USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=11 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 90 ASN :FLIP amide:sc= -2.89! X(o=-5.7,f=-5.5!) USER MOD Set 1.2: X 94 GLN :FLIP amide:sc= -2.56! C(o=-7.2!,f=-5.5!) USER MOD Set 2.1: X 62 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: X 84 GLN : amide:sc= -0.0147 K(o=-0.015,f=-1.6!) USER MOD Single : X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 17 ASN : amide:sc= -0.0566 K(o=-0.057,f=-1.3!) USER MOD Single : X 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 35 ASN : amide:sc= -3.72! C(o=-3.7!,f=-6.8!) 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+ -171:sc=-0.00137 (180deg=-0.111) USER MOD Single : X 46 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : X 47 GLN : amide:sc=-0.00219 K(o=-0.0022,f=-1.6!) USER MOD Single : X 53 ASN : amide:sc= -2.58 K(o=-2.6,f=-5.6!) USER MOD Single : X 59 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.118) USER MOD Single : X 60 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= -2.41 USER MOD Single : X 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 72 HIS : no HD1:sc= -7.36! C(o=-7.4!,f=-19!) USER MOD Single : X 73 ASN : amide:sc= -3.12! C(o=-3.1!,f=-6!) USER MOD Single : X 77 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.2) USER MOD Single : X 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 89 HIS : no HE2:sc= -0.192 K(o=-0.19,f=-6.3!) USER MOD Single : X 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.14) USER MOD Single : X 97 TYR OH : rot 180:sc= -0.0772 USER MOD Single : X 101 THR OG1 : rot 26:sc= -0.0677 USER MOD ----------------------------------------------------------------- ATOM 54 N LYS X 4 -11.600 -11.582 -2.181 1.00 52.15 N ATOM 55 CA LYS X 4 -11.139 -10.555 -3.164 1.00 51.42 C ATOM 56 C LYS X 4 -10.359 -9.447 -2.437 1.00 14.52 C ATOM 57 O LYS X 4 -9.350 -8.968 -2.914 1.00 43.43 O ATOM 58 CB LYS X 4 -12.363 -9.946 -3.862 1.00 63.21 C ATOM 59 CG LYS X 4 -13.028 -10.992 -4.770 1.00 64.34 C ATOM 60 CD LYS X 4 -14.259 -10.384 -5.452 1.00 64.45 C ATOM 61 CE LYS X 4 -14.922 -11.429 -6.361 1.00 62.12 C ATOM 62 NZ LYS X 4 -16.129 -10.835 -7.012 1.00 55.51 N ATOM 0 HA LYS X 4 -10.487 -11.024 -3.901 1.00 51.42 H new ATOM 0 HB2 LYS X 4 -13.077 -9.592 -3.118 1.00 63.21 H new ATOM 0 HB3 LYS X 4 -12.062 -9.080 -4.452 1.00 63.21 H new ATOM 0 HG2 LYS X 4 -12.318 -11.337 -5.522 1.00 64.34 H new ATOM 0 HG3 LYS X 4 -13.320 -11.863 -4.183 1.00 64.34 H new ATOM 0 HD2 LYS X 4 -14.969 -10.040 -4.700 1.00 64.45 H new ATOM 0 HD3 LYS X 4 -13.968 -9.512 -6.038 1.00 64.45 H new ATOM 0 HE2 LYS X 4 -14.216 -11.766 -7.120 1.00 62.12 H new ATOM 0 HE3 LYS X 4 -15.205 -12.305 -5.778 1.00 62.12 H new ATOM 0 HZ1 LYS X 4 -16.576 -11.544 -7.627 1.00 55.51 H new ATOM 0 HZ2 LYS X 4 -16.805 -10.535 -6.281 1.00 55.51 H new ATOM 0 HZ3 LYS X 4 -15.847 -10.012 -7.582 1.00 55.51 H new ATOM 76 N LEU X 5 -10.828 -9.039 -1.287 1.00 23.41 N ATOM 77 CA LEU X 5 -10.128 -7.972 -0.503 1.00 62.04 C ATOM 78 C LEU X 5 -8.726 -8.460 -0.124 1.00 43.34 C ATOM 79 O LEU X 5 -7.773 -7.706 -0.122 1.00 44.02 O ATOM 80 CB LEU X 5 -10.945 -7.698 0.769 1.00 62.32 C ATOM 81 CG LEU X 5 -10.246 -6.670 1.669 1.00 22.32 C ATOM 82 CD1 LEU X 5 -11.300 -5.733 2.271 1.00 51.13 C ATOM 83 CD2 LEU X 5 -9.519 -7.392 2.808 1.00 34.41 C ATOM 0 H LEU X 5 -11.675 -9.402 -0.851 1.00 23.41 H new ATOM 0 HA LEU X 5 -10.038 -7.060 -1.093 1.00 62.04 H new ATOM 0 HB2 LEU X 5 -11.935 -7.332 0.496 1.00 62.32 H new ATOM 0 HB3 LEU X 5 -11.089 -8.628 1.319 1.00 62.32 H new ATOM 0 HG LEU X 5 -9.528 -6.101 1.079 1.00 22.32 H new ATOM 0 HD11 LEU X 5 -10.811 -4.999 2.912 1.00 51.13 H new ATOM 0 HD12 LEU X 5 -11.830 -5.219 1.469 1.00 51.13 H new ATOM 0 HD13 LEU X 5 -12.009 -6.314 2.860 1.00 51.13 H new ATOM 0 HD21 LEU X 5 -9.024 -6.660 3.445 1.00 34.41 H new ATOM 0 HD22 LEU X 5 -10.239 -7.958 3.398 1.00 34.41 H new ATOM 0 HD23 LEU X 5 -8.776 -8.072 2.392 1.00 34.41 H new ATOM 95 N ALA X 6 -8.600 -9.717 0.205 1.00 2.22 N ATOM 96 CA ALA X 6 -7.273 -10.259 0.616 1.00 51.22 C ATOM 97 C ALA X 6 -6.323 -10.295 -0.587 1.00 72.23 C ATOM 98 O ALA X 6 -5.221 -9.782 -0.534 1.00 52.14 O ATOM 99 CB ALA X 6 -7.453 -11.678 1.153 1.00 71.23 C ATOM 0 H ALA X 6 -9.362 -10.395 0.207 1.00 2.22 H new ATOM 0 HA ALA X 6 -6.850 -9.617 1.389 1.00 51.22 H new ATOM 0 HB1 ALA X 6 -6.485 -12.078 1.455 1.00 71.23 H new ATOM 0 HB2 ALA X 6 -8.122 -11.659 2.013 1.00 71.23 H new ATOM 0 HB3 ALA X 6 -7.880 -12.310 0.375 1.00 71.23 H new ATOM 105 N GLU X 7 -6.730 -10.916 -1.661 1.00 41.10 N ATOM 106 CA GLU X 7 -5.841 -11.010 -2.856 1.00 41.35 C ATOM 107 C GLU X 7 -5.366 -9.613 -3.261 1.00 43.42 C ATOM 108 O GLU X 7 -4.239 -9.428 -3.681 1.00 11.00 O ATOM 109 CB GLU X 7 -6.601 -11.649 -4.026 1.00 33.42 C ATOM 110 CG GLU X 7 -6.984 -13.089 -3.674 1.00 64.12 C ATOM 111 CD GLU X 7 -5.717 -13.932 -3.501 1.00 4.53 C ATOM 112 OE1 GLU X 7 -4.686 -13.529 -4.011 1.00 54.31 O ATOM 113 OE2 GLU X 7 -5.800 -14.967 -2.863 1.00 73.02 O ATOM 0 H GLU X 7 -7.641 -11.363 -1.763 1.00 41.10 H new ATOM 0 HA GLU X 7 -4.979 -11.628 -2.606 1.00 41.35 H new ATOM 0 HB2 GLU X 7 -7.497 -11.069 -4.249 1.00 33.42 H new ATOM 0 HB3 GLU X 7 -5.982 -11.637 -4.923 1.00 33.42 H new ATOM 0 HG2 GLU X 7 -7.572 -13.105 -2.756 1.00 64.12 H new ATOM 0 HG3 GLU X 7 -7.609 -13.512 -4.460 1.00 64.12 H new ATOM 120 N ILE X 8 -6.216 -8.631 -3.142 1.00 32.53 N ATOM 121 CA ILE X 8 -5.824 -7.245 -3.530 1.00 75.11 C ATOM 122 C ILE X 8 -4.700 -6.750 -2.612 1.00 54.43 C ATOM 123 O ILE X 8 -3.725 -6.177 -3.061 1.00 24.33 O ATOM 124 CB ILE X 8 -7.037 -6.317 -3.392 1.00 31.11 C ATOM 125 CG1 ILE X 8 -8.069 -6.652 -4.477 1.00 1.40 C ATOM 126 CG2 ILE X 8 -6.582 -4.865 -3.549 1.00 51.31 C ATOM 127 CD1 ILE X 8 -9.409 -5.982 -4.151 1.00 75.31 C ATOM 0 H ILE X 8 -7.169 -8.728 -2.792 1.00 32.53 H new ATOM 0 HA ILE X 8 -5.475 -7.244 -4.563 1.00 75.11 H new ATOM 0 HB ILE X 8 -7.491 -6.454 -2.410 1.00 31.11 H new ATOM 0 HG12 ILE X 8 -7.710 -6.313 -5.449 1.00 1.40 H new ATOM 0 HG13 ILE X 8 -8.200 -7.732 -4.545 1.00 1.40 H new ATOM 0 HG21 ILE X 8 -7.442 -4.202 -3.452 1.00 51.31 H new ATOM 0 HG22 ILE X 8 -5.851 -4.627 -2.776 1.00 51.31 H new ATOM 0 HG23 ILE X 8 -6.129 -4.730 -4.531 1.00 51.31 H new ATOM 0 HD11 ILE X 8 -10.136 -6.225 -4.926 1.00 75.31 H new ATOM 0 HD12 ILE X 8 -9.771 -6.343 -3.188 1.00 75.31 H new ATOM 0 HD13 ILE X 8 -9.274 -4.901 -4.106 1.00 75.31 H new ATOM 139 N ARG X 9 -4.833 -6.972 -1.329 1.00 10.22 N ATOM 140 CA ARG X 9 -3.796 -6.492 -0.362 1.00 52.14 C ATOM 141 C ARG X 9 -2.511 -7.308 -0.563 1.00 22.52 C ATOM 142 O ARG X 9 -1.425 -6.863 -0.243 1.00 14.14 O ATOM 143 CB ARG X 9 -4.326 -6.663 1.081 1.00 14.43 C ATOM 144 CG ARG X 9 -5.518 -5.724 1.336 1.00 41.23 C ATOM 145 CD ARG X 9 -5.793 -5.589 2.855 1.00 21.02 C ATOM 146 NE ARG X 9 -7.050 -4.802 3.055 1.00 23.31 N ATOM 147 CZ ARG X 9 -7.509 -4.698 4.269 1.00 73.25 C ATOM 148 NH1 ARG X 9 -7.233 -5.634 5.126 1.00 14.21 N ATOM 149 NH2 ARG X 9 -8.375 -3.767 4.573 1.00 51.23 N ATOM 0 H ARG X 9 -5.618 -7.467 -0.907 1.00 10.22 H new ATOM 0 HA ARG X 9 -3.579 -5.438 -0.533 1.00 52.14 H new ATOM 0 HB2 ARG X 9 -4.630 -7.697 1.242 1.00 14.43 H new ATOM 0 HB3 ARG X 9 -3.530 -6.450 1.794 1.00 14.43 H new ATOM 0 HG2 ARG X 9 -5.312 -4.742 0.910 1.00 41.23 H new ATOM 0 HG3 ARG X 9 -6.405 -6.109 0.833 1.00 41.23 H new ATOM 0 HD2 ARG X 9 -5.890 -6.575 3.309 1.00 21.02 H new ATOM 0 HD3 ARG X 9 -4.956 -5.093 3.346 1.00 21.02 H new ATOM 0 HE ARG X 9 -7.530 -4.363 2.269 1.00 23.31 H new ATOM 0 HH11 ARG X 9 -6.666 -6.433 4.843 1.00 14.21 H new ATOM 0 HH12 ARG X 9 -7.584 -5.570 6.082 1.00 14.21 H new ATOM 0 HH21 ARG X 9 -8.696 -3.115 3.857 1.00 51.23 H new ATOM 0 HH22 ARG X 9 -8.730 -3.692 5.526 1.00 51.23 H new ATOM 163 N LYS X 10 -2.630 -8.493 -1.106 1.00 74.42 N ATOM 164 CA LYS X 10 -1.421 -9.328 -1.385 1.00 44.25 C ATOM 165 C LYS X 10 -0.610 -8.665 -2.509 1.00 60.44 C ATOM 166 O LYS X 10 0.606 -8.658 -2.487 1.00 43.15 O ATOM 167 CB LYS X 10 -1.873 -10.728 -1.825 1.00 52.12 C ATOM 168 CG LYS X 10 -2.392 -11.525 -0.625 1.00 52.31 C ATOM 169 CD LYS X 10 -2.661 -12.978 -1.036 1.00 63.24 C ATOM 170 CE LYS X 10 -3.216 -13.764 0.157 1.00 55.55 C ATOM 171 NZ LYS X 10 -3.499 -15.171 -0.255 1.00 1.32 N ATOM 0 H LYS X 10 -3.518 -8.921 -1.370 1.00 74.42 H new ATOM 0 HA LYS X 10 -0.803 -9.412 -0.491 1.00 44.25 H new ATOM 0 HB2 LYS X 10 -2.655 -10.644 -2.579 1.00 52.12 H new ATOM 0 HB3 LYS X 10 -1.040 -11.257 -2.288 1.00 52.12 H new ATOM 0 HG2 LYS X 10 -1.662 -11.497 0.184 1.00 52.31 H new ATOM 0 HG3 LYS X 10 -3.307 -11.071 -0.245 1.00 52.31 H new ATOM 0 HD2 LYS X 10 -3.371 -13.006 -1.863 1.00 63.24 H new ATOM 0 HD3 LYS X 10 -1.740 -13.441 -1.391 1.00 63.24 H new ATOM 0 HE2 LYS X 10 -2.499 -13.752 0.978 1.00 55.55 H new ATOM 0 HE3 LYS X 10 -4.128 -13.292 0.524 1.00 55.55 H new ATOM 0 HZ1 LYS X 10 -3.875 -15.701 0.557 1.00 1.32 H new ATOM 0 HZ2 LYS X 10 -4.199 -15.173 -1.025 1.00 1.32 H new ATOM 0 HZ3 LYS X 10 -2.620 -15.620 -0.584 1.00 1.32 H new ATOM 185 N LYS X 11 -1.281 -8.095 -3.483 1.00 31.31 N ATOM 186 CA LYS X 11 -0.557 -7.385 -4.582 1.00 5.35 C ATOM 187 C LYS X 11 0.248 -6.227 -3.979 1.00 41.13 C ATOM 188 O LYS X 11 1.382 -5.987 -4.348 1.00 14.40 O ATOM 189 CB LYS X 11 -1.569 -6.821 -5.597 1.00 45.03 C ATOM 190 CG LYS X 11 -2.526 -7.926 -6.070 1.00 21.24 C ATOM 191 CD LYS X 11 -2.707 -7.832 -7.591 1.00 30.51 C ATOM 192 CE LYS X 11 -3.437 -6.534 -7.952 1.00 11.34 C ATOM 193 NZ LYS X 11 -3.564 -6.422 -9.433 1.00 34.04 N ATOM 0 H LYS X 11 -2.298 -8.092 -3.563 1.00 31.31 H new ATOM 0 HA LYS X 11 0.109 -8.083 -5.089 1.00 5.35 H new ATOM 0 HB2 LYS X 11 -2.137 -6.010 -5.141 1.00 45.03 H new ATOM 0 HB3 LYS X 11 -1.040 -6.399 -6.451 1.00 45.03 H new ATOM 0 HG2 LYS X 11 -2.129 -8.905 -5.800 1.00 21.24 H new ATOM 0 HG3 LYS X 11 -3.490 -7.824 -5.572 1.00 21.24 H new ATOM 0 HD2 LYS X 11 -1.735 -7.862 -8.084 1.00 30.51 H new ATOM 0 HD3 LYS X 11 -3.274 -8.690 -7.952 1.00 30.51 H new ATOM 0 HE2 LYS X 11 -4.425 -6.521 -7.491 1.00 11.34 H new ATOM 0 HE3 LYS X 11 -2.890 -5.677 -7.559 1.00 11.34 H new ATOM 0 HZ1 LYS X 11 -4.060 -5.540 -9.673 1.00 34.04 H new ATOM 0 HZ2 LYS X 11 -2.617 -6.415 -9.863 1.00 34.04 H new ATOM 0 HZ3 LYS X 11 -4.104 -7.233 -9.797 1.00 34.04 H new ATOM 207 N ILE X 12 -0.329 -5.520 -3.041 1.00 43.21 N ATOM 208 CA ILE X 12 0.407 -4.408 -2.371 1.00 73.24 C ATOM 209 C ILE X 12 1.717 -4.958 -1.799 1.00 14.44 C ATOM 210 O ILE X 12 2.737 -4.296 -1.798 1.00 50.33 O ATOM 211 CB ILE X 12 -0.449 -3.840 -1.230 1.00 33.34 C ATOM 212 CG1 ILE X 12 -1.395 -2.760 -1.773 1.00 32.35 C ATOM 213 CG2 ILE X 12 0.465 -3.219 -0.171 1.00 70.11 C ATOM 214 CD1 ILE X 12 -2.156 -3.294 -2.991 1.00 24.34 C ATOM 0 H ILE X 12 -1.282 -5.667 -2.710 1.00 43.21 H new ATOM 0 HA ILE X 12 0.618 -3.617 -3.090 1.00 73.24 H new ATOM 0 HB ILE X 12 -1.036 -4.646 -0.789 1.00 33.34 H new ATOM 