USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 762 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 TYR OH : rot 130:sc= 0 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -162:sc=0.000577 (180deg=0) USER MOD Set 2.1: A 24 GLN : amide:sc= 1.74 K(o=2.3,f=-6.9!) USER MOD Set 2.2: A 29 THR OG1 : rot -130:sc= 0.606 USER MOD Set 2.3: A 40 MET CE :methyl -177:sc= -0.0444 (180deg=-0.0717) USER MOD Set 3.1: A 21 LYS NZ :NH3+ 164:sc= 0.697 (180deg=-0.595) USER MOD Set 3.2: B 102 THR OG1 : rot 87:sc= 2.09 USER MOD Set 4.1: A 7 HIS : no HD1:sc= 1.06 K(o=3,f=-4.8!) USER MOD Set 4.2: A 12 GLN : amide:sc= 1.32 K(o=3,f=-5.9!) USER MOD Set 4.3: A 55 TYR OH : rot 118:sc= 0.653 USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= 0.83 (180deg=0.796) USER MOD Single : A 9 HIS : no HD1:sc= 0.272 K(o=0.27,f=-2.1!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00191 USER MOD Single : A 16 SER OG : rot 74:sc= 1.2 USER MOD Single : A 17 HIS : no HD1:sc= -0.0296 X(o=-0.03,f=-0.097) USER MOD Single : A 20 HIS : no HD1:sc= -0.323 K(o=-0.32,f=-1.5) USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0273) USER MOD Single : A 42 ASN : amide:sc= 0.715 K(o=0.72,f=-0.12) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0731) USER MOD Single : A 54 MET CE :methyl 154:sc= 0 (180deg=-0.425) USER MOD Single : A 57 SER OG : rot 76:sc= 1.12 USER MOD Single : A 59 ASN : amide:sc= 0.208 X(o=0.21,f=0) USER MOD Single : A 60 SER OG : rot -147:sc= 1.1 USER MOD Single : A 64 TYR OH : rot 20:sc= 1.06 USER MOD Single : A 65 TYR OH : rot -171:sc= 1.17 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0.0522 K(o=0.052,f=-2) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0.77 (180deg=0.77) USER MOD Single : B 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 101 SER OG : rot 72:sc= 1.24 USER MOD Single : B 104 ASN : amide:sc= 0.983 K(o=0.98,f=-0.0016) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 6.666 0.039 -4.957 1.00 10.00 N ATOM 51 CA LYS A 4 7.940 -0.604 -4.674 1.00 10.00 C ATOM 52 C LYS A 4 7.630 -2.070 -4.365 1.00 10.00 C ATOM 53 O LYS A 4 6.514 -2.362 -3.949 1.00 10.00 O ATOM 54 CB LYS A 4 8.560 0.040 -3.435 1.00 10.00 C ATOM 55 CG LYS A 4 8.846 1.541 -3.559 1.00 10.00 C ATOM 56 CD LYS A 4 10.077 1.829 -4.423 1.00 10.00 C ATOM 57 CE LYS A 4 10.544 3.258 -4.143 1.00 10.00 C ATOM 58 NZ LYS A 4 11.760 3.610 -4.892 1.00 10.00 N ATOM 0 HA LYS A 4 8.629 -0.507 -5.513 1.00 10.00 H new ATOM 0 HB2 LYS A 4 7.892 -0.118 -2.589 1.00 10.00 H new ATOM 0 HB3 LYS A 4 9.493 -0.474 -3.205 1.00 10.00 H new ATOM 0 HG2 LYS A 4 7.978 2.040 -3.990 1.00 10.00 H new ATOM 0 HG3 LYS A 4 8.995 1.963 -2.565 1.00 10.00 H new ATOM 0 HD2 LYS A 4 10.873 1.119 -4.197 1.00 10.00 H new ATOM 0 HD3 LYS A 4 9.835 1.710 -5.479 1.00 10.00 H new ATOM 0 HE2 LYS A 4 9.747 3.955 -4.402 1.00 10.00 H new ATOM 0 HE3 LYS A 4 10.733 3.373 -3.076 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 12.093 4.549 -4.592 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 12.500 2.904 -4.704 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 11.548 3.627 -5.910 1.00 10.00 H new ATOM 72 N GLY A 5 8.590 -2.991 -4.487 1.00 10.00 N ATOM 73 CA GLY A 5 8.368 -4.391 -4.117 1.00 10.00 C ATOM 74 C GLY A 5 7.697 -4.514 -2.743 1.00 10.00 C ATOM 75 O GLY A 5 6.632 -5.111 -2.588 1.00 10.00 O ATOM 0 H GLY A 5 9.527 -2.793 -4.839 1.00 10.00 H new ATOM 0 HA2 GLY A 5 7.745 -4.872 -4.871 1.00 10.00 H new ATOM 0 HA3 GLY A 5 9.321 -4.920 -4.106 1.00 10.00 H new ATOM 79 N TRP A 6 8.310 -3.882 -1.745 1.00 10.00 N ATOM 80 CA TRP A 6 7.852 -3.877 -0.362 1.00 10.00 C ATOM 81 C TRP A 6 6.463 -3.229 -0.170 1.00 10.00 C ATOM 82 O TRP A 6 5.815 -3.456 0.856 1.00 10.00 O ATOM 83 CB TRP A 6 8.947 -3.239 0.503 1.00 10.00 C ATOM 84 CG TRP A 6 9.272 -1.807 0.203 1.00 10.00 C ATOM 85 CD1 TRP A 6 10.143 -1.353 -0.730 1.00 10.00 C ATOM 86 CD2 TRP A 6 8.744 -0.620 0.858 1.00 10.00 C ATOM 87 NE1 TRP A 6 10.174 0.026 -0.700 1.00 10.00 N ATOM 88 CE2 TRP A 6 9.295 0.530 0.227 1.00 10.00 C ATOM 89 CE3 TRP A 6 7.863 -0.399 1.934 1.00 10.00 C ATOM 90 CZ2 TRP A 6 8.941 1.831 0.594 1.00 10.00 C ATOM 91 CZ3 TRP A 6 7.573 0.904 2.372 1.00 10.00 C ATOM 92 CH2 TRP A 6 8.079 2.018 1.680 1.00 10.00 C ATOM 0 H TRP A 6 9.165 -3.343 -1.883 1.00 10.00 H new ATOM 0 HA TRP A 6 7.693 -4.906 -0.039 1.00 10.00 H new ATOM 0 HB2 TRP A 6 8.645 -3.311 1.548 1.00 10.00 H new ATOM 0 HB3 TRP A 6 9.858 -3.828 0.394 1.00 10.00 H new ATOM 0 HD1 TRP A 6 10.724 -1.975 -1.395 1.00 10.00 H new ATOM 0 HE1 TRP A 6 10.775 0.599 -1.292 1.00 10.00 H new ATOM 0 HE3 TRP A 6 7.404 -1.242 2.429 1.00 10.00 H new ATOM 0 HZ2 TRP A 6 9.327 2.679 0.048 1.00 10.00 H new ATOM 0 HZ3 TRP A 6 6.957 1.051 3.247 1.00 10.00 H new ATOM 0 HH2 TRP A 6 7.803 3.016 1.986 1.00 10.00 H new ATOM 103 N HIS A 7 5.960 -2.473 -1.156 1.00 10.00 N ATOM 104 CA HIS A 7 4.595 -1.945 -1.145 1.00 10.00 C ATOM 105 C HIS A 7 3.568 -3.075 -1.071 1.00 10.00 C ATOM 106 O HIS A 7 2.471 -2.871 -0.559 1.00 10.00 O ATOM 107 CB HIS A 7 4.359 -1.068 -2.381 1.00 10.00 C ATOM 108 CG HIS A 7 3.049 -0.333 -2.419 1.00 10.00 C ATOM 109 ND1 HIS A 7 2.196 -0.316 -3.523 1.00 10.00 N ATOM 110 CD2 HIS A 7 2.560 0.495 -1.452 1.00 10.00 C ATOM 111 CE1 HIS A 7 1.178 0.483 -3.170 1.00 10.00 C ATOM 112 NE2 HIS A 7 1.373 0.989 -1.940 1.00 10.00 N ATOM 0 H HIS A 7 6.493 -2.211 -1.985 1.00 10.00 H new ATOM 0 HA HIS A 7 4.470 -1.330 -0.254 1.00 10.00 H new ATOM 0 HB2 HIS A 7 5.166 -0.338 -2.445 1.00 10.00 H new ATOM 0 HB3 HIS A 7 4.427 -1.697 -3.268 1.00 10.00 H new ATOM 0 HD2 HIS A 7 3.013 0.718 -0.497 1.00 10.00 H new ATOM 0 HE1 HIS A 7 0.318 0.691 -3.790 1.00 10.00 H new ATOM 0 HE2 HIS A 7 0.747 1.630 -1.452 1.00 10.00 H new ATOM 120 N GLU A 8 3.936 -4.278 -1.536 1.00 10.00 N ATOM 121 CA GLU A 8 3.182 -5.494 -1.350 1.00 10.00 C ATOM 122 C GLU A 8 2.739 -5.652 0.111 1.00 10.00 C ATOM 123 O GLU A 8 1.652 -6.159 0.378 1.00 10.00 O ATOM 124 CB GLU A 8 4.109 -6.622 -1.815 1.00 10.00 C ATOM 125 CG GLU A 8 3.438 -7.980 -1.749 1.00 10.00 C ATOM 126 CD GLU A 8 4.372 -9.092 -2.217 1.00 10.00 C ATOM 127 OE1 GLU A 8 5.256 -9.468 -1.414 1.00 10.00 O ATOM 128 OE2 GLU A 8 4.194 -9.539 -3.371 1.00 10.00 O ATOM 0 H GLU A 8 4.796 -4.420 -2.066 1.00 10.00 H new ATOM 0 HA GLU A 8 2.255 -5.498 -1.924 1.00 10.00 H new ATOM 0 HB2 GLU A 8 4.430 -6.427 -2.838 1.00 10.00 H new ATOM 0 HB3 GLU A 8 5.006 -6.631 -1.195 1.00 10.00 H new ATOM 0 HG2 GLU A 8 3.118 -8.179 -0.726 1.00 10.00 H new ATOM 0 HG3 GLU A 8 2.541 -7.973 -2.368 1.00 10.00 H new ATOM 135 N HIS A 9 3.593 -5.230 1.048 1.00 10.00 N ATOM 136 CA HIS A 9 3.375 -5.345 2.476 1.00 10.00 C ATOM 137 C HIS A 9 2.868 -4.024 3.049 1.00 10.00 C ATOM 138 O HIS A 9 1.869 -3.994 3.766 1.00 10.00 O ATOM 139 CB HIS A 9 4.677 -5.815 3.131 1.00 10.00 C ATOM 140 CG HIS A 9 5.065 -7.190 2.652 1.00 10.00 C ATOM 141 ND1 HIS A 9 4.534 -8.384 3.140 1.00 10.00 N ATOM 142 CD2 HIS A 9 5.728 -7.438 1.485 1.00 10.00 C ATOM 143 CE1 HIS A 9 4.896 -9.327 2.257 1.00 10.00 C ATOM 144 NE2 HIS A 9 5.600 -8.786 1.247 1.00 10.00 N ATOM 0 H HIS A 9 4.481 -4.786 0.816 1.00 10.00 H new ATOM 0 HA HIS A 9 2.601 -6.083 2.687 1.00 10.00 H new ATOM 0 HB2 HIS A 9 5.476 -5.109 2.904 1.00 10.00 H new ATOM 0 HB3 HIS A 9 4.559 -5.825 4.215 1.00 10.00 H new ATOM 0 HD2 HIS A 9 6.249 -6.719 0.871 1.00 10.00 H new ATOM 0 HE1 HIS A 9 4.655 -10.376 2.345 1.00 10.00 H new ATOM 0 HE2 HIS A 9 5.975 -9.289 0.443 1.00 10.00 H new ATOM 152 N VAL A 10 3.559 -2.921 2.754 1.00 10.00 N ATOM 153 CA VAL A 10 3.212 -1.627 3.336 1.00 10.00 C ATOM 154 C VAL A 10 2.018 -0.997 2.609 1.00 10.00 C ATOM 155 O VAL A 10 2.180 -0.248 1.648 1.00 10.00 O ATOM 156 CB VAL A 10 4.443 -0.711 3.422 1.00 10.00 C ATOM 157 CG1 VAL A 10 4.055 0.673 3.963 1.00 10.00 C ATOM 158 CG2 VAL A 10 5.467 -1.351 4.372 1.00 10.00 C ATOM 0 H VAL A 10 4.357 -2.899 2.119 1.00 10.00 H new ATOM 0 HA VAL A 10 2.885 -1.779 4.364 1.00 10.00 H new ATOM 0 HB VAL A 10 