8.595 1.00 50.42 O ATOM 565 CB ALA X 32 -1.280 5.143 -11.099 1.00 32.50 C ATOM 0 HA ALA X 32 -2.356 5.854 -9.368 1.00 65.33 H new ATOM 0 HB1 ALA X 32 -2.169 4.733 -11.578 1.00 32.50 H new ATOM 0 HB2 ALA X 32 -1.088 6.144 -11.486 1.00 32.50 H new ATOM 0 HB3 ALA X 32 -0.425 4.502 -11.312 1.00 32.50 H new ATOM 571 N GLU X 33 -0.796 2.943 -9.086 1.00 12.14 N ATOM 572 CA GLU X 33 -1.002 1.553 -8.585 1.00 34.15 C ATOM 573 C GLU X 33 -1.685 1.604 -7.212 1.00 20.35 C ATOM 574 O GLU X 33 -2.727 1.016 -7.006 1.00 1.03 O ATOM 575 CB GLU X 33 0.354 0.852 -8.459 1.00 61.15 C ATOM 576 CG GLU X 33 0.969 0.652 -9.847 1.00 23.50 C ATOM 577 CD GLU X 33 0.119 -0.334 -10.650 1.00 42.02 C ATOM 578 OE1 GLU X 33 -0.618 -1.089 -10.039 1.00 2.42 O ATOM 579 OE2 GLU X 33 0.218 -0.314 -11.866 1.00 62.24 O ATOM 0 H GLU X 33 0.138 3.140 -9.445 1.00 12.14 H new ATOM 0 HA GLU X 33 -1.631 1.001 -9.283 1.00 34.15 H new ATOM 0 HB2 GLU X 33 1.024 1.446 -7.837 1.00 61.15 H new ATOM 0 HB3 GLU X 33 0.230 -0.111 -7.964 1.00 61.15 H new ATOM 0 HG2 GLU X 33 1.028 1.606 -10.370 1.00 23.50 H new ATOM 0 HG3 GLU X 33 1.988 0.276 -9.753 1.00 23.50 H new ATOM 586 N ARG X 34 -1.106 2.306 -6.273 1.00 72.02 N ATOM 587 CA ARG X 34 -1.728 2.402 -4.919 1.00 40.04 C ATOM 588 C ARG X 34 -3.125 2.995 -5.049 1.00 13.35 C ATOM 589 O ARG X 34 -4.073 2.519 -4.459 1.00 44.33 O ATOM 590 CB ARG X 34 -0.866 3.306 -4.021 1.00 64.13 C ATOM 591 CG ARG X 34 -1.510 3.477 -2.634 1.00 70.43 C ATOM 592 CD ARG X 34 -1.489 2.148 -1.908 1.00 31.35 C ATOM 593 NE ARG X 34 -2.852 1.497 -1.899 1.00 20.42 N ATOM 594 CZ ARG X 34 -2.960 0.325 -1.364 1.00 54.30 C ATOM 595 NH1 ARG X 34 -1.897 -0.246 -0.872 1.00 52.41 N ATOM 596 NH2 ARG X 34 -4.118 -0.275 -1.299 1.00 45.20 N ATOM 0 H ARG X 34 -0.230 2.817 -6.385 1.00 72.02 H new ATOM 0 HA ARG X 34 -1.793 1.409 -4.475 1.00 40.04 H new ATOM 0 HB2 ARG X 34 0.130 2.875 -3.913 1.00 64.13 H new ATOM 0 HB3 ARG X 34 -0.742 4.281 -4.492 1.00 64.13 H new ATOM 0 HG2 ARG X 34 -0.969 4.228 -2.059 1.00 70.43 H new ATOM 0 HG3 ARG X 34 -2.535 3.832 -2.737 1.00 70.43 H new ATOM 0 HD2 ARG X 34 -0.771 1.483 -2.387 1.00 31.35 H new ATOM 0 HD3 ARG X 34 -1.150 2.298 -0.883 1.00 31.35 H new ATOM 0 HE ARG X 34 -3.662 1.967 -2.303 1.00 20.42 H new ATOM 0 HH11 ARG X 34 -0.997 0.232 -0.912 1.00 52.41 H new ATOM 0 HH12 ARG X 34 -1.965 -1.170 -0.446 1.00 52.41 H new ATOM 0 HH21 ARG X 34 -4.950 0.181 -1.673 1.00 45.20 H new ATOM 0 HH22 ARG X 34 -4.190 -1.200 -0.874 1.00 45.20 H new ATOM 610 N ASN X 35 -3.262 4.037 -5.822 1.00 61.23 N ATOM 611 CA ASN X 35 -4.598 4.659 -5.994 1.00 0.11 C ATOM 612 C ASN X 35 -5.562 3.629 -6.601 1.00 14.32 C ATOM 613 O ASN X 35 -6.706 3.520 -6.204 1.00 55.04 O ATOM 614 CB ASN X 35 -4.486 5.870 -6.926 1.00 42.43 C ATOM 615 CG ASN X 35 -5.879 6.439 -7.185 1.00 15.21 C ATOM 616 OD1 ASN X 35 -6.876 5.806 -6.886 1.00 72.22 O ATOM 617 ND2 ASN X 35 -5.995 7.612 -7.741 1.00 2.04 N ATOM 0 H ASN X 35 -2.505 4.482 -6.340 1.00 61.23 H new ATOM 0 HA ASN X 35 -4.976 4.986 -5.025 1.00 0.11 H new ATOM 0 HB2 ASN X 35 -3.848 6.631 -6.477 1.00 42.43 H new ATOM 0 HB3 ASN X 35 -4.020 5.577 -7.867 1.00 42.43 H new ATOM 0 HD21 ASN X 35 -6.920 8.000 -7.926 1.00 2.04 H new ATOM 0 HD22 ASN X 35 -5.161 8.142 -7.992 1.00 2.04 H new ATOM 624 N SER X 36 -5.103 2.862 -7.554 1.00 55.10 N ATOM 625 CA SER X 36 -5.989 1.841 -8.185 1.00 1.15 C ATOM 626 C SER X 36 -6.666 1.020 -7.085 1.00 53.53 C ATOM 627 O SER X 36 -7.755 1.330 -6.643 1.00 51.50 O ATOM 628 CB SER X 36 -5.145 0.917 -9.059 1.00 73.03 C ATOM 629 OG SER X 36 -5.992 -0.024 -9.705 1.00 70.44 O ATOM 0 H SER X 36 -4.153 2.899 -7.923 1.00 55.10 H new ATOM 0 HA SER X 36 -6.746 2.332 -8.796 1.00 1.15 H new ATOM 0 HB2 SER X 36 -4.597 1.499 -9.800 1.00 73.03 H new ATOM 0 HB3 SER X 36 -4.404 0.399 -8.450 1.00 73.03 H new ATOM 0 HG SER X 36 -5.452 -0.617 -10.268 1.00 70.44 H new ATOM 635 N LEU X 37 -6.025 -0.030 -6.638 1.00 22.01 N ATOM 636 CA LEU X 37 -6.631 -0.882 -5.573 1.00 1.22 C ATOM 637 C LEU X 37 -7.419 0.002 -4.598 1.00 10.02 C ATOM 638 O LEU X 37 -8.396 -0.415 -4.010 1.00 14.53 O ATOM 639 CB LEU X 37 -5.531 -1.598 -4.780 1.00 40.04 C ATOM 640 CG LEU X 37 -4.802 -2.645 -5.636 1.00 2.42 C ATOM 641 CD1 LEU X 37 -5.797 -3.625 -6.257 1.00 53.04 C ATOM 642 CD2 LEU X 37 -4.012 -1.947 -6.745 1.00 2.43 C ATOM 0 H LEU X 37 -5.108 -0.333 -6.965 1.00 22.01 H new ATOM 0 HA LEU X 37 -7.287 -1.614 -6.045 1.00 1.22 H new ATOM 0 HB2 LEU X 37 -4.813 -0.866 -4.411 1.00 40.04 H new ATOM 0 HB3 LEU X 37 -5.969 -2.083 -3.907 1.00 40.04 H new ATOM 0 HG LEU X 37 -4.120 -3.201 -4.993 1.00 2.42 H new ATOM 0 HD11 LEU X 37 -5.259 -4.357 -6.859 1.00 53.04 H new ATOM 0 HD12 LEU X 37 -6.345 -4.137 -5.466 1.00 53.04 H new ATOM 0 HD13 LEU X 37 -6.498 -3.080 -6.890 1.00 53.04 H new ATOM 0 HD21 LEU X 37 -3.497 -2.693 -7.350 1.00 2.43 H new ATOM 0 HD22 LEU X 37 -4.695 -1.378 -7.376 1.00 2.43 H new ATOM 0 HD23 LEU X 37 -3.281 -1.272 -6.301 1.00 2.43 H new ATOM 654 N ALA X 38 -6.978 1.218 -4.408 1.00 52.33 N ATOM 655 CA ALA X 38 -7.652 2.130 -3.432 1.00 55.24 C ATOM 656 C ALA X 38 -9.153 2.222 -3.723 1.00 43.21 C ATOM 657 O ALA X 38 -9.977 1.994 -2.860 1.00 2.41 O ATOM 658 CB ALA X 38 -7.039 3.526 -3.538 1.00 2.34 C ATOM 0 H ALA X 38 -6.175 1.623 -4.889 1.00 52.33 H new ATOM 0 HA ALA X 38 -7.511 1.729 -2.428 1.00 55.24 H new ATOM 0 HB1 ALA X 38 -7.528 4.193 -2.828 1.00 2.34 H new ATOM 0 HB2 ALA X 38 -5.974 3.474 -3.312 1.00 2.34 H new ATOM 0 HB3 ALA X 38 -7.177 3.908 -4.549 1.00 2.34 H new ATOM 664 N LYS X 39 -9.511 2.567 -4.928 1.00 51.35 N ATOM 665 CA LYS X 39 -10.958 2.712 -5.267 1.00 14.11 C ATOM 666 C LYS X 39 -11.618 1.331 -5.360 1.00 15.30 C ATOM 667 O LYS X 39 -12.720 1.129 -4.889 1.00 51.01 O ATOM 668 CB LYS X 39 -11.084 3.434 -6.610 1.00 14.03 C ATOM 669 CG LYS X 39 -10.402 2.603 -7.705 1.00 21.04 C ATOM 670 CD LYS X 39 -11.457 1.828 -8.498 1.00 32.12 C ATOM 671 CE LYS X 39 -12.046 2.725 -9.590 1.00 71.54 C ATOM 672 NZ LYS X 39 -11.247 2.581 -10.842 1.00 22.11 N ATOM 0 H LYS X 39 -8.865 2.755 -5.695 1.00 51.35 H new ATOM 0 HA LYS X 39 -11.458 3.288 -4.488 1.00 14.11 H new ATOM 0 HB2 LYS X 39 -12.135 3.586 -6.856 1.00 14.03 H new ATOM 0 HB3 LYS X 39 -10.625 4.421 -6.549 1.00 14.03 H new ATOM 0 HG2 LYS X 39 -9.839 3.255 -8.372 1.00 21.04 H new ATOM 0 HG3 LYS X 39 -9.688 1.911 -7.258 1.00 21.04 H new ATOM 0 HD2 LYS X 39 -11.010 0.940 -8.945 1.00 32.12 H new ATOM 0 HD3 LYS X 39 -12.248 1.485 -7.831 1.00 32.12 H new ATOM 0 HE2 LYS X 39 -13.085 2.453 -9.777 1.00 71.54 H new ATOM 0 HE3 LYS X 39 -12.042 3.764 -9.262 1.00 71.54 H new ATOM 0 HZ1 LYS X 39 -11.649 3.191 -11.582 1.00 22.11 H new ATOM 0 HZ2 LYS X 39 -10.262 2.861 -10.659 1.00 22.11 H new ATOM 0 HZ3 LYS X 39 -11.272 1.591 -11.158 1.00 22.11 H new ATOM 686 N ASP X 40 -10.956 0.384 -5.961 1.00 34.42 N ATOM 687 CA ASP X 40 -11.543 -0.979 -6.079 1.00 32.52 C ATOM 688 C ASP X 40 -11.833 -1.531 -4.678 1.00 14.00 C ATOM 689 O ASP X 40 -12.859 -2.138 -4.441 1.00 34.33 O ATOM 690 CB ASP X 40 -10.547 -1.890 -6.801 1.00 53.03 C ATOM 691 CG ASP X 40 -10.709 -1.727 -8.314 1.00 55.24 C ATOM 692 OD1 ASP X 40 -11.753 -1.258 -8.732 1.00 35.04 O ATOM 693 OD2 ASP X 40 -9.784 -2.076 -9.030 1.00 2.04 O ATOM 0 H ASP X 40 -10.031 0.495 -6.377 1.00 34.42 H new ATOM 0 HA ASP X 40 -12.473 -0.936 -6.646 1.00 32.52 H new ATOM 0 HB2 ASP X 40 -9.528 -1.640 -6.505 1.00 53.03 H new ATOM 0 HB3 ASP X 40 -10.716 -2.929 -6.516 1.00 53.03 H new ATOM 698 N VAL X 41 -10.938 -1.325 -3.752 1.00 65.22 N ATOM 699 CA VAL X 41 -11.164 -1.828 -2.369 1.00 12.21 C ATOM 700 C VAL X 41 -12.354 -1.089 -1.762 1.00 5.34 C ATOM 701 O VAL X 41 -13.218 -1.679 -1.142 1.00 13.04 O ATOM 702 CB VAL X 41 -9.914 -1.570 -1.523 1.00 0.52 C ATOM 703 CG1 VAL X 41 -10.164 -2.028 -0.085 1.00 52.23 C ATOM 704 CG2 VAL X 41 -8.728 -2.349 -2.105 1.00 21.13 C ATOM 0 H VAL X 41 -10.058 -0.829 -3.894 1.00 65.22 H new ATOM 0 HA VAL X 41 -11.368 -2.899 -2.392 1.00 12.21 H new ATOM 0 HB VAL X 41 -9.688 -0.504 -1.532 1.00 0.52 H new ATOM 0 HG11 VAL X 41 -9.273 -1.844 0.516 1.00 52.23 H new ATOM 0 HG12 VAL X 41 -11.004 -1.474 0.333 1.00 52.23 H new ATOM 0 HG13 VAL X 41 -10.393 -3.094 -0.077 1.00 52.23 H new ATOM 0 HG21 VAL X 41 -7.840 -2.164 -1.501 1.00 21.13 H new ATOM 0 HG22 VAL X 41 -8.955 -3.415 -2.099 1.00 21.13 H new ATOM 0 HG23 VAL X 41 -8.545 -2.022 -3.129 1.00 21.13 H new ATOM 714 N ALA X 42 -12.405 0.202 -1.940 1.00 4.32 N ATOM 715 CA ALA X 42 -13.530 0.994 -1.369 1.00 54.02 C ATOM 716 C ALA X 42 -14.850 0.305 -1.717 1.00 54.21 C