0 HG12 ILE X 12 -2.099 -2.458 -0.998 1.00 32.35 H new ATOM 0 HG13 ILE X 12 -0.826 -1.872 -2.050 1.00 32.35 H new ATOM 0 HG21 ILE X 12 -0.140 -2.815 0.640 1.00 70.11 H new ATOM 0 HG22 ILE X 12 1.137 -3.982 0.223 1.00 70.11 H new ATOM 0 HG23 ILE X 12 1.051 -2.417 -0.621 1.00 70.11 H new ATOM 0 HD11 ILE X 12 -2.825 -2.521 -3.370 1.00 24.34 H new ATOM 0 HD12 ILE X 12 -1.446 -3.573 -3.770 1.00 24.34 H new ATOM 0 HD13 ILE X 12 -2.739 -4.168 -2.701 1.00 24.34 H new ATOM 226 N ASP X 13 1.691 -6.173 -1.318 1.00 63.41 N ATOM 227 CA ASP X 13 2.925 -6.792 -0.751 1.00 21.14 C ATOM 228 C ASP X 13 4.019 -6.810 -1.824 1.00 62.13 C ATOM 229 O ASP X 13 5.162 -6.487 -1.565 1.00 30.12 O ATOM 230 CB ASP X 13 2.608 -8.227 -0.318 1.00 60.11 C ATOM 231 CG ASP X 13 3.727 -8.763 0.576 1.00 41.41 C ATOM 232 OD1 ASP X 13 3.923 -8.204 1.641 1.00 24.30 O ATOM 233 OD2 ASP X 13 4.372 -9.717 0.178 1.00 21.15 O ATOM 0 H ASP X 13 0.862 -6.767 -1.294 1.00 63.41 H new ATOM 0 HA ASP X 13 3.270 -6.217 0.108 1.00 21.14 H new ATOM 0 HB2 ASP X 13 1.659 -8.253 0.218 1.00 60.11 H new ATOM 0 HB3 ASP X 13 2.496 -8.864 -1.195 1.00 60.11 H new ATOM 238 N GLU X 14 3.672 -7.182 -3.030 1.00 22.41 N ATOM 239 CA GLU X 14 4.675 -7.193 -4.134 1.00 31.43 C ATOM 240 C GLU X 14 5.145 -5.759 -4.403 1.00 42.01 C ATOM 241 O GLU X 14 6.218 -5.533 -4.929 1.00 74.03 O ATOM 242 CB GLU X 14 4.032 -7.761 -5.406 1.00 74.51 C ATOM 243 CG GLU X 14 3.710 -9.247 -5.215 1.00 71.42 C ATOM 244 CD GLU X 14 3.054 -9.796 -6.484 1.00 4.10 C ATOM 245 OE1 GLU X 14 3.703 -9.790 -7.515 1.00 40.13 O ATOM 246 OE2 GLU X 14 1.910 -10.212 -6.404 1.00 4.10 O ATOM 0 H GLU X 14 2.734 -7.479 -3.297 1.00 22.41 H new ATOM 0 HA GLU X 14 5.525 -7.813 -3.848 1.00 31.43 H new ATOM 0 HB2 GLU X 14 3.121 -7.210 -5.639 1.00 74.51 H new ATOM 0 HB3 GLU X 14 4.707 -7.633 -6.252 1.00 74.51 H new ATOM 0 HG2 GLU X 14 4.622 -9.802 -4.995 1.00 71.42 H new ATOM 0 HG3 GLU X 14 3.044 -9.379 -4.363 1.00 71.42 H new ATOM 253 N ILE X 15 4.347 -4.786 -4.039 1.00 42.15 N ATOM 254 CA ILE X 15 4.741 -3.362 -4.264 1.00 70.32 C ATOM 255 C ILE X 15 5.429 -2.825 -3.005 1.00 52.54 C ATOM 256 O ILE X 15 6.392 -2.086 -3.075 1.00 64.24 O ATOM 257 CB ILE X 15 3.492 -2.521 -4.543 1.00 11.41 C ATOM 258 CG1 ILE X 15 2.893 -2.886 -5.909 1.00 53.34 C ATOM 259 CG2 ILE X 15 3.879 -1.039 -4.540 1.00 32.34 C ATOM 260 CD1 ILE X 15 1.374 -3.029 -5.798 1.00 64.11 C ATOM 0 H ILE X 15 3.438 -4.917 -3.595 1.00 42.15 H new ATOM 0 HA ILE X 15 5.420 -3.305 -5.115 1.00 70.32 H new ATOM 0 HB ILE X 15 2.749 -2.719 -3.770 1.00 11.41 H new ATOM 0 HG12 ILE X 15 3.141 -2.117 -6.640 1.00 53.34 H new ATOM 0 HG13 ILE X 15 3.328 -3.819 -6.268 1.00 53.34 H new ATOM 0 HG21 ILE X 15 2.996 -0.432 -4.738 1.00 32.34 H new ATOM 0 HG22 ILE X 15 4.292 -0.773 -3.567 1.00 32.34 H new ATOM 0 HG23 ILE X 15 4.625 -0.856 -5.313 1.00 32.34 H new ATOM 0 HD11 ILE X 15 0.961 -3.288 -6.773 1.00 64.11 H new ATOM 0 HD12 ILE X 15 1.134 -3.815 -5.082 1.00 64.11 H new ATOM 0 HD13 ILE X 15 0.944 -2.086 -5.460 1.00 64.11 H new ATOM 272 N ASP X 16 4.933 -3.192 -1.852 1.00 1.41 N ATOM 273 CA ASP X 16 5.538 -2.708 -0.574 1.00 14.24 C ATOM 274 C ASP X 16 7.036 -3.033 -0.551 1.00 21.12 C ATOM 275 O ASP X 16 7.865 -2.168 -0.351 1.00 55.21 O ATOM 276 CB ASP X 16 4.842 -3.408 0.599 1.00 11.34 C ATOM 277 CG ASP X 16 5.132 -2.663 1.903 1.00 20.42 C ATOM 278 OD1 ASP X 16 4.555 -1.606 2.097 1.00 52.11 O ATOM 279 OD2 ASP X 16 5.928 -3.156 2.683 1.00 21.51 O ATOM 0 H ASP X 16 4.130 -3.810 -1.740 1.00 1.41 H new ATOM 0 HA ASP X 16 5.409 -1.629 -0.492 1.00 14.24 H new ATOM 0 HB2 ASP X 16 3.767 -3.446 0.424 1.00 11.34 H new ATOM 0 HB3 ASP X 16 5.189 -4.439 0.675 1.00 11.34 H new ATOM 284 N ASN X 17 7.390 -4.276 -0.747 1.00 11.55 N ATOM 285 CA ASN X 17 8.833 -4.659 -0.772 1.00 31.14 C ATOM 286 C ASN X 17 9.543 -3.964 -1.943 1.00 52.35 C ATOM 287 O ASN X 17 10.706 -3.617 -1.858 1.00 32.13 O ATOM 288 CB ASN X 17 8.951 -6.174 -0.943 1.00 44.11 C ATOM 289 CG ASN X 17 10.387 -6.598 -0.651 1.00 61.33 C ATOM 290 OD1 ASN X 17 11.027 -6.054 0.226 1.00 45.44 O ATOM 291 ND2 ASN X 17 10.931 -7.543 -1.361 1.00 64.33 N ATOM 0 H ASN X 17 6.738 -5.047 -0.892 1.00 11.55 H new ATOM 0 HA ASN X 17 9.299 -4.352 0.164 1.00 31.14 H new ATOM 0 HB2 ASN X 17 8.264 -6.683 -0.268 1.00 44.11 H new ATOM 0 HB3 ASN X 17 8.673 -6.461 -1.957 1.00 44.11 H new ATOM 0 HD21 ASN X 17 11.894 -7.826 -1.181 1.00 64.33 H new ATOM 0 HD22 ASN X 17 10.394 -8.001 -2.098 1.00 64.33 H new ATOM 298 N LYS X 18 8.853 -3.771 -3.031 1.00 1.21 N ATOM 299 CA LYS X 18 9.482 -3.132 -4.227 1.00 54.12 C ATOM 300 C LYS X 18 9.946 -1.711 -3.877 1.00 65.11 C ATOM 301 O LYS X 18 11.028 -1.296 -4.249 1.00 30.41 O ATOM 302 CB LYS X 18 8.445 -3.080 -5.358 1.00 42.22 C ATOM 303 CG LYS X 18 9.079 -2.540 -6.650 1.00 44.32 C ATOM 304 CD LYS X 18 8.016 -2.493 -7.760 1.00 51.33 C ATOM 305 CE LYS X 18 8.640 -1.984 -9.065 1.00 41.30 C ATOM 306 NZ LYS X 18 7.614 -1.989 -10.151 1.00 22.15 N ATOM 0 H LYS X 18 7.873 -4.029 -3.147 1.00 1.21 H new ATOM 0 HA LYS X 18 10.348 -3.712 -4.545 1.00 54.12 H new ATOM 0 HB2 LYS X 18 8.041 -4.077 -5.534 1.00 42.22 H new ATOM 0 HB3 LYS X 18 7.610 -2.445 -5.064 1.00 42.22 H new ATOM 0 HG2 LYS X 18 9.487 -1.544 -6.479 1.00 44.32 H new ATOM 0 HG3 LYS X 18 9.910 -3.176 -6.954 1.00 44.32 H new ATOM 0 HD2 LYS X 18 7.594 -3.486 -7.913 1.00 51.33 H new ATOM 0 HD3 LYS X 18 7.195 -1.841 -7.461 1.00 51.33 H new ATOM 0 HE2 LYS X 18 9.029 -0.976 -8.924 1.00 41.30 H new ATOM 0 HE3 LYS X 18 9.484 -2.615 -9.346 1.00 41.30 H new ATOM 0 HZ1 LYS X 18 8.041 -1.643 -11.034 1.00 22.15 H new ATOM 0 HZ2 LYS X 18 7.263 -2.958 -10.292 1.00 22.15 H new ATOM 0 HZ3 LYS X 18 6.823 -1.370 -9.884 1.00 22.15 H new ATOM 320 N ILE X 19 9.140 -0.960 -3.175 1.00 64.10 N ATOM 321 CA ILE X 19 9.532 0.438 -2.827 1.00 23.24 C ATOM 322 C ILE X 19 10.648 0.422 -1.776 1.00 73.11 C ATOM 323 O ILE X 19 11.448 1.334 -1.698 1.00 40.50 O ATOM 324 CB ILE X 19 8.315 1.190 -2.282 1.00 73.31 C ATOM 325 CG1 ILE X 19 8.748 2.587 -1.812 1.00 71.33 C ATOM 326 CG2 ILE X 19 7.695 0.406 -1.121 1.00 73.03 C ATOM 327 CD1 ILE X 19 8.971 2.601 -0.296 1.00 44.32 C ATOM 0 H ILE X 19 8.227 -1.254 -2.827 1.00 64.10 H new ATOM 0 HA ILE X 19 9.897 0.942 -3.722 1.00 23.24 H new ATOM 0 HB ILE X 19 7.568 1.294 -3.069 1.00 73.31 H new ATOM 0 HG12 ILE X 19 9.665 2.880 -2.323 1.00 71.33 H new ATOM 0 HG13 ILE X 19 7.986 3.319 -2.080 1.00 71.33 H new ATOM 0 HG21 ILE X 19 6.830 0.947 -0.738 1.00 73.03 H new ATOM 0 HG22 ILE X 19 7.382 -0.577 -1.472 1.00 73.03 H new ATOM 0 HG23 ILE X 19 8.431 0.290 -0.326 1.00 73.03 H new ATOM 0 HD11 ILE X 19 9.277 3.599 0.018 1.00 44.32 H new ATOM 0 HD12 ILE X 19 8.045 2.330 0.211 1.00 44.32 H new ATOM 0 HD13 ILE X 19 9.750 1.884 -0.036 1.00 44.32 H new ATOM 339 N LEU X 20 10.713 -0.607 -0.976 1.00 24.32 N ATOM 340 CA LEU X 20 11.782 -0.683 0.062 1.00 24.32 C ATOM 341 C LEU X 20 13.101 -1.087 -0.612 1.00 3.21 C ATOM 342 O LEU X 20 14.170 -0.903 -0.067 1.00 52.12 O ATOM 343 CB LEU X 20 11.411 -1.745 1.106 1.00 61.32 C ATOM 344 CG LEU X 20 10.283 -1.249 2.021 1.00 52.11 C ATOM 345 CD1 LEU X 20 9.888 -2.376 2.978 1.00 42.33 C ATOM 346 CD2 LEU X 20 10.757 -0.043 2.840 1.00 1.53 C ATOM 0 H LEU X 20 10.071 -1.400 -0.996 1.00 24.32 H new ATOM 0 HA LEU X 20 11.888 0.286 0.549 1.00 24.32 H new ATOM 0 HB2 LEU X 20 11.100 -2.661 0.603 1.00 61.32 H new ATOM 0 HB3 LEU X 20 12.287 -1.992 1.705 1.00 61.32 H new ATOM 0 HG LEU X 20 9.430 -0.953 1.410 1.00 52.11 H new ATOM 0 HD11 LEU X 20 9.087 -2.033 3.633 1.00 42.33 H new ATOM 0 HD12 LEU X 20 9.545 -3.237 2.404 1.00 42.33 H new ATOM 0 HD13 LEU X 20 10.751 -2.662 3.580 1.00 42.33 H new ATOM 0 HD21 LEU X 20 9.948 0.299 3.485 1.00 1.53 H new ATOM 0 HD22 LEU X 20 11.611 -0.332 3.452 1.00 1.53 H new ATOM 0 HD23 LEU X 20 11.049 0.762 2.166 1.00 1.53 H new ATOM 561 N ALA X 32 1.052 4.720 -8.995 1.00 11.53 N ATOM 562 CA ALA X 32 -0.295 4.618 -9.628 1.00 65.33 C ATOM 563 C ALA X 32 -0.955 3.289 -9.237 1.00 53.52 C ATOM 564 O ALA X 32 -2.126 3.241 -8.916 1.00 50.42 O ATOM 565 CB ALA X 32 -0.144 4.680 -11.149 1.00 32.50 C ATOM 0 HA ALA X 32 -0.918 5.444 -9.284 1.00 65.33 H new ATOM 0 HB1 ALA X 32 -1.126 4.606 -11.615 1.00 32.50 H new ATOM 0 HB2 ALA X 32 0.321 5.625 -11.430 1.00 32.50 H new ATOM 0 HB3 ALA X 32 0.481 3.853 -11.487 1.00 32.50 H new ATOM 571 N GLU X 33 -0.212 2.212 -9.266 1.00 12.14 N ATOM 572 CA GLU X 33 -0.795 0.884 -8.905 1.00 34.15 C ATOM 573 C GLU X 33 -1.379 0.948 -7.493 1.00 20.35 C ATOM 574 O GLU X 33 -2.437 0.415 -7.219 1.00 1.03 O ATOM 575 CB GLU X 33 0.311 -0.184 -8.946 1.00 61.15 C ATOM 576 CG GLU X 33 -0.312 -1.580 -9.072 1.00 23.50 C ATOM 577 CD GLU X 33 -0.953 -1.735 -10.454 1.00 42.02 C ATOM 578 OE1 GLU X 33 -0.790 -0.840 -11.265 1.00 2.42 O ATOM 579 OE2 GLU X 33 -1.600 -2.745 -10.678 1.00 62.24 O ATOM 0 H GLU X 33 0.775 2.195 -9.524 1.00 12.14 H new ATOM 0 HA GLU X 33 -1.582 0.629 -9.614 1.00 34.15 H new ATOM 0 HB2 GLU X 33 0.978 0.003 -9.788 1.00 61.15 H new ATOM 0 HB3 GLU X 33 0.916 -0.127 -8.041 1.00 61.15 H new ATOM 0 HG2 GLU X 33 0.452 -2.344 -8.927 1.00 23.50 H new ATOM 0 HG3 GLU X 33 -1.061 -1.726 -8.294 1.00 23.50 H new ATOM 586 N ARG X 34 -0.692 1.603 -6.593 1.00 72.02 N ATOM 587 CA ARG X 34 -1.204 1.732 -5.199 1.00 40.04 C ATOM 588 C ARG X 34 -2.569 2.426 -5.230 1.00 13.35 C ATOM 589 O ARG X 34 -3.496 2.029 -4.553 1.00 44.33 O ATOM 590 CB ARG X 34 -0.218 2.560 -4.371 1.00 64.13 C ATOM 591 CG ARG X 34 -0.826 2.836 -2.968 1.00 70.43 C ATOM 592 CD ARG X 34 -1.030 1.504 -2.183 1.00 31.35 C ATOM 593 NE ARG X 34 -0.674 1.718 -0.763 1.00 20.42 N ATOM 594 CZ ARG X 34 -0.940 0.698 0.080 1.00 54.30 C ATOM 595 NH1 ARG X 34 -1.555 -0.272 -0.432 1.00 52.41 N ATOM 596 NH2 ARG X 34 -0.597 0.656 1.363 1.00 45.20 N ATOM 0 H ARG X 34 0.206 2.056 -6.766 1.00 72.02 H new ATOM 0 HA ARG X 34 -1.309 0.745 -4.748 1.00 40.04 H new ATOM 0 HB2 ARG X 34 0.727 2.027 -4.271 1.00 64.13 H new ATOM 0 HB3 ARG X 34 -0.002 3.501 -4.877 1.00 64.13 H new ATOM 0 HG2 ARG X 34 -0.168 3.498 -2.405 1.00 70.43 H new ATOM 0 HG3 ARG X 34 -1.781 3.351 -3.075 1.00 70.43 H new ATOM 0 HD2 ARG X 34 -2.066 1.174 -2.265 1.00 31.35 H new ATOM 0 HD3 ARG X 34 -0.410 0.717 -2.611 1.00 31.35 H new ATOM 0 HE ARG X 34 -0.251 2.588 -0.439 1.00 20.42 H new ATOM 0 HH11 ARG X 34 -1.815 -0.248 -1.418 1.00 52.41 H new ATOM 0 HH12 ARG X 34 -1.794 -1.083 0.139 1.00 52.41 H new ATOM 0 HH21 ARG X 34 -0.092 1.437 1.782 1.00 45.20 H new ATOM 0 HH22 ARG X 34 -0.839 -0.157 1.929 1.00 45.20 H new ATOM 610 N ASN X 35 -2.703 3.465 -6.006 1.00 61.23 N ATOM 611 CA ASN X 35 -4.015 4.165 -6.078 1.00 0.11 C ATOM 612 C ASN X 35 -5.086 3.209 -6.588 1.00 14.32 C ATOM 613 O ASN X 35 -6.195 3.188 -6.088 1.00 55.04 O ATOM 614 CB ASN X 35 -3.889 5.350 -6.994 1.00 42.43 C ATOM 615 CG ASN X 35 -5.244 6.032 -7.110 1.00 15.21 C ATOM 616 OD1 ASN X 35 -6.249 5.383 -7.270 1.00 72.22 O