4.865 -0.589 2.424 1.00 10.00 H new ATOM 0 HG11 VAL A 10 4.942 1.305 4.015 1.00 10.00 H new ATOM 0 HG12 VAL A 10 3.322 1.131 3.299 1.00 10.00 H new ATOM 0 HG13 VAL A 10 3.626 0.567 4.959 1.00 10.00 H new ATOM 0 HG21 VAL A 10 6.347 -0.711 4.443 1.00 10.00 H new ATOM 0 HG22 VAL A 10 5.023 -1.468 5.360 1.00 10.00 H new ATOM 0 HG23 VAL A 10 5.759 -2.328 3.987 1.00 10.00 H new ATOM 168 N THR A 11 0.811 -1.283 3.101 1.00 10.00 N ATOM 169 CA THR A 11 -0.431 -0.771 2.548 1.00 10.00 C ATOM 170 C THR A 11 -0.629 0.723 2.808 1.00 10.00 C ATOM 171 O THR A 11 -0.079 1.312 3.741 1.00 10.00 O ATOM 172 CB THR A 11 -1.614 -1.551 3.136 1.00 10.00 C ATOM 173 OG1 THR A 11 -1.585 -1.471 4.549 1.00 10.00 O ATOM 174 CG2 THR A 11 -1.574 -3.013 2.694 1.00 10.00 C ATOM 0 H THR A 11 0.674 -1.889 3.910 1.00 10.00 H new ATOM 0 HA THR A 11 -0.378 -0.905 1.468 1.00 10.00 H new ATOM 0 HB THR A 11 -2.539 -1.108 2.768 1.00 10.00 H new ATOM 0 HG1 THR A 11 -2.343 -1.969 4.920 1.00 10.00 H new ATOM 0 HG21 THR A 11 -2.422 -3.546 3.123 1.00 10.00 H new ATOM 0 HG22 THR A 11 -1.625 -3.066 1.606 1.00 10.00 H new ATOM 0 HG23 THR A 11 -0.646 -3.471 3.037 1.00 10.00 H new ATOM 182 N GLN A 12 -1.509 1.318 2.000 1.00 10.00 N ATOM 183 CA GLN A 12 -1.944 2.698 2.131 1.00 10.00 C ATOM 184 C GLN A 12 -2.436 3.019 3.545 1.00 10.00 C ATOM 185 O GLN A 12 -2.154 4.091 4.070 1.00 10.00 O ATOM 186 CB GLN A 12 -3.015 2.987 1.077 1.00 10.00 C ATOM 187 CG GLN A 12 -2.488 2.890 -0.368 1.00 10.00 C ATOM 188 CD GLN A 12 -1.212 3.695 -0.620 1.00 10.00 C ATOM 189 OE1 GLN A 12 -0.192 3.147 -1.031 1.00 10.00 O ATOM 190 NE2 GLN A 12 -1.233 4.997 -0.353 1.00 10.00 N ATOM 0 H GLN A 12 -1.947 0.834 1.216 1.00 10.00 H new ATOM 0 HA GLN A 12 -1.089 3.351 1.960 1.00 10.00 H new ATOM 0 HB2 GLN A 12 -3.839 2.285 1.204 1.00 10.00 H new ATOM 0 HB3 GLN A 12 -3.419 3.986 1.243 1.00 10.00 H new ATOM 0 HG2 GLN A 12 -2.298 1.843 -0.605 1.00 10.00 H new ATOM 0 HG3 GLN A 12 -3.264 3.235 -1.051 1.00 10.00 H new ATOM 0 HE21 GLN A 12 -2.089 5.434 -0.013 1.00 10.00 H new ATOM 0 HE22 GLN A 12 -0.393 5.559 -0.489 1.00 10.00 H new ATOM 199 N ASP A 13 -3.161 2.093 4.169 1.00 10.00 N ATOM 200 CA ASP A 13 -3.584 2.202 5.563 1.00 10.00 C ATOM 201 C ASP A 13 -2.383 2.403 6.503 1.00 10.00 C ATOM 202 O ASP A 13 -2.395 3.310 7.336 1.00 10.00 O ATOM 203 CB ASP A 13 -4.397 0.950 5.924 1.00 10.00 C ATOM 204 CG ASP A 13 -4.906 0.968 7.362 1.00 10.00 C ATOM 205 OD1 ASP A 13 -5.454 2.017 7.762 1.00 10.00 O ATOM 206 OD2 ASP A 13 -4.741 -0.075 8.033 1.00 10.00 O ATOM 0 H ASP A 13 -3.475 1.235 3.715 1.00 10.00 H new ATOM 0 HA ASP A 13 -4.212 3.084 5.689 1.00 10.00 H new ATOM 0 HB2 ASP A 13 -5.245 0.865 5.245 1.00 10.00 H new ATOM 0 HB3 ASP A 13 -3.778 0.065 5.774 1.00 10.00 H new ATOM 211 N LEU A 14 -1.328 1.592 6.364 1.00 10.00 N ATOM 212 CA LEU A 14 -0.118 1.770 7.163 1.00 10.00 C ATOM 213 C LEU A 14 0.486 3.146 6.880 1.00 10.00 C ATOM 214 O LEU A 14 0.759 3.902 7.808 1.00 10.00 O ATOM 215 CB LEU A 14 0.870 0.615 6.921 1.00 10.00 C ATOM 216 CG LEU A 14 2.228 0.752 7.638 1.00 10.00 C ATOM 217 CD1 LEU A 14 2.147 1.145 9.120 1.00 10.00 C ATOM 218 CD2 LEU A 14 2.975 -0.584 7.548 1.00 10.00 C ATOM 0 H LEU A 14 -1.291 0.811 5.709 1.00 10.00 H new ATOM 0 HA LEU A 14 -0.367 1.737 8.224 1.00 10.00 H new ATOM 0 HB2 LEU A 14 0.401 -0.316 7.240 1.00 10.00 H new ATOM 0 HB3 LEU A 14 1.050 0.530 5.849 1.00 10.00 H new ATOM 0 HG LEU A 14 2.744 1.566 7.128 1.00 10.00 H new ATOM 0 HD11 LEU A 14 3.153 1.215 9.533 1.00 10.00 H new ATOM 0 HD12 LEU A 14 1.648 2.109 9.214 1.00 10.00 H new ATOM 0 HD13 LEU A 14 1.582 0.390 9.666 1.00 10.00 H new ATOM 0 HD21 LEU A 14 3.937 -0.497 8.052 1.00 10.00 H new ATOM 0 HD22 LEU A 14 2.383 -1.365 8.026 1.00 10.00 H new ATOM 0 HD23 LEU A 14 3.136 -0.841 6.501 1.00 10.00 H new ATOM 230 N ARG A 15 0.650 3.499 5.603 1.00 10.00 N ATOM 231 CA ARG A 15 1.151 4.819 5.221 1.00 10.00 C ATOM 232 C ARG A 15 0.343 5.933 5.910 1.00 10.00 C ATOM 233 O ARG A 15 0.911 6.855 6.493 1.00 10.00 O ATOM 234 CB ARG A 15 1.139 4.974 3.695 1.00 10.00 C ATOM 235 CG ARG A 15 2.005 3.911 3.000 1.00 10.00 C ATOM 236 CD ARG A 15 1.906 4.030 1.480 1.00 10.00 C ATOM 237 NE ARG A 15 2.471 5.293 1.003 1.00 10.00 N ATOM 238 CZ ARG A 15 2.582 5.632 -0.286 1.00 10.00 C ATOM 239 NH1 ARG A 15 1.993 4.901 -1.238 1.00 10.00 N ATOM 240 NH2 ARG A 15 3.301 6.710 -0.607 1.00 10.00 N ATOM 0 H ARG A 15 0.442 2.886 4.815 1.00 10.00 H new ATOM 0 HA ARG A 15 2.183 4.911 5.558 1.00 10.00 H new ATOM 0 HB2 ARG A 15 0.114 4.901 3.331 1.00 10.00 H new ATOM 0 HB3 ARG A 15 1.501 5.967 3.429 1.00 10.00 H new ATOM 0 HG2 ARG A 15 3.044 4.024 3.310 1.00 10.00 H new ATOM 0 HG3 ARG A 15 1.686 2.917 3.312 1.00 10.00 H new ATOM 0 HD2 ARG A 15 2.431 3.196 1.014 1.00 10.00 H new ATOM 0 HD3 ARG A 15 0.862 3.959 1.176 1.00 10.00 H new ATOM 0 HE ARG A 15 2.802 5.959 1.700 1.00 10.00 H new ATOM 0 HH11 ARG A 15 1.452 4.074 -0.985 1.00 10.00 H new ATOM 0 HH12 ARG A 15 2.085 5.170 -2.218 1.00 10.00 H new ATOM 0 HH21 ARG A 15 3.753 7.258 0.125 1.00 10.00 H new ATOM 0 HH22 ARG A 15 3.398 6.986 -1.584 1.00 10.00 H new ATOM 254 N SER A 16 -0.986 5.825 5.878 1.00 10.00 N ATOM 255 CA SER A 16 -1.907 6.756 6.515 1.00 10.00 C ATOM 256 C SER A 16 -1.652 6.850 8.023 1.00 10.00 C ATOM 257 O SER A 16 -1.551 7.945 8.575 1.00 10.00 O ATOM 258 CB SER A 16 -3.350 6.337 6.211 1.00 10.00 C ATOM 259 OG SER A 16 -3.571 6.336 4.814 1.00 10.00 O ATOM 0 H SER A 16 -1.461 5.064 5.393 1.00 10.00 H new ATOM 0 HA SER A 16 -1.740 7.753 6.107 1.00 10.00 H new ATOM 0 HB2 SER A 16 -3.542 5.344 6.618 1.00 10.00 H new ATOM 0 HB3 SER A 16 -4.046 7.021 6.697 1.00 10.00 H new ATOM 0 HG SER A 16 -3.123 5.562 4.413 1.00 10.00 H new ATOM 265 N HIS A 17 -1.544 5.708 8.706 1.00 10.00 N ATOM 266 CA HIS A 17 -1.266 5.709 10.137 1.00 10.00 C ATOM 267 C HIS A 17 0.109 6.329 10.414 1.00 10.00 C ATOM 268 O HIS A 17 0.270 7.080 11.369 1.00 10.00 O ATOM 269 CB HIS A 17 -1.381 4.286 10.686 1.00 10.00 C ATOM 270 CG HIS A 17 -1.413 4.149 12.193 1.00 10.00 C ATOM 271 ND1 HIS A 17 -1.429 2.925 12.865 1.00 10.00 N ATOM 272 CD2 HIS A 17 -1.559 5.157 13.106 1.00 10.00 C ATOM 273 CE1 HIS A 17 -1.570 3.224 14.163 1.00 10.00 C ATOM 274 NE2 HIS A 17 -1.651 4.554 14.338 1.00 10.00 N ATOM 0 H HIS A 17 -1.644 4.781 8.293 1.00 10.00 H new ATOM 0 HA HIS A 17 -2.003 6.324 10.653 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -2.288 3.836 10.282 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -0.541 3.704 10.307 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -1.595 6.217 12.900 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -1.613 2.496 14.960 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -1.762 5.034 15.231 1.00 10.00 H new ATOM 282 N LEU A 18 1.110 6.057 9.577 1.00 10.00 N ATOM 283 CA LEU A 18 2.423 6.676 9.713 1.00 10.00 C ATOM 284 C LEU A 18 2.329 8.200 9.548 1.00 10.00 C ATOM 285 O LEU A 18 2.864 8.936 10.370 1.00 10.00 O ATOM 286 CB LEU A 18 3.419 6.023 8.747 1.00 10.00 C ATOM 287 CG LEU A 18 3.764 4.579 9.147 1.00 10.00 C ATOM 288 CD1 LEU A 18 4.483 3.900 7.983 1.00 10.00 C ATOM 289 CD2 LEU A 18 4.670 4.495 10.377 1.00 10.00 C ATOM 0 H LEU A 18 1.033 5.408 8.794 1.00 10.00 H new ATOM 0 HA LEU A 18 2.802 6.504 10.720 1.00 10.00 H new ATOM 0 HB2 LEU A 18 3.001 6.028 7.740 1.00 10.00 H new ATOM 0 HB3 LEU A 18 4.333 6.616 8.716 1.00 10.00 H new ATOM 0 HG LEU A 18 2.823 4.086 9.392 1.00 10.00 H new ATOM 0 HD11 LEU A 18 4.732 2.875 8.257 1.00 10.00 H new ATOM 0 HD12 LEU A 18 3.833 3.894 7.108 1.00 10.00 H new ATOM 0 HD13 LEU A 18 5.398 4.446 7.752 1.00 10.00 H new ATOM 0 HD21 LEU A 18 4.876 3.450 10.607 1.00 10.00 H new ATOM 0 HD22 LEU A 18 5.607 5.013 10.175 1.00 10.00 H new ATOM 0 HD23 LEU A 18 4.173 4.962 11.227 1.00 10.00 H new ATOM 301 N VAL A 19 1.618 8.695 8.533 1.00 10.00 N ATOM 302 CA VAL A 19 1.285 10.115 8.404 1.00 10.00 C ATOM 303 C VAL A 19 0.663 10.635 9.709 1.00 10.00 C ATOM 304 O VAL A 19 1.124 11.630 