ATOM 717 O ALA X 42 -15.719 0.144 -0.882 1.00 22.44 O ATOM 718 CB ALA X 42 -13.510 2.404 -1.966 1.00 4.44 C ATOM 0 H ALA X 42 -11.714 0.744 -2.458 1.00 4.32 H new ATOM 0 HA ALA X 42 -13.427 1.061 -0.286 1.00 54.02 H new ATOM 0 HB1 ALA X 42 -14.332 2.987 -1.550 1.00 4.44 H new ATOM 0 HB2 ALA X 42 -12.564 2.888 -1.724 1.00 4.44 H new ATOM 0 HB3 ALA X 42 -13.620 2.342 -3.049 1.00 4.44 H new ATOM 724 N GLU X 43 -14.999 -0.113 -2.944 1.00 64.53 N ATOM 725 CA GLU X 43 -16.248 -0.816 -3.355 1.00 1.42 C ATOM 726 C GLU X 43 -16.482 -2.005 -2.421 1.00 44.31 C ATOM 727 O GLU X 43 -17.467 -2.071 -1.714 1.00 32.33 O ATOM 728 CB GLU X 43 -16.094 -1.321 -4.794 1.00 2.31 C ATOM 729 CG GLU X 43 -17.420 -1.910 -5.285 1.00 34.32 C ATOM 730 CD GLU X 43 -18.448 -0.792 -5.459 1.00 53.12 C ATOM 731 OE1 GLU X 43 -18.068 0.360 -5.340 1.00 10.31 O ATOM 732 OE2 GLU X 43 -19.600 -1.108 -5.706 1.00 2.21 O ATOM 0 H GLU X 43 -14.306 0.003 -3.683 1.00 64.53 H new ATOM 0 HA GLU X 43 -17.094 -0.131 -3.298 1.00 1.42 H new ATOM 0 HB2 GLU X 43 -15.787 -0.502 -5.445 1.00 2.31 H new ATOM 0 HB3 GLU X 43 -15.311 -2.077 -4.841 1.00 2.31 H new ATOM 0 HG2 GLU X 43 -17.270 -2.429 -6.231 1.00 34.32 H new ATOM 0 HG3 GLU X 43 -17.788 -2.647 -4.571 1.00 34.32 H new ATOM 739 N ILE X 44 -15.575 -2.949 -2.415 1.00 4.10 N ATOM 740 CA ILE X 44 -15.734 -4.141 -1.529 1.00 0.14 C ATOM 741 C ILE X 44 -16.038 -3.676 -0.102 1.00 12.34 C ATOM 742 O ILE X 44 -16.811 -4.288 0.610 1.00 74.11 O ATOM 743 CB ILE X 44 -14.437 -4.950 -1.518 1.00 71.42 C ATOM 744 CG1 ILE X 44 -13.980 -5.254 -2.952 1.00 72.02 C ATOM 745 CG2 ILE X 44 -14.659 -6.261 -0.764 1.00 51.55 C ATOM 746 CD1 ILE X 44 -15.127 -5.871 -3.755 1.00 60.31 C ATOM 0 H ILE X 44 -14.730 -2.945 -2.987 1.00 4.10 H new ATOM 0 HA ILE X 44 -16.551 -4.759 -1.902 1.00 0.14 H new ATOM 0 HB ILE X 44 -13.664 -4.365 -1.020 1.00 71.42 H new ATOM 0 HG12 ILE X 44 -13.641 -4.338 -3.435 1.00 72.02 H new ATOM 0 HG13 ILE X 44 -13.131 -5.938 -2.933 1.00 72.02 H new ATOM 0 HG21 ILE X 44 -13.734 -6.838 -0.756 1.00 51.55 H new ATOM 0 HG22 ILE X 44 -14.960 -6.045 0.261 1.00 51.55 H new ATOM 0 HG23 ILE X 44 -15.441 -6.837 -1.258 1.00 51.55 H new ATOM 0 HD11 ILE X 44 -14.789 -6.081 -4.770 1.00 60.31 H new ATOM 0 HD12 ILE X 44 -15.447 -6.798 -3.279 1.00 60.31 H new ATOM 0 HD13 ILE X 44 -15.964 -5.173 -3.789 1.00 60.31 H new ATOM 758 N LYS X 45 -15.433 -2.597 0.322 1.00 1.40 N ATOM 759 CA LYS X 45 -15.655 -2.109 1.717 1.00 21.12 C ATOM 760 C LYS X 45 -17.147 -1.819 1.916 1.00 34.31 C ATOM 761 O LYS X 45 -17.742 -2.205 2.902 1.00 34.40 O ATOM 762 CB LYS X 45 -14.850 -0.822 1.951 1.00 33.24 C ATOM 763 CG LYS X 45 -13.349 -1.134 1.935 1.00 10.51 C ATOM 764 CD LYS X 45 -12.919 -1.658 3.311 1.00 23.05 C ATOM 765 CE LYS X 45 -11.398 -1.530 3.466 1.00 51.11 C ATOM 766 NZ LYS X 45 -11.015 -0.088 3.496 1.00 55.14 N ATOM 0 H LYS X 45 -14.794 -2.032 -0.237 1.00 1.40 H new ATOM 0 HA LYS X 45 -15.328 -2.871 2.425 1.00 21.12 H new ATOM 0 HB2 LYS X 45 -15.086 -0.090 1.179 1.00 33.24 H new ATOM 0 HB3 LYS X 45 -15.128 -0.378 2.907 1.00 33.24 H new ATOM 0 HG2 LYS X 45 -13.129 -1.876 1.167 1.00 10.51 H new ATOM 0 HG3 LYS X 45 -12.783 -0.237 1.683 1.00 10.51 H new ATOM 0 HD2 LYS X 45 -13.422 -1.096 4.098 1.00 23.05 H new ATOM 0 HD3 LYS X 45 -13.218 -2.700 3.423 1.00 23.05 H new ATOM 0 HE2 LYS X 45 -11.074 -2.021 4.383 1.00 51.11 H new ATOM 0 HE3 LYS X 45 -10.895 -2.033 2.640 1.00 51.11 H new ATOM 0 HZ1 LYS X 45 -10.123 0.023 4.019 1.00 55.14 H new ATOM 0 HZ2 LYS X 45 -10.892 0.259 2.523 1.00 55.14 H new ATOM 0 HZ3 LYS X 45 -11.763 0.460 3.967 1.00 55.14 H new ATOM 780 N ASN X 46 -17.753 -1.144 0.977 1.00 43.54 N ATOM 781 CA ASN X 46 -19.201 -0.822 1.094 1.00 12.52 C ATOM 782 C ASN X 46 -19.991 -2.128 1.180 1.00 21.15 C ATOM 783 O ASN X 46 -20.952 -2.240 1.916 1.00 23.45 O ATOM 784 CB ASN X 46 -19.631 -0.031 -0.144 1.00 15.12 C ATOM 785 CG ASN X 46 -21.122 0.298 -0.064 1.00 62.51 C ATOM 786 OD1 ASN X 46 -21.597 0.793 0.939 1.00 15.43 O ATOM 787 ND2 ASN X 46 -21.885 0.050 -1.094 1.00 0.30 N ATOM 0 H ASN X 46 -17.303 -0.800 0.129 1.00 43.54 H new ATOM 0 HA ASN X 46 -19.390 -0.227 1.987 1.00 12.52 H new ATOM 0 HB2 ASN X 46 -19.051 0.889 -0.217 1.00 15.12 H new ATOM 0 HB3 ASN X 46 -19.426 -0.610 -1.045 1.00 15.12 H new ATOM 0 HD21 ASN X 46 -22.880 0.272 -1.057 1.00 0.30 H new ATOM 0 HD22 ASN X 46 -21.486 -0.365 -1.936 1.00 0.30 H new ATOM 794 N GLN X 47 -19.582 -3.121 0.439 1.00 12.45 N ATOM 795 CA GLN X 47 -20.313 -4.419 0.461 1.00 32.30 C ATOM 796 C GLN X 47 -19.934 -5.182 1.738 1.00 53.32 C ATOM 797 O GLN X 47 -20.553 -6.168 2.089 1.00 11.43 O ATOM 798 CB GLN X 47 -19.940 -5.237 -0.781 1.00 4.42 C ATOM 799 CG GLN X 47 -19.013 -6.388 -0.387 1.00 51.23 C ATOM 800 CD GLN X 47 -18.470 -7.065 -1.649 1.00 11.44 C ATOM 801 OE1 GLN X 47 -18.733 -6.544 -2.819 1.00 32.55 O flip ATOM 802 NE2 GLN X 47 -17.802 -8.077 -1.572 1.00 52.11 N flip ATOM 0 H GLN X 47 -18.773 -3.089 -0.181 1.00 12.45 H new ATOM 0 HA GLN X 47 -21.389 -4.244 0.453 1.00 32.30 H new ATOM 0 HB2 GLN X 47 -20.841 -5.629 -1.253 1.00 4.42 H new ATOM 0 HB3 GLN X 47 -19.449 -4.598 -1.514 1.00 4.42 H new ATOM 0 HG2 GLN X 47 -18.189 -6.013 0.220 1.00 51.23 H new ATOM 0 HG3 GLN X 47 -19.554 -7.112 0.222 1.00 51.23 H new ATOM 0 HE21 GLN X 47 -17.596 -8.484 -0.660 1.00 52.11 H new ATOM 0 HE22 GLN X 47 -17.447 -8.519 -2.420 1.00 52.11 H new ATOM 811 N LEU X 48 -18.936 -4.716 2.445 1.00 23.41 N ATOM 812 CA LEU X 48 -18.526 -5.398 3.709 1.00 23.21 C ATOM 813 C LEU X 48 -19.234 -4.720 4.886 1.00 23.21 C ATOM 814 O LEU X 48 -19.162 -5.169 6.013 1.00 42.10 O ATOM 815 CB LEU X 48 -17.008 -5.282 3.906 1.00 54.43 C ATOM 816 CG LEU X 48 -16.271 -6.251 2.975 1.00 21.10 C ATOM 817 CD1 LEU X 48 -14.787 -5.885 2.942 1.00 62.21 C ATOM 818 CD2 LEU X 48 -16.420 -7.685 3.494 1.00 63.20 C ATOM 0 H LEU X 48 -18.387 -3.892 2.201 1.00 23.41 H new ATOM 0 HA LEU X 48 -18.799 -6.452 3.654 1.00 23.21 H new ATOM 0 HB2 LEU X 48 -16.686 -4.260 3.706 1.00 54.43 H new ATOM 0 HB3 LEU X 48 -16.752 -5.499 4.943 1.00 54.43 H new ATOM 0 HG LEU X 48 -16.696 -6.181 1.974 1.00 21.10 H new ATOM 0 HD11 LEU X 48 -14.258 -6.571 2.281 1.00 62.21 H new ATOM 0 HD12 LEU X 48 -14.672 -4.865 2.574 1.00 62.21 H new ATOM 0 HD13 LEU X 48 -14.372 -5.957 3.947 1.00 62.21 H new ATOM 0 HD21 LEU X 48 -15.894 -8.369 2.828 1.00 63.20 H new ATOM 0 HD22 LEU X 48 -15.996 -7.755 4.496 1.00 63.20 H new ATOM 0 HD23 LEU X 48 -17.476 -7.952 3.528 1.00 63.20 H new ATOM 830 N GLY X 49 -19.922 -3.641 4.626 1.00 31.51 N ATOM 831 CA GLY X 49 -20.662 -2.930 5.711 1.00 52.23 C ATOM 832 C GLY X 49 -19.695 -2.427 6.792 1.00 24.13 C ATOM 833 O GLY X 49 -19.904 -2.647 7.968 1.00 73.55 O ATOM 0 H GLY X 49 -20.004 -3.218 3.702 1.00 31.51 H new ATOM 0 HA2 GLY X 49 -21.213 -2.089 5.290 1.00 52.23 H new ATOM 0 HA3 GLY X 49 -21.396 -3.601 6.157 1.00 52.23 H new ATOM 837 N ILE X 50 -18.650 -1.736 6.414 1.00 13.34 N ATOM 838 CA ILE X 50 -17.699 -1.206 7.440 1.00 11.33 C ATOM 839 C ILE X 50 -17.085 0.105 6.952 1.00 31.52 C ATOM 840 O ILE X 50 -17.079 0.396 5.774 1.00 24.14 O ATOM 841 CB ILE X 50 -16.579 -2.216 7.702 1.00 63.42 C ATOM 842 CG1 ILE X 50 -16.267 -3.009 6.427 1.00 11.22 C ATOM 843 CG2 ILE X 50 -17.015 -3.179 8.805 1.00 32.03 C ATOM 844 CD1 ILE X 50 -15.745 -2.064 5.341 1.00 5.54 C ATOM 0 H ILE X 50 -18.414 -1.516 5.446 1.00 13.34 H new ATOM 0 HA ILE X 50 -18.251 -1.033 8.364 1.00 11.33 H new ATOM 0 HB ILE X 50 -15.682 -1.679 8.011 1.00 63.42 H new ATOM 0 HG12 ILE X 50 -15.525 -3.779 6.639 1.00 11.22 H new ATOM 0 HG13 ILE X 50 -17.164 -3.519 6.077 1.00 11.22 H new ATOM 0 HG21 ILE X 50 -16.220 -3.900 8.994 1.00 32.03 H new ATOM 0 HG22 ILE X 50 -17.221 -2.619 9.717 1.00 32.03 H new ATOM 0 HG23 ILE X 50 -17.916 -3.707 8.492 1.00 32.03 H new ATOM 0 HD11 ILE X 50 -15.525 -2.634 4.438 1.00 5.54 H new ATOM 0 HD12 ILE X 50 -16.501 -1.311 5.120 1.00 5.54 H new ATOM 0 HD13 ILE X 50 -14.836 -1.574 5.691 1.00 5.54 H new ATOM 856 N PRO X 51 -16.590 0.898 7.863 1.00 60.05 N ATOM 857 CA PRO X 51 -15.976 2.224 7.545 1.00 1.24 C ATOM 858 C PRO X 51 -14.831 2.133 6.536 1.00 42.22 C ATOM 859 O PRO X 51 -14.050 1.200 6.548 1.00 64.40 O ATOM 860 CB PRO X 51 -15.471 2.719 8.902 1.00 10.33 C ATOM 861 CG PRO X 51 -15.378 1.490 9.739 1.00 22.02 C ATOM 862 CD PRO X 51 -16.570 0.632 9.320 1.00 33.50 C ATOM 0 HA PRO X 51 -16.695 2.894 7.072 1.00 1.24 H new ATOM 0 HB2 PRO X 51 -14.502 3.210 8.809 1.00 10.33 H new ATOM 0 HB3 PRO X 51 -16.156 3.445 9.339 1.00 10.33 H new ATOM 0 HG2 PRO X 51 -14.437 0.967 9.569 1.00 22.02 H new ATOM 0 HG3 PRO X 51 -15.420 1.732 10.801 1.00 22.02 H new ATOM 0 HD2 PRO X 51 -16.422 -0.424 9.547 1.00 33.50 H new ATOM 0 HD3 PRO X 51 -17.494 0.937 9.811 1.00 33.50 H new ATOM 870 N ILE X 52 -14.725 3.103 5.671 1.00 14.31 N ATOM 871 CA ILE X 52 -13.640 3.091 4.649 1.00 61.11 C ATOM 872 C ILE X 52 -12.286 3.162 5.353 1.00 41.22 C ATOM 873 O ILE X 52 -11.356 2.463 5.002 1.00 73.41 O ATOM 874 CB ILE X 52 -13.800 4.306 3.731 1.00 73.23 C ATOM 875 CG1 ILE X 52 -15.204 4.295 3.121 1.00 14.14 C ATOM 876 CG2 ILE X 52 -12.753 4.254 2.616 1.00 4.13 C ATOM 877 CD1 ILE X 52 -15.471 5.625 2.412 1.00 11.52 C ATOM 0 H ILE X 52 -15.348 3.910 5.628 1.00 14.31 H new ATOM 0 HA ILE X 52 -13.698 2.176 4.059 1.00 61.11 H new ATOM 0 HB ILE X 52 -13.659 5.220 4.308 1.00 73.23 H new ATOM 0 HG12 ILE X 52 -15.297 3.470 2.414 1.00 14.14 H new ATOM 0 HG13 ILE X 52 -15.948 4.132 3.901 1.00 14.14 H new ATOM 0 HG21 ILE X 52 -12.871 5.121 1.965 1.00 4.13 H new ATOM 0 HG22 ILE X 52 -11.755 4.262 3.054 1.00 4.13 H new ATOM 0 HG23 ILE X 52 -12.887 3.342 2.034 1.00 4.13 H new ATOM 0 HD11 ILE X 52 -16.471 5.612 1.979 1.00 11.52 H new ATOM 0 HD12 ILE X 52 -15.396 6.442 3.130 1.00 11.52 H new ATOM 0 HD13 ILE X 52 -14.735 5.770 1.621 1.00 11.52 H new ATOM 889 N ASN X 53 -12.165 4.002 6.341 1.00 60.42 N ATOM 890 CA ASN X 53 -10.871 4.116 7.063 1.00 61.31 C ATOM 891 C ASN X 53 -10.599 2.830 7.842 1.00 11.44 C ATOM 892 O ASN X 53 -11.505 2.111 8.217 1.00 10.11 O ATOM 893 CB ASN X 53 -10.914 5.292 8.035 1.00 61.45 C ATOM 894 CG ASN X 53 -9.476 5.685 8.381 1.00 61.14 C ATOM 895 OD1 ASN X 53 -9.040 6.780 8.075 1.00 45.05 O ATOM 896 ND2 ASN X 53 -8.705 4.823 8.989 1.00 51.40 N ATOM 0 H ASN X 53 -12.907 4.615 6.679 1.00 60.42 H new ATOM 0 HA ASN X 53 -10.077 4.279 6.335 1.00 61.31 H new ATOM 0 HB2 ASN X 53 -11.440 6.135 7.587 1.00 61.45 H new ATOM 0 HB3 ASN X 53 -11.460 5.018 8.938 1.00 61.45 H new ATOM 0 HD21 ASN X 53 -7.739 5.068 9.207 1.00 51.40 H new ATOM 0 HD22 ASN X 53 -9.069 3.905 9.246 1.00 51.40 H new ATOM 903 N ASP X 54 -9.352 2.529 8.081 1.00 24.32 N ATOM 904 CA ASP X 54 -9.023 1.282 8.814 1.00 12.14 C ATOM 905 C ASP X 54 -7.549 1.303 9.231 1.00 12.35 C ATOM 906 O ASP X 54 -6.701 0.716 8.582 1.00 43.33 O ATOM 907 CB ASP X 54 -9.280 0.083 7.906 1.00 21.32 C ATOM 908 CG ASP X 54 -10.743 -0.344 8.019 1.00 1.13 C ATOM 909 OD1 ASP X 54 -11.140 -0.734 9.105 1.00 32.35 O ATOM 910 OD2 ASP X 54 -11.440 -0.279 7.022 1.00 5.43 O ATOM 0 H ASP X 54 -8.551 3.094 7.800 1.00 24.32 H new ATOM 0 HA ASP X 54 -9.647 1.207 9.705 1.00 12.14 H new ATOM 0 HB2 ASP X 54 -9.045 0.340 6.873 1.00 21.32 H new ATOM 0 HB3 ASP X 54 -8.627 -0.744 8.186 1.00 21.32 H new ATOM 915 N PRO X 55 -7.257 1.954 10.327 1.00 21.03 N ATOM 916 CA PRO X 55 -5.868 2.055 10.862 1.00 21.34 C ATOM 917 C PRO X 55 -5.260 0.663 11.049 1.00 33.41 C ATOM 918 O PRO X 55 -4.292 0.300 10.408 1.00 61.14 O ATOM 919 CB PRO X 55 -6.047 2.754 12.219 1.00 62.42 C ATOM 920 CG PRO X 55 -7.499 2.617 12.537 1.00 42.13 C ATOM 921 CD PRO X 55 -8.229 2.670 11.199 1.00 2.25 C ATOM 0 HA PRO X 55 -5.196 2.595 10.194 1.00 21.34 H new ATOM 0 HB2 PRO X 55 -5.429 2.288 12.987 1.00 62.42 H new ATOM 0 HB3 PRO X 55 -5.752 3.802 12.165 1.00 62.42 H new ATOM 0 HG2 PRO X 55 -7.698 1.678 13.053 1.00 42.13 H new ATOM 0 HG3 PRO X 55 -7.832 3.420 13.195 1.00 42.13 H new ATOM 0 HD2 PRO X 55 -9.198 2.171 11.236 1.00 2.25 H new ATOM 0 HD3 PRO X 55 -8.409 3.692 10.866 1.00 2.25 H new ATOM 929 N GLU X 56 -5.839 -0.125 11.910 1.00 63.51 N ATOM 930 CA GLU X 56 -5.339 -1.511 12.103 1.00 3.53 C ATOM 931 C GLU X 56 -4.542 -1.920 10.862 1.00 54.40 C ATOM 932 O GLU X 56 -3.356 -2.184 10.929 1.00 23.54 O ATOM 933 CB GLU X 56 -6.531 -2.454 12.280 1.00 51.32 C ATOM 934 CG GLU X 56 -7.223 -2.157 13.615 1.00 74.14 C ATOM 935 CD GLU X 56 -8.458 -3.052 13.762 1.00 65.41 C ATOM 936 OE1 GLU X 56 -8.716 -3.828 12.858 1.00 33.24 O ATOM 937 OE2 GLU X 56 -9.125 -2.947 14.780 1.00 42.24 O ATOM 0 H GLU X 56 -6.638 0.133 12.489 1.00 63.51 H new ATOM 0 HA GLU X 56 -4.702 -1.564 12.986 1.00 3.53 H new ATOM 0 HB2 GLU X 56 -7.234 -2.327 11.457 1.00 51.32 H new ATOM 0 HB3 GLU X 56 -6.195 -3.491 12.255 1.00 51.32 H new ATOM 0 HG2 GLU X 56 -6.534 -2.332 14.441 1.00 74.14 H new ATOM 0 HG3 GLU X 56 -7.514 -1.108 13.660 1.00 74.14 H new ATOM 944 N ARG X 57 -5.186 -1.957 9.729 1.00 42.50 N ATOM 945 CA ARG X 57 -4.476 -2.325 8.468 1.00 23.52 C ATOM 946 C ARG X 57 -3.220 -1.466 8.338 1.00 42.32 C ATOM 947 O ARG X 57 -2.137 -1.962 8.100 1.00 23.12 O ATOM 948 CB ARG X 57 -5.407 -2.067 7.278 1.00 61.41 C ATOM 949 CG ARG X 57 -6.032 -3.377 6.783 1.00 31.52 C ATOM 950 CD ARG X 57 -5.108 -4.055 5.782 1.00 25.44 C ATOM 951 NE ARG X 57 -4.886 -3.150 4.609 1.00 35.13 N ATOM 952 CZ ARG X 57 -3.863 -3.354 3.813 1.00 34.15 C ATOM 953 NH1 ARG X 57 -2.966 -4.255 4.116 1.00 23.23 N ATOM 954 NH2 ARG X 57 -3.721 -2.643 2.726 1.00 33.11 N ATOM 0 H ARG X 57 -6.178 -1.748 9.620 1.00 42.50 H new ATOM 0 HA ARG X 57 -4.195 -3.378 8.486 1.00 23.52 H new ATOM 0 HB2 ARG X 57 -6.193 -1.371 7.570 1.00 61.41 H new ATOM 0 HB3 ARG X 57 -4.849 -1.596 6.469 1.00 61.41 H new ATOM 0 HG2 ARG X 57 -6.217 -4.042 7.627 1.00 31.52 H new ATOM 0 HG3 ARG X 57 -6.997 -3.175 6.319 1.00 31.52 H new ATOM 0 HD2 ARG X 57 -4.156 -4.294 6.255 1.00 25.44 H new ATOM 0 HD3 ARG X 57 -5.544 -4.997 5.450 1.00 25.44 H new ATOM 0 HE ARG X 57 -5.528 -2.378 4.430 1.00 35.13 H new ATOM 0 HH11 ARG X 57 -3.061 -4.801 4.972 1.00 23.23 H new ATOM 0 HH12 ARG X 57 -2.171 -4.412 3.496 1.00 23.23 H new ATOM 0 HH21 ARG X 57 -4.407 -1.925 2.493 1.00 33.11 H new ATOM 0 HH22 ARG X 57 -2.924 -2.806 2.111 1.00 33.11 H new ATOM 968 N GLU X 58 -3.358 -0.178 8.508 1.00 10.34 N ATOM 969 CA GLU X 58 -2.176 0.723 8.403 1.00 43.15 C ATOM 970 C GLU X 58 -1.142 0.306 9.457 1.00 1.52 C ATOM 971 O GLU X 58 0.046 0.278 9.198 1.00 40.32 O ATOM 972 CB GLU X 58 -2.615 2.170 8.649 1.00 11.53 C ATOM 973 CG GLU X 58 -3.398 2.682 7.435 1.00 4.04 C ATOM 974 CD GLU X 58 -4.807 2.084 7.445 1.00 53.24 C ATOM 975 OE1 GLU X 58 -4.954 0.953 7.009 1.00 11.11 O ATOM 976 OE2 GLU X 58 -5.714 2.766 7.888 1.00 11.33 O ATOM 0 H GLU X 58 -4.241 0.289 8.715 1.00 10.34 H new ATOM 0 HA GLU X 58 -1.736 0.649 7.408 1.00 43.15 H new ATOM 0 HB2 GLU X 58 -3.234 2.226 9.544 1.00 11.53 H new ATOM 0 HB3 GLU X 58 -1.743 2.800 8.825 1.00 11.53 H new ATOM 0 HG2 GLU X 58 -3.454 3.770 7.458 1.00 4.04 H new ATOM 0 HG3 GLU X 58 -2.882 2.408 6.515 1.00 4.04 H new ATOM 983 N LYS X 59 -1.587 -0.033 10.640 1.00 31.41 N ATOM 984 CA LYS X 59 -0.634 -0.459 11.706 1.00 23.11 C ATOM 985 C LYS X 59 0.052 -1.754 11.256 1.00 32.34 C ATOM 986 O LYS X 59 1.246 -1.925 11.402 1.00 74.50 O ATOM 987 CB LYS X 59 -1.402 -0.712 13.014 1.00 70.02 C ATOM 988 CG LYS X 59 -2.011 0.601 13.528 1.00 55.05 C ATOM 989 CD LYS X 59 -0.964 1.377 14.334 1.00 62.22 C ATOM 990 CE LYS X 59 -0.846 0.776 15.737 1.00 50.01 C ATOM 991 NZ LYS X 59 -0.271 1.789 16.669 1.00 3.40 N ATOM 0 H LYS X 59 -2.570 -0.033 10.913 1.00 31.41 H new ATOM 0 HA LYS X 59 0.109 0.320 11.875 1.00 23.11 H new ATOM 0 HB2 LYS X 59 -2.190 -1.447 12.847 1.00 70.02 H new ATOM 0 HB3 LYS X 59 -0.731 -1.130 13.765 1.00 70.02 H new ATOM 0 HG2 LYS X 59 -2.359 1.204 12.689 1.00 55.05 H new ATOM 0 HG3 LYS X 59 -2.880 0.390 14.151 1.00 55.05 H new ATOM 0 HD2 LYS X 59 0.001 1.338 13.828 1.00 62.22 H new ATOM 0 HD3 LYS X 59 -1.247 2.428 14.400 1.00 62.22 H new ATOM 0 HE2 LYS X 59 -1.827 0.457 16.091 1.00 50.01 H new ATOM 0 HE3 LYS X 59 -0.212 -0.111 15.712 1.00 50.01 H new ATOM 0 HZ1 LYS X 59 -0.192 1.379 17.621 1.00 3.40 H new ATOM 0 HZ2 LYS X 59 0.672 2.073 16.335 1.00 3.40 H new ATOM 0 HZ3 LYS X 59 -0.892 2.623 16.702 1.00 3.40 H new ATOM 1005 N TYR X 60 -0.710 -2.663 10.699 1.00 42.01 N ATOM 1006 CA TYR X 60 -0.131 -3.953 10.219 1.00 51.15 C ATOM 1007 C TYR X 60 0.971 -3.658 9.196 1.00 2.02 C ATOM 1008 O TYR X 60 2.028 -4.255 9.215 1.00 64.33 O ATOM 1009 CB TYR X 60 -1.245 -4.786 9.571 1.00 13.51 C ATOM 1010 CG TYR X 60 -0.665 -6.011 8.899 1.00 65.44 C ATOM 1011 CD1 TYR X 60 -0.514 -7.201 9.623 1.00 14.42 C ATOM 1012 CD2 TYR X 60 -0.295 -5.961 7.549 1.00 34.21 C ATOM 1013 CE1 TYR X 60 0.009 -8.340 8.998 1.00 20.13 C ATOM 1014 CE2 TYR X 60 0.230 -7.100 6.925 1.00 73.12 C ATOM 1015 CZ TYR X 60 0.382 -8.289 7.650 1.00 21.11 C ATOM 1016 OH TYR X 60 0.899 -9.411 7.033 1.00 20.33 O ATOM 0 H TYR X 60 -1.715 -2.564 10.556 1.00 42.01 H new ATOM 0 HA TYR X 60 0.297 -4.510 11.052 1.00 51.15 H new ATOM 0 HB2 TYR X 60 -1.969 -5.087 10.328 1.00 13.51 H new ATOM 0 HB3 TYR X 60 -1.781 -4.182 8.839 1.00 13.51 H new ATOM 0 HD1 TYR X 60 -0.801 -7.240 10.663 1.00 14.42 H new ATOM 0 HD2 TYR X 60 -0.414 -5.045 6.990 1.00 34.21 H new ATOM 0 HE1 TYR X 60 0.124 -9.257 9.556 1.00 20.13 H new ATOM 0 HE2 TYR X 60 0.518 -7.061 5.885 1.00 73.12 H new ATOM 0 HH TYR X 60 1.105 -9.204 6.097 1.00 20.33 H new ATOM 1026 N ILE X 61 0.729 -2.725 8.311 1.00 15.44 N ATOM 1027 CA ILE X 61 1.756 -2.376 7.282 1.00 42.41 C ATOM 1028 C ILE X 61 2.998 -1.810 7.983 1.00 21.11 C ATOM 1029 O ILE X 61 4.119 -2.126 7.634 1.00 23.35 O ATOM 1030 CB ILE X 61 1.190 -1.313 6.338 1.00 73.44 C ATOM 1031 CG1 ILE X 61 0.252 -1.965 5.311 1.00 2.41 C ATOM 1032 CG2 ILE X 61 2.340 -0.611 5.617 1.00 0.51 C ATOM 1033 CD1 ILE X 61 1.065 -2.535 4.145 1.00 15.23 C ATOM 0 H ILE X 61 -0.137 -2.189 8.256 1.00 15.44 H new ATOM 0 HA ILE X 61 2.022 -3.268 6.715 1.00 42.41 H new ATOM 0 HB ILE X 61 0.624 -0.583 6.917 1.00 73.44 H new ATOM 0 HG12 ILE X 61 -0.324 -2.759 5.786 1.00 2.41 H new ATOM 0 HG13 ILE X 61 -0.463 -1.230 4.941 1.00 2.41 H new ATOM 0 HG21 ILE X 61 1.939 0.147 4.944 1.00 0.51 H new ATOM 0 HG22 ILE X 61 2.993 -0.137 6.349 1.00 0.51 H new ATOM 0 HG23 ILE X 61 2.909 -1.342 5.043 1.00 0.51 H new ATOM 0 HD11 ILE X 61 0.391 -2.995 3.422 1.00 15.23 H new ATOM 0 HD12 ILE X 61 1.621 -1.732 3.662 1.00 15.23 H new ATOM 0 HD13 ILE X 61 1.762 -3.285 4.520 1.00 15.23 H new ATOM 1045 N TYR X 62 2.804 -0.976 8.974 1.00 12.33 N ATOM 1046 CA TYR X 62 3.966 -0.368 9.683 1.00 32.53 C ATOM 1047 C TYR X 62 4.928 -1.483 10.108 1.00 31.32 C ATOM 1048 O TYR X 62 6.125 -1.396 9.909 1.00 63.12 O ATOM 1049 CB TYR X 62 3.468 0.391 10.925 1.00 13.11 C ATOM 1050 CG TYR X 62 3.128 1.820 10.552 1.00 61.33 C ATOM 1051 CD1 TYR X 62 2.430 2.086 9.367 1.00 75.34 C ATOM 1052 CD2 TYR X 62 3.519 2.878 11.384 1.00 44.50 C ATOM 1053 CE1 TYR X 62 2.119 3.406 9.014 1.00 22.40 C ATOM 1054 CE2 TYR X 62 3.210 4.199 11.029 1.00 2.24 C ATOM 1055 CZ TYR X 62 2.510 4.462 9.844 1.00 0.03 C ATOM 1056 OH TYR X 62 2.207 5.763 9.494 1.00 34.21 O ATOM 0 H TYR X 62 1.888 -0.691 9.321 1.00 12.33 H new ATOM 0 HA TYR X 62 4.482 0.329 9.022 1.00 32.53 H new ATOM 0 HB2 TYR X 62 2.590 -0.105 11.338 1.00 13.11 H new ATOM 0 HB3 TYR X 62 4.234 0.380 11.700 1.00 13.11 H new ATOM 0 HD1 TYR X 62 2.131 1.272 8.724 1.00 75.34 H new ATOM 0 HD2 TYR X 62 4.058 2.676 12.298 1.00 44.50 H new ATOM 0 HE1 TYR X 62 1.578 3.608 8.102 1.00 22.40 H new ATOM 0 HE2 TYR X 62 3.512 5.014 11.670 1.00 2.24 H new ATOM 0 HH TYR X 62 2.549 6.374 10.179 1.00 34.21 H new ATOM 1066 N ASP X 63 4.410 -2.530 10.689 1.00 1.25 N ATOM 1067 CA ASP X 63 5.276 -3.660 11.125 1.00 21.15 C ATOM 1068 C ASP X 63 5.821 -4.385 9.890 1.00 72.11 C ATOM 1069 O ASP X 63 6.908 -4.931 9.908 1.00 13.14 O ATOM 1070 CB ASP X 63 4.439 -4.630 11.969 1.00 3.44 C ATOM 1071 CG ASP X 63 5.361 -5.595 12.720 1.00 15.21 C ATOM 1072 OD1 ASP X 63 6.138 -5.120 13.534 1.00 33.55 O ATOM 1073 OD2 ASP X 63 5.279 -6.783 12.469 1.00 24.11 O ATOM 0 H ASP X 63 3.416 -2.651 10.882 1.00 1.25 H new ATOM 0 HA ASP X 63 6.110 -3.285 11.718 1.00 21.15 H new ATOM 0 HB2 ASP X 63 3.826 -4.073 12.678 1.00 3.44 H new ATOM 0 HB3 ASP X 63 3.757 -5.189 11.328 1.00 3.44 H new ATOM 1078 N ARG X 64 5.069 -4.389 8.814 1.00 42.41 N ATOM 1079 CA ARG X 64 5.519 -5.087 7.567 1.00 71.21 C ATOM 1080 C ARG X 64 6.711 -4.338 6.963 1.00 62.30 C ATOM 1081 O ARG X 64 7.712 -4.926 6.601 1.00 72.05 O ATOM 1082 CB ARG X 64 4.361 -5.120 6.548 1.00 20.55 C ATOM 1083 CG ARG X 64 4.786 -5.912 5.299 1.00 10.10 C ATOM 1084 CD ARG X 64 4.752 -7.419 5.599 1.00 10.04 C ATOM 1085 NE ARG X 64 6.106 -8.021 5.304 1.00 70.41 N ATOM 1086 CZ ARG X 64 6.352 -9.262 5.551 1.00 4.21 C ATOM 1087 NH1 ARG X 64 5.402 -9.989 6.009 1.00 44.51 N ATOM 1088 NH2 ARG X 64 7.547 -9.771 5.323 1.00 22.00 N ATOM 0 H ARG X 64 4.158 -3.936 8.746 1.00 42.41 H new ATOM 0 HA ARG X 64 5.817 -6.107 7.810 1.00 71.21 H new ATOM 0 HB2 ARG X 64 3.481 -5.579 6.999 1.00 20.55 H new ATOM 0 HB3 ARG X 64 4.082 -4.104 6.268 1.00 20.55 H new ATOM 0 HG2 ARG X 64 4.119 -5.683 4.468 1.00 10.10 H new ATOM 0 HG3 ARG X 64 5.790 -5.616 4.994 1.00 10.10 H new ATOM 0 HD2 ARG X 64 4.487 -7.587 6.643 1.00 10.04 H new ATOM 0 HD3 ARG X 64 3.986 -7.904 4.993 1.00 10.04 H new ATOM 0 HE ARG X 64 6.838 -7.435 4.902 1.00 70.41 H new ATOM 0 HH11 ARG X 64 4.480 -9.582 6.169 1.00 44.51 H new ATOM 0 HH12 ARG X 64 5.567 -10.974 6.214 1.00 44.51 H new ATOM 0 HH21 ARG X 64 8.289 -9.181 4.947 1.00 22.00 H new ATOM 0 HH22 ARG X 64 7.729 -10.755 5.523 1.00 22.00 H new ATOM 1102 N ILE X 65 6.608 -3.041 6.853 1.00 3.24 N ATOM 1103 CA ILE X 65 7.727 -2.247 6.264 1.00 11.14 C ATOM 1104 C ILE X 65 8.984 -2.381 7.138 1.00 50.21 C ATOM 1105 O ILE X 65 10.085 -2.496 6.638 1.00 52.03 O ATOM 1106 CB ILE X 65 7.327 -0.769 6.189 1.00 24.12 C ATOM 1107 CG1 ILE X 65 6.013 -0.610 5.408 1.00 43.33 C ATOM 1108 CG2 ILE X 65 8.433 0.025 5.491 1.00 0.41 C ATOM 1109 CD1 ILE X 65 6.108 -1.322 4.055 1.00 75.14 C ATOM 0 H ILE X 65 5.797 -2.496 7.145 1.00 3.24 H new ATOM 0 HA ILE X 65 7.938 -2.625 5.263 1.00 11.14 H new ATOM 0 HB ILE X 65 7.185 -0.391 7.201 1.00 24.12 H new ATOM 0 HG12 ILE X 65 5.186 -1.023 5.986 1.00 43.33 H new ATOM 0 HG13 ILE X 65 5.799 0.448 5.256 1.00 43.33 H new ATOM 0 HG21 ILE X 65 8.148 1.076 5.438 1.00 0.41 H new ATOM 0 HG22 ILE X 65 9.361 -0.071 6.054 1.00 0.41 H new ATOM 0 HG23 ILE X 65 8.579 -0.363 4.483 1.00 0.41 H new ATOM 0 HD11 ILE X 65 5.170 -1.201 3.513 1.00 75.14 H new ATOM 0 HD12 ILE X 65 6.922 -0.890 3.473 1.00 75.14 H new ATOM 0 HD13 ILE X 65 6.300 -2.383 4.215 1.00 75.14 H new ATOM 1121 N ARG X 66 8.828 -2.360 8.438 1.00 53.23 N ATOM 1122 CA ARG X 66 10.015 -2.466 9.340 1.00 11.54 C ATOM 1123 C ARG X 66 10.784 -3.762 9.036 1.00 3.41 C ATOM 1124 O ARG X 66 12.000 -3.785 9.009 1.00 51.11 O ATOM 1125 CB ARG X 66 9.562 -2.491 10.811 1.00 73.53 C ATOM 1126 CG ARG X 66 9.063 -1.105 11.243 1.00 51.42 C ATOM 1127 CD ARG X 66 8.555 -1.175 12.685 1.00 62.11 C ATOM 1128 NE ARG X 66 9.690 -1.531 13.621 1.00 53.32 N ATOM 1129 CZ ARG X 66 9.518 -1.606 14.894 1.00 21.12 C ATOM 1130 NH1 ARG X 66 8.334 -1.474 15.377 1.00 55.34 N ATOM 1131 NH2 ARG X 66 10.538 -1.843 15.693 1.00 13.23 N ATOM 0 H ARG X 66 7.930 -2.274 8.914 1.00 53.23 H new ATOM 0 HA ARG X 66 10.659 -1.603 9.171 1.00 11.54 H new ATOM 0 HB2 ARG X 66 8.768 -3.227 10.941 1.00 73.53 H new ATOM 0 HB3 ARG X 66 10.391 -2.801 11.448 1.00 73.53 H new ATOM 0 HG2 ARG X 66 9.869 -0.375 11.165 1.00 51.42 H new ATOM 0 HG3 ARG X 66 8.265 -0.771 10.580 1.00 51.42 H new ATOM 0 HD2 ARG X 66 8.123 -0.217 12.973 1.00 62.11 H new ATOM 0 HD3 ARG X 66 7.762 -1.919 12.763 1.00 62.11 H new ATOM 0 HE ARG X 66 10.615 -1.716 13.233 1.00 53.32 H new ATOM 0 HH11 ARG X 66 7.544 -1.312 14.753 1.00 55.34 H new ATOM 0 HH12 ARG X 66 8.185 -1.532 16.384 1.00 55.34 H new ATOM 0 HH21 ARG X 66 11.472 -1.969 15.304 1.00 13.23 H new ATOM 0 HH22 ARG X 66 10.393 -1.901 16.701 1.00 13.23 H new ATOM 1145 N LYS X 67 10.082 -4.843 8.814 1.00 23.21 N ATOM 1146 CA LYS X 67 10.763 -6.147 8.538 1.00 24.41 C ATOM 1147 C LYS X 67 11.543 -6.050 7.220 1.00 70.53 C ATOM 1148 O LYS X 67 12.715 -6.366 7.161 1.00 45.21 O ATOM 1149 CB LYS X 67 9.708 -7.259 8.444 1.00 33.51 C ATOM 1150 CG LYS X 67 10.386 -8.622 8.253 1.00 70.43 C ATOM 1151 CD LYS X 67 9.320 -9.727 8.249 1.00 74.23 C ATOM 1152 CE LYS X 67 9.985 -11.096 8.063 1.00 53.22 C ATOM 1153 NZ LYS X 67 8.953 -12.172 8.140 1.00 44.15 N ATOM 0 H LYS X 67 9.063 -4.881 8.812 1.00 23.21 H new ATOM 0 HA LYS X 67 11.458 -6.378 9.345 1.00 24.41 H new ATOM 0 HB2 LYS X 67 9.101 -7.271 9.349 1.00 33.51 H new ATOM 0 HB3 LYS X 67 9.034 -7.061 7.611 1.00 33.51 H new ATOM 0 HG2 LYS X 67 10.943 -8.635 7.316 1.00 70.43 H new ATOM 0 HG3 LYS X 67 11.105 -8.798 9.053 1.00 70.43 H new ATOM 0 HD2 LYS X 67 8.762 -9.709 9.185 1.00 74.23 H new ATOM 0 HD3 LYS X 67 8.603 -9.550 7.447 1.00 74.23 H new ATOM 0 HE2 LYS X 67 10.494 -11.136 7.100 1.00 53.22 H new ATOM 0 HE3 LYS X 67 10.743 -11.250 8.831 1.00 53.22 H new ATOM 0 HZ1 LYS X 67 9.408 -13.099 8.013 1.00 44.15 H new ATOM 0 HZ2 LYS X 67 8.486 -12.139 9.069 1.00 44.15 H new ATOM 0 HZ3 LYS X 67 8.245 -12.028 7.392 1.00 44.15 H new ATOM 1167 N LEU X 68 10.908 -5.609 6.167 1.00 31.43 N ATOM 1168 CA LEU X 68 11.621 -5.492 4.860 1.00 72.03 C ATOM 1169 C LEU X 68 12.708 -4.418 4.978 1.00 42.20 C ATOM 1170 O LEU X 68 13.737 -4.485 4.335 1.00 42.12 O ATOM 1171 CB LEU X 68 10.636 -5.074 3.764 1.00 20.21 C ATOM 