ATOM 617 ND2 ASN X 35 -5.314 7.331 -7.018 1.00 2.04 N ATOM 0 H ASN X 35 -1.965 3.858 -6.590 1.00 61.23 H new ATOM 0 HA ASN X 35 -4.306 4.508 -5.085 1.00 0.11 H new ATOM 0 HB2 ASN X 35 -3.148 6.049 -6.606 1.00 42.43 H new ATOM 0 HB3 ASN X 35 -3.543 5.031 -7.977 1.00 42.43 H new ATOM 0 HD21 ASN X 35 -6.218 7.799 -7.081 1.00 2.04 H new ATOM 0 HD22 ASN X 35 -4.465 7.879 -6.883 1.00 2.04 H new ATOM 624 N SER X 36 -4.767 2.423 -7.577 1.00 55.10 N ATOM 625 CA SER X 36 -5.763 1.456 -8.122 1.00 1.15 C ATOM 626 C SER X 36 -6.379 0.648 -6.978 1.00 53.53 C ATOM 627 O SER X 36 -7.405 1.006 -6.435 1.00 51.50 O ATOM 628 CB SER X 36 -5.059 0.506 -9.089 1.00 73.03 C ATOM 629 OG SER X 36 -4.862 1.164 -10.335 1.00 70.44 O ATOM 0 H SER X 36 -3.855 2.408 -8.034 1.00 55.10 H new ATOM 0 HA SER X 36 -6.551 2.000 -8.643 1.00 1.15 H new ATOM 0 HB2 SER X 36 -4.101 0.192 -8.675 1.00 73.03 H new ATOM 0 HB3 SER X 36 -5.656 -0.395 -9.231 1.00 73.03 H new ATOM 0 HG SER X 36 -4.409 0.557 -10.957 1.00 70.44 H new ATOM 635 N LEU X 37 -5.756 -0.442 -6.612 1.00 22.01 N ATOM 636 CA LEU X 37 -6.289 -1.273 -5.494 1.00 1.22 C ATOM 637 C LEU X 37 -7.033 -0.368 -4.501 1.00 10.02 C ATOM 638 O LEU X 37 -8.006 -0.765 -3.889 1.00 14.53 O ATOM 639 CB LEU X 37 -5.131 -1.956 -4.748 1.00 40.04 C ATOM 640 CG LEU X 37 -4.303 -2.871 -5.671 1.00 2.42 C ATOM 641 CD1 LEU X 37 -5.199 -3.574 -6.691 1.00 53.04 C ATOM 642 CD2 LEU X 37 -3.236 -2.052 -6.407 1.00 2.43 C ATOM 0 H LEU X 37 -4.899 -0.792 -7.041 1.00 22.01 H new ATOM 0 HA LEU X 37 -6.961 -2.027 -5.904 1.00 1.22 H new ATOM 0 HB2 LEU X 37 -4.481 -1.195 -4.315 1.00 40.04 H new ATOM 0 HB3 LEU X 37 -5.530 -2.543 -3.921 1.00 40.04 H new ATOM 0 HG LEU X 37 -3.820 -3.626 -5.051 1.00 2.42 H new ATOM 0 HD11 LEU X 37 -4.590 -4.214 -7.330 1.00 53.04 H new ATOM 0 HD12 LEU X 37 -5.938 -4.181 -6.169 1.00 53.04 H new ATOM 0 HD13 LEU X 37 -5.708 -2.829 -7.303 1.00 53.04 H new ATOM 0 HD21 LEU X 37 -2.657 -2.709 -7.056 1.00 2.43 H new ATOM 0 HD22 LEU X 37 -3.719 -1.282 -7.008 1.00 2.43 H new ATOM 0 HD23 LEU X 37 -2.572 -1.583 -5.681 1.00 2.43 H new ATOM 654 N ALA X 38 -6.562 0.839 -4.324 1.00 52.33 N ATOM 655 CA ALA X 38 -7.199 1.769 -3.340 1.00 55.24 C ATOM 656 C ALA X 38 -8.693 1.914 -3.646 1.00 43.21 C ATOM 657 O ALA X 38 -9.532 1.763 -2.778 1.00 2.41 O ATOM 658 CB ALA X 38 -6.522 3.140 -3.430 1.00 2.34 C ATOM 0 H ALA X 38 -5.759 1.224 -4.821 1.00 52.33 H new ATOM 0 HA ALA X 38 -7.081 1.365 -2.335 1.00 55.24 H new ATOM 0 HB1 ALA X 38 -6.983 3.821 -2.715 1.00 2.34 H new ATOM 0 HB2 ALA X 38 -5.461 3.038 -3.202 1.00 2.34 H new ATOM 0 HB3 ALA X 38 -6.639 3.538 -4.438 1.00 2.34 H new ATOM 664 N LYS X 39 -9.027 2.214 -4.870 1.00 51.35 N ATOM 665 CA LYS X 39 -10.459 2.417 -5.243 1.00 14.11 C ATOM 666 C LYS X 39 -11.172 1.062 -5.288 1.00 15.30 C ATOM 667 O LYS X 39 -12.283 0.916 -4.816 1.00 51.01 O ATOM 668 CB LYS X 39 -10.516 3.072 -6.629 1.00 14.03 C ATOM 669 CG LYS X 39 -10.019 2.100 -7.708 1.00 21.04 C ATOM 670 CD LYS X 39 -11.210 1.366 -8.339 1.00 32.12 C ATOM 671 CE LYS X 39 -11.706 2.143 -9.566 1.00 71.54 C ATOM 672 NZ LYS X 39 -10.939 1.720 -10.776 1.00 22.11 N ATOM 0 H LYS X 39 -8.364 2.329 -5.637 1.00 51.35 H new ATOM 0 HA LYS X 39 -10.950 3.055 -4.508 1.00 14.11 H new ATOM 0 HB2 LYS X 39 -11.538 3.378 -6.851 1.00 14.03 H new ATOM 0 HB3 LYS X 39 -9.905 3.975 -6.636 1.00 14.03 H new ATOM 0 HG2 LYS X 39 -9.469 2.645 -8.475 1.00 21.04 H new ATOM 0 HG3 LYS X 39 -9.327 1.380 -7.270 1.00 21.04 H new ATOM 0 HD2 LYS X 39 -10.915 0.358 -8.630 1.00 32.12 H new ATOM 0 HD3 LYS X 39 -12.015 1.265 -7.611 1.00 32.12 H new ATOM 0 HE2 LYS X 39 -12.770 1.962 -9.717 1.00 71.54 H new ATOM 0 HE3 LYS X 39 -11.585 3.214 -9.403 1.00 71.54 H new ATOM 0 HZ1 LYS X 39 -11.278 2.249 -11.605 1.00 22.11 H new ATOM 0 HZ2 LYS X 39 -9.928 1.915 -10.631 1.00 22.11 H new ATOM 0 HZ3 LYS X 39 -11.076 0.702 -10.935 1.00 22.11 H new ATOM 686 N ASP X 40 -10.538 0.072 -5.859 1.00 34.42 N ATOM 687 CA ASP X 40 -11.168 -1.277 -5.946 1.00 32.52 C ATOM 688 C ASP X 40 -11.473 -1.798 -4.537 1.00 14.00 C ATOM 689 O ASP X 40 -12.507 -2.391 -4.293 1.00 34.33 O ATOM 690 CB ASP X 40 -10.206 -2.246 -6.642 1.00 53.03 C ATOM 691 CG ASP X 40 -10.357 -2.133 -8.161 1.00 55.24 C ATOM 692 OD1 ASP X 40 -11.464 -1.891 -8.607 1.00 2.04 O ATOM 693 OD2 ASP X 40 -9.365 -2.291 -8.853 1.00 35.04 O ATOM 0 H ASP X 40 -9.607 0.141 -6.270 1.00 34.42 H new ATOM 0 HA ASP X 40 -12.094 -1.203 -6.516 1.00 32.52 H new ATOM 0 HB2 ASP X 40 -9.179 -2.022 -6.353 1.00 53.03 H new ATOM 0 HB3 ASP X 40 -10.412 -3.268 -6.323 1.00 53.03 H new ATOM 698 N VAL X 41 -10.575 -1.585 -3.611 1.00 65.22 N ATOM 699 CA VAL X 41 -10.817 -2.035 -2.210 1.00 12.21 C ATOM 700 C VAL X 41 -12.007 -1.273 -1.624 1.00 5.34 C ATOM 701 O VAL X 41 -12.855 -1.836 -0.961 1.00 13.04 O ATOM 702 CB VAL X 41 -9.573 -1.746 -1.363 1.00 0.52 C ATOM 703 CG1 VAL X 41 -9.894 -1.981 0.114 1.00 52.23 C ATOM 704 CG2 VAL X 41 -8.429 -2.669 -1.788 1.00 21.13 C ATOM 0 H VAL X 41 -9.682 -1.117 -3.766 1.00 65.22 H new ATOM 0 HA VAL X 41 -11.029 -3.104 -2.206 1.00 12.21 H new ATOM 0 HB VAL X 41 -9.272 -0.709 -1.511 1.00 0.52 H new ATOM 0 HG11 VAL X 41 -9.009 -1.775 0.716 1.00 52.23 H new ATOM 0 HG12 VAL X 41 -10.703 -1.318 0.420 1.00 52.23 H new ATOM 0 HG13 VAL X 41 -10.199 -3.017 0.260 1.00 52.23 H new ATOM 0 HG21 VAL X 41 -7.548 -2.459 -1.182 1.00 21.13 H new ATOM 0 HG22 VAL X 41 -8.728 -3.708 -1.646 1.00 21.13 H new ATOM 0 HG23 VAL X 41 -8.196 -2.499 -2.839 1.00 21.13 H new ATOM 714 N ALA X 42 -12.076 0.009 -1.869 1.00 4.32 N ATOM 715 CA ALA X 42 -13.218 0.813 -1.351 1.00 54.02 C ATOM 716 C ALA X 42 -14.533 0.138 -1.750 1.00 54.21 C ATOM 717 O ALA X 42 -15.467 0.067 -0.976 1.00 22.44 O ATOM 718 CB ALA X 42 -13.152 2.220 -1.954 1.00 4.44 C ATOM 0 H ALA X 42 -11.387 0.534 -2.408 1.00 4.32 H new ATOM 0 HA ALA X 42 -13.165 0.881 -0.264 1.00 54.02 H new ATOM 0 HB1 ALA X 42 -13.985 2.816 -1.580 1.00 4.44 H new ATOM 0 HB2 ALA X 42 -12.212 2.693 -1.671 1.00 4.44 H new ATOM 0 HB3 ALA X 42 -13.213 2.154 -3.040 1.00 4.44 H new ATOM 724 N GLU X 43 -14.603 -0.373 -2.951 1.00 64.53 N ATOM 725 CA GLU X 43 -15.846 -1.060 -3.408 1.00 1.42 C ATOM 726 C GLU X 43 -16.186 -2.194 -2.432 1.00 44.31 C ATOM 727 O GLU X 43 -17.198 -2.166 -1.759 1.00 32.33 O ATOM 728 CB GLU X 43 -15.609 -1.652 -4.801 1.00 2.31 C ATOM 729 CG GLU X 43 -16.413 -0.878 -5.851 1.00 34.32 C ATOM 730 CD GLU X 43 -17.905 -1.187 -5.685 1.00 53.12 C ATOM 731 OE1 GLU X 43 -18.222 -2.088 -4.927 1.00 10.31 O ATOM 732 OE2 GLU X 43 -18.703 -0.520 -6.319 1.00 2.21 O ATOM 0 H GLU X 43 -13.849 -0.344 -3.638 1.00 64.53 H new ATOM 0 HA GLU X 43 -16.669 -0.346 -3.444 1.00 1.42 H new ATOM 0 HB2 GLU X 43 -14.547 -1.613 -5.044 1.00 2.31 H new ATOM 0 HB3 GLU X 43 -15.900 -2.702 -4.812 1.00 2.31 H new ATOM 0 HG2 GLU X 43 -16.238 0.192 -5.741 1.00 34.32 H new ATOM 0 HG3 GLU X 43 -16.083 -1.154 -6.853 1.00 34.32 H new ATOM 739 N ILE X 44 -15.342 -3.192 -2.353 1.00 4.10 N ATOM 740 CA ILE X 44 -15.600 -4.326 -1.415 1.00 0.14 C ATOM 741 C ILE X 44 -15.939 -3.769 -0.025 1.00 12.34 C ATOM 742 O ILE X 44 -16.773 -4.302 0.682 1.00 74.11 O ATOM 743 CB ILE X 44 -14.346 -5.204 -1.308 1.00 71.42 C ATOM 744 CG1 ILE X 44 -13.822 -5.566 -2.709 1.00 72.02 C ATOM 745 CG2 ILE X 44 -14.683 -6.482 -0.538 1.00 51.55 C ATOM 746 CD1 ILE X 44 -14.937 -6.171 -3.568 1.00 60.31 C ATOM 0 H ILE X 44 -14.484 -3.270 -2.899 1.00 4.10 H new ATOM 0 HA ILE X 44 -16.432 -4.921 -1.791 1.00 0.14 H new ATOM 0 HB ILE X 44 -13.571 -4.650 -0.778 1.00 71.42 H new ATOM 0 HG12 ILE X 44 -13.425 -4.675 -3.195 1.00 72.02 H new ATOM 0 HG13 ILE X 44 -12.999 -6.275 -2.622 1.00 72.02 H new ATOM 0 HG21 ILE X 44 -13.793 -7.106 -0.462 1.00 51.55 H new ATOM 0 HG22 ILE X 44 -15.032 -6.223 0.462 1.00 51.55 H new ATOM 0 HG23 ILE X 44 -15.465 -7.029 -1.065 1.00 51.55 H new ATOM 0 HD11 ILE X 44 -14.543 -6.419 -4.554 1.00 60.31 H new ATOM 0 HD12 ILE X 44 -15.315 -7.075 -3.090 1.00 60.31 H new ATOM 0 HD13 ILE X 44 -15.748 -5.450 -3.672 1.00 60.31 H new ATOM 758 N LYS X 45 -15.302 -2.694 0.368 1.00 1.40 N ATOM 759 CA LYS X 45 -15.566 -2.113 1.719 1.00 21.12 C ATOM 760 C LYS X 45 -17.034 -1.681 1.792 1.00 34.31 C ATOM 761 O LYS X 45 -17.725 -1.938 2.760 1.00 34.40 O ATOM 762 CB LYS X 45 -14.665 -0.888 1.935 1.00 33.24 C ATOM 763 CG LYS X 45 -13.189 -1.308 2.009 1.00 10.51 C ATOM 764 CD LYS X 45 -12.568 -0.799 3.313 1.00 23.05 C ATOM 765 CE LYS X 45 -11.046 -0.989 3.277 1.00 51.11 C ATOM 766 NZ LYS X 45 -10.399 0.195 2.643 1.00 55.14 N ATOM 0 H LYS X 45 -14.610 -2.194 -0.190 1.00 1.40 H new ATOM 0 HA LYS X 45 -15.356 -2.856 2.489 1.00 21.12 H new ATOM 0 HB2 LYS X 45 -14.806 -0.178 1.120 1.00 33.24 H new ATOM 0 HB3 LYS X 45 -14.950 -0.378 2.855 1.00 33.24 H new ATOM 0 HG2 LYS X 45 -13.108 -2.394 1.957 1.00 10.51 H new ATOM 0 HG3 LYS X 45 -12.644 -0.906 1.155 1.00 10.51 H new ATOM 0 HD2 LYS X 45 -12.808 0.255 3.453 1.00 23.05 H new ATOM 0 HD3 LYS X 45 -12.990 -1.338 4.161 1.00 23.05 H new ATOM 0 HE2 LYS X 45 -10.664 -1.124 4.289 1.00 51.11 H new ATOM 0 HE3 LYS X 45 -10.797 -1.892 2.719 1.00 51.11 H new ATOM 0 HZ1 LYS X 45 -9.391 -0.004 2.484 1.00 55.14 H new ATOM 0 HZ2 LYS X 45 -10.860 0.397 1.733 1.00 55.14 H new ATOM 0 HZ3 LYS X 45 -10.494 1.020 3.270 1.00 55.14 H new ATOM 780 N ASN X 46 -17.514 -1.037 0.762 1.00 43.54 N ATOM 781 CA ASN X 46 -18.938 -0.594 0.739 1.00 12.52 C ATOM 782 C ASN X 46 -19.843 -1.828 0.796 1.00 21.15 C ATOM 783 O ASN X 46 -20.873 -1.828 1.442 1.00 23.45 O ATOM 784 CB ASN X 46 -19.194 0.180 -0.557 1.00 15.12 C ATOM 785 CG ASN X 46 -20.649 0.638 -0.615 1.00 62.51 C ATOM 786 OD1 ASN X 46 -21.155 1.220 0.325 1.00 15.43 O ATOM 787 ND2 ASN X 46 -21.346 0.408 -1.694 1.00 0.30 N ATOM 0 H ASN X 46 -16.976 -0.797 -0.071 1.00 43.54 H new ATOM 0 HA ASN X 46 -19.150 0.049 1.593 1.00 12.52 H new ATOM 0 HB2 ASN X 46 -18.530 1.043 -0.612 1.00 15.12 H new ATOM 0 HB3 ASN X 46 -18.968 -0.450 -1.417 1.00 15.12 H new ATOM 0 HD21 ASN X 46 -22.317 0.717 -1.750 1.00 0.30 H new ATOM 0 HD22 ASN X 46 -20.920 -0.080 -2.482 1.00 0.30 H new ATOM 794 N GLN X 47 -19.450 -2.888 0.137 1.00 12.45 N ATOM 795 CA GLN X 47 -20.273 -4.132 0.153 1.00 32.30 C ATOM 796 C GLN X 47 -20.058 -4.837 1.503 1.00 53.32 C ATOM 797 O GLN X 47 -20.803 -5.724 1.872 1.00 11.43 O ATOM 798 CB GLN X 47 -19.839 -5.046 -1.005 1.00 4.42 C ATOM 799 CG GLN X 47 -19.095 -6.268 -0.455 1.00 51.23 C ATOM 800 CD GLN X 47 -18.535 -7.106 -1.609 1.00 11.44 C ATOM 801 OE1 GLN X 47 -18.612 -6.711 -2.757 1.00 32.55 O ATOM 802 NE2 GLN X 47 -17.955 -8.243 -1.352 1.00 52.11 N ATOM 0 H GLN X 47 -18.592 -2.944 -0.412 1.00 12.45 H new ATOM 0 HA GLN X 47 -21.330 -3.895 0.029 1.00 32.30 H new ATOM 0 HB2 GLN X 47 -20.712 -5.367 -1.574 1.00 4.42 H new ATOM 0 HB3 GLN X 47 -19.195 -4.496 -1.692 1.00 4.42 H new ATOM 0 HG2 GLN X 47 -18.284 -5.946 0.198 1.00 51.23 H new ATOM 0 HG3 GLN X 47 -19.770 -6.873 0.150 