10.268 1.00 10.00 O ATOM 305 CB VAL A 19 0.390 10.338 7.167 1.00 10.00 C ATOM 306 CG1 VAL A 19 -0.298 11.707 7.129 1.00 10.00 C ATOM 307 CG2 VAL A 19 1.219 10.191 5.885 1.00 10.00 C ATOM 0 H VAL A 19 1.255 8.119 7.773 1.00 10.00 H new ATOM 0 HA VAL A 19 2.192 10.698 8.241 1.00 10.00 H new ATOM 0 HB VAL A 19 -0.390 9.580 7.236 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -0.908 11.783 6.229 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -0.933 11.820 8.008 1.00 10.00 H new ATOM 0 HG13 VAL A 19 0.457 12.493 7.124 1.00 10.00 H new ATOM 0 HG21 VAL A 19 0.579 10.350 5.017 1.00 10.00 H new ATOM 0 HG22 VAL A 19 2.021 10.929 5.884 1.00 10.00 H new ATOM 0 HG23 VAL A 19 1.647 9.189 5.841 1.00 10.00 H new ATOM 317 N HIS A 20 -0.363 9.954 10.225 1.00 10.00 N ATOM 318 CA HIS A 20 -0.948 10.289 11.520 1.00 10.00 C ATOM 319 C HIS A 20 0.128 10.378 12.614 1.00 10.00 C ATOM 320 O HIS A 20 0.143 11.366 13.350 1.00 10.00 O ATOM 321 CB HIS A 20 -2.077 9.305 11.851 1.00 10.00 C ATOM 322 CG HIS A 20 -2.545 9.308 13.283 1.00 10.00 C ATOM 323 ND1 HIS A 20 -1.828 8.803 14.369 1.00 10.00 N ATOM 324 CD2 HIS A 20 -3.806 9.627 13.690 1.00 10.00 C ATOM 325 CE1 HIS A 20 -2.666 8.869 15.414 1.00 10.00 C ATOM 326 NE2 HIS A 20 -3.858 9.364 15.039 1.00 10.00 N ATOM 0 H HIS A 20 -0.807 9.162 9.760 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.394 11.283 11.470 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.929 9.528 11.209 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -1.743 8.299 11.599 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -4.606 10.011 13.075 1.00 10.00 H new ATOM 0 HE1 HIS A 20 -2.417 8.566 16.420 1.00 10.00 H new ATOM 0 HE2 HIS A 20 -4.661 9.518 15.649 1.00 10.00 H new ATOM 334 N LYS A 21 1.036 9.395 12.705 1.00 10.00 N ATOM 335 CA LYS A 21 2.150 9.412 13.652 1.00 10.00 C ATOM 336 C LYS A 21 3.027 10.651 13.458 1.00 10.00 C ATOM 337 O LYS A 21 3.371 11.298 14.445 1.00 10.00 O ATOM 338 CB LYS A 21 3.026 8.151 13.571 1.00 10.00 C ATOM 339 CG LYS A 21 2.391 6.833 14.029 1.00 10.00 C ATOM 340 CD LYS A 21 1.983 6.860 15.509 1.00 10.00 C ATOM 341 CE LYS A 21 1.643 5.458 16.033 1.00 10.00 C ATOM 342 NZ LYS A 21 2.819 4.568 16.062 1.00 10.00 N ATOM 0 H LYS A 21 1.014 8.562 12.117 1.00 10.00 H new ATOM 0 HA LYS A 21 1.694 9.438 14.642 1.00 10.00 H new ATOM 0 HB2 LYS A 21 3.351 8.030 12.538 1.00 10.00 H new ATOM 0 HB3 LYS A 21 3.922 8.321 14.169 1.00 10.00 H new ATOM 0 HG2 LYS A 21 1.513 6.624 13.417 1.00 10.00 H new ATOM 0 HG3 LYS A 21 3.095 6.018 13.864 1.00 10.00 H new ATOM 0 HD2 LYS A 21 2.794 7.283 16.102 1.00 10.00 H new ATOM 0 HD3 LYS A 21 1.121 7.514 15.636 1.00 10.00 H new ATOM 0 HE2 LYS A 21 1.228 5.539 17.037 1.00 10.00 H new ATOM 0 HE3 LYS A 21 0.871 5.015 15.404 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 2.615 3.743 16.661 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 3.037 4.249 15.096 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 3.635 5.084 16.449 1.00 10.00 H new ATOM 356 N LEU A 22 3.398 10.986 12.215 1.00 10.00 N ATOM 357 CA LEU A 22 4.144 12.209 11.929 1.00 10.00 C ATOM 358 C LEU A 22 3.428 13.397 12.571 1.00 10.00 C ATOM 359 O LEU A 22 4.040 14.147 13.334 1.00 10.00 O ATOM 360 CB LEU A 22 4.318 12.451 10.420 1.00 10.00 C ATOM 361 CG LEU A 22 5.160 11.431 9.641 1.00 10.00 C ATOM 362 CD1 LEU A 22 5.162 11.838 8.167 1.00 10.00 C ATOM 363 CD2 LEU A 22 6.610 11.419 10.133 1.00 10.00 C ATOM 0 H LEU A 22 3.190 10.421 11.391 1.00 10.00 H new ATOM 0 HA LEU A 22 5.143 12.097 12.350 1.00 10.00 H new ATOM 0 HB2 LEU A 22 3.327 12.488 9.967 1.00 10.00 H new ATOM 0 HB3 LEU A 22 4.768 13.435 10.285 1.00 10.00 H new ATOM 0 HG LEU A 22 4.731 10.440 9.786 1.00 10.00 H new ATOM 0 HD11 LEU A 22 5.755 11.126 7.594 1.00 10.00 H new ATOM 0 HD12 LEU A 22 4.139 11.845 7.790 1.00 10.00 H new ATOM 0 HD13 LEU A 22 5.593 12.834 8.065 1.00 10.00 H new ATOM 0 HD21 LEU A 22 7.182 10.687 9.563 1.00 10.00 H new ATOM 0 HD22 LEU A 22 7.049 12.408 9.997 1.00 10.00 H new ATOM 0 HD23 LEU A 22 6.633 11.154 11.190 1.00 10.00 H new ATOM 375 N VAL A 23 2.126 13.548 12.293 1.00 10.00 N ATOM 376 CA VAL A 23 1.349 14.606 12.924 1.00 10.00 C ATOM 377 C VAL A 23 1.468 14.502 14.447 1.00 10.00 C ATOM 378 O VAL A 23 1.841 15.488 15.062 1.00 10.00 O ATOM 379 CB VAL A 23 -0.114 14.653 12.448 1.00 10.00 C ATOM 380 CG1 VAL A 23 -0.852 15.840 13.092 1.00 10.00 C ATOM 381 CG2 VAL A 23 -0.209 14.805 10.925 1.00 10.00 C ATOM 0 H VAL A 23 1.602 12.959 11.646 1.00 10.00 H new ATOM 0 HA VAL A 23 1.773 15.560 12.609 1.00 10.00 H new ATOM 0 HB VAL A 23 -0.573 13.710 12.746 1.00 10.00 H new ATOM 0 HG11 VAL A 23 -1.885 15.858 12.744 1.00 10.00 H new ATOM 0 HG12 VAL A 23 -0.836 15.733 14.177 1.00 10.00 H new ATOM 0 HG13 VAL A 23 -0.359 16.771 12.812 1.00 10.00 H new ATOM 0 HG21 VAL A 23 -1.257 14.834 10.627 1.00 10.00 H new ATOM 0 HG22 VAL A 23 0.281 15.730 10.620 1.00 10.00 H new ATOM 0 HG23 VAL A 23 0.282 13.959 10.444 1.00 10.00 H new ATOM 391 N GLN A 24 1.193 13.342 15.056 1.00 10.00 N ATOM 392 CA GLN A 24 1.211 13.182 16.512 1.00 10.00 C ATOM 393 C GLN A 24 2.541 13.633 17.118 1.00 10.00 C ATOM 394 O GLN A 24 2.566 14.377 18.098 1.00 10.00 O ATOM 395 CB GLN A 24 0.937 11.724 16.931 1.00 10.00 C ATOM 396 CG GLN A 24 -0.409 11.129 16.493 1.00 10.00 C ATOM 397 CD GLN A 24 -1.497 12.182 16.352 1.00 10.00 C ATOM 398 OE1 GLN A 24 -2.055 12.625 17.351 1.00 10.00 O ATOM 399 NE2 GLN A 24 -1.776 12.622 15.131 1.00 10.00 N ATOM 0 H GLN A 24 0.952 12.489 14.552 1.00 10.00 H new ATOM 0 HA GLN A 24 0.413 13.818 16.895 1.00 10.00 H new ATOM 0 HB2 GLN A 24 1.734 11.098 16.530 1.00 10.00 H new ATOM 0 HB3 GLN A 24 1.000 11.663 18.017 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -0.282 10.614 15.541 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -0.725 10.381 17.220 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -1.291 12.229 14.324 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -2.475 13.353 15.000 1.00 10.00 H new ATOM 408 N ALA A 25 3.646 13.140 16.560 1.00 10.00 N ATOM 409 CA ALA A 25 4.973 13.355 17.110 1.00 10.00 C ATOM 410 C ALA A 25 5.353 14.834 17.093 1.00 10.00 C ATOM 411 O ALA A 25 6.012 15.303 18.019 1.00 10.00 O ATOM 412 CB ALA A 25 5.986 12.503 16.345 1.00 10.00 C ATOM 0 H ALA A 25 3.640 12.578 15.709 1.00 10.00 H new ATOM 0 HA ALA A 25 4.976 13.046 18.155 1.00 10.00 H new ATOM 0 HB1 ALA A 25 6.982 12.664 16.757 1.00 10.00 H new ATOM 0 HB2 ALA A 25 5.720 11.450 16.439 1.00 10.00 H new ATOM 0 HB3 ALA A 25 5.979 12.787 15.293 1.00 10.00 H new ATOM 418 N ILE A 26 4.950 15.568 16.054 1.00 10.00 N ATOM 419 CA ILE A 26 5.128 17.013 15.992 1.00 10.00 C ATOM 420 C ILE A 26 4.122 17.699 16.928 1.00 10.00 C ATOM 421 O ILE A 26 4.484 18.536 17.752 1.00 10.00 O ATOM 422 CB ILE A 26 4.943 17.481 14.532 1.00 10.00 C ATOM 423 CG1 ILE A 26 5.966 16.796 13.605 1.00 10.00 C ATOM 424 CG2 ILE A 26 5.075 19.010 14.431 1.00 10.00 C ATOM 425 CD1 ILE A 26 5.629 16.977 12.120 1.00 10.00 C ATOM 0 H ILE A 26 4.491 15.173 15.233 1.00 10.00 H new ATOM 0 HA ILE A 26 6.132 17.284 16.320 1.00 10.00 H new ATOM 0 HB ILE A 26 3.941 17.197 14.211 1.00 10.00 H new ATOM 0 HG12 ILE A 26 6.958 17.203 13.801 1.00 10.00 H new ATOM 0 HG13 ILE A 26 6.006 15.732 13.838 1.00 10.00 H new ATOM 0 HG21 ILE A 26 4.941 19.319 13.394 1.00 10.00 H new ATOM 0 HG22 ILE A 26 4.314 19.483 15.052 1.00 10.00 H new ATOM 0 HG23 ILE A 26 6.064 19.313 14.775 1.00 10.00 H new ATOM 0 HD11 ILE A 26 6.382 16.475 11.512 1.00 10.00 H new ATOM 0 HD12 ILE A 26 4.649 16.546 11.914 1.00 10.00 H new ATOM 0 HD13 ILE A 26 5.616 18.039 11.877 1.00 10.00 H new ATOM 437 N PHE A 27 2.846 17.357 16.748 1.00 10.00 N ATOM 438 CA PHE A 27 1.663 17.979 17.319 1.00 10.00 C ATOM 439 C PHE A 27 0.674 16.894 17.785 1.00 10.00 C ATOM 440 O PHE A 27 -0.039 16.320 16.959 1.00 10.00 O ATOM 441 CB PHE A 27 1.036 18.845 16.215 1.00 10.00 C ATOM 442 CG PHE A 27 -0.029 19.819 16.678 1.00 10.00 