1172 CG LEU X 68 9.603 -6.176 3.513 1.00 64.23 C ATOM 1173 CD1 LEU X 68 8.469 -5.604 2.658 1.00 74.35 C ATOM 1174 CD2 LEU X 68 10.251 -7.344 2.767 1.00 40.12 C ATOM 0 H LEU X 68 9.928 -5.325 6.154 1.00 31.43 H new ATOM 0 HA LEU X 68 12.063 -6.455 4.605 1.00 72.03 H new ATOM 0 HB2 LEU X 68 10.129 -4.154 4.056 1.00 20.21 H new ATOM 0 HB3 LEU X 68 11.179 -4.861 2.843 1.00 20.21 H new ATOM 0 HG LEU X 68 9.216 -6.533 4.467 1.00 64.23 H new ATOM 0 HD11 LEU X 68 7.726 -6.380 2.472 1.00 74.35 H new ATOM 0 HD12 LEU X 68 8.001 -4.772 3.184 1.00 74.35 H new ATOM 0 HD13 LEU X 68 8.871 -5.252 1.708 1.00 74.35 H new ATOM 0 HD21 LEU X 68 9.508 -8.122 2.594 1.00 40.12 H new ATOM 0 HD22 LEU X 68 10.640 -6.994 1.811 1.00 40.12 H new ATOM 0 HD23 LEU X 68 11.068 -7.749 3.364 1.00 40.12 H new ATOM 1186 N CYS X 69 12.478 -3.419 5.790 1.00 1.33 N ATOM 1187 CA CYS X 69 13.478 -2.320 5.936 1.00 64.55 C ATOM 1188 C CYS X 69 14.817 -2.900 6.396 1.00 14.44 C ATOM 1189 O CYS X 69 15.850 -2.650 5.803 1.00 34.45 O ATOM 1190 CB CYS X 69 12.976 -1.311 6.971 1.00 2.02 C ATOM 1191 SG CYS X 69 11.917 -0.089 6.155 1.00 62.31 S ATOM 0 H CYS X 69 11.638 -3.317 6.360 1.00 1.33 H new ATOM 0 HA CYS X 69 13.612 -1.822 4.976 1.00 64.55 H new ATOM 0 HB2 CYS X 69 12.420 -1.824 7.756 1.00 2.02 H new ATOM 0 HB3 CYS X 69 13.820 -0.815 7.451 1.00 2.02 H new ATOM 0 HG CYS X 69 11.487 0.768 7.033 1.00 62.31 H new ATOM 1197 N LYS X 70 14.807 -3.674 7.446 1.00 70.53 N ATOM 1198 CA LYS X 70 16.076 -4.274 7.945 1.00 4.10 C ATOM 1199 C LYS X 70 16.625 -5.246 6.895 1.00 62.34 C ATOM 1200 O LYS X 70 17.821 -5.394 6.734 1.00 74.54 O ATOM 1201 CB LYS X 70 15.807 -5.044 9.241 1.00 65.10 C ATOM 1202 CG LYS X 70 15.886 -4.100 10.448 1.00 11.24 C ATOM 1203 CD LYS X 70 14.949 -2.908 10.240 1.00 42.51 C ATOM 1204 CE LYS X 70 14.907 -2.063 11.519 1.00 24.42 C ATOM 1205 NZ LYS X 70 16.204 -1.347 11.685 1.00 61.00 N ATOM 0 H LYS X 70 13.973 -3.917 7.981 1.00 70.53 H new ATOM 0 HA LYS X 70 16.799 -3.480 8.133 1.00 4.10 H new ATOM 0 HB2 LYS X 70 14.822 -5.509 9.198 1.00 65.10 H new ATOM 0 HB3 LYS X 70 16.534 -5.848 9.352 1.00 65.10 H new ATOM 0 HG2 LYS X 70 15.612 -4.635 11.357 1.00 11.24 H new ATOM 0 HG3 LYS X 70 16.910 -3.750 10.580 1.00 11.24 H new ATOM 0 HD2 LYS X 70 15.294 -2.302 9.402 1.00 42.51 H new ATOM 0 HD3 LYS X 70 13.948 -3.258 9.989 1.00 42.51 H new ATOM 0 HE2 LYS X 70 14.088 -1.346 11.467 1.00 24.42 H new ATOM 0 HE3 LYS X 70 14.718 -2.701 12.383 1.00 24.42 H new ATOM 0 HZ1 LYS X 70 16.130 -0.672 12.473 1.00 61.00 H new ATOM 0 HZ2 LYS X 70 16.957 -2.035 11.888 1.00 61.00 H new ATOM 0 HZ3 LYS X 70 16.431 -0.833 10.810 1.00 61.00 H new ATOM 1219 N GLU X 71 15.756 -5.919 6.187 1.00 24.24 N ATOM 1220 CA GLU X 71 16.216 -6.925 5.182 1.00 14.11 C ATOM 1221 C GLU X 71 17.186 -6.282 4.183 1.00 54.03 C ATOM 1222 O GLU X 71 18.356 -6.606 4.149 1.00 1.11 O ATOM 1223 CB GLU X 71 15.011 -7.469 4.412 1.00 61.12 C ATOM 1224 CG GLU X 71 14.231 -8.447 5.288 1.00 64.43 C ATOM 1225 CD GLU X 71 15.043 -9.730 5.475 1.00 22.04 C ATOM 1226 OE1 GLU X 71 15.904 -9.987 4.651 1.00 55.33 O ATOM 1227 OE2 GLU X 71 14.791 -10.433 6.440 1.00 50.20 O ATOM 0 H GLU X 71 14.744 -5.815 6.261 1.00 24.24 H new ATOM 0 HA GLU X 71 16.723 -7.732 5.710 1.00 14.11 H new ATOM 0 HB2 GLU X 71 14.364 -6.647 4.105 1.00 61.12 H new ATOM 0 HB3 GLU X 71 15.345 -7.969 3.503 1.00 61.12 H new ATOM 0 HG2 GLU X 71 14.020 -7.994 6.257 1.00 64.43 H new ATOM 0 HG3 GLU X 71 13.270 -8.677 4.827 1.00 64.43 H new ATOM 1234 N HIS X 72 16.707 -5.390 3.358 1.00 34.31 N ATOM 1235 CA HIS X 72 17.596 -4.772 2.332 1.00 40.10 C ATOM 1236 C HIS X 72 18.406 -3.634 2.965 1.00 21.44 C ATOM 1237 O HIS X 72 19.150 -2.944 2.296 1.00 41.44 O ATOM 1238 CB HIS X 72 16.741 -4.227 1.187 1.00 73.40 C ATOM 1239 CG HIS X 72 15.571 -3.458 1.744 1.00 41.11 C ATOM 1240 ND1 HIS X 72 15.682 -2.141 2.169 1.00 23.33 N ATOM 1241 CD2 HIS X 72 14.257 -3.807 1.946 1.00 42.33 C ATOM 1242 CE1 HIS X 72 14.468 -1.749 2.600 1.00 1.21 C ATOM 1243 NE2 HIS X 72 13.568 -2.726 2.485 1.00 35.23 N ATOM 0 H HIS X 72 15.741 -5.063 3.350 1.00 34.31 H new ATOM 0 HA HIS X 72 18.285 -5.523 1.945 1.00 40.10 H new ATOM 0 HB2 HIS X 72 17.342 -3.580 0.548 1.00 73.40 H new ATOM 0 HB3 HIS X 72 16.385 -5.048 0.564 1.00 73.40 H new ATOM 0 HD2 HIS X 72 13.826 -4.771 1.721 1.00 42.33 H new ATOM 0 HE1 HIS X 72 14.250 -0.766 2.990 1.00 1.21 H new ATOM 0 HE2 HIS X 72 12.581 -2.688 2.739 1.00 35.23 H new ATOM 1252 N ASN X 73 18.269 -3.436 4.247 1.00 62.51 N ATOM 1253 CA ASN X 73 19.050 -2.362 4.934 1.00 40.03 C ATOM 1254 C ASN X 73 19.162 -1.138 4.025 1.00 50.53 C ATOM 1255 O ASN X 73 20.188 -0.488 3.974 1.00 20.41 O ATOM 1256 CB ASN X 73 20.454 -2.884 5.255 1.00 32.24 C ATOM 1257 CG ASN X 73 21.155 -1.881 6.176 1.00 52.32 C ATOM 1258 OD1 ASN X 73 21.926 -1.055 5.728 1.00 43.45 O ATOM 1259 ND2 ASN X 73 20.933 -1.930 7.465 1.00 2.51 N ATOM 0 H ASN X 73 17.648 -3.972 4.853 1.00 62.51 H new ATOM 0 HA ASN X 73 18.540 -2.080 5.855 1.00 40.03 H new ATOM 0 HB2 ASN X 73 20.393 -3.860 5.737 1.00 32.24 H new ATOM 0 HB3 ASN X 73 21.026 -3.017 4.337 1.00 32.24 H new ATOM 0 HD21 ASN X 73 21.406 -1.277 8.089 1.00 2.51 H new ATOM 0 HD22 ASN X 73 20.287 -2.622 7.845 1.00 2.51 H new ATOM 1266 N VAL X 74 18.126 -0.815 3.309 1.00 63.43 N ATOM 1267 CA VAL X 74 18.180 0.391 2.437 1.00 33.33 C ATOM 1268 C VAL X 74 18.005 1.647 3.297 1.00 70.51 C ATOM 1269 O VAL X 74 18.686 2.636 3.116 1.00 55.11 O ATOM 1270 CB VAL X 74 17.062 0.315 1.397 1.00 14.40 C ATOM 1271 CG1 VAL X 74 16.948 1.652 0.664 1.00 64.23 C ATOM 1272 CG2 VAL X 74 17.377 -0.792 0.390 1.00 4.12 C ATOM 0 H VAL X 74 17.246 -1.330 3.288 1.00 63.43 H new ATOM 0 HA VAL X 74 19.143 0.434 1.928 1.00 33.33 H new ATOM 0 HB VAL X 74 16.119 0.096 1.897 1.00 14.40 H new ATOM 0 HG11 VAL X 74 16.150 1.594 -0.076 1.00 64.23 H new ATOM 0 HG12 VAL X 74 16.722 2.442 1.380 1.00 64.23 H new ATOM 0 HG13 VAL X 74 17.891 1.875 0.165 1.00 64.23 H new ATOM 0 HG21 VAL X 74 16.580 -0.847 -0.352 1.00 4.12 H new ATOM 0 HG22 VAL X 74 18.322 -0.573 -0.108 1.00 4.12 H new ATOM 0 HG23 VAL X 74 17.454 -1.746 0.911 1.00 4.12 H new ATOM 1282 N ASP X 75 17.100 1.610 4.242 1.00 3.11 N ATOM 1283 CA ASP X 75 16.881 2.800 5.114 1.00 25.14 C ATOM 1284 C ASP X 75 16.042 2.408 6.335 1.00 1.24 C ATOM 1285 O ASP X 75 15.889 1.244 6.649 1.00 61.21 O ATOM 1286 CB ASP X 75 16.157 3.891 4.323 1.00 42.25 C ATOM 1287 CG ASP X 75 14.765 3.398 3.915 1.00 44.35 C ATOM 1288 OD1 ASP X 75 14.477 2.238 4.148 1.00 62.30 O ATOM 1289 OD2 ASP X 75 14.011 4.194 3.377 1.00 0.10 O ATOM 0 H ASP X 75 16.505 0.807 4.446 1.00 3.11 H new ATOM 0 HA ASP X 75 17.847 3.176 5.451 1.00 25.14 H new ATOM 0 HB2 ASP X 75 16.071 4.794 4.927 1.00 42.25 H new ATOM 0 HB3 ASP X 75 16.734 4.154 3.437 1.00 42.25 H new ATOM 1294 N GLU X 76 15.502 3.379 7.029 1.00 41.45 N ATOM 1295 CA GLU X 76 14.673 3.068 8.232 1.00 23.33 C ATOM 1296 C GLU X 76 13.469 4.014 8.298 1.00 42.04 C ATOM 1297 O GLU X 76 12.435 3.764 7.711 1.00 14.43 O ATOM 1298 CB GLU X 76 15.522 3.249 9.494 1.00 54.01 C ATOM 1299 CG GLU X 76 14.700 2.857 10.723 1.00 62.45 C ATOM 1300 CD GLU X 76 15.571 2.970 11.979 1.00 52.23 C ATOM 1301 OE1 GLU X 76 16.778 3.063 11.831 1.00 11.55 O ATOM 1302 OE2 GLU X 76 15.017 2.960 13.066 1.00 25.52 O ATOM 0 H GLU X 76 15.600 4.371 6.814 1.00 41.45 H new ATOM 0 HA GLU X 76 14.320 2.039 8.165 1.00 23.33 H new ATOM 0 HB2 GLU X 76 16.420 2.634 9.432 1.00 54.01 H new ATOM 0 HB3 GLU X 76 15.851 4.285 9.578 1.00 54.01 H new ATOM 0 HG2 GLU X 76 13.829 3.506 10.813 1.00 62.45 H new ATOM 0 HG3 GLU X 76 14.329 1.838 10.615 1.00 62.45 H new ATOM 1309 N ASN X 77 13.593 5.092 9.027 1.00 10.10 N ATOM 1310 CA ASN X 77 12.456 6.051 9.160 1.00 15.13 C ATOM 1311 C ASN X 77 12.067 6.628 7.795 1.00 23.04 C ATOM 1312 O ASN X 77 10.902 6.800 7.499 1.00 63.24 O ATOM 1313 CB ASN X 77 12.859 7.196 10.096 1.00 22.42 C ATOM 1314 CG ASN X 77 14.211 7.770 9.661 1.00 60.52 C ATOM 1315 OD1 ASN X 77 15.228 7.114 9.775 1.00 40.32 O ATOM 1316 ND2 ASN X 77 14.269 8.980 9.176 1.00 51.52 N ATOM 0 H ASN X 77 14.437 5.351 9.538 1.00 10.10 H new ATOM 0 HA ASN X 77 11.600 5.516 9.571 1.00 15.13 H new ATOM 0 HB2 ASN X 77 12.099 7.977 10.078 1.00 22.42 H new ATOM 0 HB3 ASN X 77 12.920 6.834 11.122 1.00 22.42 H new ATOM 0 HD21 ASN X 77 15.167 9.374 8.893 1.00 51.52 H new ATOM 0 HD22 ASN X 77 13.417 9.532 9.079 1.00 51.52 H new ATOM 1323 N ILE X 78 13.022 6.945 6.966 1.00 31.54 N ATOM 1324 CA ILE X 78 12.683 7.524 5.632 1.00 21.51 C ATOM 1325 C ILE X 78 