1.00 51.23 H new ATOM 0 HE21 GLN X 47 -17.889 -8.576 -0.390 1.00 52.11 H new ATOM 0 HE22 GLN X 47 -17.566 -8.801 -2.113 1.00 52.11 H new ATOM 811 N LEU X 48 -19.059 -4.432 2.255 1.00 23.41 N ATOM 812 CA LEU X 48 -18.821 -5.061 3.594 1.00 23.21 C ATOM 813 C LEU X 48 -19.539 -4.225 4.664 1.00 23.21 C ATOM 814 O LEU X 48 -19.553 -4.566 5.830 1.00 42.10 O ATOM 815 CB LEU X 48 -17.317 -5.080 3.908 1.00 54.43 C ATOM 816 CG LEU X 48 -16.606 -6.174 3.100 1.00 21.10 C ATOM 817 CD1 LEU X 48 -15.099 -5.918 3.138 1.00 62.21 C ATOM 818 CD2 LEU X 48 -16.893 -7.548 3.718 1.00 63.20 C ATOM 0 H LEU X 48 -18.401 -3.696 2.000 1.00 23.41 H new ATOM 0 HA LEU X 48 -19.200 -6.083 3.586 1.00 23.21 H new ATOM 0 HB2 LEU X 48 -16.880 -4.109 3.677 1.00 54.43 H new ATOM 0 HB3 LEU X 48 -17.165 -5.252 4.974 1.00 54.43 H new ATOM 0 HG LEU X 48 -16.967 -6.157 2.072 1.00 21.10 H new ATOM 0 HD11 LEU X 48 -14.584 -6.690 2.566 1.00 62.21 H new ATOM 0 HD12 LEU X 48 -14.885 -4.942 2.704 1.00 62.21 H new ATOM 0 HD13 LEU X 48 -14.752 -5.939 4.171 1.00 62.21 H new ATOM 0 HD21 LEU X 48 -16.386 -8.320 3.140 1.00 63.20 H new ATOM 0 HD22 LEU X 48 -16.531 -7.567 4.746 1.00 63.20 H new ATOM 0 HD23 LEU X 48 -17.967 -7.734 3.708 1.00 63.20 H new ATOM 830 N GLY X 49 -20.141 -3.132 4.268 1.00 31.51 N ATOM 831 CA GLY X 49 -20.882 -2.276 5.243 1.00 52.23 C ATOM 832 C GLY X 49 -19.955 -1.833 6.381 1.00 24.13 C ATOM 833 O GLY X 49 -20.239 -2.053 7.542 1.00 73.55 O ATOM 0 H GLY X 49 -20.151 -2.794 3.306 1.00 31.51 H new ATOM 0 HA2 GLY X 49 -21.286 -1.401 4.734 1.00 52.23 H new ATOM 0 HA3 GLY X 49 -21.729 -2.828 5.650 1.00 52.23 H new ATOM 837 N ILE X 50 -18.855 -1.198 6.067 1.00 13.34 N ATOM 838 CA ILE X 50 -17.941 -0.723 7.149 1.00 11.33 C ATOM 839 C ILE X 50 -17.233 0.558 6.709 1.00 31.52 C ATOM 840 O ILE X 50 -17.121 0.843 5.537 1.00 24.14 O ATOM 841 CB ILE X 50 -16.886 -1.786 7.465 1.00 63.42 C ATOM 842 CG1 ILE X 50 -16.476 -2.538 6.191 1.00 11.22 C ATOM 843 CG2 ILE X 50 -17.466 -2.777 8.471 1.00 32.03 C ATOM 844 CD1 ILE X 50 -15.758 -1.592 5.225 1.00 5.54 C ATOM 0 H ILE X 50 -18.552 -0.989 5.116 1.00 13.34 H new ATOM 0 HA ILE X 50 -18.539 -0.530 8.040 1.00 11.33 H new ATOM 0 HB ILE X 50 -16.004 -1.297 7.880 1.00 63.42 H new ATOM 0 HG12 ILE X 50 -15.823 -3.372 6.447 1.00 11.22 H new ATOM 0 HG13 ILE X 50 -17.358 -2.960 5.710 1.00 11.22 H new ATOM 0 HG21 ILE X 50 -16.721 -3.539 8.702 1.00 32.03 H new ATOM 0 HG22 ILE X 50 -17.741 -2.249 9.384 1.00 32.03 H new ATOM 0 HG23 ILE X 50 -18.350 -3.252 8.046 1.00 32.03 H new ATOM 0 HD11 ILE X 50 -15.473 -2.138 4.326 1.00 5.54 H new ATOM 0 HD12 ILE X 50 -16.424 -0.772 4.956 1.00 5.54 H new ATOM 0 HD13 ILE X 50 -14.865 -1.191 5.705 1.00 5.54 H new ATOM 856 N PRO X 51 -16.751 1.319 7.654 1.00 60.05 N ATOM 857 CA PRO X 51 -16.030 2.599 7.381 1.00 1.24 C ATOM 858 C PRO X 51 -14.850 2.427 6.414 1.00 42.22 C ATOM 859 O PRO X 51 -14.105 1.468 6.482 1.00 64.40 O ATOM 860 CB PRO X 51 -15.535 3.032 8.764 1.00 10.33 C ATOM 861 CG PRO X 51 -16.502 2.417 9.714 1.00 22.02 C ATOM 862 CD PRO X 51 -16.853 1.054 9.120 1.00 33.50 C ATOM 0 HA PRO X 51 -16.678 3.329 6.896 1.00 1.24 H new ATOM 0 HB2 PRO X 51 -14.519 2.683 8.950 1.00 10.33 H new ATOM 0 HB3 PRO X 51 -15.521 4.118 8.859 1.00 10.33 H new ATOM 0 HG2 PRO X 51 -16.063 2.311 10.706 1.00 22.02 H new ATOM 0 HG3 PRO X 51 -17.392 3.037 9.824 1.00 22.02 H new ATOM 0 HD2 PRO X 51 -16.160 0.277 9.443 1.00 33.50 H new ATOM 0 HD3 PRO X 51 -17.853 0.729 9.407 1.00 33.50 H new ATOM 870 N ILE X 52 -14.679 3.366 5.522 1.00 14.31 N ATOM 871 CA ILE X 52 -13.557 3.293 4.541 1.00 61.11 C ATOM 872 C ILE X 52 -12.231 3.411 5.290 1.00 41.22 C ATOM 873 O ILE X 52 -11.294 2.680 5.037 1.00 73.41 O ATOM 874 CB ILE X 52 -13.682 4.454 3.548 1.00 73.23 C ATOM 875 CG1 ILE X 52 -15.069 4.420 2.894 1.00 14.14 C ATOM 876 CG2 ILE X 52 -12.599 4.321 2.475 1.00 4.13 C ATOM 877 CD1 ILE X 52 -15.288 5.685 2.056 1.00 11.52 C ATOM 0 H ILE X 52 -15.275 4.189 5.430 1.00 14.31 H new ATOM 0 HA ILE X 52 -13.594 2.345 4.005 1.00 61.11 H new ATOM 0 HB ILE X 52 -13.556 5.401 4.072 1.00 73.23 H new ATOM 0 HG12 ILE X 52 -15.160 3.536 2.263 1.00 14.14 H new ATOM 0 HG13 ILE X 52 -15.840 4.345 3.661 1.00 14.14 H new ATOM 0 HG21 ILE X 52 -12.685 5.145 1.767 1.00 4.13 H new ATOM 0 HG22 ILE X 52 -11.616 4.348 2.945 1.00 4.13 H new ATOM 0 HG23 ILE X 52 -12.724 3.375 1.948 1.00 4.13 H new ATOM 0 HD11 ILE X 52 -16.276 5.650 1.596 1.00 11.52 H new ATOM 0 HD12 ILE X 52 -15.217 6.563 2.698 1.00 11.52 H new ATOM 0 HD13 ILE X 52 -14.527 5.742 1.277 1.00 11.52 H new ATOM 889 N ASN X 53 -12.147 4.325 6.216 1.00 60.42 N ATOM 890 CA ASN X 53 -10.880 4.480 6.985 1.00 61.31 C ATOM 891 C ASN X 53 -10.637 3.261 7.858 1.00 11.44 C ATOM 892 O ASN X 53 -11.508 2.819 8.578 1.00 10.11 O ATOM 893 CB ASN X 53 -10.957 5.685 7.888 1.00 61.45 C ATOM 894 CG ASN X 53 -9.586 5.909 8.495 1.00 61.14 C ATOM 895 OD1 ASN X 53 -8.631 6.096 7.777 1.00 45.05 O ATOM 896 ND2 ASN X 53 -9.437 5.883 9.781 1.00 51.40 N ATOM 0 H ASN X 53 -12.896 4.968 6.473 1.00 60.42 H new ATOM 0 HA ASN X 53 -10.069 4.597 6.266 1.00 61.31 H new ATOM 0 HB2 ASN X 53 -11.271 6.563 7.324 1.00 61.45 H new ATOM 0 HB3 ASN X 53 -11.698 5.527 8.671 1.00 61.45 H new ATOM 0 HD21 ASN X 53 -8.513 6.020 10.190 1.00 51.40 H new ATOM 0 HD22 ASN X 53 -10.244 5.725 10.385 1.00 51.40 H new ATOM 903 N ASP X 54 -9.466 2.695 7.771 1.00 24.32 N ATOM 904 CA ASP X 54 -9.153 1.473 8.568 1.00 12.14 C ATOM 905 C ASP X 54 -7.698 1.519 9.048 1.00 12.35 C ATOM 906 O ASP X 54 -6.828 0.889 8.480 1.00 43.33 O ATOM 907 CB ASP X 54 -9.375 0.231 7.702 1.00 21.32 C ATOM 908 CG ASP X 54 -9.492 -1.000 8.600 1.00 1.13 C ATOM 909 OD1 ASP X 54 -10.386 -1.023 9.429 1.00 5.43 O ATOM 910 OD2 ASP X 54 -8.687 -1.903 8.445 1.00 32.35 O ATOM 0 H ASP X 54 -8.706 3.028 7.178 1.00 24.32 H new ATOM 0 HA ASP X 54 -9.810 1.432 9.437 1.00 12.14 H new ATOM 0 HB2 ASP X 54 -10.280 0.347 7.106 1.00 21.32 H new ATOM 0 HB3 ASP X 54 -8.547 0.108 7.004 1.00 21.32 H new ATOM 915 N PRO X 55 -7.443 2.246 10.105 1.00 21.03 N ATOM 916 CA PRO X 55 -6.078 2.368 10.698 1.00 21.34 C ATOM 917 C PRO X 55 -5.510 0.992 11.055 1.00 33.41 C ATOM 918 O PRO X 55 -4.518 0.553 10.504 1.00 61.14 O ATOM 919 CB PRO X 55 -6.305 3.192 11.967 1.00 62.42 C ATOM 920 CG PRO X 55 -7.571 3.932 11.708 1.00 42.13 C ATOM 921 CD PRO X 55 -8.421 3.005 10.844 1.00 2.25 C ATOM 0 HA PRO X 55 -5.365 2.824 10.011 1.00 21.34 H new ATOM 0 HB2 PRO X 55 -6.391 2.553 12.846 1.00 62.42 H new ATOM 0 HB3 PRO X 55 -5.476 3.875 12.150 1.00 62.42 H new ATOM 0 HG2 PRO X 55 -8.081 4.175 12.641 1.00 42.13 H new ATOM 0 HG3 PRO X 55 -7.376 4.875 11.197 1.00 42.13 H new ATOM 0 HD2 PRO X 55 -9.055 2.359 11.451 1.00 2.25 H new ATOM 0 HD3 PRO X 55 -9.079 3.566 10.181 1.00 2.25 H new ATOM 929 N GLU X 56 -6.142 0.313 11.976 1.00 63.51 N ATOM 930 CA GLU X 56 -5.687 -1.055 12.352 1.00 3.53 C ATOM 931 C GLU X 56 -4.923 -1.660 11.172 1.00 54.40 C ATOM 932 O GLU X 56 -3.746 -1.956 11.262 1.00 23.54 O ATOM 933 CB GLU X 56 -6.907 -1.930 12.679 1.00 51.32 C ATOM 934 CG GLU X 56 -8.159 -1.373 11.990 1.00 74.14 C ATOM 935 CD GLU X 56 -9.335 -2.332 12.188 1.00 65.41 C ATOM 936 OE1 GLU X 56 -9.094 -3.526 12.247 1.00 33.24 O ATOM 937 OE2 GLU X 56 -10.453 -1.858 12.280 1.00 42.24 O ATOM 0 H GLU X 56 -6.958 0.651 12.486 1.00 63.51 H new ATOM 0 HA GLU X 56 -5.039 -1.005 13.227 1.00 3.53 H new ATOM 0 HB2 GLU X 56 -6.728 -2.954 12.351 1.00 51.32 H new ATOM 0 HB3 GLU X 56 -7.061 -1.963 13.758 1.00 51.32 H new ATOM 0 HG2 GLU X 56 -8.405 -0.393 12.400 1.00 74.14 H new ATOM 0 HG3 GLU X 56 -7.967 -1.234 10.926 1.00 74.14 H new ATOM 944 N ARG X 57 -5.589 -1.830 10.061 1.00 42.50 N ATOM 945 CA ARG X 57 -4.928 -2.401 8.855 1.00 23.52 C ATOM 946 C ARG X 57 -3.659 -1.591 8.555 1.00 42.32 C ATOM 947 O ARG X 57 -2.599 -2.138 8.319 1.00 23.12 O ATOM 948 CB ARG X 57 -5.909 -2.317 7.669 1.00 61.41 C ATOM 949 CG ARG X 57 -5.143 -2.485 6.334 1.00 31.52 C ATOM 950 CD ARG X 57 -4.371 -3.843 6.293 1.00 25.44 C ATOM 951 NE ARG X 57 -3.700 -4.004 4.961 1.00 35.13 N ATOM 952 CZ ARG X 57 -2.854 -4.968 4.809 1.00 34.15 C ATOM 953 NH1 ARG X 57 -2.213 -5.401 5.853 1.00 23.23 N ATOM 954 NH2 ARG X 57 -2.447 -5.302 3.595 1.00 33.11 N ATOM 0 H ARG X 57 -6.574 -1.594 9.938 1.00 42.50 H new ATOM 0 HA ARG X 57 -4.654 -3.443 9.022 1.00 23.52 H new ATOM 0 HB2 ARG X 57 -6.670 -3.092 7.761 1.00 61.41 H new ATOM 0 HB3 ARG X 57 -6.427 -1.358 7.682 1.00 61.41 H new ATOM 0 HG2 ARG X 57 -5.844 -2.437 5.501 1.00 31.52 H new ATOM 0 HG3 ARG X 57 -4.441 -1.661 6.208 1.00 31.52 H new ATOM 0 HD2 ARG X 57 -3.629 -3.875 7.091 1.00 25.44 H new ATOM 0 HD3 ARG X 57 -5.060 -4.669 6.466 1.00 25.44 H new ATOM 0 HE ARG X 57 -3.907 -3.366 4.192 1.00 35.13 H new ATOM 0 HH11 ARG X 57 -2.383 -4.981 6.767 1.00 23.23 H new ATOM 0 HH12 ARG X 57 -1.540 -6.161 5.759 1.00 23.23 H new ATOM 0 HH21 ARG X 57 -2.801 -4.798 2.782 1.00 33.11 H new ATOM 0 HH22 ARG X 57 -1.779 -6.063 3.472 1.00 33.11 H new ATOM 968 N GLU X 58 -3.768 -0.287 8.576 1.00 10.34 N ATOM 969 CA GLU X 58 -2.582 0.580 8.310 1.00 43.15 C ATOM 970 C GLU X 58 -1.553 0.376 9.429 1.00 1.52 C ATOM 971 O GLU X 58 -0.360 0.351 9.193 1.00 40.32 O ATOM 972 CB GLU X 58 -3.038 2.048 8.272 1.00 11.53 C ATOM 973 CG GLU X 58 -4.061 2.262 7.152 1.00 4.04 C ATOM 974 CD GLU X 58 -4.562 3.709 7.187 1.00 53.24 C ATOM 975 OE1 GLU X 58 -4.050 4.473 7.987 1.00 11.33 O ATOM 976 OE2 GLU X 58 -5.448 4.026 6.413 1.00 11.11 O ATOM 0 H GLU X 58 -4.634 0.217 8.767 1.00 10.34 H new ATOM 0 HA GLU X 58 -2.127 0.319 7.354 1.00 43.15 H new ATOM 0 HB2 GLU X 58 -3.477 2.324 9.231 1.00 11.53 H new ATOM 0 HB3 GLU X 58 -2.177 2.699 8.116 1.00 11.53 H new ATOM 0 HG2 GLU X 58 -3.607 2.046 6.185 1.00 4.04 H new ATOM 0 HG3 GLU X 58 -4.897 1.573 7.272 1.00 4.04 H new ATOM 983 N LYS X 59 -2.011 0.215 10.645 1.00 31.41 N ATOM 984 CA LYS X 59 -1.070 -0.023 11.779 1.00 23.11 C ATOM 985 C LYS X 59 -0.333 -1.349 11.545 1.00 32.34 C ATOM 986 O LYS X 59 0.855 -1.460 11.776 1.00 74.50 O ATOM 987 CB LYS X 59 -1.858 -0.110 13.094 1.00 70.02 C ATOM 988 CG LYS X 59 -2.520 1.237 13.413 1.00 55.05 C ATOM 989 CD LYS X 59 -1.489 2.188 14.031 1.00 62.22 C ATOM 990 CE LYS X 59 -2.159 3.523 14.376 1.00 50.01 C ATOM 991 NZ LYS X 59 -3.034 3.350 15.572 1.00 3.40 N ATOM 0 H LYS X 59 -2.998 0.238 10.901 1.00 31.41 H new ATOM 0 HA LYS X 59 -0.355 0.797 11.839 1.00 23.11 H new ATOM 0 HB2 LYS X 59 -2.619 -0.887 13.018 1.00 70.02 H new ATOM 0 HB3 LYS X 59 -1.190 -0.396 13.907 1.00 70.02 H new ATOM 0 HG2 LYS X 59 -2.933 1.674 12.504 1.00 55.05 H new ATOM 0 HG3 LYS X 59 -3.352 1.090 14.102 1.00 55.05 H new ATOM 0 HD2 LYS X 59 -1.061 1.742 14.929 1.00 62.22 H new ATOM 0 HD3 LYS X 59 -0.667 2.352 13.334 1.00 62.22 H new ATOM 0 HE2 LYS X 59 -1.401 4.281 14.574 1.00 50.01 H new ATOM 0 HE3 LYS X 59 -2.749 3.875 13.529 1.00 50.01 H new ATOM 0 HZ1 LYS X 59 -3.312 4.283 15.937 1.00 