C ATOM 443 CD1 PHE A 27 -1.294 19.354 17.086 1.00 10.00 C ATOM 444 CD2 PHE A 27 0.209 21.204 16.597 1.00 10.00 C ATOM 445 CE1 PHE A 27 -2.292 20.264 17.465 1.00 10.00 C ATOM 446 CE2 PHE A 27 -0.799 22.115 16.956 1.00 10.00 C ATOM 447 CZ PHE A 27 -2.045 21.646 17.405 1.00 10.00 C ATOM 0 H PHE A 27 2.599 16.571 16.147 1.00 10.00 H new ATOM 0 HA PHE A 27 1.916 18.589 18.186 1.00 10.00 H new ATOM 0 HB2 PHE A 27 1.830 19.408 15.723 1.00 10.00 H new ATOM 0 HB3 PHE A 27 0.600 18.186 15.464 1.00 10.00 H new ATOM 0 HD1 PHE A 27 -1.496 18.293 17.107 1.00 10.00 H new ATOM 0 HD2 PHE A 27 1.168 21.567 16.258 1.00 10.00 H new ATOM 0 HE1 PHE A 27 -3.252 19.902 17.803 1.00 10.00 H new ATOM 0 HE2 PHE A 27 -0.616 23.177 16.887 1.00 10.00 H new ATOM 0 HZ PHE A 27 -2.811 22.346 17.703 1.00 10.00 H new ATOM 457 N PRO A 28 0.573 16.611 19.092 1.00 10.00 N ATOM 458 CA PRO A 28 -0.278 15.544 19.598 1.00 10.00 C ATOM 459 C PRO A 28 -1.749 15.890 19.346 1.00 10.00 C ATOM 460 O PRO A 28 -2.304 16.783 19.983 1.00 10.00 O ATOM 461 CB PRO A 28 0.065 15.428 21.083 1.00 10.00 C ATOM 462 CG PRO A 28 0.535 16.834 21.448 1.00 10.00 C ATOM 463 CD PRO A 28 1.245 17.300 20.178 1.00 10.00 C ATOM 0 HA PRO A 28 -0.114 14.588 19.101 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -0.801 15.128 21.673 1.00 10.00 H new ATOM 0 HB3 PRO A 28 0.844 14.686 21.259 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -0.301 17.485 21.705 1.00 10.00 H new ATOM 0 HG3 PRO A 28 1.207 16.825 22.306 1.00 10.00 H new ATOM 0 HD2 PRO A 28 1.174 18.381 20.062 1.00 10.00 H new ATOM 0 HD3 PRO A 28 2.306 17.051 20.206 1.00 10.00 H new ATOM 471 N THR A 29 -2.385 15.212 18.389 1.00 10.00 N ATOM 472 CA THR A 29 -3.737 15.542 17.971 1.00 10.00 C ATOM 473 C THR A 29 -4.725 15.068 19.046 1.00 10.00 C ATOM 474 O THR A 29 -4.601 13.932 19.505 1.00 10.00 O ATOM 475 CB THR A 29 -4.023 14.882 16.616 1.00 10.00 C ATOM 476 OG1 THR A 29 -2.953 15.104 15.711 1.00 10.00 O ATOM 477 CG2 THR A 29 -5.303 15.431 15.990 1.00 10.00 C ATOM 0 H THR A 29 -1.975 14.424 17.888 1.00 10.00 H new ATOM 0 HA THR A 29 -3.849 16.620 17.854 1.00 10.00 H new ATOM 0 HB THR A 29 -4.138 13.814 16.802 1.00 10.00 H new ATOM 0 HG1 THR A 29 -3.308 15.439 14.861 1.00 10.00 H new ATOM 0 HG21 THR A 29 -5.477 14.943 15.031 1.00 10.00 H new ATOM 0 HG22 THR A 29 -6.145 15.237 16.654 1.00 10.00 H new ATOM 0 HG23 THR A 29 -5.201 16.505 15.837 1.00 10.00 H new ATOM 485 N PRO A 30 -5.701 15.893 19.460 1.00 10.00 N ATOM 486 CA PRO A 30 -6.640 15.526 20.510 1.00 10.00 C ATOM 487 C PRO A 30 -7.550 14.366 20.091 1.00 10.00 C ATOM 488 O PRO A 30 -7.828 13.485 20.900 1.00 10.00 O ATOM 489 CB PRO A 30 -7.424 16.803 20.833 1.00 10.00 C ATOM 490 CG PRO A 30 -7.306 17.642 19.562 1.00 10.00 C ATOM 491 CD PRO A 30 -5.928 17.262 19.023 1.00 10.00 C ATOM 0 HA PRO A 30 -6.121 15.156 21.394 1.00 10.00 H new ATOM 0 HB2 PRO A 30 -8.465 16.583 21.070 1.00 10.00 H new ATOM 0 HB3 PRO A 30 -7.004 17.322 21.694 1.00 10.00 H new ATOM 0 HG2 PRO A 30 -8.096 17.407 18.849 1.00 10.00 H new ATOM 0 HG3 PRO A 30 -7.375 18.709 19.775 1.00 10.00 H new ATOM 0 HD2 PRO A 30 -5.898 17.337 17.936 1.00 10.00 H new ATOM 0 HD3 PRO A 30 -5.158 17.930 19.410 1.00 10.00 H new ATOM 499 N ASP A 31 -8.026 14.361 18.840 1.00 10.00 N ATOM 500 CA ASP A 31 -8.889 13.312 18.308 1.00 10.00 C ATOM 501 C ASP A 31 -8.646 13.217 16.801 1.00 10.00 C ATOM 502 O ASP A 31 -8.512 14.270 16.182 1.00 10.00 O ATOM 503 CB ASP A 31 -10.351 13.687 18.584 1.00 10.00 C ATOM 504 CG ASP A 31 -11.308 12.578 18.157 1.00 10.00 C ATOM 505 OD1 ASP A 31 -11.532 12.461 16.932 1.00 10.00 O ATOM 506 OD2 ASP A 31 -11.784 11.855 19.058 1.00 10.00 O ATOM 0 H ASP A 31 -7.817 15.096 18.165 1.00 10.00 H new ATOM 0 HA ASP A 31 -8.673 12.352 18.777 1.00 10.00 H new ATOM 0 HB2 ASP A 31 -10.480 13.890 19.647 1.00 10.00 H new ATOM 0 HB3 ASP A 31 -10.598 14.606 18.052 1.00 10.00 H new ATOM 511 N PRO A 32 -8.609 12.021 16.187 1.00 10.00 N ATOM 512 CA PRO A 32 -8.511 11.859 14.740 1.00 10.00 C ATOM 513 C PRO A 32 -9.385 12.835 13.943 1.00 10.00 C ATOM 514 O PRO A 32 -8.910 13.450 12.991 1.00 10.00 O ATOM 515 CB PRO A 32 -8.875 10.397 14.472 1.00 10.00 C ATOM 516 CG PRO A 32 -8.346 9.701 15.725 1.00 10.00 C ATOM 517 CD PRO A 32 -8.644 10.716 16.831 1.00 10.00 C ATOM 0 HA PRO A 32 -7.504 12.098 14.399 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -9.950 10.260 14.352 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -8.403 10.019 13.565 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -8.849 8.751 15.902 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -7.280 9.488 15.649 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -9.618 10.528 17.283 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -7.905 10.653 17.630 1.00 10.00 H new ATOM 525 N ALA A 33 -10.649 13.021 14.337 1.00 10.00 N ATOM 526 CA ALA A 33 -11.547 13.955 13.665 1.00 10.00 C ATOM 527 C ALA A 33 -10.946 15.362 13.570 1.00 10.00 C ATOM 528 O ALA A 33 -11.111 16.047 12.561 1.00 10.00 O ATOM 529 CB ALA A 33 -12.899 13.979 14.382 1.00 10.00 C ATOM 0 H ALA A 33 -11.072 12.531 15.125 1.00 10.00 H new ATOM 0 HA ALA A 33 -11.693 13.608 12.642 1.00 10.00 H new ATOM 0 HB1 ALA A 33 -13.566 14.678 13.877 1.00 10.00 H new ATOM 0 HB2 ALA A 33 -13.338 12.981 14.365 1.00 10.00 H new ATOM 0 HB3 ALA A 33 -12.757 14.295 15.415 1.00 10.00 H new ATOM 535 N ALA A 34 -10.214 15.784 14.605 1.00 10.00 N ATOM 536 CA ALA A 34 -9.590 17.098 14.666 1.00 10.00 C ATOM 537 C ALA A 34 -8.610 17.324 13.510 1.00 10.00 C ATOM 538 O ALA A 34 -8.349 18.473 13.157 1.00 10.00 O ATOM 539 CB ALA A 34 -8.914 17.299 16.027 1.00 10.00 C ATOM 0 H ALA A 34 -10.039 15.212 15.431 1.00 10.00 H new ATOM 0 HA ALA A 34 -10.373 17.848 14.556 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -8.451 18.285 16.061 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -9.659 17.221 16.819 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -8.151 16.534 16.171 1.00 10.00 H new ATOM 545 N LEU A 35 -8.096 16.258 12.881 1.00 10.00 N ATOM 546 CA LEU A 35 -7.262 16.379 11.688 1.00 10.00 C ATOM 547 C LEU A 35 -7.969 17.168 10.577 1.00 10.00 C ATOM 548 O LEU A 35 -7.302 17.793 9.755 1.00 10.00 O ATOM 549 CB LEU A 35 -6.829 14.993 11.184 1.00 10.00 C ATOM 550 CG LEU A 35 -5.967 14.207 12.189 1.00 10.00 C ATOM 551 CD1 LEU A 35 -5.765 12.772 11.694 1.00 10.00 C ATOM 552 CD2 LEU A 35 -4.590 14.848 12.402 1.00 10.00 C ATOM 0 H LEU A 35 -8.248 15.297 13.186 1.00 10.00 H new ATOM 0 HA LEU A 35 -6.370 16.939 11.967 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -7.718 14.409 10.948 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -6.270 15.113 10.256 1.00 10.00 H new ATOM 0 HG LEU A 35 -6.501 14.217 13.139 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -5.154 12.223 12.410 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -6.734 12.282 11.592 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -5.263 12.788 10.727 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -4.020 14.257 13.119 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -4.054 14.883 11.453 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -4.715 15.861 12.785 1.00 10.00 H new ATOM 564 N LYS A 36 -9.308 17.163 10.549 1.00 10.00 N ATOM 565 CA LYS A 36 -10.082 17.918 9.573 1.00 10.00 C ATOM 566 C LYS A 36 -9.997 19.437 9.798 1.00 10.00 C ATOM 567 O LYS A 36 -10.372 20.204 8.914 1.00 10.00 O ATOM 568 CB LYS A 36 -11.538 17.439 9.604 1.00 10.00 C ATOM 569 CG LYS A 36 -11.679 15.948 9.264 1.00 10.00 C ATOM 570 CD LYS A 36 -13.160 15.544 9.278 1.00 10.00 C ATOM 571 CE LYS A 36 -13.362 14.072 8.896 1.00 10.00 C ATOM 572 NZ LYS A 36 -12.757 13.154 9.878 1.00 10.00 N ATOM 0 H LYS A 36 -9.880 16.632 11.206 1.00 10.00 H new ATOM 0 HA LYS A 36 -9.654 17.733 8.588 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.956 17.623 10.594 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.124 18.026 8.897 