11.714 6.602 4.889 1.00 53.20 C ATOM 1326 O ILE X 78 10.778 7.047 4.257 1.00 50.15 O ATOM 1327 CB ILE X 78 13.957 7.687 4.805 1.00 11.31 C ATOM 1328 CG1 ILE X 78 15.008 8.439 5.625 1.00 65.21 C ATOM 1329 CG2 ILE X 78 13.639 8.483 3.537 1.00 45.30 C ATOM 1330 CD1 ILE X 78 16.217 7.532 5.864 1.00 54.44 C ATOM 0 H ILE X 78 14.018 6.830 7.151 1.00 31.54 H new ATOM 0 HA ILE X 78 12.212 8.496 5.779 1.00 21.51 H new ATOM 0 HB ILE X 78 14.343 6.704 4.535 1.00 11.31 H new ATOM 0 HG12 ILE X 78 15.317 9.342 5.099 1.00 65.21 H new ATOM 0 HG13 ILE X 78 14.583 8.755 6.578 1.00 65.21 H new ATOM 0 HG21 ILE X 78 14.546 8.601 2.944 1.00 45.30 H new ATOM 0 HG22 ILE X 78 12.890 7.950 2.951 1.00 45.30 H new ATOM 0 HG23 ILE X 78 13.254 9.465 3.811 1.00 45.30 H new ATOM 0 HD11 ILE X 78 16.965 8.069 6.448 1.00 54.44 H new ATOM 0 HD12 ILE X 78 15.902 6.642 6.408 1.00 54.44 H new ATOM 0 HD13 ILE X 78 16.647 7.239 4.906 1.00 54.44 H new ATOM 1342 N GLY X 79 11.941 5.317 4.946 1.00 42.22 N ATOM 1343 CA GLY X 79 11.047 4.365 4.225 1.00 32.23 C ATOM 1344 C GLY X 79 9.630 4.420 4.804 1.00 22.41 C ATOM 1345 O GLY X 79 8.658 4.490 4.081 1.00 0.02 O ATOM 0 H GLY X 79 12.708 4.885 5.461 1.00 42.22 H new ATOM 0 HA2 GLY X 79 11.023 4.612 3.164 1.00 32.23 H new ATOM 0 HA3 GLY X 79 11.441 3.352 4.308 1.00 32.23 H new ATOM 1349 N ILE X 80 9.506 4.375 6.104 1.00 5.22 N ATOM 1350 CA ILE X 80 8.147 4.386 6.726 1.00 53.43 C ATOM 1351 C ILE X 80 7.419 5.695 6.392 1.00 35.43 C ATOM 1352 O ILE X 80 6.244 5.702 6.090 1.00 20.13 O ATOM 1353 CB ILE X 80 8.280 4.266 8.243 1.00 52.02 C ATOM 1354 CG1 ILE X 80 8.788 2.867 8.606 1.00 22.24 C ATOM 1355 CG2 ILE X 80 6.915 4.496 8.892 1.00 2.11 C ATOM 1356 CD1 ILE X 80 9.140 2.820 10.095 1.00 1.44 C ATOM 0 H ILE X 80 10.284 4.331 6.762 1.00 5.22 H new ATOM 0 HA ILE X 80 7.575 3.546 6.332 1.00 53.43 H new ATOM 0 HB ILE X 80 8.987 5.012 8.605 1.00 52.02 H new ATOM 0 HG12 ILE X 80 8.026 2.122 8.378 1.00 22.24 H new ATOM 0 HG13 ILE X 80 9.664 2.620 8.007 1.00 22.24 H new ATOM 0 HG21 ILE X 80 7.008 4.411 9.975 1.00 2.11 H new ATOM 0 HG22 ILE X 80 6.554 5.492 8.636 1.00 2.11 H new ATOM 0 HG23 ILE X 80 6.209 3.749 8.529 1.00 2.11 H new ATOM 0 HD11 ILE X 80 9.501 1.824 10.352 1.00 1.44 H new ATOM 0 HD12 ILE X 80 9.917 3.554 10.309 1.00 1.44 H new ATOM 0 HD13 ILE X 80 8.253 3.048 10.686 1.00 1.44 H new ATOM 1368 N LYS X 81 8.107 6.805 6.460 1.00 64.30 N ATOM 1369 CA LYS X 81 7.453 8.112 6.148 1.00 55.13 C ATOM 1370 C LYS X 81 6.880 8.102 4.722 1.00 54.33 C ATOM 1371 O LYS X 81 5.835 8.662 4.462 1.00 3.31 O ATOM 1372 CB LYS X 81 8.485 9.236 6.250 1.00 70.23 C ATOM 1373 CG LYS X 81 8.851 9.486 7.715 1.00 15.45 C ATOM 1374 CD LYS X 81 9.875 10.623 7.805 1.00 32.43 C ATOM 1375 CE LYS X 81 10.087 11.012 9.274 1.00 24.13 C ATOM 1376 NZ LYS X 81 10.625 9.840 10.026 1.00 52.33 N ATOM 0 H LYS X 81 9.092 6.864 6.718 1.00 64.30 H new ATOM 0 HA LYS X 81 6.644 8.272 6.861 1.00 55.13 H new ATOM 0 HB2 LYS X 81 9.378 8.972 5.684 1.00 70.23 H new ATOM 0 HB3 LYS X 81 8.085 10.148 5.807 1.00 70.23 H new ATOM 0 HG2 LYS X 81 7.958 9.742 8.284 1.00 15.45 H new ATOM 0 HG3 LYS X 81 9.261 8.578 8.157 1.00 15.45 H new ATOM 0 HD2 LYS X 81 10.820 10.310 7.361 1.00 32.43 H new ATOM 0 HD3 LYS X 81 9.526 11.485 7.237 1.00 32.43 H new ATOM 0 HE2 LYS X 81 10.779 11.851 9.343 1.00 24.13 H new ATOM 0 HE3 LYS X 81 9.145 11.339 9.714 1.00 24.13 H new ATOM 0 HZ1 LYS X 81 9.903 9.492 10.689 1.00 52.33 H new ATOM 0 HZ2 LYS X 81 10.875 9.083 9.357 1.00 52.33 H new ATOM 0 HZ3 LYS X 81 11.472 10.127 10.556 1.00 52.33 H new ATOM 1390 N ILE X 82 7.566 7.489 3.795 1.00 22.23 N ATOM 1391 CA ILE X 82 7.068 7.461 2.386 1.00 74.43 C ATOM 1392 C ILE X 82 5.771 6.642 2.283 1.00 33.03 C ATOM 1393 O ILE X 82 4.832 7.034 1.619 1.00 10.32 O ATOM 1394 CB ILE X 82 8.133 6.817 1.504 1.00 31.30 C ATOM 1395 CG1 ILE X 82 9.359 7.731 1.436 1.00 71.33 C ATOM 1396 CG2 ILE X 82 7.569 6.611 0.094 1.00 42.12 C ATOM 1397 CD1 ILE X 82 10.522 6.983 0.778 1.00 12.50 C ATOM 0 H ILE X 82 8.451 7.006 3.951 1.00 22.23 H new ATOM 0 HA ILE X 82 6.863 8.481 2.062 1.00 74.43 H new ATOM 0 HB ILE X 82 8.422 5.854 1.924 1.00 31.30 H new ATOM 0 HG12 ILE X 82 9.123 8.630 0.867 1.00 71.33 H new ATOM 0 HG13 ILE X 82 9.641 8.053 2.438 1.00 71.33 H new ATOM 0 HG21 ILE X 82 8.329 6.151 -0.538 1.00 42.12 H new ATOM 0 HG22 ILE X 82 6.695 5.961 0.143 1.00 42.12 H new ATOM 0 HG23 ILE X 82 7.281 7.574 -0.327 1.00 42.12 H new ATOM 0 HD11 ILE X 82 11.394 7.635 0.731 1.00 12.50 H new ATOM 0 HD12 ILE X 82 10.763 6.097 1.365 1.00 12.50 H new ATOM 0 HD13 ILE X 82 10.238 6.683 -0.231 1.00 12.50 H new ATOM 1409 N PHE X 83 5.714 5.510 2.928 1.00 64.12 N ATOM 1410 CA PHE X 83 4.484 4.669 2.854 1.00 4.22 C ATOM 1411 C PHE X 83 3.275 5.470 3.357 1.00 64.44 C ATOM 1412 O PHE X 83 2.220 5.466 2.750 1.00 24.24 O ATOM 1413 CB PHE X 83 4.678 3.427 3.728 1.00 63.22 C ATOM 1414 CG PHE X 83 5.375 2.348 2.933 1.00 31.20 C ATOM 1415 CD1 PHE X 83 4.660 1.603 1.987 1.00 73.41 C ATOM 1416 CD2 PHE X 83 6.738 2.098 3.136 1.00 11.32 C ATOM 1417 CE1 PHE X 83 5.308 0.606 1.245 1.00 33.10 C ATOM 1418 CE2 PHE X 83 7.384 1.100 2.394 1.00 50.33 C ATOM 1419 CZ PHE X 83 6.669 0.355 1.449 1.00 63.33 C ATOM 0 H PHE X 83 6.465 5.130 3.504 1.00 64.12 H new ATOM 0 HA PHE X 83 4.306 4.370 1.821 1.00 4.22 H new ATOM 0 HB2 PHE X 83 5.266 3.680 4.610 1.00 63.22 H new ATOM 0 HB3 PHE X 83 3.713 3.065 4.082 1.00 63.22 H new ATOM 0 HD1 PHE X 83 3.609 1.797 1.829 1.00 73.41 H new ATOM 0 HD2 PHE X 83 7.291 2.674 3.864 1.00 11.32 H new ATOM 0 HE1 PHE X 83 4.756 0.031 0.516 1.00 33.10 H new ATOM 0 HE2 PHE X 83 8.435 0.905 2.551 1.00 50.33 H new ATOM 0 HZ PHE X 83 7.168 -0.414 0.877 1.00 63.33 H new ATOM 1429 N GLN X 84 3.419 6.154 4.456 1.00 3.32 N ATOM 1430 CA GLN X 84 2.285 6.955 5.001 1.00 51.11 C ATOM 1431 C GLN X 84 1.755 7.885 3.907 1.00 4.11 C ATOM 1432 O GLN X 84 0.562 8.063 3.752 1.00 74.53 O ATOM 1433 CB GLN X 84 2.793 7.778 6.188 1.00 23.32 C ATOM 1434 CG GLN X 84 1.648 8.601 6.786 1.00 55.20 C ATOM 1435 CD GLN X 84 2.143 9.303 8.053 1.00 32.22 C ATOM 1436 OE1 GLN X 84 3.157 8.928 8.611 1.00 35.30 O ATOM 1437 NE2 GLN X 84 1.463 10.305 8.540 1.00 64.23 N ATOM 0 H GLN X 84 4.278 6.194 5.005 1.00 3.32 H new ATOM 0 HA GLN X 84 1.480 6.298 5.330 1.00 51.11 H new ATOM 0 HB2 GLN X 84 3.211 7.117 6.947 1.00 23.32 H new ATOM 0 HB3 GLN X 84 3.597 8.440 5.865 1.00 23.32 H new ATOM 0 HG2 GLN X 84 1.296 9.336 6.062 1.00 55.20 H new ATOM 0 HG3 GLN X 84 0.803 7.954 7.021 1.00 55.20 H new ATOM 0 HE21 GLN X 84 0.613 10.620 8.072 1.00 64.23 H new ATOM 0 HE22 GLN X 84 1.782 10.773 9.388 1.00 64.23 H new ATOM 1446 N ARG X 85 2.635 8.477 3.144 1.00 53.44 N ATOM 1447 CA ARG X 85 2.191 9.391 2.055 1.00 20.42 C ATOM 1448 C ARG X 85 1.329 8.599 1.058 1.00 64.32 C ATOM 1449 O ARG X 85 0.329 9.084 0.564 1.00 20.32 O ATOM 1450 CB ARG X 85 3.422 9.965 1.334 1.00 51.13 C ATOM 1451 CG ARG X 85 4.163 10.969 2.237 1.00 32.50 C ATOM 1452 CD ARG X 85 5.423 11.477 1.521 1.00 53.45 C ATOM 1453 NE ARG X 85 5.037 12.241 0.297 1.00 74.01 N ATOM 1454 CZ ARG X 85 5.960 12.870 -0.391 1.00 41.40 C ATOM 1455 NH1 ARG X 85 7.223 12.714 -0.074 1.00 43.13 N ATOM 1456 NH2 ARG X 85 5.649 13.596 -1.435 1.00 33.34 N ATOM 0 H ARG X 85 3.645 8.366 3.230 1.00 53.44 H new ATOM 0 HA ARG X 85 1.607 10.211 2.474 1.00 20.42 H new ATOM 0 HB2 ARG X 85 4.095 9.155 1.053 1.00 51.13 H new ATOM 0 HB3 ARG X 85 3.113 10.457 0.412 1.00 51.13 H new ATOM 0 HG2 ARG X 85 3.509 11.806 2.480 1.00 32.50 H new ATOM 0 HG3 ARG X 85 4.435 10.493 3.179 1.00 32.50 H new ATOM 0 HD2 ARG X 85 6.001 12.114 2.191 1.00 53.45 H new ATOM 0 HD3 ARG X 85 6.062 10.637 1.250 1.00 53.45 H new ATOM 0 HE ARG X 85 4.062 12.273 -0.002 1.00 74.01 H new ATOM 0 HH11 ARG X 85 7.482 12.107 0.703 1.00 43.13 H new ATOM 0 HH12 ARG X 85 7.946 13.200 -0.605 1.00 43.13 H new ATOM 0 HH21 ARG X 85 4.675 13.680 -1.726 1.00 33.34 H new ATOM 0 HH22 ARG X 85 6.381 14.078 -1.957 1.00 33.34 H new ATOM 1470 N LEU X 86 1.710 7.382 0.763 1.00 62.43 N ATOM 1471 CA LEU X 86 0.918 6.548 -0.193 1.00 30.43 C ATOM 1472 C LEU X 86 -0.465 6.254 0.395 1.00 24.03 C ATOM 1473 O LEU X 86 -1.462 6.263 -0.299 1.00 63.14 O ATOM 1474 CB LEU X 86 1.646 5.221 -0.436 1.00 45.15 C ATOM 1475 CG LEU X 86 3.093 5.480 -0.863 1.00 44.52 C ATOM 1476 CD1 LEU X 86 3.818 4.149 -1.070 1.00 44.13 C ATOM 1477 CD2 LEU X 86 3.109 6.278 -2.164 1.00 71.33 C ATOM 0 H LEU X 86 2.540 6.928 1.145 1.00 62.43 H new ATOM 0 HA LEU X 86 0.808 7.091 -1.132 1.00 30.43 H new ATOM 0 HB2 LEU X 86 