3.40 H new ATOM 0 HZ2 LYS X 59 -3.885 2.816 15.305 1.00 3.40 H new ATOM 0 HZ3 LYS X 59 -2.516 2.830 16.309 1.00 3.40 H new ATOM 1005 N TYR X 60 -1.036 -2.351 11.085 1.00 42.01 N ATOM 1006 CA TYR X 60 -0.396 -3.672 10.799 1.00 51.15 C ATOM 1007 C TYR X 60 0.751 -3.473 9.802 1.00 2.02 C ATOM 1008 O TYR X 60 1.797 -4.081 9.916 1.00 64.33 O ATOM 1009 CB TYR X 60 -1.459 -4.612 10.208 1.00 13.51 C ATOM 1010 CG TYR X 60 -0.847 -5.928 9.775 1.00 65.44 C ATOM 1011 CD1 TYR X 60 -0.129 -6.009 8.572 1.00 34.21 C ATOM 1012 CD2 TYR X 60 -0.972 -7.061 10.589 1.00 14.42 C ATOM 1013 CE1 TYR X 60 0.457 -7.222 8.185 1.00 73.12 C ATOM 1014 CE2 TYR X 60 -0.383 -8.272 10.202 1.00 20.13 C ATOM 1015 CZ TYR X 60 0.330 -8.353 9.000 1.00 21.11 C ATOM 1016 OH TYR X 60 0.913 -9.547 8.621 1.00 20.33 O ATOM 0 H TYR X 60 -2.037 -2.311 10.893 1.00 42.01 H new ATOM 0 HA TYR X 60 0.006 -4.107 11.714 1.00 51.15 H new ATOM 0 HB2 TYR X 60 -2.237 -4.796 10.948 1.00 13.51 H new ATOM 0 HB3 TYR X 60 -1.938 -4.132 9.354 1.00 13.51 H new ATOM 0 HD1 TYR X 60 -0.028 -5.136 7.944 1.00 34.21 H new ATOM 0 HD2 TYR X 60 -1.523 -7.001 11.516 1.00 14.42 H new ATOM 0 HE1 TYR X 60 1.007 -7.284 7.258 1.00 73.12 H new ATOM 0 HE2 TYR X 60 -0.479 -9.144 10.832 1.00 20.13 H new ATOM 0 HH TYR X 60 0.730 -10.230 9.299 1.00 20.33 H new ATOM 1026 N ILE X 61 0.565 -2.617 8.832 1.00 15.44 N ATOM 1027 CA ILE X 61 1.642 -2.369 7.831 1.00 42.41 C ATOM 1028 C ILE X 61 2.874 -1.799 8.548 1.00 21.11 C ATOM 1029 O ILE X 61 3.995 -2.187 8.282 1.00 23.35 O ATOM 1030 CB ILE X 61 1.154 -1.347 6.801 1.00 73.44 C ATOM 1031 CG1 ILE X 61 0.244 -2.025 5.765 1.00 2.41 C ATOM 1032 CG2 ILE X 61 2.359 -0.712 6.103 1.00 0.51 C ATOM 1033 CD1 ILE X 61 1.077 -2.699 4.671 1.00 15.23 C ATOM 0 H ILE X 61 -0.289 -2.078 8.690 1.00 15.44 H new ATOM 0 HA ILE X 61 1.898 -3.304 7.332 1.00 42.41 H new ATOM 0 HB ILE X 61 0.581 -0.573 7.311 1.00 73.44 H new ATOM 0 HG12 ILE X 61 -0.387 -2.766 6.257 1.00 2.41 H new ATOM 0 HG13 ILE X 61 -0.421 -1.286 5.319 1.00 2.41 H new ATOM 0 HG21 ILE X 61 2.013 0.016 5.369 1.00 0.51 H new ATOM 0 HG22 ILE X 61 2.986 -0.213 6.842 1.00 0.51 H new ATOM 0 HG23 ILE X 61 2.938 -1.487 5.600 1.00 0.51 H new ATOM 0 HD11 ILE X 61 0.413 -3.173 3.948 1.00 15.23 H new ATOM 0 HD12 ILE X 61 1.688 -1.951 4.166 1.00 15.23 H new ATOM 0 HD13 ILE X 61 1.723 -3.454 5.119 1.00 15.23 H new ATOM 1045 N TYR X 62 2.667 -0.877 9.454 1.00 12.33 N ATOM 1046 CA TYR X 62 3.813 -0.265 10.190 1.00 32.53 C ATOM 1047 C TYR X 62 4.723 -1.377 10.725 1.00 31.32 C ATOM 1048 O TYR X 62 5.932 -1.314 10.616 1.00 63.12 O ATOM 1049 CB TYR X 62 3.282 0.551 11.376 1.00 13.11 C ATOM 1050 CG TYR X 62 2.941 1.966 10.953 1.00 61.33 C ATOM 1051 CD1 TYR X 62 2.131 2.178 9.828 1.00 44.50 C ATOM 1052 CD2 TYR X 62 3.441 3.062 11.668 1.00 75.34 C ATOM 1053 CE1 TYR X 62 1.828 3.480 9.415 1.00 2.24 C ATOM 1054 CE2 TYR X 62 3.134 4.368 11.255 1.00 22.40 C ATOM 1055 CZ TYR X 62 2.325 4.575 10.130 1.00 0.03 C ATOM 1056 OH TYR X 62 2.028 5.860 9.719 1.00 34.21 O ATOM 0 H TYR X 62 1.748 -0.521 9.716 1.00 12.33 H new ATOM 0 HA TYR X 62 4.372 0.383 9.515 1.00 32.53 H new ATOM 0 HB2 TYR X 62 2.396 0.067 11.787 1.00 13.11 H new ATOM 0 HB3 TYR X 62 4.029 0.575 12.169 1.00 13.11 H new ATOM 0 HD1 TYR X 62 1.740 1.334 9.279 1.00 44.50 H new ATOM 0 HD2 TYR X 62 4.062 2.902 12.537 1.00 75.34 H new ATOM 0 HE1 TYR X 62 1.210 3.640 8.544 1.00 2.24 H new ATOM 0 HE2 TYR X 62 3.521 5.213 11.804 1.00 22.40 H new ATOM 0 HH TYR X 62 2.450 6.503 10.326 1.00 34.21 H new ATOM 1066 N ASP X 63 4.142 -2.391 11.310 1.00 1.25 N ATOM 1067 CA ASP X 63 4.948 -3.541 11.820 1.00 21.15 C ATOM 1068 C ASP X 63 5.523 -4.341 10.639 1.00 72.11 C ATOM 1069 O ASP X 63 6.581 -4.930 10.740 1.00 13.14 O ATOM 1070 CB ASP X 63 4.044 -4.454 12.654 1.00 3.44 C ATOM 1071 CG ASP X 63 4.894 -5.395 13.511 1.00 15.21 C ATOM 1072 OD1 ASP X 63 5.660 -4.896 14.319 1.00 24.11 O ATOM 1073 OD2 ASP X 63 4.764 -6.595 13.349 1.00 33.55 O ATOM 0 H ASP X 63 3.136 -2.473 11.458 1.00 1.25 H new ATOM 0 HA ASP X 63 5.768 -3.165 12.432 1.00 21.15 H new ATOM 0 HB2 ASP X 63 3.397 -3.853 13.293 1.00 3.44 H new ATOM 0 HB3 ASP X 63 3.395 -5.034 11.998 1.00 3.44 H new ATOM 1078 N ARG X 64 4.829 -4.373 9.529 1.00 42.41 N ATOM 1079 CA ARG X 64 5.329 -5.133 8.334 1.00 71.21 C ATOM 1080 C ARG X 64 6.556 -4.419 7.750 1.00 62.30 C ATOM 1081 O ARG X 64 7.550 -5.039 7.430 1.00 72.05 O ATOM 1082 CB ARG X 64 4.223 -5.192 7.267 1.00 20.55 C ATOM 1083 CG ARG X 64 4.661 -6.060 6.071 1.00 10.10 C ATOM 1084 CD ARG X 64 3.826 -5.748 4.824 1.00 10.04 C ATOM 1085 NE ARG X 64 2.377 -6.120 4.989 1.00 70.41 N ATOM 1086 CZ ARG X 64 2.110 -7.401 4.906 1.00 4.21 C ATOM 1087 NH1 ARG X 64 3.125 -8.208 4.861 1.00 44.51 N ATOM 1088 NH2 ARG X 64 0.895 -7.865 4.957 1.00 22.00 N ATOM 0 H ARG X 64 3.933 -3.904 9.395 1.00 42.41 H new ATOM 0 HA ARG X 64 5.603 -6.144 8.636 1.00 71.21 H new ATOM 0 HB2 ARG X 64 3.312 -5.600 7.704 1.00 20.55 H new ATOM 0 HB3 ARG X 64 3.988 -4.184 6.924 1.00 20.55 H new ATOM 0 HG2 ARG X 64 5.716 -5.885 5.859 1.00 10.10 H new ATOM 0 HG3 ARG X 64 4.558 -7.115 6.327 1.00 10.10 H new ATOM 0 HD2 ARG X 64 3.901 -4.684 4.598 1.00 10.04 H new ATOM 0 HD3 ARG X 64 4.240 -6.285 3.970 1.00 10.04 H new ATOM 0 HE ARG X 64 1.651 -5.422 5.154 1.00 70.41 H new ATOM 0 HH11 ARG X 64 4.074 -7.836 4.891 1.00 44.51 H new ATOM 0 HH12 ARG X 64 2.974 -9.215 4.796 1.00 44.51 H new ATOM 0 HH21 ARG X 64 0.109 -7.224 5.065 1.00 22.00 H new ATOM 0 HH22 ARG X 64 0.729 -8.869 4.889 1.00 22.00 H new ATOM 1102 N ILE X 65 6.487 -3.120 7.609 1.00 3.24 N ATOM 1103 CA ILE X 65 7.639 -2.363 7.032 1.00 11.14 C ATOM 1104 C ILE X 65 8.874 -2.543 7.929 1.00 50.21 C ATOM 1105 O ILE X 65 9.977 -2.719 7.449 1.00 52.03 O ATOM 1106 CB ILE X 65 7.293 -0.870 6.960 1.00 24.12 C ATOM 1107 CG1 ILE X 65 5.993 -0.657 6.167 1.00 43.33 C ATOM 1108 CG2 ILE X 65 8.440 -0.112 6.287 1.00 0.41 C ATOM 1109 CD1 ILE X 65 6.087 -1.313 4.785 1.00 75.14 C ATOM 0 H ILE X 65 5.682 -2.550 7.869 1.00 3.24 H new ATOM 0 HA ILE X 65 7.848 -2.742 6.032 1.00 11.14 H new ATOM 0 HB ILE X 65 7.149 -0.492 7.972 1.00 24.12 H new ATOM 0 HG12 ILE X 65 5.152 -1.078 6.718 1.00 43.33 H new ATOM 0 HG13 ILE X 65 5.800 0.410 6.056 1.00 43.33 H new ATOM 0 HG21 ILE X 65 8.194 0.949 6.236 1.00 0.41 H new ATOM 0 HG22 ILE X 65 9.354 -0.245 6.866 1.00 0.41 H new ATOM 0 HG23 ILE X 65 8.590 -0.499 5.279 1.00 0.41 H new ATOM 0 HD11 ILE X 65 5.157 -1.150 4.241 1.00 75.14 H new ATOM 0 HD12 ILE X 65 6.915 -0.873 4.229 1.00 75.14 H new ATOM 0 HD13 ILE X 65 6.257 -2.383 4.901 1.00 75.14 H new ATOM 1121 N ARG X 66 8.698 -2.487 9.230 1.00 53.23 N ATOM 1122 CA ARG X 66 9.867 -2.649 10.158 1.00 11.54 C ATOM 1123 C ARG X 66 10.574 -3.976 9.865 1.00 3.41 C ATOM 1124 O ARG X 66 11.786 -4.045 9.828 1.00 51.11 O ATOM 1125 CB ARG X 66 9.391 -2.659 11.626 1.00 73.53 C ATOM 1126 CG ARG X 66 9.023 -1.218 12.079 1.00 51.42 C ATOM 1127 CD ARG X 66 8.592 -1.221 13.557 1.00 62.11 C ATOM 1128 NE ARG X 66 7.191 -1.760 13.758 1.00 53.32 N ATOM 1129 CZ ARG X 66 6.216 -0.916 13.586 1.00 21.12 C ATOM 1130 NH1 ARG X 66 6.437 0.106 12.797 1.00 55.34 N ATOM 1131 NH2 ARG X 66 4.987 -1.213 13.948 1.00 13.23 N ATOM 0 H ARG X 66 7.799 -2.337 9.688 1.00 53.23 H new ATOM 0 HA ARG X 66 10.550 -1.814 10.003 1.00 11.54 H new ATOM 0 HB2 ARG X 66 8.526 -3.314 11.731 1.00 73.53 H new ATOM 0 HB3 ARG X 66 10.175 -3.061 12.268 1.00 73.53 H new ATOM 0 HG2 ARG X 66 9.878 -0.556 11.943 1.00 51.42 H new ATOM 0 HG3 ARG X 66 8.217 -0.828 11.458 1.00 51.42 H new ATOM 0 HD2 ARG X 66 9.294 -1.822 14.134 1.00 62.11 H new ATOM 0 HD3 ARG X 66 8.645 -0.205 13.948 1.00 62.11 H new ATOM 0 HE ARG X 66 7.021 -2.732 14.014 1.00 53.32 H new ATOM 0 HH11 ARG X 66 7.345 0.215 12.346 1.00 55.34 H new ATOM 0 HH12 ARG X 66 5.701 0.793 12.633 1.00 55.34 H new ATOM 0 HH21 ARG X 66 4.785 -2.118 14.372 1.00 13.23 H new ATOM 0 HH22 ARG X 66 4.236 -0.538 13.805 1.00 13.23 H new ATOM 1145 N LYS X 67 9.824 -5.032 9.673 1.00 23.21 N ATOM 1146 CA LYS X 67 10.450 -6.365 9.405 1.00 24.41 C ATOM 1147 C LYS X 67 11.249 -6.299 8.100 1.00 70.53 C ATOM 1148 O LYS X 67 12.405 -6.674 8.051 1.00 45.21 O ATOM 1149 CB LYS X 67 9.345 -7.430 9.300 1.00 33.51 C ATOM 1150 CG LYS X 67 9.962 -8.831 9.140 1.00 70.43 C ATOM 1151 CD LYS X 67 8.842 -9.885 9.070 1.00 74.23 C ATOM 1152 CE LYS X 67 9.446 -11.291 8.929 1.00 53.22 C ATOM 1153 NZ LYS X 67 8.356 -12.314 8.926 1.00 44.15 N ATOM 0 H LYS X 67 8.804 -5.030 9.690 1.00 23.21 H new ATOM 0 HA LYS X 67 11.125 -6.630 10.219 1.00 24.41 H new ATOM 0 HB2 LYS X 67 8.718 -7.402 10.191 1.00 33.51 H new ATOM 0 HB3 LYS X 67 8.700 -7.211 8.449 1.00 33.51 H new ATOM 0 HG2 LYS X 67 10.569 -8.871 8.236 1.00 70.43 H new ATOM 0 HG3 LYS X 67 10.625 -9.045 9.978 1.00 70.43 H new ATOM 0 HD2 LYS X 67 8.227 -9.834 9.969 1.00 74.23 H new ATOM 0 HD3 LYS X 67 8.188 -9.676 8.224 1.00 74.23 H new ATOM 0 HE2 LYS X 67 10.022 -11.358 8.006 1.00 53.22 H new ATOM 0 HE3 LYS X 67 10.136 -11.484 9.750 1.00 53.22 H new ATOM 0 HZ1 LYS X 67 8.771 -13.263 8.830 1.00 44.15 H new ATOM 0 HZ2 LYS X 67 7.824 -12.257 9.818 1.00 44.15 H new ATOM 0 HZ3 LYS X 67 7.714 -12.135 8.128 1.00 44.15 H new ATOM 1167 N LEU X 68 10.647 -5.814 7.046 1.00 31.43 N ATOM 1168 CA LEU X 68 11.374 -5.714 5.747 1.00 72.03 C ATOM 1169 C LEU X 68 12.519 -4.702 5.889 1.00 42.20 C ATOM 1170 O LEU X 68 13.565 -4.839 5.284 1.00 42.12 O ATOM 1171 CB LEU X 68 10.419 -5.219 4.652 1.00 20.21 C ATOM 1172 CG LEU X 68 9.330 -6.258 4.351 1.00 64.23 C ATOM 1173 CD1 LEU X 68 8.324 -5.644 3.374 1.00 74.35 C ATOM 1174 CD2 LEU X 68 9.952 -7.503 3.710 1.00 40.12 C ATOM 0 H LEU X 68 9.682 -5.483 7.029 1.00 31.43 H new ATOM 0 HA LEU X 68 11.764 -6.696 5.479 1.00 72.03 H new ATOM 0 HB2 LEU X 68 9.956 -4.284 4.966 1.00 20.21 H new ATOM 0 HB3 LEU X 68 10.983 -5.006 3.744 1.00 20.21 H new ATOM 0 HG LEU X 68 8.836 -6.544 5.279 1.00 64.23 H new ATOM 0 HD11 LEU X 68 7.543 -6.371 3.151 1.00 74.35 H new ATOM 0 HD12 LEU X 68 7.876 -4.757 3.822 1.00 74.35 H new ATOM 0 HD13 LEU X 68 8.835 -5.366 2.452 1.00 74.35 H new ATOM 0 HD21 LEU X 68 9.171 -8.233 3.501 1.00 40.12 H new ATOM 0 HD22 LEU X 68 10.447 -7.225 2.780 1.00 40.12 H new ATOM 0 HD23 LEU X 68 10.682 -7.938 4.393 1.00 40.12 H new ATOM 1186 N CYS X 69 12.319 -3.683 6.689 1.00 1.33 N ATOM 1187 CA CYS X 69 13.379 -2.646 6.879 1.00 64.55 C ATOM 1188 C CYS X 69 14.658 -3.313 7.394 1.00 14.44 C ATOM 1189 O CYS X 69 15.747 -2.799 7.230 1.00 34.45 O ATOM 1190 CB CYS X 69 12.898 -1.603 7.895 1.00 2.02 C ATOM 1191 SG CYS X 69 11.903 -0.348 7.051 1.00 62.31 S ATOM 0 H CYS X 69 11.463 -3.525 7.221 1.00 1.33 H new ATOM 0 HA CYS X 69 13.584 -2.156 5.927 1.00 64.55 H new ATOM 0 HB2 CYS X 69 12.309 -2.085 8.675 1.00 2.02 H new ATOM 0 HB3 CYS X 69 13.753 -1.136 8.384 1.00 2.02 H new ATOM 0 HG CYS X 69 11.494 0.534 7.914 1.00 62.31 H new ATOM 1197 N LYS X 70 14.533 -4.460 8.007 