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -11.248 15.748 8.283 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -11.123 15.348 9.985 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -13.574 15.720 10.271 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -13.714 16.177 8.585 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -14.429 13.863 8.814 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -12.925 13.890 7.914 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -13.004 12.174 9.635 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -11.723 13.264 9.865 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -13.116 13.376 10.828 1.00 10.00 H new ATOM 586 N ASP A 37 -9.539 19.895 10.970 1.00 10.00 N ATOM 587 CA ASP A 37 -9.425 21.320 11.258 1.00 10.00 C ATOM 588 C ASP A 37 -8.434 21.975 10.290 1.00 10.00 C ATOM 589 O ASP A 37 -7.326 21.474 10.105 1.00 10.00 O ATOM 590 CB ASP A 37 -8.993 21.513 12.718 1.00 10.00 C ATOM 591 CG ASP A 37 -9.017 22.977 13.149 1.00 10.00 C ATOM 592 OD1 ASP A 37 -8.224 23.760 12.582 1.00 10.00 O ATOM 593 OD2 ASP A 37 -9.820 23.295 14.052 1.00 10.00 O ATOM 0 H ASP A 37 -9.241 19.290 11.735 1.00 10.00 H new ATOM 0 HA ASP A 37 -10.392 21.803 11.119 1.00 10.00 H new ATOM 0 HB2 ASP A 37 -9.652 20.936 13.367 1.00 10.00 H new ATOM 0 HB3 ASP A 37 -7.987 21.116 12.851 1.00 10.00 H new ATOM 598 N ARG A 38 -8.808 23.118 9.707 1.00 10.00 N ATOM 599 CA ARG A 38 -8.002 23.840 8.724 1.00 10.00 C ATOM 600 C ARG A 38 -6.581 24.158 9.211 1.00 10.00 C ATOM 601 O ARG A 38 -5.682 24.331 8.392 1.00 10.00 O ATOM 602 CB ARG A 38 -8.729 25.118 8.285 1.00 10.00 C ATOM 603 CG ARG A 38 -10.006 24.801 7.494 1.00 10.00 C ATOM 604 CD ARG A 38 -10.638 26.096 6.968 1.00 10.00 C ATOM 605 NE ARG A 38 -11.832 25.826 6.155 1.00 10.00 N ATOM 606 CZ ARG A 38 -13.079 25.664 6.621 1.00 10.00 C ATOM 607 NH1 ARG A 38 -13.321 25.659 7.936 1.00 10.00 N ATOM 608 NH2 ARG A 38 -14.087 25.509 5.757 1.00 10.00 N ATOM 0 H ARG A 38 -9.697 23.574 9.911 1.00 10.00 H new ATOM 0 HA ARG A 38 -7.881 23.176 7.868 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.983 25.712 9.163 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.062 25.724 7.672 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -9.772 24.138 6.661 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -10.716 24.274 8.131 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -10.907 26.737 7.808 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -9.907 26.642 6.371 1.00 10.00 H new ATOM 0 HE ARG A 38 -11.701 25.756 5.146 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -12.553 25.779 8.596 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -14.274 25.535 8.279 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -13.904 25.515 4.754 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -15.039 25.385 6.101 1.00 10.00 H new ATOM 622 N ARG A 39 -6.360 24.241 10.527 1.00 10.00 N ATOM 623 CA ARG A 39 -5.026 24.377 11.098 1.00 10.00 C ATOM 624 C ARG A 39 -4.248 23.064 10.947 1.00 10.00 C ATOM 625 O ARG A 39 -3.106 23.064 10.487 1.00 10.00 O ATOM 626 CB ARG A 39 -5.132 24.784 12.574 1.00 10.00 C ATOM 627 CG ARG A 39 -5.760 26.178 12.727 1.00 10.00 C ATOM 628 CD ARG A 39 -6.102 26.464 14.192 1.00 10.00 C ATOM 629 NE ARG A 39 -7.262 25.670 14.621 1.00 10.00 N ATOM 630 CZ ARG A 39 -7.822 25.728 15.837 1.00 10.00 C ATOM 631 NH1 ARG A 39 -7.300 26.513 16.786 1.00 10.00 N ATOM 632 NH2 ARG A 39 -8.911 24.999 16.097 1.00 10.00 N ATOM 0 H ARG A 39 -7.105 24.215 11.223 1.00 10.00 H new ATOM 0 HA ARG A 39 -4.483 25.155 10.562 1.00 10.00 H new ATOM 0 HB2 ARG A 39 -5.733 24.051 13.113 1.00 10.00 H new ATOM 0 HB3 ARG A 39 -4.141 24.778 13.027 1.00 10.00 H new ATOM 0 HG2 ARG A 39 -5.070 26.935 12.356 1.00 10.00 H new ATOM 0 HG3 ARG A 39 -6.662 26.244 12.119 1.00 10.00 H new ATOM 0 HD2 ARG A 39 -5.244 26.232 14.823 1.00 10.00 H new ATOM 0 HD3 ARG A 39 -6.314 27.525 14.320 1.00 10.00 H new ATOM 0 HE ARG A 39 -7.671 25.027 13.943 1.00 10.00 H new ATOM 0 HH11 ARG A 39 -6.471 27.072 16.586 1.00 10.00 H new ATOM 0 HH12 ARG A 39 -7.731 26.552 17.709 1.00 10.00 H new ATOM 0 HH21 ARG A 39 -9.311 24.403 15.372 1.00 10.00 H new ATOM 0 HH22 ARG A 39 -9.342 25.038 17.020 1.00 10.00 H new ATOM 646 N MET A 40 -4.864 21.942 11.325 1.00 10.00 N ATOM 647 CA MET A 40 -4.240 20.629 11.290 1.00 10.00 C ATOM 648 C MET A 40 -3.974 20.193 9.852 1.00 10.00 C ATOM 649 O MET A 40 -2.923 19.621 9.569 1.00 10.00 O ATOM 650 CB MET A 40 -5.132 19.616 12.015 1.00 10.00 C ATOM 651 CG MET A 40 -5.211 19.872 13.526 1.00 10.00 C ATOM 652 SD MET A 40 -3.641 19.939 14.431 1.00 10.00 S ATOM 653 CE MET A 40 -2.933 18.327 14.029 1.00 10.00 C ATOM 0 H MET A 40 -5.824 21.926 11.668 1.00 10.00 H new ATOM 0 HA MET A 40 -3.279 20.679 11.801 1.00 10.00 H new ATOM 0 HB2 MET A 40 -6.136 19.653 11.591 1.00 10.00 H new ATOM 0 HB3 MET A 40 -4.749 18.610 11.840 1.00 10.00 H new ATOM 0 HG2 MET A 40 -5.733 20.816 13.683 1.00 10.00 H new ATOM 0 HG3 MET A 40 -5.826 19.089 13.971 1.00 10.00 H new ATOM 0 HE1 MET A 40 -1.989 18.202 14.559 1.00 10.00 H new ATOM 0 HE2 MET A 40 -3.625 17.540 14.330 1.00 10.00 H new ATOM 0 HE3 MET A 40 -2.757 18.264 12.955 1.00 10.00 H new ATOM 663 N GLU A 41 -4.912 20.493 8.949 1.00 10.00 N ATOM 664 CA GLU A 41 -4.831 20.220 7.518 1.00 10.00 C ATOM 665 C GLU A 41 -3.428 20.486 6.951 1.00 10.00 C ATOM 666 O GLU A 41 -2.927 19.723 6.130 1.00 10.00 O ATOM 667 CB GLU A 41 -5.913 21.047 6.806 1.00 10.00 C ATOM 668 CG GLU A 41 -6.034 20.702 5.314 1.00 10.00 C ATOM 669 CD GLU A 41 -7.134 21.495 4.608 1.00 10.00 C ATOM 670 OE1 GLU A 41 -7.841 22.261 5.299 1.00 10.00 O ATOM 671 OE2 GLU A 41 -7.245 21.318 3.375 1.00 10.00 O ATOM 0 H GLU A 41 -5.784 20.952 9.210 1.00 10.00 H new ATOM 0 HA GLU A 41 -5.012 19.160 7.343 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -6.873 20.878 7.293 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.684 22.107 6.913 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.081 20.896 4.823 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -6.236 19.636 5.208 1.00 10.00 H new ATOM 678 N ASN A 42 -2.781 21.560 7.403 1.00 10.00 N ATOM 679 CA ASN A 42 -1.434 21.932 6.977 1.00 10.00 C ATOM 680 C ASN A 42 -0.408 20.878 7.394 1.00 10.00 C ATOM 681 O ASN A 42 0.392 20.414 6.582 1.00 10.00 O ATOM 682 CB ASN A 42 -1.057 23.294 7.566 1.00 10.00 C ATOM 683 CG ASN A 42 -2.110 24.339 7.219 1.00 10.00 C ATOM 684 OD1 ASN A 42 -2.179 24.827 6.097 1.00 10.00 O ATOM 685 ND2 ASN A 42 -2.982 24.619 8.180 1.00 10.00 N ATOM 0 H ASN A 42 -3.184 22.204 8.084 1.00 10.00 H new ATOM 0 HA ASN A 42 -1.429 21.994 5.889 1.00 10.00 H new ATOM 0 HB2 ASN A 42 -0.960 23.214 8.649 1.00 10.00 H new ATOM 0 HB3 ASN A 42 -0.086 23.606 7.181 1.00 10.00 H new ATOM 0 HD21 ASN A 42 -3.750 25.265 7.999 1.00 10.00 H new ATOM 0 HD22 ASN A 42 -2.884 24.188 9.099 1.00 10.00 H new ATOM 692 N LEU A 43 -0.426 20.502 8.674 1.00 10.00 N ATOM 693 CA LEU A 43 0.464 19.481 9.213 1.00 10.00 C ATOM 694 C LEU A 43 0.183 18.147 8.525 1.00 10.00 C ATOM 695 O LEU A 43 1.114 17.435 8.159 1.00 10.00 O ATOM 696 CB LEU A 43 0.326 19.335 10.737 1.00 10.00 C ATOM 697 CG LEU A 43 0.903 20.514 11.540 1.00 10.00 C ATOM 698 CD1 LEU A 43 -0.074 21.692 11.630 1.00 10.00 C ATOM 699 CD2 LEU A 43 1.220 20.041 12.962 1.00 10.00 C ATOM 0 H LEU A 43 -1.061 20.900 9.365 1.00 10.00 H new ATOM 0 HA LEU A 43 1.490 19.792 9.015 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.729 19.223 10.986 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.826 18.418 11.049 1.00 10.00 H new ATOM 0 HG LEU A 43 1.799 20.855 11.022 1.00 10.00 H new ATOM 0 HD11 LEU A 43 0.380 22.498 12.206 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -0.306 22.049 10.627 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -0.991 21.367 12.121 1.00 10.00 H new ATOM 0 HD21 LEU A 43 1.630 20.870 13.539 1.00 10.00 H new ATOM 0 HD22 LEU A 43 0.307 19.684 13.439 1.00 10.00 H new