1.630 4.618 0.472 1.00 45.15 H new ATOM 0 HB3 LEU X 86 1.129 4.650 -1.207 1.00 45.15 H new ATOM 0 HG LEU X 86 3.600 6.048 -0.083 1.00 44.52 H new ATOM 0 HD11 LEU X 86 4.847 4.339 -1.374 1.00 44.13 H new ATOM 0 HD12 LEU X 86 3.813 3.583 -0.138 1.00 44.13 H new ATOM 0 HD13 LEU X 86 3.311 3.575 -1.846 1.00 44.13 H new ATOM 0 HD21 LEU X 86 4.140 6.461 -2.466 1.00 71.33 H new ATOM 0 HD22 LEU X 86 2.598 5.713 -2.944 1.00 71.33 H new ATOM 0 HD23 LEU X 86 2.601 7.230 -2.013 1.00 71.33 H new ATOM 1489 N ILE X 87 -0.533 5.986 1.673 1.00 34.44 N ATOM 1490 CA ILE X 87 -1.850 5.689 2.312 1.00 64.33 C ATOM 1491 C ILE X 87 -2.728 6.947 2.287 1.00 20.30 C ATOM 1492 O ILE X 87 -3.906 6.889 2.001 1.00 4.44 O ATOM 1493 CB ILE X 87 -1.626 5.249 3.760 1.00 43.52 C ATOM 1494 CG1 ILE X 87 -0.642 4.072 3.794 1.00 72.15 C ATOM 1495 CG2 ILE X 87 -2.956 4.821 4.381 1.00 50.02 C ATOM 1496 CD1 ILE X 87 -1.171 2.924 2.928 1.00 42.22 C ATOM 0 H ILE X 87 0.268 5.960 2.303 1.00 34.44 H new ATOM 0 HA ILE X 87 -2.348 4.890 1.763 1.00 64.33 H new ATOM 0 HB ILE X 87 -1.214 6.083 4.329 1.00 43.52 H new ATOM 0 HG12 ILE X 87 0.334 4.393 3.431 1.00 72.15 H new ATOM 0 HG13 ILE X 87 -0.504 3.731 4.820 1.00 72.15 H new ATOM 0 HG21 ILE X 87 -2.792 4.508 5.412 1.00 50.02 H new ATOM 0 HG22 ILE X 87 -3.653 5.659 4.362 1.00 50.02 H new ATOM 0 HG23 ILE X 87 -3.373 3.990 3.812 1.00 50.02 H new ATOM 0 HD11 ILE X 87 -0.467 2.092 2.957 1.00 42.22 H new ATOM 0 HD12 ILE X 87 -2.137 2.595 3.310 1.00 42.22 H new ATOM 0 HD13 ILE X 87 -1.285 3.267 1.900 1.00 42.22 H new ATOM 1508 N GLU X 88 -2.158 8.084 2.583 1.00 74.11 N ATOM 1509 CA GLU X 88 -2.956 9.345 2.585 1.00 13.14 C ATOM 1510 C GLU X 88 -3.722 9.457 1.264 1.00 20.12 C ATOM 1511 O GLU X 88 -4.935 9.529 1.240 1.00 40.25 O ATOM 1512 CB GLU X 88 -2.004 10.536 2.732 1.00 42.41 C ATOM 1513 CG GLU X 88 -2.804 11.831 2.901 1.00 45.01 C ATOM 1514 CD GLU X 88 -3.495 11.824 4.266 1.00 12.40 C ATOM 1515 OE1 GLU X 88 -3.203 10.936 5.051 1.00 75.42 O ATOM 1516 OE2 GLU X 88 -4.305 12.704 4.504 1.00 73.00 O ATOM 0 H GLU X 88 -1.173 8.195 2.824 1.00 74.11 H new ATOM 0 HA GLU X 88 -3.664 9.339 3.414 1.00 13.14 H new ATOM 0 HB2 GLU X 88 -1.353 10.387 3.593 1.00 42.41 H new ATOM 0 HB3 GLU X 88 -1.361 10.608 1.855 1.00 42.41 H new ATOM 0 HG2 GLU X 88 -2.143 12.694 2.820 1.00 45.01 H new ATOM 0 HG3 GLU X 88 -3.544 11.921 2.106 1.00 45.01 H new ATOM 1523 N HIS X 89 -3.019 9.468 0.165 1.00 31.35 N ATOM 1524 CA HIS X 89 -3.694 9.597 -1.159 1.00 5.44 C ATOM 1525 C HIS X 89 -4.600 8.382 -1.384 1.00 45.14 C ATOM 1526 O HIS X 89 -5.546 8.431 -2.147 1.00 4.14 O ATOM 1527 CB HIS X 89 -2.624 9.692 -2.254 1.00 2.51 C ATOM 1528 CG HIS X 89 -2.206 8.321 -2.717 1.00 72.25 C ATOM 1529 ND1 HIS X 89 -0.925 7.827 -2.508 1.00 43.44 N ATOM 1530 CD2 HIS X 89 -2.873 7.347 -3.420 1.00 0.55 C ATOM 1531 CE1 HIS X 89 -0.861 6.610 -3.079 1.00 44.21 C ATOM 1532 NE2 HIS X 89 -2.020 6.272 -3.646 1.00 4.33 N ATOM 0 H HIS X 89 -2.003 9.393 0.126 1.00 31.35 H new ATOM 0 HA HIS X 89 -4.309 10.497 -1.189 1.00 5.44 H new ATOM 0 HB2 HIS X 89 -3.011 10.263 -3.098 1.00 2.51 H new ATOM 0 HB3 HIS X 89 -1.757 10.232 -1.875 1.00 2.51 H new ATOM 0 HD1 HIS X 89 -0.170 8.300 -2.012 1.00 43.44 H new ATOM 0 HD2 HIS X 89 -3.901 7.407 -3.747 1.00 0.55 H new ATOM 0 HE1 HIS X 89 0.020 5.985 -3.078 1.00 44.21 H new ATOM 1541 N ASN X 90 -4.330 7.301 -0.705 1.00 33.24 N ATOM 1542 CA ASN X 90 -5.181 6.085 -0.849 1.00 34.44 C ATOM 1543 C ASN X 90 -6.523 6.337 -0.152 1.00 43.01 C ATOM 1544 O ASN X 90 -7.577 6.057 -0.687 1.00 54.24 O ATOM 1545 CB ASN X 90 -4.468 4.899 -0.191 1.00 73.41 C ATOM 1546 CG ASN X 90 -5.129 3.586 -0.620 1.00 31.52 C ATOM 1547 OD1 ASN X 90 -4.904 3.117 -1.818 1.00 52.44 O flip ATOM 1548 ND2 ASN X 90 -5.850 2.977 0.144 1.00 43.21 N flip ATOM 0 H ASN X 90 -3.552 7.207 -0.053 1.00 33.24 H new ATOM 0 HA ASN X 90 -5.354 5.864 -1.902 1.00 34.44 H new ATOM 0 HB2 ASN X 90 -3.415 4.895 -0.474 1.00 73.41 H new ATOM 0 HB3 ASN X 90 -4.506 4.997 0.894 1.00 73.41 H new ATOM 0 HD21 ASN X 90 -6.026 3.343 1.080 1.00 43.21 H new ATOM 0 HD22 ASN X 90 -6.279 2.100 -0.150 1.00 43.21 H new ATOM 1555 N LYS X 91 -6.486 6.874 1.041 1.00 32.33 N ATOM 1556 CA LYS X 91 -7.751 7.171 1.778 1.00 20.42 C ATOM 1557 C LYS X 91 -8.466 8.336 1.091 1.00 63.20 C ATOM 1558 O LYS X 91 -9.630 8.257 0.752 1.00 0.42 O ATOM 1559 CB LYS X 91 -7.413 7.558 3.227 1.00 40.45 C ATOM 1560 CG LYS X 91 -8.697 7.907 3.991 1.00 72.33 C ATOM 1561 CD LYS X 91 -8.353 8.286 5.438 1.00 21.03 C ATOM 1562 CE LYS X 91 -9.636 8.612 6.208 1.00 2.14 C ATOM 1563 NZ LYS X 91 -10.383 9.694 5.500 1.00 62.21 N ATOM 0 H LYS X 91 -5.630 7.120 1.538 1.00 32.33 H new ATOM 0 HA LYS X 91 -8.397 6.293 1.778 1.00 20.42 H new ATOM 0 HB2 LYS X 91 -6.899 6.734 3.721 1.00 40.45 H new ATOM 0 HB3 LYS X 91 -6.732 8.409 3.235 1.00 40.45 H new ATOM 0 HG2 LYS X 91 -9.210 8.734 3.501 1.00 72.33 H new ATOM 0 HG3 LYS X 91 -9.380 7.058 3.980 1.00 72.33 H new ATOM 0 HD2 LYS X 91 -7.826 7.465 5.923 1.00 21.03 H new ATOM 0 HD3 LYS X 91 -7.683 9.146 5.449 1.00 21.03 H new ATOM 0 HE2 LYS X 91 -10.258 7.721 6.292 1.00 2.14 H new ATOM 0 HE3 LYS X 91 -9.393 8.928 7.223 1.00 2.14 H new ATOM 0 HZ1 LYS X 91 -10.864 10.297 6.197 1.00 62.21 H new ATOM 0 HZ2 LYS X 91 -9.718 10.269 4.945 1.00 62.21 H new ATOM 0 HZ3 LYS X 91 -11.088 9.270 4.864 1.00 62.21 H new ATOM 1577 N ALA X 92 -7.768 9.421 0.899 1.00 21.32 N ATOM 1578 CA ALA X 92 -8.379 10.619 0.250 1.00 42.04 C ATOM 1579 C ALA X 92 -9.246 10.223 -0.950 1.00 33.21 C ATOM 1580 O ALA X 92 -10.431 10.485 -0.978 1.00 2.23 O ATOM 1581 CB ALA X 92 -7.271 11.549 -0.243 1.00 12.50 C ATOM 0 H ALA X 92 -6.790 9.531 1.166 1.00 21.32 H new ATOM 0 HA ALA X 92 -9.006 11.117 0.990 1.00 42.04 H new ATOM 0 HB1 ALA X 92 -7.715 12.424 -0.717 1.00 12.50 H new ATOM 0 HB2 ALA X 92 -6.659 11.865 0.602 1.00 12.50 H new ATOM 0 HB3 ALA X 92 -6.648 11.022 -0.965 1.00 12.50 H new ATOM 1587 N LEU X 93 -8.659 9.630 -1.956 1.00 71.31 N ATOM 1588 CA LEU X 93 -9.442 9.302 -3.183 1.00 42.45 C ATOM 1589 C LEU X 93 -10.419 8.153 -2.902 1.00 72.44 C ATOM 1590 O LEU X 93 -11.419 8.000 -3.578 1.00 45.13 O ATOM 1591 CB LEU X 93 -8.471 8.976 -4.333 1.00 44.10 C ATOM 1592 CG LEU X 93 -8.317 7.465 -4.565 1.00 31.02 C ATOM 1593 CD1 LEU X 93 -7.995 6.751 -3.254 1.00 54.54 C ATOM 1594 CD2 LEU X 93 -9.605 6.898 -5.163 1.00 74.41 C ATOM 0 H LEU X 93 -7.676 9.360 -1.981 1.00 71.31 H new ATOM 0 HA LEU X 93 -10.043 10.161 -3.483 1.00 42.45 H new ATOM 0 HB2 LEU X 93 -8.828 9.446 -5.249 1.00 44.10 H new ATOM 0 HB3 LEU X 93 -7.495 9.408 -4.113 1.00 44.10 H new ATOM 0 HG LEU X 93 -7.494 7.302 -5.261 1.00 31.02 H new ATOM 0 HD11 LEU X 93 -7.890 5.682 -3.438 1.00 54.54 H new ATOM 0 HD12 LEU X 93 -7.063 7.142 -2.846 1.00 54.54 H new ATOM 0 HD13 LEU X 93 -8.802 6.918 -2.541 1.00 54.54 H new ATOM 0 HD21 LEU X 93 -9.490 5.826 -5.325 1.00 74.41 H new ATOM 0 HD22 LEU X 93 -10.433 7.074 -4.477 1.00 74.41 H new ATOM 0 HD23 LEU X 93 -9.811 7.389 -6.114 1.00 74.41 H new ATOM 1606 N GLN X 94 -10.168 7.372 -1.891 1.00 51.33 N ATOM 1607 CA GLN X 94 -11.098 6.259 -1.560 1.00 23.03 C ATOM 1608 C GLN X 94 -12.473 6.846 -1.219 1.00 40.23 C ATOM 1609 O GLN X 94 -13.483 6.470 -1.786 1.00 53.40 O ATOM 1610 CB GLN X 94 -10.557 5.502 -0.345 1.00 63.41 C ATOM 1611 CG GLN X 94 -9.975 4.164 -0.794 1.00 73.30 C ATOM 1612 CD GLN X 94 -9.427 3.409 0.417 1.00 21.33 C ATOM 1613 OE1 GLN X 94 -8.150 3.474 0.684 1.00 53.33 O flip ATOM 1614 NE2 GLN X 94 -10.165 2.752 1.127 1.00 71.02 N flip ATOM 0 H GLN X 94 -9.357 7.456 -1.278 1.00 51.33 H new ATOM 0 HA GLN X 94 -11.186 5.579 -2.408 1.00 23.03 H new ATOM 0 HB2 GLN X 94 -9.790 6.095 0.154 1.00 63.41 H new ATOM 0 HB3 GLN X 94 -11.355 5.338 0.379 1.00 63.41 H new ATOM 0 HG2 GLN X 94 -10.743 3.570 -1.288 1.00 73.30 H new ATOM 0 HG3 GLN X 94 -9.181 4.328 -1.523 1.00 73.30 H new ATOM 0 HE21 GLN X 94 -11.162 2.702 0.918 1.00 71.02 H new ATOM 0 HE22 GLN X 94 -9.787 2.252 1.931 1.00 71.02 H new ATOM 1623 N LYS X 95 -12.511 7.770 -0.297 1.00 24.23 N ATOM 1624 CA LYS X 95 -13.809 8.390 0.104 1.00 52.15 C ATOM 1625 C LYS X 95 -14.395 9.173 -1.077 1.00 54.22 C ATOM 1626 O LYS X 95 -15.580 9.122 -1.341 1.00 63.00 O ATOM 1627 CB LYS X 95 -13.576 9.355 1.278 1.00 20.40 C ATOM 1628 CG LYS X 95 -13.223 8.573 2.550 1.00 31.14 C ATOM 1629 CD LYS X 95 -13.143 9.546 3.733 1.00 23.44 C ATOM 1630 CE LYS X 95 -13.027 8.764 5.044 1.00 42.12 C ATOM 1631 NZ LYS X 95 -12.954 9.719 6.190 1.00 42.02 N ATOM 0 H LYS X 95 -11.694 8.125 0.199 1.00 24.23 H new