1.00 70.53 N ATOM 1198 CA LYS X 70 15.737 -5.169 8.530 1.00 4.10 C ATOM 1199 C LYS X 70 16.180 -6.227 7.509 1.00 62.34 C ATOM 1200 O LYS X 70 17.348 -6.528 7.381 1.00 74.54 O ATOM 1201 CB LYS X 70 15.393 -5.861 9.855 1.00 65.10 C ATOM 1202 CG LYS X 70 14.781 -4.859 10.838 1.00 11.24 C ATOM 1203 CD LYS X 70 15.721 -3.660 11.021 1.00 42.51 C ATOM 1204 CE LYS X 70 15.391 -2.930 12.328 1.00 24.42 C ATOM 1205 NZ LYS X 70 16.335 -1.789 12.524 1.00 61.00 N ATOM 0 H LYS X 70 13.646 -4.938 8.168 1.00 70.53 H new ATOM 0 HA LYS X 70 16.540 -4.450 8.694 1.00 4.10 H new ATOM 0 HB2 LYS X 70 14.693 -6.677 9.675 1.00 65.10 H new ATOM 0 HB3 LYS X 70 16.292 -6.301 10.287 1.00 65.10 H new ATOM 0 HG2 LYS X 70 13.813 -4.520 10.468 1.00 11.24 H new ATOM 0 HG3 LYS X 70 14.604 -5.342 11.799 1.00 11.24 H new ATOM 0 HD2 LYS X 70 16.757 -3.998 11.035 1.00 42.51 H new ATOM 0 HD3 LYS X 70 15.621 -2.977 10.178 1.00 42.51 H new ATOM 0 HE2 LYS X 70 14.365 -2.564 12.301 1.00 24.42 H new ATOM 0 HE3 LYS X 70 15.462 -3.620 13.168 1.00 24.42 H new ATOM 0 HZ1 LYS X 70 16.106 -1.298 13.412 1.00 61.00 H new ATOM 0 HZ2 LYS X 70 17.310 -2.149 12.568 1.00 61.00 H new ATOM 0 HZ3 LYS X 70 16.247 -1.125 11.728 1.00 61.00 H new ATOM 1219 N GLU X 71 15.246 -6.798 6.788 1.00 24.24 N ATOM 1220 CA GLU X 71 15.598 -7.862 5.796 1.00 14.11 C ATOM 1221 C GLU X 71 16.523 -7.285 4.721 1.00 54.03 C ATOM 1222 O GLU X 71 17.639 -7.732 4.541 1.00 1.11 O ATOM 1223 CB GLU X 71 14.320 -8.384 5.128 1.00 61.12 C ATOM 1224 CG GLU X 71 13.472 -9.152 6.151 1.00 64.43 C ATOM 1225 CD GLU X 71 14.208 -10.428 6.573 1.00 22.04 C ATOM 1226 OE1 GLU X 71 15.079 -10.859 5.835 1.00 50.20 O ATOM 1227 OE2 GLU X 71 13.890 -10.953 7.627 1.00 55.33 O ATOM 0 H GLU X 71 14.253 -6.573 6.844 1.00 24.24 H new ATOM 0 HA GLU X 71 16.104 -8.677 6.314 1.00 14.11 H new ATOM 0 HB2 GLU X 71 13.747 -7.552 4.719 1.00 61.12 H new ATOM 0 HB3 GLU X 71 14.576 -9.036 4.293 1.00 61.12 H new ATOM 0 HG2 GLU X 71 13.279 -8.526 7.022 1.00 64.43 H new ATOM 0 HG3 GLU X 71 12.503 -9.404 5.720 1.00 64.43 H new ATOM 1234 N HIS X 72 16.056 -6.302 3.995 1.00 34.31 N ATOM 1235 CA HIS X 72 16.890 -5.718 2.904 1.00 40.10 C ATOM 1236 C HIS X 72 17.904 -4.753 3.506 1.00 21.44 C ATOM 1237 O HIS X 72 18.690 -4.141 2.809 1.00 41.44 O ATOM 1238 CB HIS X 72 15.990 -4.976 1.905 1.00 73.40 C ATOM 1239 CG HIS X 72 15.192 -3.923 2.622 1.00 41.11 C ATOM 1240 ND1 HIS X 72 15.782 -2.806 3.198 1.00 23.33 N ATOM 1241 CD2 HIS X 72 13.844 -3.803 2.864 1.00 42.33 C ATOM 1242 CE1 HIS X 72 14.800 -2.072 3.756 1.00 1.21 C ATOM 1243 NE2 HIS X 72 13.604 -2.636 3.580 1.00 35.23 N ATOM 0 H HIS X 72 15.135 -5.880 4.111 1.00 34.31 H new ATOM 0 HA HIS X 72 17.417 -6.516 2.381 1.00 40.10 H new ATOM 0 HB2 HIS X 72 16.598 -4.517 1.126 1.00 73.40 H new ATOM 0 HB3 HIS X 72 15.320 -5.681 1.413 1.00 73.40 H new ATOM 0 HD2 HIS X 72 13.088 -4.507 2.547 1.00 42.33 H new ATOM 0 HE1 HIS X 72 14.961 -1.142 4.281 1.00 1.21 H new ATOM 0 HE2 HIS X 72 12.703 -2.285 3.903 1.00 35.23 H new ATOM 1252 N ASN X 73 17.912 -4.624 4.797 1.00 62.51 N ATOM 1253 CA ASN X 73 18.889 -3.706 5.450 1.00 40.03 C ATOM 1254 C ASN X 73 19.308 -2.596 4.495 1.00 50.53 C ATOM 1255 O ASN X 73 20.474 -2.284 4.381 1.00 20.41 O ATOM 1256 CB ASN X 73 20.132 -4.487 5.859 1.00 32.24 C ATOM 1257 CG ASN X 73 20.723 -5.140 4.620 1.00 52.32 C ATOM 1258 OD1 ASN X 73 20.128 -6.014 4.026 1.00 43.45 O ATOM 1259 ND2 ASN X 73 21.910 -4.774 4.242 1.00 2.51 N ATOM 0 H ASN X 73 17.284 -5.114 5.434 1.00 62.51 H new ATOM 0 HA ASN X 73 18.410 -3.267 6.325 1.00 40.03 H new ATOM 0 HB2 ASN X 73 20.862 -3.822 6.321 1.00 32.24 H new ATOM 0 HB3 ASN X 73 19.876 -5.244 6.600 1.00 32.24 H new ATOM 0 HD21 ASN X 73 22.350 -5.223 3.439 1.00 2.51 H new ATOM 0 HD22 ASN X 73 22.402 -4.038 4.748 1.00 2.51 H new ATOM 1266 N VAL X 74 18.373 -1.996 3.813 1.00 63.43 N ATOM 1267 CA VAL X 74 18.723 -0.901 2.857 1.00 33.33 C ATOM 1268 C VAL X 74 18.220 0.432 3.419 1.00 70.51 C ATOM 1269 O VAL X 74 18.681 1.487 3.034 1.00 55.11 O ATOM 1270 CB VAL X 74 18.052 -1.179 1.510 1.00 14.40 C ATOM 1271 CG1 VAL X 74 17.809 0.137 0.766 1.00 64.23 C ATOM 1272 CG2 VAL X 74 18.961 -2.076 0.666 1.00 4.12 C ATOM 0 H VAL X 74 17.379 -2.215 3.874 1.00 63.43 H new ATOM 0 HA VAL X 74 19.803 -0.854 2.721 1.00 33.33 H new ATOM 0 HB VAL X 74 17.097 -1.676 1.682 1.00 14.40 H new ATOM 0 HG11 VAL X 74 17.331 -0.069 -0.192 1.00 64.23 H new ATOM 0 HG12 VAL X 74 17.162 0.779 1.364 1.00 64.23 H new ATOM 0 HG13 VAL X 74 18.761 0.640 0.596 1.00 64.23 H new ATOM 0 HG21 VAL X 74 18.485 -2.276 -0.294 1.00 4.12 H new ATOM 0 HG22 VAL X 74 19.915 -1.575 0.501 1.00 4.12 H new ATOM 0 HG23 VAL X 74 19.131 -3.017 1.189 1.00 4.12 H new ATOM 1282 N ASP X 75 17.289 0.391 4.337 1.00 3.11 N ATOM 1283 CA ASP X 75 16.768 1.661 4.922 1.00 25.14 C ATOM 1284 C ASP X 75 15.832 1.347 6.092 1.00 1.24 C ATOM 1285 O ASP X 75 15.494 0.206 6.342 1.00 61.21 O ATOM 1286 CB ASP X 75 16.006 2.457 3.859 1.00 42.25 C ATOM 1287 CG ASP X 75 14.824 1.640 3.338 1.00 44.35 C ATOM 1288 OD1 ASP X 75 14.118 1.075 4.155 1.00 62.30 O ATOM 1289 OD2 ASP X 75 14.642 1.598 2.135 1.00 0.10 O ATOM 0 H ASP X 75 16.869 -0.463 4.705 1.00 3.11 H new ATOM 0 HA ASP X 75 17.610 2.255 5.279 1.00 25.14 H new ATOM 0 HB2 ASP X 75 15.650 3.396 4.282 1.00 42.25 H new ATOM 0 HB3 ASP X 75 16.674 2.711 3.036 1.00 42.25 H new ATOM 1294 N GLU X 76 15.416 2.357 6.815 1.00 41.45 N ATOM 1295 CA GLU X 76 14.502 2.133 7.978 1.00 23.33 C ATOM 1296 C GLU X 76 13.452 3.245 8.034 1.00 42.04 C ATOM 1297 O GLU X 76 12.426 3.180 7.385 1.00 14.43 O ATOM 1298 CB GLU X 76 15.316 2.153 9.275 1.00 54.01 C ATOM 1299 CG GLU X 76 14.407 1.840 10.473 1.00 62.45 C ATOM 1300 CD GLU X 76 15.233 1.810 11.760 1.00 52.23 C ATOM 1301 OE1 GLU X 76 16.372 2.239 11.721 1.00 11.55 O ATOM 1302 OE2 GLU X 76 14.708 1.363 12.766 1.00 25.52 O ATOM 0 H GLU X 76 15.671 3.331 6.649 1.00 41.45 H new ATOM 0 HA GLU X 76 14.007 1.169 7.863 1.00 23.33 H new ATOM 0 HB2 GLU X 76 16.122 1.421 9.219 1.00 54.01 H new ATOM 0 HB3 GLU X 76 15.781 3.130 9.407 1.00 54.01 H new ATOM 0 HG2 GLU X 76 13.622 2.593 10.552 1.00 62.45 H new ATOM 0 HG3 GLU X 76 13.914 0.879 10.325 1.00 62.45 H new ATOM 1309 N ASN X 77 13.691 4.256 8.829 1.00 10.10 N ATOM 1310 CA ASN X 77 12.693 5.358 8.967 1.00 15.13 C ATOM 1311 C ASN X 77 12.374 5.980 7.602 1.00 23.04 C ATOM 1312 O ASN X 77 11.248 6.354 7.332 1.00 63.24 O ATOM 1313 CB ASN X 77 13.246 6.442 9.901 1.00 22.42 C ATOM 1314 CG ASN X 77 14.611 6.916 9.398 1.00 60.52 C ATOM 1315 OD1 ASN X 77 15.621 6.300 9.671 1.00 40.32 O ATOM 1316 ND2 ASN X 77 14.684 8.003 8.677 1.00 51.52 N ATOM 0 H ASN X 77 14.536 4.366 9.390 1.00 10.10 H new ATOM 0 HA ASN X 77 11.777 4.940 9.384 1.00 15.13 H new ATOM 0 HB2 ASN X 77 12.554 7.283 9.947 1.00 22.42 H new ATOM 0 HB3 ASN X 77 13.338 6.049 10.914 1.00 22.42 H new ATOM 0 HD21 ASN X 77 15.589 8.334 8.344 1.00 51.52 H new ATOM 0 HD22 ASN X 77 13.836 8.521 8.447 1.00 51.52 H new ATOM 1323 N ILE X 78 13.349 6.109 6.745 1.00 31.54 N ATOM 1324 CA ILE X 78 13.096 6.731 5.413 1.00 21.51 C ATOM 1325 C ILE X 78 11.869 6.083 4.763 1.00 53.20 C ATOM 1326 O ILE X 78 11.001 6.756 4.242 1.00 50.15 O ATOM 1327 CB ILE X 78 14.316 6.521 4.508 1.00 11.31 C ATOM 1328 CG1 ILE X 78 15.582 6.992 5.235 1.00 65.21 C ATOM 1329 CG2 ILE X 78 14.132 7.331 3.221 1.00 45.30 C ATOM 1330 CD1 ILE X 78 16.433 5.782 5.636 1.00 54.44 C ATOM 0 H ILE X 78 14.311 5.811 6.909 1.00 31.54 H new ATOM 0 HA ILE X 78 12.916 7.798 5.546 1.00 21.51 H new ATOM 0 HB ILE X 78 14.414 5.463 4.265 1.00 11.31 H new ATOM 0 HG12 ILE X 78 16.158 7.655 4.589 1.00 65.21 H new ATOM 0 HG13 ILE X 78 15.311 7.567 6.121 1.00 65.21 H new ATOM 0 HG21 ILE X 78 14.996 7.186 2.573 1.00 45.30 H new ATOM 0 HG22 ILE X 78 13.232 6.996 2.706 1.00 45.30 H new ATOM 0 HG23 ILE X 78 14.037 8.389 3.467 1.00 45.30 H new ATOM 0 HD11 ILE X 78 17.331 6.123 6.152 1.00 54.44 H new ATOM 0 HD12 ILE X 78 15.857 5.136 6.299 1.00 54.44 H new ATOM 0 HD13 ILE X 78 16.717 5.225 4.743 1.00 54.44 H new ATOM 1342 N GLY X 79 11.797 4.782 4.785 1.00 42.22 N ATOM 1343 CA GLY X 79 10.639 4.083 4.160 1.00 32.23 C ATOM 1344 C GLY X 79 9.363 4.355 4.963 1.00 22.41 C ATOM 1345 O GLY X 79 8.315 4.621 4.407 1.00 0.02 O ATOM 0 H GLY X 79 12.493 4.170 5.211 1.00 42.22 H new ATOM 0 HA2 GLY X 79 10.511 4.423 3.132 1.00 32.23 H new ATOM 0 HA3 GLY X 79 10.831 3.011 4.119 1.00 32.23 H new ATOM 1349 N ILE X 80 9.442 4.282 6.264 1.00 5.22 N ATOM 1350 CA ILE X 80 8.226 4.500 7.102 1.00 53.43 C ATOM 1351 C ILE X 80 7.736 5.943 6.931 1.00 35.43 C ATOM 1352 O ILE X 80 6.552 6.195 6.822 1.00 20.13 O ATOM 1353 CB ILE X 80 8.567 4.245 8.577 1.00 52.02 C ATOM 1354 CG1 ILE X 80 8.869 2.755 8.788 1.00 22.24 C ATOM 1355 CG2 ILE X 80 7.377 4.650 9.448 1.00 2.11 C ATOM 1356 CD1 ILE X 80 9.449 2.536 10.189 1.00 1.44 C ATOM 0 H ILE X 80 10.296 4.081 6.784 1.00 5.22 H new ATOM 0 HA ILE X 80 7.441 3.812 6.787 1.00 53.43 H new ATOM 0 HB ILE X 80 9.442 4.833 8.853 1.00 52.02 H new ATOM 0 HG12 ILE X 80 7.958 2.169 8.666 1.00 22.24 H new ATOM 0 HG13 ILE X 80 9.575 2.407 8.034 1.00 22.24 H new ATOM 0 HG21 ILE X 80 7.616 4.470 10.496 1.00 2.11 H new ATOM 0 HG22 ILE X 80 7.162 5.708 9.301 1.00 2.11 H new ATOM 0 HG23 ILE X 80 6.504 4.060 9.168 1.00 2.11 H new ATOM 0 HD11 ILE X 80 9.661 1.477 10.333 1.00 1.44 H new ATOM 0 HD12 ILE X 80 10.370 3.109 10.295 1.00 1.44 H new ATOM 0 HD13 ILE X 80 8.728 2.867 10.937 1.00 1.44 H new ATOM 1368 N LYS X 81 8.637 6.890 6.910 1.00 64.30 N ATOM 1369 CA LYS X 81 8.227 8.324 6.792 1.00 55.13 C ATOM 1370 C LYS X 81 7.456 8.529 5.485 1.00 54.33 C ATOM 1371 O LYS X 81 6.490 9.264 5.431 1.00 3.31 O ATOM 1372 CB LYS X 81 9.479 9.216 6.790 1.00 70.23 C ATOM 1373 CG LYS X 81 10.201 9.128 8.146 1.00 15.45 C ATOM 1374 CD LYS X 81 9.497 10.037 9.168 1.00 32.43 C ATOM 1375 CE LYS X 81 10.237 10.001 10.512 1.00 24.13 C ATOM 1376 NZ LYS X 81 9.542 10.876 11.500 1.00 52.33 N ATOM 0 H LYS X 81 9.643 6.733 6.970 1.00 64.30 H new ATOM 0 HA LYS X 81 7.591 8.590 7.636 1.00 55.13 H new ATOM 0 HB2 LYS X 81 10.153 8.907 5.991 1.00 70.23 H new ATOM 0 HB3 LYS X 81 9.197 10.249 6.587 1.00 70.23 H new ATOM 0 HG2 LYS X 81 10.203 8.098 8.502 1.00 15.45 H new ATOM 0 HG3 LYS X 81 11.243 9.429 8.034 1.00 15.45 H new ATOM 0 HD2 LYS X 81 9.462 11.059 8.792 1.00 32.43 H new ATOM 0 HD3 LYS X 81 8.466 9.712 9.304 1.00 32.43 H new ATOM 0 HE2 LYS X 81 10.279 8.978 10.886 1.00 24.13 H new ATOM 0 HE3 LYS X 81 11.266 10.335 10.379 1.00 24.13 H new ATOM 0 HZ1 LYS X 81 10.049 10.846 12.407 1.00 52.33 H new ATOM 0 HZ2 LYS X 81 9.524 11.854 11.146 1.00 52.33 H new ATOM 0 HZ3 LYS X 81 8.568 10.539 11.637 1.00 52.33 H new ATOM 1390 N ILE X 82 7.889 7.896 4.428 1.00 22.23 N ATOM 1391 CA ILE X 82 7.226 8.098 3.105 1.00 74.43 C ATOM 1392 C ILE X 82 6.019 7.161 2.976 1.00 33.03 C ATOM 1393 O ILE X 82 5.014 7.506 2.387 1.00 10.32 O ATOM 1394 