ATOM 0 HD23 LEU A 43 1.949 19.232 12.922 1.00 10.00 H new ATOM 711 N VAL A 44 -1.096 17.816 8.333 1.00 10.00 N ATOM 712 CA VAL A 44 -1.508 16.637 7.583 1.00 10.00 C ATOM 713 C VAL A 44 -0.881 16.663 6.185 1.00 10.00 C ATOM 714 O VAL A 44 -0.239 15.697 5.782 1.00 10.00 O ATOM 715 CB VAL A 44 -3.042 16.551 7.547 1.00 10.00 C ATOM 716 CG1 VAL A 44 -3.533 15.437 6.614 1.00 10.00 C ATOM 717 CG2 VAL A 44 -3.605 16.286 8.949 1.00 10.00 C ATOM 0 H VAL A 44 -1.876 18.364 8.697 1.00 10.00 H new ATOM 0 HA VAL A 44 -1.149 15.734 8.076 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.396 17.511 7.172 1.00 10.00 H new ATOM 0 HG11 VAL A 44 -4.623 15.412 6.619 1.00 10.00 H new ATOM 0 HG12 VAL A 44 -3.179 15.629 5.601 1.00 10.00 H new ATOM 0 HG13 VAL A 44 -3.147 14.478 6.958 1.00 10.00 H new ATOM 0 HG21 VAL A 44 -4.692 16.229 8.900 1.00 10.00 H new ATOM 0 HG22 VAL A 44 -3.209 15.344 9.328 1.00 10.00 H new ATOM 0 HG23 VAL A 44 -3.314 17.097 9.617 1.00 10.00 H new ATOM 727 N ALA A 45 -1.051 17.761 5.444 1.00 10.00 N ATOM 728 CA ALA A 45 -0.490 17.918 4.108 1.00 10.00 C ATOM 729 C ALA A 45 1.029 17.727 4.125 1.00 10.00 C ATOM 730 O ALA A 45 1.559 16.940 3.343 1.00 10.00 O ATOM 731 CB ALA A 45 -0.883 19.280 3.529 1.00 10.00 C ATOM 0 H ALA A 45 -1.586 18.569 5.760 1.00 10.00 H new ATOM 0 HA ALA A 45 -0.903 17.144 3.461 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -0.459 19.387 2.531 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -1.969 19.351 3.471 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -0.501 20.073 4.172 1.00 10.00 H new ATOM 737 N TYR A 46 1.731 18.425 5.025 1.00 10.00 N ATOM 738 CA TYR A 46 3.172 18.267 5.177 1.00 10.00 C ATOM 739 C TYR A 46 3.529 16.798 5.417 1.00 10.00 C ATOM 740 O TYR A 46 4.379 16.242 4.726 1.00 10.00 O ATOM 741 CB TYR A 46 3.694 19.156 6.314 1.00 10.00 C ATOM 742 CG TYR A 46 5.191 19.020 6.521 1.00 10.00 C ATOM 743 CD1 TYR A 46 6.076 19.674 5.644 1.00 10.00 C ATOM 744 CD2 TYR A 46 5.696 18.109 7.470 1.00 10.00 C ATOM 745 CE1 TYR A 46 7.458 19.432 5.725 1.00 10.00 C ATOM 746 CE2 TYR A 46 7.076 17.850 7.534 1.00 10.00 C ATOM 747 CZ TYR A 46 7.957 18.513 6.663 1.00 10.00 C ATOM 748 OH TYR A 46 9.296 18.266 6.729 1.00 10.00 O ATOM 0 H TYR A 46 1.317 19.107 5.660 1.00 10.00 H new ATOM 0 HA TYR A 46 3.656 18.584 4.253 1.00 10.00 H new ATOM 0 HB2 TYR A 46 3.454 20.197 6.096 1.00 10.00 H new ATOM 0 HB3 TYR A 46 3.178 18.897 7.239 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.692 20.364 4.907 1.00 10.00 H new ATOM 0 HD2 TYR A 46 5.022 17.609 8.149 1.00 10.00 H new ATOM 0 HE1 TYR A 46 8.137 19.953 5.066 1.00 10.00 H new ATOM 0 HE2 TYR A 46 7.459 17.141 8.253 1.00 10.00 H new ATOM 0 HH TYR A 46 9.597 18.343 7.658 1.00 10.00 H new ATOM 758 N ALA A 47 2.884 16.172 6.400 1.00 10.00 N ATOM 759 CA ALA A 47 3.118 14.785 6.758 1.00 10.00 C ATOM 760 C ALA A 47 2.898 13.858 5.559 1.00 10.00 C ATOM 761 O ALA A 47 3.742 13.010 5.286 1.00 10.00 O ATOM 762 CB ALA A 47 2.227 14.413 7.946 1.00 10.00 C ATOM 0 H ALA A 47 2.175 16.626 6.975 1.00 10.00 H new ATOM 0 HA ALA A 47 4.159 14.659 7.056 1.00 10.00 H new ATOM 0 HB1 ALA A 47 2.400 13.372 8.218 1.00 10.00 H new ATOM 0 HB2 ALA A 47 2.465 15.054 8.795 1.00 10.00 H new ATOM 0 HB3 ALA A 47 1.181 14.548 7.672 1.00 10.00 H new ATOM 768 N LYS A 48 1.791 14.020 4.828 1.00 10.00 N ATOM 769 CA LYS A 48 1.532 13.273 3.602 1.00 10.00 C ATOM 770 C LYS A 48 2.672 13.464 2.601 1.00 10.00 C ATOM 771 O LYS A 48 3.235 12.489 2.108 1.00 10.00 O ATOM 772 CB LYS A 48 0.194 13.697 2.981 1.00 10.00 C ATOM 773 CG LYS A 48 -0.997 13.125 3.754 1.00 10.00 C ATOM 774 CD LYS A 48 -2.313 13.553 3.097 1.00 10.00 C ATOM 775 CE LYS A 48 -3.499 12.891 3.806 1.00 10.00 C ATOM 776 NZ LYS A 48 -4.784 13.389 3.285 1.00 10.00 N ATOM 0 H LYS A 48 1.050 14.676 5.074 1.00 10.00 H new ATOM 0 HA LYS A 48 1.473 12.215 3.856 1.00 10.00 H new ATOM 0 HB2 LYS A 48 0.129 14.785 2.965 1.00 10.00 H new ATOM 0 HB3 LYS A 48 0.151 13.360 1.945 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -0.933 12.037 3.781 1.00 10.00 H new ATOM 0 HG3 LYS A 48 -0.969 13.472 4.787 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -2.413 14.637 3.140 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -2.309 13.275 2.043 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -3.446 11.810 3.675 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -3.439 13.085 4.877 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -5.566 12.921 3.786 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -4.844 14.417 3.433 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -4.850 13.181 2.268 1.00 10.00 H new ATOM 790 N LYS A 49 3.007 14.719 2.294 1.00 10.00 N ATOM 791 CA LYS A 49 4.053 15.059 1.341 1.00 10.00 C ATOM 792 C LYS A 49 5.362 14.361 1.715 1.00 10.00 C ATOM 793 O LYS A 49 5.960 13.644 0.909 1.00 10.00 O ATOM 794 CB LYS A 49 4.209 16.584 1.307 1.00 10.00 C ATOM 795 CG LYS A 49 5.095 17.048 0.149 1.00 10.00 C ATOM 796 CD LYS A 49 5.158 18.580 0.118 1.00 10.00 C ATOM 797 CE LYS A 49 6.053 19.086 -1.019 1.00 10.00 C ATOM 798 NZ LYS A 49 7.467 18.723 -0.813 1.00 10.00 N ATOM 0 H LYS A 49 2.552 15.533 2.707 1.00 10.00 H new ATOM 0 HA LYS A 49 3.782 14.713 0.344 1.00 10.00 H new ATOM 0 HB2 LYS A 49 3.226 17.046 1.218 1.00 10.00 H new ATOM 0 HB3 LYS A 49 4.637 16.925 2.249 1.00 10.00 H new ATOM 0 HG2 LYS A 49 6.098 16.637 0.260 1.00 10.00 H new ATOM 0 HG3 LYS A 49 4.700 16.673 -0.795 1.00 10.00 H new ATOM 0 HD2 LYS A 49 4.153 18.984 -0.003 1.00 10.00 H new ATOM 0 HD3 LYS A 49 5.537 18.948 1.071 1.00 10.00 H new ATOM 0 HE2 LYS A 49 5.706 18.671 -1.965 1.00 10.00 H new ATOM 0 HE3 LYS A 49 5.964 20.170 -1.095 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 8.055 19.197 -1.528 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 7.768 19.023 0.136 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 7.577 17.693 -0.901 1.00 10.00 H new ATOM 812 N VAL A 50 5.806 14.585 2.951 1.00 10.00 N ATOM 813 CA VAL A 50 7.053 14.027 3.446 1.00 10.00 C ATOM 814 C VAL A 50 6.990 12.495 3.436 1.00 10.00 C ATOM 815 O VAL A 50 7.927 11.853 2.970 1.00 10.00 O ATOM 816 CB VAL A 50 7.467 14.679 4.787 1.00 10.00 C ATOM 817 CG1 VAL A 50 7.294 13.787 6.019 1.00 10.00 C ATOM 818 CG2 VAL A 50 8.928 15.134 4.722 1.00 10.00 C ATOM 0 H VAL A 50 5.309 15.158 3.633 1.00 10.00 H new ATOM 0 HA VAL A 50 7.872 14.278 2.772 1.00 10.00 H new ATOM 0 HB VAL A 50 6.785 15.520 4.911 1.00 10.00 H new ATOM 0 HG11 VAL A 50 7.610 14.331 6.909 1.00 10.00 H new ATOM 0 HG12 VAL A 50 6.246 13.504 6.119 1.00 10.00 H new ATOM 0 HG13 VAL A 50 7.903 12.890 5.907 1.00 10.00 H new ATOM 0 HG21 VAL A 50 9.209 15.591 5.671 1.00 10.00 H new ATOM 0 HG22 VAL A 50 9.569 14.273 4.530 1.00 10.00 H new ATOM 0 HG23 VAL A 50 9.047 15.861 3.919 1.00 10.00 H new ATOM 828 N GLU A 51 5.886 11.888 3.890 1.00 10.00 N ATOM 829 CA GLU A 51 5.706 10.449 3.809 1.00 10.00 C ATOM 830 C GLU A 51 5.856 9.962 2.365 1.00 10.00 C ATOM 831 O GLU A 51 6.559 8.986 2.125 1.00 10.00 O ATOM 832 CB GLU A 51 4.377 10.056 4.464 1.00 10.00 C ATOM 833 CG GLU A 51 4.135 8.541 4.409 1.00 10.00 C ATOM 834 CD GLU A 51 3.441 8.106 3.119 1.00 10.00 C ATOM 835 OE1 GLU A 51 2.331 8.618 2.861 1.00 10.00 O ATOM 836 OE2 GLU A 51 4.028 7.253 2.417 1.00 10.00 O ATOM 0 H GLU A 51 5.104 12.383 4.319 1.00 10.00 H new ATOM 0 HA GLU A 51 6.492 9.942 4.369 1.00 10.00 H new ATOM 0 HB2 GLU A 51 4.373 10.386 5.503 1.00 10.00 H new ATOM 0 HB3 GLU A 51 3.559 10.572 3.962 1.00 10.00 H new ATOM 0 HG2 GLU A 51 5.089 8.020 4.498 1.00 10.00 H new ATOM 0 HG3 GLU A 51 3.528 8.242 5.263 1.00 10.00 H new ATOM 843 N GLY A 52 5.228 10.641 1.403 1.00 10.00 N ATOM 844 CA GLY A 52 5.410 10.362 -0.014 1.00 10.00 C ATOM 845 C GLY A 52 6.893 10.367 -0.390 1.00 10.00 C ATOM 846 O GLY A 52 7.400 9.389 -0.942 1.00 10.00 O ATOM 0 H GLY A 52 4.576 11.403 1.591 1.00 10.00 H new ATOM 0 HA2 GLY A 52 4.973 9.393 -0.256 1.00 10.00 H new ATOM 0 HA3 GLY A 52 