ATOM 0 HA LYS X 95 -14.503 7.604 0.403 1.00 52.15 H new ATOM 0 HB2 LYS X 95 -12.770 10.047 1.034 1.00 20.40 H new ATOM 0 HB3 LYS X 95 -14.471 9.954 1.448 1.00 20.40 H new ATOM 0 HG2 LYS X 95 -13.976 7.809 2.742 1.00 31.14 H new ATOM 0 HG3 LYS X 95 -12.271 8.058 2.422 1.00 31.14 H new ATOM 0 HD2 LYS X 95 -12.283 10.205 3.615 1.00 23.44 H new ATOM 0 HD3 LYS X 95 -14.030 10.180 3.755 1.00 23.44 H new ATOM 0 HE2 LYS X 95 -13.885 8.103 5.162 1.00 42.12 H new ATOM 0 HE3 LYS X 95 -12.138 8.133 5.026 1.00 42.12 H new ATOM 0 HZ1 LYS X 95 -12.299 9.349 6.909 1.00 42.02 H new ATOM 0 HZ2 LYS X 95 -12.612 10.641 5.852 1.00 42.02 H new ATOM 0 HZ3 LYS X 95 -13.899 9.832 6.608 1.00 42.02 H new ATOM 1645 N GLN X 96 -13.575 9.904 -1.785 1.00 11.40 N ATOM 1646 CA GLN X 96 -14.082 10.688 -2.948 1.00 62.05 C ATOM 1647 C GLN X 96 -14.588 9.728 -4.030 1.00 13.43 C ATOM 1648 O GLN X 96 -15.572 9.988 -4.694 1.00 11.03 O ATOM 1649 CB GLN X 96 -12.948 11.553 -3.509 1.00 64.24 C ATOM 1650 CG GLN X 96 -12.484 12.554 -2.443 1.00 13.52 C ATOM 1651 CD GLN X 96 -13.616 13.533 -2.123 1.00 51.13 C ATOM 1652 OE1 GLN X 96 -14.170 13.507 -1.042 1.00 64.43 O ATOM 1653 NE2 GLN X 96 -13.984 14.404 -3.023 1.00 43.13 N ATOM 0 H GLN X 96 -12.574 9.992 -1.607 1.00 11.40 H new ATOM 0 HA GLN X 96 -14.902 11.331 -2.628 1.00 62.05 H new ATOM 0 HB2 GLN X 96 -12.114 10.922 -3.816 1.00 64.24 H new ATOM 0 HB3 GLN X 96 -13.289 12.085 -4.397 1.00 64.24 H new ATOM 0 HG2 GLN X 96 -12.183 12.024 -1.539 1.00 13.52 H new ATOM 0 HG3 GLN X 96 -11.609 13.099 -2.799 1.00 13.52 H new ATOM 0 HE21 GLN X 96 -13.519 14.427 -3.931 1.00 43.13 H new ATOM 0 HE22 GLN X 96 -14.736 15.062 -2.818 1.00 43.13 H new ATOM 1662 N TYR X 97 -13.918 8.622 -4.207 1.00 45.25 N ATOM 1663 CA TYR X 97 -14.346 7.630 -5.238 1.00 62.35 C ATOM 1664 C TYR X 97 -15.729 7.077 -4.881 1.00 71.21 C ATOM 1665 O TYR X 97 -16.638 7.078 -5.689 1.00 32.33 O ATOM 1666 CB TYR X 97 -13.331 6.483 -5.276 1.00 1.13 C ATOM 1667 CG TYR X 97 -13.878 5.333 -6.090 1.00 3.32 C ATOM 1668 CD1 TYR X 97 -13.834 5.378 -7.489 1.00 13.24 C ATOM 1669 CD2 TYR X 97 -14.411 4.212 -5.442 1.00 74.04 C ATOM 1670 CE1 TYR X 97 -14.331 4.305 -8.240 1.00 34.51 C ATOM 1671 CE2 TYR X 97 -14.909 3.141 -6.194 1.00 72.10 C ATOM 1672 CZ TYR X 97 -14.865 3.185 -7.592 1.00 72.34 C ATOM 1673 OH TYR X 97 -15.350 2.126 -8.333 1.00 3.11 O ATOM 0 H TYR X 97 -13.086 8.360 -3.678 1.00 45.25 H new ATOM 0 HA TYR X 97 -14.396 8.114 -6.214 1.00 62.35 H new ATOM 0 HB2 TYR X 97 -12.393 6.831 -5.708 1.00 1.13 H new ATOM 0 HB3 TYR X 97 -13.110 6.149 -4.262 1.00 1.13 H new ATOM 0 HD1 TYR X 97 -13.417 6.240 -7.989 1.00 13.24 H new ATOM 0 HD2 TYR X 97 -14.438 4.173 -4.363 1.00 74.04 H new ATOM 0 HE1 TYR X 97 -14.302 4.342 -9.319 1.00 34.51 H new ATOM 0 HE2 TYR X 97 -15.328 2.280 -5.694 1.00 72.10 H new ATOM 0 HH TYR X 97 -15.684 1.430 -7.729 1.00 3.11 H new ATOM 1683 N LEU X 98 -15.894 6.599 -3.675 1.00 51.53 N ATOM 1684 CA LEU X 98 -17.211 6.027 -3.265 1.00 52.20 C ATOM 1685 C LEU X 98 -18.289 7.118 -3.322 1.00 31.31 C ATOM 1686 O LEU X 98 -19.417 6.871 -3.701 1.00 11.44 O ATOM 1687 CB LEU X 98 -17.123 5.495 -1.829 1.00 5.51 C ATOM 1688 CG LEU X 98 -16.275 4.219 -1.770 1.00 12.44 C ATOM 1689 CD1 LEU X 98 -16.104 3.802 -0.308 1.00 73.22 C ATOM 1690 CD2 LEU X 98 -16.970 3.087 -2.533 1.00 2.34 C ATOM 0 H LEU X 98 -15.172 6.580 -2.955 1.00 51.53 H new ATOM 0 HA LEU X 98 -17.469 5.214 -3.944 1.00 52.20 H new ATOM 0 HB2 LEU X 98 -16.688 6.256 -1.181 1.00 5.51 H new ATOM 0 HB3 LEU X 98 -18.124 5.289 -1.451 1.00 5.51 H new ATOM 0 HG LEU X 98 -15.304 4.414 -2.225 1.00 12.44 H new ATOM 0 HD11 LEU X 98 -15.502 2.895 -0.256 1.00 73.22 H new ATOM 0 HD12 LEU X 98 -15.606 4.600 0.242 1.00 73.22 H new ATOM 0 HD13 LEU X 98 -17.083 3.613 0.133 1.00 73.22 H new ATOM 0 HD21 LEU X 98 -16.358 2.186 -2.484 1.00 2.34 H new ATOM 0 HD22 LEU X 98 -17.943 2.890 -2.084 1.00 2.34 H new ATOM 0 HD23 LEU X 98 -17.104 3.379 -3.575 1.00 2.34 H new ATOM 1702 N GLU X 99 -17.950 8.322 -2.933 1.00 14.35 N ATOM 1703 CA GLU X 99 -18.946 9.438 -2.965 1.00 3.22 C ATOM 1704 C GLU X 99 -19.316 9.773 -4.412 1.00 21.54 C ATOM 1705 O GLU X 99 -20.450 10.079 -4.718 1.00 51.21 O ATOM 1706 CB GLU X 99 -18.336 10.682 -2.313 1.00 41.04 C ATOM 1707 CG GLU X 99 -18.580 10.645 -0.800 1.00 60.54 C ATOM 1708 CD GLU X 99 -17.887 9.415 -0.201 1.00 62.22 C ATOM 1709 OE1 GLU X 99 -18.283 8.313 -0.539 1.00 53.14 O ATOM 1710 OE2 GLU X 99 -16.973 9.598 0.588 1.00 11.11 O ATOM 0 H GLU X 99 -17.024 8.581 -2.594 1.00 14.35 H new ATOM 0 HA GLU X 99 -19.840 9.128 -2.424 1.00 3.22 H new ATOM 0 HB2 GLU X 99 -17.266 10.724 -2.518 1.00 41.04 H new ATOM 0 HB3 GLU X 99 -18.778 11.582 -2.740 1.00 41.04 H new ATOM 0 HG2 GLU X 99 -18.196 11.554 -0.337 1.00 60.54 H new ATOM 0 HG3 GLU X 99 -19.650 10.609 -0.594 1.00 60.54 H new ATOM 1717 N GLU X 100 -18.360 9.735 -5.299 1.00 61.42 N ATOM 1718 CA GLU X 100 -18.649 10.073 -6.723 1.00 12.32 C ATOM 1719 C GLU X 100 -19.528 8.992 -7.364 1.00 22.21 C ATOM 1720 O GLU X 100 -20.246 9.249 -8.309 1.00 2.34 O ATOM 1721 CB GLU X 100 -17.327 10.206 -7.484 1.00 31.35 C ATOM 1722 CG GLU X 100 -16.994 8.897 -8.211 1.00 22.13 C ATOM 1723 CD GLU X 100 -17.781 8.818 -9.520 1.00 62.51 C ATOM 1724 OE1 GLU X 100 -17.916 9.843 -10.168 1.00 61.44 O ATOM 1725 OE2 GLU X 100 -18.233 7.736 -9.853 1.00 22.23 O ATOM 0 H GLU X 100 -17.391 9.485 -5.100 1.00 61.42 H new ATOM 0 HA GLU X 100 -19.190 11.018 -6.767 1.00 12.32 H new ATOM 0 HB2 GLU X 100 -17.395 11.022 -8.204 1.00 31.35 H new ATOM 0 HB3 GLU X 100 -16.525 10.458 -6.791 1.00 31.35 H new ATOM 0 HG2 GLU X 100 -15.925 8.845 -8.415 1.00 22.13 H new ATOM 0 HG3 GLU X 100 -17.239 8.045 -7.577 1.00 22.13 H new ATOM 1732 N THR X 101 -19.494 7.793 -6.850 1.00 61.24 N ATOM 1733 CA THR X 101 -20.349 6.715 -7.421 1.00 12.42 C ATOM 1734 C THR X 101 -21.775 6.858 -6.874 1.00 22.32 C ATOM 1735 O THR X 101 -22.742 6.529 -7.535 1.00 34.52 O ATOM 1736 CB THR X 101 -19.787 5.352 -7.026 1.00 52.25 C ATOM 1737 OG1 THR X 101 -19.414 5.381 -5.654 1.00 14.03 O ATOM 1738 CG2 THR X 101 -18.564 5.031 -7.884 1.00 61.11 C ATOM 0 H THR X 101 -18.912 7.514 -6.060 1.00 61.24 H new ATOM 0 HA THR X 101 -20.363 6.798 -8.508 1.00 12.42 H new ATOM 0 HB THR X 101 -20.545 4.585 -7.184 1.00 52.25 H new ATOM 0 HG1 THR X 101 -19.922 6.080 -5.192 1.00 14.03 H new ATOM 0 HG21 THR X 101 -18.165 4.057 -7.599 1.00 61.11 H new ATOM 0 HG22 THR X 101 -18.852 5.012 -8.935 1.00 61.11 H new ATOM 0 HG23 THR X 101 -17.801 5.794 -7.730 1.00 61.11 H new ATOM 1746 N LEU X 102 -21.912 7.358 -5.674 1.00 21.54 N ATOM 1747 CA LEU X 102 -23.273 7.531 -5.082 1.00 51.35 C ATOM 1748 C LEU X 102 -24.017 8.640 -5.837 1.00 34.15 C ATOM 1749 O LEU X 102 -25.227 8.621 -5.953 1.00 25.44 O ATOM 1750 CB LEU X 102 -23.152 7.912 -3.602 1.00 11.21 C ATOM 1751 CG LEU X 102 -22.567 6.736 -2.810 1.00 63.43 C ATOM 1752 CD1 LEU X 102 -22.287 7.174 -1.373 1.00 31.43 C ATOM 1753 CD2 LEU X 102 -23.574 5.581 -2.794 1.00 42.04 C ATOM 0 H LEU X 102 -21.140 7.655 -5.077 1.00 21.54 H new ATOM 0 HA LEU X 102 -23.825 6.595 -5.166 1.00 51.35 H new ATOM 0 HB2 LEU X 102 -22.514 8.789 -3.494 1.00 11.21 H new ATOM 0 HB3 LEU X 102 -24.131 8.179 -3.204 1.00 11.21 H new ATOM 0 HG LEU X 102 -21.639 6.411 -3.281 1.00 63.43 H new ATOM 0 HD11 LEU X 102 -21.871 6.337 -0.812 1.00 31.43 H new ATOM 0 HD12 LEU X 102 -21.574 7.998 -1.376 1.00 31.43 H new ATOM 0 HD13 LEU X 102 -23.216 7.499 -0.904 1.00 31.43 H new ATOM 0 HD21 LEU X 102 -23.159 4.745 -2.231 1.00 42.04 H new ATOM 0 HD22 LEU X 102 -24.500 5.912 -2.323 1.00 42.04 H new ATOM 0 HD23 LEU X 102 -23.780 5.264 -3.816 1.00 42.04 H new ATOM 1765 N GLU X 103 -23.301 9.598 -6.362 1.00 4.00 N ATOM 1766 CA GLU X 103 -23.950 10.720 -7.107 1.00 23.43 C ATOM 1767 C GLU X 103 -24.677 10.170 -8.337 1.00 3.04 C ATOM 1768 O GLU X 103 -25.834 10.462 -8.582 1.00 71.20 O ATOM 1769 CB GLU X 103 -22.872 11.686 -7.592 1.00 51.34 C ATOM 1770 CG GLU X 103 -22.236 12.413 -6.408 1.00 51.21 C ATOM 1771 CD GLU X 103 -21.085 13.279 -6.919 1.00 21.11 C ATOM 1772 OE1 GLU X 103 -20.852 13.277 -8.115 1.00 62.22 O ATOM 1773 OE2 GLU X 103 -20.453 13.928 -6.102 1.00 13.43 O ATOM 0 H GLU X 103 -22.284 9.653 -6.307 1.00 4.00 H new ATOM 0 HA GLU X 103 -24.655 11.225 -6.447 1.00 23.43 H new ATOM 0 HB2 GLU X 103 -22.108 11.140 -8.145 1.00 51.34 H new ATOM 0 HB3 GLU X 103 -23.307 12.410 -8.281 1.00 51.34 H new ATOM 0 HG2 GLU X 103 -22.978 13.032 -5.903 1.00 51.21 H new ATOM 0 HG3 GLU X 103 -21.870 11.693 -5.676 1.00 51.21 H new