CB ILE X 82 8.226 7.789 1.985 1.00 31.30 C ATOM 1395 CG1 ILE X 82 7.536 7.958 0.626 1.00 71.33 C ATOM 1396 CG2 ILE X 82 8.725 6.349 2.133 1.00 42.12 C ATOM 1397 CD1 ILE X 82 8.578 7.932 -0.496 1.00 12.50 C ATOM 0 H ILE X 82 8.675 7.246 4.423 1.00 22.23 H new ATOM 0 HA ILE X 82 6.889 9.132 3.028 1.00 74.43 H new ATOM 0 HB ILE X 82 9.072 8.474 2.049 1.00 31.30 H new ATOM 0 HG12 ILE X 82 6.808 7.160 0.476 1.00 71.33 H new ATOM 0 HG13 ILE X 82 6.987 8.899 0.602 1.00 71.33 H new ATOM 0 HG21 ILE X 82 9.436 6.127 1.338 1.00 42.12 H new ATOM 0 HG22 ILE X 82 9.214 6.231 3.100 1.00 42.12 H new ATOM 0 HG23 ILE X 82 7.881 5.663 2.067 1.00 42.12 H new ATOM 0 HD11 ILE X 82 8.080 8.053 -1.458 1.00 12.50 H new ATOM 0 HD12 ILE X 82 9.289 8.745 -0.351 1.00 12.50 H new ATOM 0 HD13 ILE X 82 9.108 6.980 -0.479 1.00 12.50 H new ATOM 1409 N PHE X 83 6.117 5.977 3.518 1.00 64.12 N ATOM 1410 CA PHE X 83 4.996 4.997 3.410 1.00 4.22 C ATOM 1411 C PHE X 83 3.687 5.658 3.857 1.00 64.44 C ATOM 1412 O PHE X 83 2.665 5.539 3.209 1.00 24.24 O ATOM 1413 CB PHE X 83 5.292 3.795 4.316 1.00 63.22 C ATOM 1414 CG PHE X 83 5.638 2.585 3.473 1.00 31.20 C ATOM 1415 CD1 PHE X 83 4.696 2.064 2.575 1.00 11.32 C ATOM 1416 CD2 PHE X 83 6.901 1.986 3.586 1.00 73.41 C ATOM 1417 CE1 PHE X 83 5.017 0.948 1.792 1.00 50.33 C ATOM 1418 CE2 PHE X 83 7.220 0.870 2.801 1.00 33.10 C ATOM 1419 CZ PHE X 83 6.276 0.350 1.906 1.00 63.33 C ATOM 0 H PHE X 83 6.931 5.644 4.035 1.00 64.12 H new ATOM 0 HA PHE X 83 4.898 4.667 2.376 1.00 4.22 H new ATOM 0 HB2 PHE X 83 6.118 4.029 4.987 1.00 63.22 H new ATOM 0 HB3 PHE X 83 4.426 3.578 4.941 1.00 63.22 H new ATOM 0 HD1 PHE X 83 3.723 2.523 2.487 1.00 11.32 H new ATOM 0 HD2 PHE X 83 7.628 2.385 4.278 1.00 73.41 H new ATOM 0 HE1 PHE X 83 4.291 0.549 1.099 1.00 50.33 H new ATOM 0 HE2 PHE X 83 8.194 0.411 2.886 1.00 33.10 H new ATOM 0 HZ PHE X 83 6.521 -0.513 1.304 1.00 63.33 H new ATOM 1429 N GLN X 84 3.715 6.353 4.963 1.00 3.32 N ATOM 1430 CA GLN X 84 2.485 7.037 5.466 1.00 51.11 C ATOM 1431 C GLN X 84 1.955 7.988 4.388 1.00 4.11 C ATOM 1432 O GLN X 84 0.773 8.027 4.107 1.00 74.53 O ATOM 1433 CB GLN X 84 2.844 7.834 6.728 1.00 23.32 C ATOM 1434 CG GLN X 84 1.595 8.502 7.309 1.00 55.20 C ATOM 1435 CD GLN X 84 1.939 9.146 8.654 1.00 32.22 C ATOM 1436 OE1 GLN X 84 2.920 8.793 9.279 1.00 35.30 O ATOM 1437 NE2 GLN X 84 1.164 10.076 9.134 1.00 64.23 N ATOM 0 H GLN X 84 4.543 6.478 5.545 1.00 3.32 H new ATOM 0 HA GLN X 84 1.717 6.300 5.702 1.00 51.11 H new ATOM 0 HB2 GLN X 84 3.289 7.171 7.470 1.00 23.32 H new ATOM 0 HB3 GLN X 84 3.591 8.591 6.488 1.00 23.32 H new ATOM 0 HG2 GLN X 84 1.219 9.257 6.618 1.00 55.20 H new ATOM 0 HG3 GLN X 84 0.803 7.765 7.439 1.00 55.20 H new ATOM 0 HE21 GLN X 84 0.340 10.374 8.611 1.00 64.23 H new ATOM 0 HE22 GLN X 84 1.381 10.507 10.033 1.00 64.23 H new ATOM 1446 N ARG X 85 2.830 8.751 3.781 1.00 53.44 N ATOM 1447 CA ARG X 85 2.399 9.693 2.700 1.00 20.42 C ATOM 1448 C ARG X 85 1.567 8.926 1.664 1.00 64.32 C ATOM 1449 O ARG X 85 0.547 9.397 1.202 1.00 20.32 O ATOM 1450 CB ARG X 85 3.641 10.293 2.018 1.00 51.13 C ATOM 1451 CG ARG X 85 4.571 10.953 3.064 1.00 32.50 C ATOM 1452 CD ARG X 85 3.927 12.268 3.554 1.00 53.45 C ATOM 1453 NE ARG X 85 4.950 13.160 4.274 1.00 74.01 N ATOM 1454 CZ ARG X 85 4.613 14.363 4.670 1.00 41.40 C ATOM 1455 NH1 ARG X 85 3.364 14.720 4.611 1.00 43.13 N ATOM 1456 NH2 ARG X 85 5.507 15.192 5.141 1.00 33.34 N ATOM 0 H ARG X 85 3.829 8.762 3.988 1.00 53.44 H new ATOM 0 HA ARG X 85 1.799 10.495 3.130 1.00 20.42 H new ATOM 0 HB2 ARG X 85 4.182 9.512 1.484 1.00 51.13 H new ATOM 0 HB3 ARG X 85 3.335 11.032 1.278 1.00 51.13 H new ATOM 0 HG2 ARG X 85 4.732 10.277 3.904 1.00 32.50 H new ATOM 0 HG3 ARG X 85 5.548 11.154 2.625 1.00 32.50 H new ATOM 0 HD2 ARG X 85 3.506 12.807 2.705 1.00 53.45 H new ATOM 0 HD3 ARG X 85 3.102 12.041 4.229 1.00 53.45 H new ATOM 0 HE ARG X 85 5.895 12.815 4.444 1.00 74.01 H new ATOM 0 HH11 ARG X 85 2.663 14.067 4.260 1.00 43.13 H new ATOM 0 HH12 ARG X 85 3.085 15.653 4.915 1.00 43.13 H new ATOM 0 HH21 ARG X 85 6.484 14.906 5.205 1.00 33.34 H new ATOM 0 HH22 ARG X 85 5.228 16.125 5.445 1.00 33.34 H new ATOM 1470 N LEU X 86 2.001 7.745 1.299 1.00 62.43 N ATOM 1471 CA LEU X 86 1.239 6.926 0.299 1.00 30.43 C ATOM 1472 C LEU X 86 -0.102 6.491 0.897 1.00 24.03 C ATOM 1473 O LEU X 86 -1.112 6.463 0.220 1.00 63.14 O ATOM 1474 CB LEU X 86 2.058 5.679 -0.062 1.00 45.15 C ATOM 1475 CG LEU X 86 3.087 6.008 -1.152 1.00 44.52 C ATOM 1476 CD1 LEU X 86 2.379 6.281 -2.480 1.00 44.13 C ATOM 1477 CD2 LEU X 86 3.876 7.257 -0.742 1.00 71.33 C ATOM 0 H LEU X 86 2.853 7.309 1.651 1.00 62.43 H new ATOM 0 HA LEU X 86 1.059 7.524 -0.594 1.00 30.43 H new ATOM 0 HB2 LEU X 86 2.567 5.302 0.825 1.00 45.15 H new ATOM 0 HB3 LEU X 86 1.393 4.888 -0.408 1.00 45.15 H new ATOM 0 HG LEU X 86 3.761 5.160 -1.271 1.00 44.52 H new ATOM 0 HD11 LEU X 86 3.119 6.513 -3.246 1.00 44.13 H new ATOM 0 HD12 LEU X 86 1.813 5.399 -2.778 1.00 44.13 H new ATOM 0 HD13 LEU X 86 1.700 7.126 -2.363 1.00 44.13 H new ATOM 0 HD21 LEU X 86 4.608 7.494 -1.514 1.00 71.33 H new ATOM 0 HD22 LEU X 86 3.191 8.096 -0.621 1.00 71.33 H new ATOM 0 HD23 LEU X 86 4.390 7.069 0.201 1.00 71.33 H new ATOM 1489 N ILE X 87 -0.119 6.151 2.159 1.00 34.44 N ATOM 1490 CA ILE X 87 -1.390 5.702 2.801 1.00 64.33 C ATOM 1491 C ILE X 87 -2.405 6.853 2.790 1.00 20.30 C ATOM 1492 O ILE X 87 -3.570 6.664 2.500 1.00 4.44 O ATOM 1493 CB ILE X 87 -1.108 5.275 4.244 1.00 43.52 C ATOM 1494 CG1 ILE X 87 -0.185 4.048 4.252 1.00 72.15 C ATOM 1495 CG2 ILE X 87 -2.426 4.934 4.945 1.00 50.02 C ATOM 1496 CD1 ILE X 87 -0.833 2.891 3.486 1.00 42.22 C ATOM 0 H ILE X 87 0.694 6.165 2.774 1.00 34.44 H new ATOM 0 HA ILE X 87 -1.800 4.857 2.248 1.00 64.33 H new ATOM 0 HB ILE X 87 -0.619 6.094 4.772 1.00 43.52 H new ATOM 0 HG12 ILE X 87 0.773 4.302 3.798 1.00 72.15 H new ATOM 0 HG13 ILE X 87 0.019 3.744 5.279 1.00 72.15 H new ATOM 0 HG21 ILE X 87 -2.224 4.630 5.972 1.00 50.02 H new ATOM 0 HG22 ILE X 87 -3.074 5.810 4.947 1.00 50.02 H new ATOM 0 HG23 ILE X 87 -2.919 4.119 4.416 1.00 50.02 H new ATOM 0 HD11 ILE X 87 -0.168 2.028 3.500 1.00 42.22 H new ATOM 0 HD12 ILE X 87 -1.780 2.627 3.958 1.00 42.22 H new ATOM 0 HD13 ILE X 87 -1.014 3.193 2.455 1.00 42.22 H new ATOM 1508 N GLU X 88 -1.966 8.046 3.094 1.00 74.11 N ATOM 1509 CA GLU X 88 -2.894 9.213 3.102 1.00 13.14 C ATOM 1510 C GLU X 88 -3.547 9.335 1.721 1.00 20.12 C ATOM 1511 O GLU X 88 -4.755 9.402 1.596 1.00 40.25 O ATOM 1512 CB GLU X 88 -2.091 10.484 3.411 1.00 42.41 C ATOM 1513 CG GLU X 88 -3.023 11.699 3.459 1.00 45.01 C ATOM 1514 CD GLU X 88 -2.211 12.951 3.805 1.00 12.40 C ATOM 1515 OE1 GLU X 88 -0.995 12.883 3.743 1.00 75.42 O ATOM 1516 OE2 GLU X 88 -2.820 13.960 4.123 1.00 73.00 O ATOM 0 H GLU X 88 -1.000 8.262 3.338 1.00 74.11 H new ATOM 0 HA GLU X 88 -3.666 9.079 3.859 1.00 13.14 H new ATOM 0 HB2 GLU X 88 -1.575 10.374 4.365 1.00 42.41 H new ATOM 0 HB3 GLU X 88 -1.325 10.633 2.650 1.00 42.41 H new ATOM 0 HG2 GLU X 88 -3.519 11.828 2.497 1.00 45.01 H new ATOM 0 HG3 GLU X 88 -3.805 11.542 4.202 1.00 45.01 H new ATOM 1523 N HIS X 89 -2.752 9.356 0.683 1.00 31.35 N ATOM 1524 CA HIS X 89 -3.308 9.470 -0.697 1.00 5.44 C ATOM 1525 C HIS X 89 -4.146 8.226 -1.007 1.00 45.14 C ATOM 1526 O HIS X 89 -5.035 8.254 -1.835 1.00 4.14 O ATOM 1527 CB HIS X 89 -2.148 9.612 -1.694 1.00 2.51 C ATOM 1528 CG HIS X 89 -2.032 8.388 -2.566 1.00 72.25 C ATOM 1529 ND1 HIS X 89 -1.220 7.312 -2.235 1.00 43.44 N ATOM 1530 CD2 HIS X 89 -2.587 8.078 -3.785 1.00 0.55 C ATOM 1531 CE1 HIS X 89 -1.304 6.417 -3.239 1.00 44.21 C ATOM 1532 NE2 HIS X 89 -2.124 6.837 -4.204 1.00 4.33 N ATOM 0 H HIS X 89 -1.735 9.299 0.733 1.00 31.35 H new ATOM 0 HA HIS X 89 -3.948 10.348 -0.778 1.00 5.44 H new ATOM 0 HB2 HIS X 89 -2.305 10.493 -2.317 1.00 2.51 H new ATOM 0 HB3 HIS X 89 -1.215 9.767 -1.152 1.00 2.51 H new ATOM 0 HD1 HIS X 89 -0.662 7.216 -1.387 1.00 43.44 H new ATOM 0 HD2 HIS X 89 -3.277 8.703 -4.333 1.00 0.55 H new ATOM 0 HE1 HIS X 89 -0.773 5.477 -3.260 1.00 44.21 H new ATOM 1541 N ASN X 90 -3.877 7.142 -0.335 1.00 33.24 N ATOM 1542 CA ASN X 90 -4.666 5.897 -0.560 1.00 34.44 C ATOM 1543 C ASN X 90 -6.083 6.095 -0.011 1.00 43.01 C ATOM 1544 O ASN X 90 -7.061 5.722 -0.632 1.00 54.24 O ATOM 1545 CB ASN X 90 -3.993 4.746 0.187 1.00 73.41 C ATOM 1546 CG ASN X 90 -4.416 3.402 -0.411 1.00 31.52 C ATOM 1547 OD1 ASN X 90 -3.826 2.962 -1.488 1.00 52.44 O flip ATOM 1548 ND2 ASN X 90 -5.287 2.739 0.119 1.00 43.21 N flip ATOM 0 H ASN X 90 -3.140 7.064 0.365 1.00 33.24 H new ATOM 0 HA ASN X 90 -4.714 5.672 -1.625 1.00 34.44 H new ATOM 0 HB2 ASN X 90 -2.910 4.852 0.130 1.00 73.41 H new ATOM 0 HB3 ASN X 90 -4.262 4.782 1.243 1.00 73.41 H new ATOM 0 HD21 ASN X 90 -5.748 3.083 0.961 1.00 43.21 H new ATOM 0 HD22 ASN X 90 -5.556 1.839 -0.279 1.00 43.21 H new ATOM 1555 N LYS X 91 -6.196 6.685 1.152 1.00 32.33 N ATOM 1556 CA LYS X 91 -7.541 6.936 1.745 1.00 20.42 C ATOM 1557 C LYS X 91 -8.209 8.092 0.992 1.00 63.20 C ATOM 1558 O LYS X 91 -9.357 8.016 0.604 1.00 0.42 O ATOM 1559 CB LYS X 91 -7.396 7.321 3.228 1.00 40.45 C ATOM 1560 CG LYS X 91 -8.775 7.439 3.896 1.00 72.33 C ATOM 1561 CD LYS X 91 -8.597 7.692 5.402 1.00 21.03 C ATOM 1562 CE LYS X 91 -8.240 9.162 5.651 1.00 2.14 C ATOM 1563 NZ LYS X 91 -8.332 9.463 7.111 1.00 62.21 N ATOM 0 H LYS X 91 -5.410 7.004 1.718 1.00 32.33 H new ATOM 0 HA LYS X 91 -8.146 6.033 1.664 1.00 20.42 H new ATOM 0 HB2 LYS X 91 -6.798 6.572 3.747 1.00 40.45 H new ATOM 0 HB3 LYS X 91 -6.863 8.268 3.313 1.00 40.45 H new ATOM 0 HG2 LYS X 91 -9.341 8.254 3.444 1.00 72.33 H new ATOM 0 HG3 LYS X 91 -9.348 6.526 3.735 1.00 72.33 H new ATOM 0 HD2 LYS X 91 -9.515 7.438 5.932 1.00 21.03 H new ATOM 0 HD3 LYS X 91 -7.812 7.047 5.797 1.00 21.03 H new ATOM 0 HE2 LYS X 91 -7.232 9.367 5.291 1.00 2.14 H new ATOM 0 HE3 LYS X 91 -8.916 9.810 5.093 1.00 2.14 H new ATOM 0 HZ1 LYS X 91 -8.089 10.461 7.276 1.00 62.21 H new ATOM 0 HZ2 LYS X 91 -9.301 9.283 7.442 1.00 62.21 H new ATOM 0 HZ3 LYS X 91 -7.670 8.855 7.633 1.00 62.21 H new ATOM 1577 N ALA X 92 -7.498 9.170 0.806 1.00 21.32 N ATOM 1578 CA ALA X 92 -8.079 10.348 0.094 1.00 42.04 C ATOM 1579 C ALA X 92 -8.855 9.913 -1.155 1.00 33.21 C ATOM 1580 O ALA X 92 -10.035 10.175 -1.285 1.00 2.23 O ATOM 1581 CB ALA X 92 -6.951 11.282 -0.339 1.00 12.50 C ATOM 0 H ALA X 92 -6.534 9.288 1.118 1.00 21.32 H new ATOM 0 HA ALA X 92 -8.762 10.854 0.777 1.00 42.04 H new ATOM 0 HB1 ALA X 92 -7.371 12.143 -0.859 1.00 12.50 H new ATOM 0 HB2 ALA X 92 -6.402 11.621 0.539 1.00 12.50 H new ATOM 0 HB3 ALA X 92 -6.274 10.750 -1.007 1.00 12.50 H new ATOM 1587 N LEU X 93 -8.189 9.292 -2.095 1.00 71.31 N ATOM 1588 CA LEU X 93 -8.869 8.912 -3.367 1.00 42.45 C ATOM 1589 C LEU X 93 -9.884 7.792 -3.115 1.00 72.44 C ATOM 1590 O LEU X 93 -10.842 7.630 -3.848 1.00 45.13 O ATOM 1591 CB LEU X 93 -7.814 