4.879 11.108 -0.606 1.00 10.00 H new ATOM 850 N ASP A 53 7.593 11.461 -0.073 1.00 10.00 N ATOM 851 CA ASP A 53 9.026 11.590 -0.325 1.00 10.00 C ATOM 852 C ASP A 53 9.795 10.385 0.229 1.00 10.00 C ATOM 853 O ASP A 53 10.591 9.762 -0.479 1.00 10.00 O ATOM 854 CB ASP A 53 9.545 12.907 0.263 1.00 10.00 C ATOM 855 CG ASP A 53 11.015 13.131 -0.073 1.00 10.00 C ATOM 856 OD1 ASP A 53 11.290 13.389 -1.264 1.00 10.00 O ATOM 857 OD2 ASP A 53 11.831 13.052 0.870 1.00 10.00 O ATOM 0 H ASP A 53 7.178 12.282 0.367 1.00 10.00 H new ATOM 0 HA ASP A 53 9.191 11.608 -1.402 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.953 13.737 -0.123 1.00 10.00 H new ATOM 0 HB3 ASP A 53 9.416 12.899 1.345 1.00 10.00 H new ATOM 862 N MET A 54 9.537 10.037 1.492 1.00 10.00 N ATOM 863 CA MET A 54 10.158 8.885 2.122 1.00 10.00 C ATOM 864 C MET A 54 9.799 7.593 1.394 1.00 10.00 C ATOM 865 O MET A 54 10.672 6.756 1.192 1.00 10.00 O ATOM 866 CB MET A 54 9.787 8.804 3.605 1.00 10.00 C ATOM 867 CG MET A 54 10.337 9.991 4.404 1.00 10.00 C ATOM 868 SD MET A 54 12.076 10.427 4.154 1.00 10.00 S ATOM 869 CE MET A 54 12.163 11.756 5.356 1.00 10.00 C ATOM 0 H MET A 54 8.894 10.547 2.098 1.00 10.00 H new ATOM 0 HA MET A 54 11.238 9.012 2.053 1.00 10.00 H new ATOM 0 HB2 MET A 54 8.702 8.772 3.705 1.00 10.00 H new ATOM 0 HB3 MET A 54 10.174 7.875 4.025 1.00 10.00 H new ATOM 0 HG2 MET A 54 9.732 10.866 4.166 1.00 10.00 H new ATOM 0 HG3 MET A 54 10.191 9.781 5.464 1.00 10.00 H new ATOM 0 HE1 MET A 54 13.190 11.863 5.706 1.00 10.00 H new ATOM 0 HE2 MET A 54 11.839 12.688 4.892 1.00 10.00 H new ATOM 0 HE3 MET A 54 11.513 11.526 6.201 1.00 10.00 H new ATOM 879 N TYR A 55 8.539 7.419 0.991 1.00 10.00 N ATOM 880 CA TYR A 55 8.097 6.233 0.273 1.00 10.00 C ATOM 881 C TYR A 55 8.909 6.057 -1.011 1.00 10.00 C ATOM 882 O TYR A 55 9.435 4.978 -1.272 1.00 10.00 O ATOM 883 CB TYR A 55 6.589 6.300 -0.008 1.00 10.00 C ATOM 884 CG TYR A 55 5.987 4.933 -0.254 1.00 10.00 C ATOM 885 CD1 TYR A 55 6.210 4.272 -1.476 1.00 10.00 C ATOM 886 CD2 TYR A 55 5.437 4.224 0.829 1.00 10.00 C ATOM 887 CE1 TYR A 55 6.011 2.885 -1.565 1.00 10.00 C ATOM 888 CE2 TYR A 55 5.236 2.840 0.738 1.00 10.00 C ATOM 889 CZ TYR A 55 5.624 2.162 -0.426 1.00 10.00 C ATOM 890 OH TYR A 55 5.784 0.813 -0.398 1.00 10.00 O ATOM 0 H TYR A 55 7.799 8.101 1.156 1.00 10.00 H new ATOM 0 HA TYR A 55 8.271 5.356 0.897 1.00 10.00 H new ATOM 0 HB2 TYR A 55 6.085 6.769 0.837 1.00 10.00 H new ATOM 0 HB3 TYR A 55 6.412 6.934 -0.877 1.00 10.00 H new ATOM 0 HD1 TYR A 55 6.533 4.830 -2.343 1.00 10.00 H new ATOM 0 HD2 TYR A 55 5.168 4.748 1.734 1.00 10.00 H new ATOM 0 HE1 TYR A 55 6.155 2.376 -2.507 1.00 10.00 H new ATOM 0 HE2 TYR A 55 4.786 2.300 1.558 1.00 10.00 H new ATOM 0 HH TYR A 55 6.397 0.571 0.327 1.00 10.00 H new ATOM 900 N GLU A 56 9.025 7.123 -1.807 1.00 10.00 N ATOM 901 CA GLU A 56 9.804 7.094 -3.031 1.00 10.00 C ATOM 902 C GLU A 56 11.288 6.834 -2.749 1.00 10.00 C ATOM 903 O GLU A 56 11.926 6.066 -3.466 1.00 10.00 O ATOM 904 CB GLU A 56 9.575 8.398 -3.799 1.00 10.00 C ATOM 905 CG GLU A 56 8.104 8.588 -4.195 1.00 10.00 C ATOM 906 CD GLU A 56 7.583 7.461 -5.080 1.00 10.00 C ATOM 907 OE1 GLU A 56 7.878 7.506 -6.294 1.00 10.00 O ATOM 908 OE2 GLU A 56 6.898 6.573 -4.524 1.00 10.00 O ATOM 0 H GLU A 56 8.582 8.022 -1.616 1.00 10.00 H new ATOM 0 HA GLU A 56 9.471 6.263 -3.653 1.00 10.00 H new ATOM 0 HB2 GLU A 56 9.896 9.240 -3.186 1.00 10.00 H new ATOM 0 HB3 GLU A 56 10.194 8.403 -4.696 1.00 10.00 H new ATOM 0 HG2 GLU A 56 7.494 8.648 -3.294 1.00 10.00 H new ATOM 0 HG3 GLU A 56 7.993 9.537 -4.719 1.00 10.00 H new ATOM 915 N SER A 57 11.844 7.463 -1.711 1.00 10.00 N ATOM 916 CA SER A 57 13.235 7.241 -1.322 1.00 10.00 C ATOM 917 C SER A 57 13.482 5.788 -0.886 1.00 10.00 C ATOM 918 O SER A 57 14.505 5.180 -1.210 1.00 10.00 O ATOM 919 CB SER A 57 13.603 8.208 -0.189 1.00 10.00 C ATOM 920 OG SER A 57 13.365 9.546 -0.582 1.00 10.00 O ATOM 0 H SER A 57 11.348 8.133 -1.123 1.00 10.00 H new ATOM 0 HA SER A 57 13.868 7.428 -2.190 1.00 10.00 H new ATOM 0 HB2 SER A 57 13.018 7.975 0.701 1.00 10.00 H new ATOM 0 HB3 SER A 57 14.652 8.082 0.078 1.00 10.00 H new ATOM 0 HG SER A 57 12.403 9.731 -0.548 1.00 10.00 H new ATOM 926 N ALA A 58 12.558 5.242 -0.099 1.00 10.00 N ATOM 927 CA ALA A 58 12.718 3.975 0.584 1.00 10.00 C ATOM 928 C ALA A 58 12.766 2.787 -0.378 1.00 10.00 C ATOM 929 O ALA A 58 11.758 2.338 -0.921 1.00 10.00 O ATOM 930 CB ALA A 58 11.621 3.819 1.629 1.00 10.00 C ATOM 0 H ALA A 58 11.657 5.685 0.081 1.00 10.00 H new ATOM 0 HA ALA A 58 13.686 3.980 1.086 1.00 10.00 H new ATOM 0 HB1 ALA A 58 11.741 2.865 2.143 1.00 10.00 H new ATOM 0 HB2 ALA A 58 11.689 4.632 2.352 1.00 10.00 H new ATOM 0 HB3 ALA A 58 10.647 3.848 1.141 1.00 10.00 H new ATOM 936 N ASN A 59 13.961 2.225 -0.538 1.00 10.00 N ATOM 937 CA ASN A 59 14.181 1.030 -1.335 1.00 10.00 C ATOM 938 C ASN A 59 13.659 -0.218 -0.604 1.00 10.00 C ATOM 939 O ASN A 59 13.462 -1.251 -1.239 1.00 10.00 O ATOM 940 CB ASN A 59 15.668 0.922 -1.699 1.00 10.00 C ATOM 941 CG ASN A 59 16.085 1.868 -2.831 1.00 10.00 C ATOM 942 OD1 ASN A 59 16.664 1.424 -3.816 1.00 10.00 O ATOM 943 ND2 ASN A 59 15.814 3.170 -2.737 1.00 10.00 N ATOM 0 H ASN A 59 14.811 2.594 -0.111 1.00 10.00 H new ATOM 0 HA ASN A 59 13.616 1.100 -2.265 1.00 10.00 H new ATOM 0 HB2 ASN A 59 16.268 1.138 -0.815 1.00 10.00 H new ATOM 0 HB3 ASN A 59 15.890 -0.104 -1.992 1.00 10.00 H new ATOM 0 HD21 ASN A 59 16.089 3.804 -3.488 1.00 10.00 H new ATOM 0 HD22 ASN A 59 15.332 3.532 -1.914 1.00 10.00 H new ATOM 950 N SER A 60 13.408 -0.141 0.712 1.00 10.00 N ATOM 951 CA SER A 60 12.785 -1.210 1.485 1.00 10.00 C ATOM 952 C SER A 60 11.974 -0.634 2.653 1.00 10.00 C ATOM 953 O SER A 60 12.159 0.518 3.044 1.00 10.00 O ATOM 954 CB SER A 60 13.840 -2.208 1.973 1.00 10.00 C ATOM 955 OG SER A 60 13.211 -3.239 2.716 1.00 10.00 O ATOM 0 H SER A 60 13.638 0.681 1.271 1.00 10.00 H new ATOM 0 HA SER A 60 12.093 -1.748 0.837 1.00 10.00 H new ATOM 0 HB2 SER A 60 14.374 -2.632 1.123 1.00 10.00 H new ATOM 0 HB3 SER A 60 14.579 -1.698 2.592 1.00 10.00 H new ATOM 0 HG SER A 60 13.814 -3.545 3.425 1.00 10.00 H new ATOM 961 N ARG A 61 11.104 -1.470 3.227 1.00 10.00 N ATOM 962 CA ARG A 61 10.299 -1.187 4.409 1.00 10.00 C ATOM 963 C ARG A 61 11.185 -0.762 5.581 1.00 10.00 C ATOM 964 O ARG A 61 10.908 0.229 6.252 1.00 10.00 O ATOM 965 CB ARG A 61 9.479 -2.440 4.749 1.00 10.00 C ATOM 966 CG ARG A 61 8.786 -2.345 6.112 1.00 10.00 C ATOM 967 CD ARG A 61 7.859 -3.546 6.310 1.00 10.00 C ATOM 968 NE ARG A 61 7.639 -3.852 7.733 1.00 10.00 N ATOM 969 CZ ARG A 61 8.535 -4.470 8.520 1.00 10.00 C ATOM 970 NH1 ARG A 61 9.749 -4.781 8.051 1.00 10.00 N ATOM 971 NH2 ARG A 61 8.218 -4.782 9.780 1.00 10.00 N ATOM 0 H ARG A 61 10.937 -2.407 2.859 1.00 10.00 H new ATOM 0 HA ARG A 61 9.622 -0.357 4.208 1.00 10.00 H new ATOM 0 HB2 ARG A 61 8.728 -2.598 3.975 1.00 10.00 H new ATOM 0 HB3 ARG A 61 10.134 -3.311 4.740 1.00 10.00 H new ATOM 0 HG2 ARG A 61 9.531 -2.315 6.907 1.00 10.00 H new ATOM 0 HG3 ARG A 61 8.214 -1.419 6.175 1.00 10.00 H new ATOM 0 HD2 ARG A 61 6.901 -3.345 5.831 1.00 10.00 H new ATOM 0 HD3 ARG A 61 8.286 -4.418 5.815 1.00 10.00 H new ATOM 0 HE ARG A 61 6.749 -3.577 8.148 1.00 10.00 H new ATOM 0 HH11 ARG A 61 9.999 -4.549 7.090 1.00 10.00 H new ATOM 0 HH12 ARG A 61 10.424 -5.250 8.655 1.00 10.00 H new ATOM 0 HH21 ARG A 61 7.294 -4.551 10.146 1.00 10.00 H new ATOM 0 HH22 ARG A 61 8.900 -5.251 10.376 1.00 10.00 H new ATOM 985 N ASP A 62 12.243 -1.531 5.845 1.00 10.00 N ATOM 986 CA ASP A 62 13.223 -1.208 6.874 1.00 10.00 C ATOM 987 C ASP A 62 13.703 0.245 6.735 1.00 10.00 C ATOM 988 O ASP A 62 13.603 1.024 7.683 1.00 10.00 O ATOM 989 CB ASP A 62 14.361 -2.240 6.862 1.00 10.00 C ATOM 990 CG ASP A 62 14.935 -2.524 5.476 1.00 10.00 C ATOM 991 OD1 ASP A 62 15.620 -1.630 4.937 1.00 10.00 O ATOM 992 OD2 ASP A 62 14.643 -3.623 4.955 1.00 10.00 O ATOM 0 H ASP A 62 12.442 -2.399 