8.518 -4.421 1.00 44.10 C ATOM 1592 CG LEU X 93 -7.627 6.996 -4.535 1.00 31.02 C ATOM 1593 CD1 LEU X 93 -7.386 6.372 -3.160 1.00 54.54 C ATOM 1594 CD2 LEU X 93 -8.860 6.364 -5.182 1.00 74.41 C ATOM 0 H LEU X 93 -7.204 9.032 -2.035 1.00 71.31 H new ATOM 0 HA LEU X 93 -9.425 9.765 -3.756 1.00 42.45 H new ATOM 0 HB2 LEU X 93 -8.109 8.917 -5.391 1.00 44.10 H new ATOM 0 HB3 LEU X 93 -6.860 8.979 -4.164 1.00 44.10 H new ATOM 0 HG LEU X 93 -6.754 6.805 -5.159 1.00 31.02 H new ATOM 0 HD11 LEU X 93 -7.257 5.295 -3.267 1.00 54.54 H new ATOM 0 HD12 LEU X 93 -6.488 6.803 -2.717 1.00 54.54 H new ATOM 0 HD13 LEU X 93 -8.241 6.573 -2.515 1.00 54.54 H new ATOM 0 HD21 LEU X 93 -8.718 5.286 -5.259 1.00 74.41 H new ATOM 0 HD22 LEU X 93 -9.738 6.572 -4.571 1.00 74.41 H new ATOM 0 HD23 LEU X 93 -9.003 6.783 -6.178 1.00 74.41 H new ATOM 1606 N GLN X 94 -9.701 7.049 -2.066 1.00 51.33 N ATOM 1607 CA GLN X 94 -10.670 5.976 -1.716 1.00 23.03 C ATOM 1608 C GLN X 94 -12.033 6.613 -1.413 1.00 40.23 C ATOM 1609 O GLN X 94 -13.047 6.239 -1.971 1.00 53.40 O ATOM 1610 CB GLN X 94 -10.181 5.244 -0.466 1.00 63.41 C ATOM 1611 CG GLN X 94 -9.630 3.883 -0.859 1.00 73.30 C ATOM 1612 CD GLN X 94 -8.949 3.202 0.338 1.00 21.33 C ATOM 1613 OE1 GLN X 94 -7.661 2.996 0.307 1.00 53.33 O flip ATOM 1614 NE2 GLN X 94 -9.592 2.852 1.306 1.00 71.02 N flip ATOM 0 H GLN X 94 -8.912 7.139 -1.426 1.00 51.33 H new ATOM 0 HA GLN X 94 -10.759 5.276 -2.546 1.00 23.03 H new ATOM 0 HB2 GLN X 94 -9.410 5.830 0.033 1.00 63.41 H new ATOM 0 HB3 GLN X 94 -11.000 5.126 0.243 1.00 63.41 H new ATOM 0 HG2 GLN X 94 -10.438 3.252 -1.230 1.00 73.30 H new ATOM 0 HG3 GLN X 94 -8.915 3.997 -1.673 1.00 73.30 H new ATOM 0 HE21 GLN X 94 -10.599 3.011 1.334 1.00 71.02 H new ATOM 0 HE22 GLN X 94 -9.125 2.399 2.092 1.00 71.02 H new ATOM 1623 N LYS X 95 -12.054 7.568 -0.518 1.00 24.23 N ATOM 1624 CA LYS X 95 -13.335 8.245 -0.154 1.00 52.15 C ATOM 1625 C LYS X 95 -13.877 9.027 -1.356 1.00 54.22 C ATOM 1626 O LYS X 95 -15.062 9.025 -1.627 1.00 63.00 O ATOM 1627 CB LYS X 95 -13.094 9.231 1.001 1.00 20.40 C ATOM 1628 CG LYS X 95 -12.758 8.478 2.297 1.00 31.14 C ATOM 1629 CD LYS X 95 -12.580 9.487 3.440 1.00 23.44 C ATOM 1630 CE LYS X 95 -12.287 8.749 4.753 1.00 42.12 C ATOM 1631 NZ LYS X 95 -12.119 9.735 5.859 1.00 42.02 N ATOM 0 H LYS X 95 -11.232 7.910 -0.020 1.00 24.23 H new ATOM 0 HA LYS X 95 -14.055 7.484 0.147 1.00 52.15 H new ATOM 0 HB2 LYS X 95 -12.278 9.906 0.745 1.00 20.40 H new ATOM 0 HB3 LYS X 95 -13.981 9.846 1.152 1.00 20.40 H new ATOM 0 HG2 LYS X 95 -13.554 7.774 2.539 1.00 31.14 H new ATOM 0 HG3 LYS X 95 -11.846 7.895 2.166 1.00 31.14 H new ATOM 0 HD2 LYS X 95 -11.764 10.171 3.208 1.00 23.44 H new ATOM 0 HD3 LYS X 95 -13.481 10.091 3.546 1.00 23.44 H new ATOM 0 HE2 LYS X 95 -13.102 8.063 4.985 1.00 42.12 H new ATOM 0 HE3 LYS X 95 -11.384 8.147 4.649 1.00 42.12 H new ATOM 0 HZ1 LYS X 95 -11.921 9.231 6.747 1.00 42.02 H new ATOM 0 HZ2 LYS X 95 -11.327 10.372 5.639 1.00 42.02 H new ATOM 0 HZ3 LYS X 95 -12.992 10.291 5.964 1.00 42.02 H new ATOM 1645 N GLN X 96 -13.021 9.712 -2.065 1.00 11.40 N ATOM 1646 CA GLN X 96 -13.478 10.490 -3.256 1.00 62.05 C ATOM 1647 C GLN X 96 -13.995 9.530 -4.335 1.00 13.43 C ATOM 1648 O GLN X 96 -14.967 9.805 -5.011 1.00 11.03 O ATOM 1649 CB GLN X 96 -12.301 11.304 -3.810 1.00 64.24 C ATOM 1650 CG GLN X 96 -11.833 12.324 -2.765 1.00 13.52 C ATOM 1651 CD GLN X 96 -12.930 13.364 -2.525 1.00 51.13 C ATOM 1652 OE1 GLN X 96 -13.368 13.554 -1.407 1.00 64.43 O ATOM 1653 NE2 GLN X 96 -13.400 14.045 -3.533 1.00 43.13 N ATOM 0 H GLN X 96 -12.021 9.767 -1.871 1.00 11.40 H new ATOM 0 HA GLN X 96 -14.283 11.164 -2.964 1.00 62.05 H new ATOM 0 HB2 GLN X 96 -11.479 10.638 -4.074 1.00 64.24 H new ATOM 0 HB3 GLN X 96 -12.601 11.818 -4.723 1.00 64.24 H new ATOM 0 HG2 GLN X 96 -11.591 11.816 -1.831 1.00 13.52 H new ATOM 0 HG3 GLN X 96 -10.922 12.816 -3.106 1.00 13.52 H new ATOM 0 HE21 GLN X 96 -13.033 13.886 -4.471 1.00 43.13 H new ATOM 0 HE22 GLN X 96 -14.135 14.737 -3.383 1.00 43.13 H new ATOM 1662 N TYR X 97 -13.348 8.408 -4.502 1.00 45.25 N ATOM 1663 CA TYR X 97 -13.796 7.416 -5.527 1.00 62.35 C ATOM 1664 C TYR X 97 -15.203 6.911 -5.188 1.00 71.21 C ATOM 1665 O TYR X 97 -16.099 6.946 -6.010 1.00 32.33 O ATOM 1666 CB TYR X 97 -12.825 6.236 -5.524 1.00 1.13 C ATOM 1667 CG TYR X 97 -13.389 5.087 -6.329 1.00 3.32 C ATOM 1668 CD1 TYR X 97 -13.303 5.097 -7.726 1.00 13.24 C ATOM 1669 CD2 TYR X 97 -13.996 4.007 -5.673 1.00 74.04 C ATOM 1670 CE1 TYR X 97 -13.820 4.026 -8.466 1.00 34.51 C ATOM 1671 CE2 TYR X 97 -14.513 2.937 -6.413 1.00 72.10 C ATOM 1672 CZ TYR X 97 -14.428 2.948 -7.810 1.00 72.34 C ATOM 1673 OH TYR X 97 -14.935 1.892 -8.541 1.00 3.11 O ATOM 0 H TYR X 97 -12.523 8.133 -3.970 1.00 45.25 H new ATOM 0 HA TYR X 97 -13.815 7.889 -6.509 1.00 62.35 H new ATOM 0 HB2 TYR X 97 -11.866 6.545 -5.941 1.00 1.13 H new ATOM 0 HB3 TYR X 97 -12.638 5.913 -4.500 1.00 1.13 H new ATOM 0 HD1 TYR X 97 -12.838 5.930 -8.233 1.00 13.24 H new ATOM 0 HD2 TYR X 97 -14.065 4.000 -4.595 1.00 74.04 H new ATOM 0 HE1 TYR X 97 -13.750 4.031 -9.544 1.00 34.51 H new ATOM 0 HE2 TYR X 97 -14.977 2.104 -5.906 1.00 72.10 H new ATOM 0 HH TYR X 97 -15.321 1.228 -7.932 1.00 3.11 H new ATOM 1683 N LEU X 98 -15.398 6.430 -3.988 1.00 51.53 N ATOM 1684 CA LEU X 98 -16.742 5.913 -3.588 1.00 52.20 C ATOM 1685 C LEU X 98 -17.775 7.050 -3.658 1.00 31.31 C ATOM 1686 O LEU X 98 -18.895 6.855 -4.087 1.00 11.44 O ATOM 1687 CB LEU X 98 -16.691 5.382 -2.147 1.00 5.51 C ATOM 1688 CG LEU X 98 -15.837 4.107 -2.054 1.00 12.44 C ATOM 1689 CD1 LEU X 98 -15.763 3.674 -0.587 1.00 73.22 C ATOM 1690 CD2 LEU X 98 -16.473 2.978 -2.873 1.00 2.34 C ATOM 0 H LEU X 98 -14.682 6.372 -3.264 1.00 51.53 H new ATOM 0 HA LEU X 98 -17.025 5.109 -4.267 1.00 52.20 H new ATOM 0 HB2 LEU X 98 -16.279 6.147 -1.489 1.00 5.51 H new ATOM 0 HB3 LEU X 98 -17.702 5.172 -1.798 1.00 5.51 H new ATOM 0 HG LEU X 98 -14.841 4.312 -2.446 1.00 12.44 H new ATOM 0 HD11 LEU X 98 -15.160 2.770 -0.504 1.00 73.22 H new ATOM 0 HD12 LEU X 98 -15.308 4.469 0.004 1.00 73.22 H new ATOM 0 HD13 LEU X 98 -16.768 3.475 -0.215 1.00 73.22 H new ATOM 0 HD21 LEU X 98 -15.857 2.082 -2.797 1.00 2.34 H new ATOM 0 HD22 LEU X 98 -17.470 2.766 -2.488 1.00 2.34 H new ATOM 0 HD23 LEU X 98 -16.545 3.282 -3.917 1.00 2.34 H new ATOM 1702 N GLU X 99 -17.406 8.230 -3.233 1.00 14.35 N ATOM 1703 CA GLU X 99 -18.365 9.380 -3.258 1.00 3.22 C ATOM 1704 C GLU X 99 -18.743 9.701 -4.705 1.00 21.54 C ATOM 1705 O GLU X 99 -19.862 10.082 -4.995 1.00 51.21 O ATOM 1706 CB GLU X 99 -17.698 10.611 -2.634 1.00 41.04 C ATOM 1707 CG GLU X 99 -18.694 11.777 -2.562 1.00 60.54 C ATOM 1708 CD GLU X 99 -18.045 12.983 -1.883 1.00 62.22 C ATOM 1709 OE1 GLU X 99 -16.840 12.961 -1.709 1.00 53.14 O ATOM 1710 OE2 GLU X 99 -18.766 13.910 -1.553 1.00 11.11 O ATOM 0 H GLU X 99 -16.479 8.450 -2.868 1.00 14.35 H new ATOM 0 HA GLU X 99 -19.259 9.115 -2.694 1.00 3.22 H new ATOM 0 HB2 GLU X 99 -17.337 10.370 -1.634 1.00 41.04 H new ATOM 0 HB3 GLU X 99 -16.830 10.901 -3.225 1.00 41.04 H new ATOM 0 HG2 GLU X 99 -19.021 12.048 -3.566 1.00 60.54 H new ATOM 0 HG3 GLU X 99 -19.582 11.473 -2.008 1.00 60.54 H new ATOM 1717 N GLU X 100 -17.812 9.563 -5.613 1.00 61.42 N ATOM 1718 CA GLU X 100 -18.094 9.905 -7.038 1.00 12.32 C ATOM 1719 C GLU X 100 -18.871 8.766 -7.705 1.00 22.21 C ATOM 1720 O GLU X 100 -19.389 8.914 -8.795 1.00 2.34 O ATOM 1721 CB GLU X 100 -16.768 10.164 -7.775 1.00 31.35 C ATOM 1722 CG GLU X 100 -16.302 8.911 -8.523 1.00 22.13 C ATOM 1723 CD GLU X 100 -17.027 8.802 -9.866 1.00 62.51 C ATOM 1724 OE1 GLU X 100 -17.248 9.829 -10.485 1.00 61.44 O ATOM 1725 OE2 GLU X 100 -17.348 7.691 -10.252 1.00 22.23 O ATOM 0 H GLU X 100 -16.867 9.227 -5.428 1.00 61.42 H new ATOM 0 HA GLU X 100 -18.703 10.808 -7.083 1.00 12.32 H new ATOM 0 HB2 GLU X 100 -16.894 10.987 -8.479 1.00 31.35 H new ATOM 0 HB3 GLU X 100 -16.004 10.470 -7.060 1.00 31.35 H new ATOM 0 HG2 GLU X 100 -15.225 8.954 -8.685 1.00 22.13 H new ATOM 0 HG3 GLU X 100 -16.499 8.024 -7.921 1.00 22.13 H new ATOM 1732 N THR X 101 -18.974 7.640 -7.055 1.00 61.24 N ATOM 1733 CA THR X 101 -19.718 6.501 -7.660 1.00 12.42 C ATOM 1734 C THR X 101 -21.174 6.552 -7.188 1.00 22.32 C ATOM 1735 O THR X 101 -22.064 6.035 -7.834 1.00 34.52 O ATOM 1736 CB THR X 101 -19.084 5.180 -7.215 1.00 52.25 C ATOM 1737 OG1 THR X 101 -18.712 5.275 -5.849 1.00 14.03 O ATOM 1738 CG2 THR X 101 -17.847 4.889 -8.067 1.00 61.11 C ATOM 0 H THR X 101 -18.576 7.460 -6.133 1.00 61.24 H new ATOM 0 HA THR X 101 -19.678 6.571 -8.747 1.00 12.42 H new ATOM 0 HB THR X 101 -19.803 4.370 -7.341 1.00 52.25 H new ATOM 0 HG1 THR X 101 -19.273 5.943 -5.403 1.00 14.03 H new ATOM 0 HG21 THR X 101 -17.398 3.948 -7.748 1.00 61.11 H new ATOM 0 HG22 THR X 101 -18.136 4.816 -9.115 1.00 61.11 H new ATOM 0 HG23 THR X 101 -17.124 5.695 -7.946 1.00 61.11 H new ATOM 1746 N LEU X 102 -21.425 7.185 -6.070 1.00 21.54 N ATOM 1747 CA LEU X 102 -22.820 7.262 -5.548 1.00 51.35 C ATOM 1748 C LEU X 102 -23.429 8.606 -5.969 1.00 34.15 C ATOM 1749 O LEU X 102 -24.630 8.800 -5.923 1.00 25.44 O ATOM 1750 CB LEU X 102 -22.809 7.191 -4.011 1.00 11.21 C ATOM 1751 CG LEU X 102 -21.739 8.118 -3.418 1.00 63.43 C ATOM 1752 CD1 LEU X 102 -22.369 9.485 -3.133 1.00 31.43 C ATOM 1753 CD2 LEU X 102 -21.205 7.533 -2.108 1.00 42.04 C ATOM 0 H LEU X 102 -20.722 7.652 -5.497 1.00 21.54 H new ATOM 0 HA LEU X 102 -23.402 6.432 -5.948 1.00 51.35 H new ATOM 0 HB2 LEU X 102 -23.789 7.470 -3.625 1.00 11.21 H new ATOM 0 HB3 LEU X 102 -22.621 6.165 -3.693 1.00 11.21 H new ATOM 0 HG LEU X 102 -20.917 8.219 -4.127 1.00 63.43 H new ATOM 0 HD11 LEU X 102 -21.617 10.151 -2.711 1.00 31.43 H new ATOM 0 HD12 LEU X 102 -22.751 9.910 -4.061 1.00 31.43 H new ATOM 0 HD13 LEU X 102 -23.188 9.367 -2.424 1.00 31.43 H new ATOM 0 HD21 LEU X 102 -20.446 8.198 -1.695 1.00 42.04 H new ATOM 0 HD22 LEU X 102 -22.023 7.429 -1.396 1.00 42.04 H new ATOM 0 HD23 LEU X 102 -20.764 6.555 -2.299 1.00 42.04 H new ATOM 1765 N GLU X 103 -22.596 9.534 -6.367 1.00 4.00 N ATOM 1766 CA GLU X 103 -23.089 10.883 -6.795 1.00 23.43 C ATOM 1767 C GLU X 103 -23.763 10.816 -8.154 1.00 3.04 C ATOM 1768 O GLU X 103 -24.902 11.224 -8.331 1.00 71.20 O ATOM 1769 CB GLU X 103 -21.909 11.848 -6.947 1.00 51.34 C ATOM 1770 CG GLU X 103 -21.542 12.463 -5.600 1.00 51.21 C ATOM 1771 CD GLU X 103 -20.230 13.240 -5.746 1.00 21.11 C ATOM 1772 OE1 GLU X 103 -19.663 13.209 -6.822 1.00 13.43 O ATOM 1773 OE2 GLU X 103 -19.818 13.853 -4.775 1.00 62.22 O ATOM 0 H GLU X 103 -21.584 9.415 -6.415 1.00 4.00 H new ATOM 0 HA GLU X 103 -23.793 11.221 -6.034 1.00 23.43 H new ATOM 0 HB2 GLU X 103 -21.049 11.318 -7.357 1.00 51.34 H new ATOM 0 HB3 GLU X 103 -22.165 12.636 -7.655 1.00 51.34 H new ATOM 0 HG2 GLU X 103 -22.337 13.127 -5.261 1.00 51.21 H new ATOM 0 HG3 GLU X 103 -21.435 11.683 -4.847 1.00 51.21 H new