5.347 1.00 10.00 H new ATOM 0 HA ASP A 62 12.758 -1.272 7.858 1.00 10.00 H new ATOM 0 HB2 ASP A 62 15.163 -1.887 7.510 1.00 10.00 H new ATOM 0 HB3 ASP A 62 13.994 -3.173 7.289 1.00 10.00 H new ATOM 997 N GLU A 63 14.174 0.625 5.544 1.00 10.00 N ATOM 998 CA GLU A 63 14.546 1.998 5.239 1.00 10.00 C ATOM 999 C GLU A 63 13.367 2.936 5.508 1.00 10.00 C ATOM 1000 O GLU A 63 13.536 3.920 6.216 1.00 10.00 O ATOM 1001 CB GLU A 63 15.085 2.106 3.805 1.00 10.00 C ATOM 1002 CG GLU A 63 15.483 3.548 3.444 1.00 10.00 C ATOM 1003 CD GLU A 63 16.243 3.632 2.123 1.00 10.00 C ATOM 1004 OE1 GLU A 63 15.982 2.769 1.256 1.00 10.00 O ATOM 1005 OE2 GLU A 63 17.061 4.568 1.997 1.00 10.00 O ATOM 0 H GLU A 63 14.306 -0.019 4.764 1.00 10.00 H new ATOM 0 HA GLU A 63 15.356 2.311 5.897 1.00 10.00 H new ATOM 0 HB2 GLU A 63 15.950 1.453 3.693 1.00 10.00 H new ATOM 0 HB3 GLU A 63 14.327 1.754 3.106 1.00 10.00 H new ATOM 0 HG2 GLU A 63 14.586 4.164 3.383 1.00 10.00 H new ATOM 0 HG3 GLU A 63 16.100 3.961 4.241 1.00 10.00 H new ATOM 1012 N TYR A 64 12.182 2.643 4.966 1.00 10.00 N ATOM 1013 CA TYR A 64 10.996 3.474 5.159 1.00 10.00 C ATOM 1014 C TYR A 64 10.755 3.811 6.633 1.00 10.00 C ATOM 1015 O TYR A 64 10.620 4.979 6.996 1.00 10.00 O ATOM 1016 CB TYR A 64 9.780 2.795 4.531 1.00 10.00 C ATOM 1017 CG TYR A 64 8.500 3.597 4.602 1.00 10.00 C ATOM 1018 CD1 TYR A 64 8.390 4.820 3.911 1.00 10.00 C ATOM 1019 CD2 TYR A 64 7.369 3.035 5.218 1.00 10.00 C ATOM 1020 CE1 TYR A 64 7.145 5.464 3.818 1.00 10.00 C ATOM 1021 CE2 TYR A 64 6.125 3.669 5.105 1.00 10.00 C ATOM 1022 CZ TYR A 64 6.015 4.887 4.421 1.00 10.00 C ATOM 1023 OH TYR A 64 4.790 5.458 4.287 1.00 10.00 O ATOM 0 H TYR A 64 12.020 1.823 4.382 1.00 10.00 H new ATOM 0 HA TYR A 64 11.166 4.426 4.656 1.00 10.00 H new ATOM 0 HB2 TYR A 64 10.001 2.581 3.485 1.00 10.00 H new ATOM 0 HB3 TYR A 64 9.620 1.837 5.026 1.00 10.00 H new ATOM 0 HD1 TYR A 64 9.262 5.262 3.453 1.00 10.00 H new ATOM 0 HD2 TYR A 64 7.459 2.116 5.778 1.00 10.00 H new ATOM 0 HE1 TYR A 64 7.057 6.399 3.285 1.00 10.00 H new ATOM 0 HE2 TYR A 64 5.248 3.218 5.546 1.00 10.00 H new ATOM 0 HH TYR A 64 4.793 6.060 3.514 1.00 10.00 H new ATOM 1033 N TYR A 65 10.725 2.795 7.496 1.00 10.00 N ATOM 1034 CA TYR A 65 10.645 3.029 8.930 1.00 10.00 C ATOM 1035 C TYR A 65 11.823 3.883 9.403 1.00 10.00 C ATOM 1036 O TYR A 65 11.617 4.894 10.074 1.00 10.00 O ATOM 1037 CB TYR A 65 10.569 1.700 9.687 1.00 10.00 C ATOM 1038 CG TYR A 65 9.156 1.177 9.845 1.00 10.00 C ATOM 1039 CD1 TYR A 65 8.286 1.811 10.750 1.00 10.00 C ATOM 1040 CD2 TYR A 65 8.709 0.069 9.105 1.00 10.00 C ATOM 1041 CE1 TYR A 65 6.982 1.326 10.931 1.00 10.00 C ATOM 1042 CE2 TYR A 65 7.402 -0.415 9.286 1.00 10.00 C ATOM 1043 CZ TYR A 65 6.547 0.202 10.216 1.00 10.00 C ATOM 1044 OH TYR A 65 5.295 -0.286 10.432 1.00 10.00 O ATOM 0 H TYR A 65 10.755 1.812 7.226 1.00 10.00 H new ATOM 0 HA TYR A 65 9.731 3.583 9.144 1.00 10.00 H new ATOM 0 HB2 TYR A 65 11.167 0.956 9.161 1.00 10.00 H new ATOM 0 HB3 TYR A 65 11.014 1.827 10.674 1.00 10.00 H new ATOM 0 HD1 TYR A 65 8.622 2.673 11.307 1.00 10.00 H new ATOM 0 HD2 TYR A 65 9.370 -0.410 8.398 1.00 10.00 H new ATOM 0 HE1 TYR A 65 6.313 1.819 11.621 1.00 10.00 H new ATOM 0 HE2 TYR A 65 7.055 -1.261 8.711 1.00 10.00 H new ATOM 0 HH TYR A 65 5.195 -1.146 9.972 1.00 10.00 H new ATOM 1054 N HIS A 66 13.050 3.483 9.061 1.00 10.00 N ATOM 1055 CA HIS A 66 14.254 4.167 9.512 1.00 10.00 C ATOM 1056 C HIS A 66 14.240 5.662 9.178 1.00 10.00 C ATOM 1057 O HIS A 66 14.317 6.483 10.088 1.00 10.00 O ATOM 1058 CB HIS A 66 15.507 3.477 8.970 1.00 10.00 C ATOM 1059 CG HIS A 66 16.769 4.149 9.443 1.00 10.00 C ATOM 1060 ND1 HIS A 66 17.292 4.046 10.731 1.00 10.00 N ATOM 1061 CD2 HIS A 66 17.494 5.060 8.728 1.00 10.00 C ATOM 1062 CE1 HIS A 66 18.334 4.889 10.762 1.00 10.00 C ATOM 1063 NE2 HIS A 66 18.479 5.511 9.577 1.00 10.00 N ATOM 0 H HIS A 66 13.232 2.676 8.464 1.00 10.00 H new ATOM 0 HA HIS A 66 14.275 4.099 10.600 1.00 10.00 H new ATOM 0 HB2 HIS A 66 15.512 2.434 9.285 1.00 10.00 H new ATOM 0 HB3 HIS A 66 15.481 3.481 7.880 1.00 10.00 H new ATOM 0 HD2 HIS A 66 17.328 5.364 7.705 1.00 10.00 H new ATOM 0 HE1 HIS A 66 18.970 5.047 11.620 1.00 10.00 H new ATOM 0 HE2 HIS A 66 19.196 6.199 9.348 1.00 10.00 H new ATOM 1071 N LEU A 67 14.170 6.046 7.898 1.00 10.00 N ATOM 1072 CA LEU A 67 14.244 7.459 7.534 1.00 10.00 C ATOM 1073 C LEU A 67 13.040 8.272 8.037 1.00 10.00 C ATOM 1074 O LEU A 67 13.213 9.438 8.387 1.00 10.00 O ATOM 1075 CB LEU A 67 14.680 7.729 6.075 1.00 10.00 C ATOM 1076 CG LEU A 67 14.122 6.822 4.970 1.00 10.00 C ATOM 1077 CD1 LEU A 67 12.600 6.810 4.989 1.00 10.00 C ATOM 1078 CD2 LEU A 67 14.600 7.267 3.583 1.00 10.00 C ATOM 0 H LEU A 67 14.064 5.407 7.110 1.00 10.00 H new ATOM 0 HA LEU A 67 15.087 7.862 8.095 1.00 10.00 H new ATOM 0 HB2 LEU A 67 14.408 8.756 5.831 1.00 10.00 H new ATOM 0 HB3 LEU A 67 15.768 7.670 6.036 1.00 10.00 H new ATOM 0 HG LEU A 67 14.495 5.817 5.168 1.00 10.00 H new ATOM 0 HD11 LEU A 67 12.231 6.160 4.196 1.00 10.00 H new ATOM 0 HD12 LEU A 67 12.251 6.440 5.953 1.00 10.00 H new ATOM 0 HD13 LEU A 67 12.226 7.822 4.832 1.00 10.00 H new ATOM 0 HD21 LEU A 67 14.186 6.602 2.825 1.00 10.00 H new ATOM 0 HD22 LEU A 67 14.266 8.287 3.393 1.00 10.00 H new ATOM 0 HD23 LEU A 67 15.689 7.228 3.544 1.00 10.00 H new ATOM 1090 N LEU A 68 11.842 7.683 8.160 1.00 10.00 N ATOM 1091 CA LEU A 68 10.726 8.379 8.805 1.00 10.00 C ATOM 1092 C LEU A 68 11.012 8.611 10.292 1.00 10.00 C ATOM 1093 O LEU A 68 10.912 9.739 10.777 1.00 10.00 O ATOM 1094 CB LEU A 68 9.403 7.616 8.630 1.00 10.00 C ATOM 1095 CG LEU A 68 8.776 7.826 7.244 1.00 10.00 C ATOM 1096 CD1 LEU A 68 7.672 6.794 7.008 1.00 10.00 C ATOM 1097 CD2 LEU A 68 8.120 9.208 7.123 1.00 10.00 C ATOM 0 H LEU A 68 11.625 6.743 7.827 1.00 10.00 H new ATOM 0 HA LEU A 68 10.622 9.346 8.314 1.00 10.00 H new ATOM 0 HB2 LEU A 68 9.579 6.552 8.787 1.00 10.00 H new ATOM 0 HB3 LEU A 68 8.698 7.939 9.396 1.00 10.00 H new ATOM 0 HG LEU A 68 9.582 7.729 6.516 1.00 10.00 H new ATOM 0 HD11 LEU A 68 7.233 6.950 6.023 1.00 10.00 H new ATOM 0 HD12 LEU A 68 8.094 5.791 7.062 1.00 10.00 H new ATOM 0 HD13 LEU A 68 6.901 6.905 7.771 1.00 10.00 H new ATOM 0 HD21 LEU A 68 7.687 9.320 6.129 1.00 10.00 H new ATOM 0 HD22 LEU A 68 7.335 9.305 7.873 1.00 10.00 H new ATOM 0 HD23 LEU A 68 8.871 9.982 7.281 1.00 10.00 H new ATOM 1109 N ALA A 69 11.366 7.552 11.024 1.00 10.00 N ATOM 1110 CA ALA A 69 11.722 7.660 12.433 1.00 10.00 C ATOM 1111 C ALA A 69 12.828 8.700 12.613 1.00 10.00 C ATOM 1112 O ALA A 69 12.727 9.563 13.477 1.00 10.00 O ATOM 1113 CB ALA A 69 12.141 6.287 12.966 1.00 10.00 C ATOM 0 H ALA A 69 11.413 6.602 10.655 1.00 10.00 H new ATOM 0 HA ALA A 69 10.858 7.993 13.008 1.00 10.00 H new ATOM 0 HB1 ALA A 69 12.407 6.371 14.020 1.00 10.00 H new ATOM 0 HB2 ALA A 69 11.314 5.586 12.855 1.00 10.00 H new ATOM 0 HB3 ALA A 69 13.001 5.925 12.403 1.00 10.00 H new ATOM 1119 N GLU A 70 13.864 8.648 11.773 1.00 10.00 N ATOM 1120 CA GLU A 70 14.955 9.605 11.781 1.00 10.00 C ATOM 1121 C GLU A 70 14.434 11.023 11.527 1.00 10.00 C ATOM 1122 O GLU A 70 14.829 11.948 12.227 1.00 10.00 O ATOM 1123 CB GLU A 70 16.010 9.178 10.753 1.00 10.00 C ATOM 1124 CG GLU A 70 17.292 10.017 10.806 1.00 10.00 C ATOM 1125 CD GLU A 70 18.017 9.891 12.143 1.00 10.00 C ATOM 1126 OE1 GLU A 70 18.747 8.888 12.296 1.00 10.00 O ATOM 1127 OE2 GLU A 70 17.827 10.795 12.985 1.00 10.00 O ATOM 0 H GLU A 70 13.963 7.926 11.060 1.00 10.00 H new ATOM 0 HA GLU A 70 15.427 9.619 12.764 1.00 10.00 H new ATOM 0 HB2 GLU A 70 16.264 8.131 10.918 1.00 10.00 H new ATOM 0 HB3 GLU A 70 15.581 9.248 9.754 1.00 10.00 H new ATOM 0 HG2 GLU A 70 17.960 9.705 10.003 1.00 10.00 H new ATOM 0 HG3 GLU A 70 17.045 11.064 10.627 1.00 10.00 H new ATOM 1134 N LYS A 71 13.555 11.219 10.540 1.00 10.00 N ATOM 1135 CA LYS A 71 12.950 12.519 10.276 1.00 10.00 C ATOM 1136 C LYS A 71 12.266 13.053 11.541 1.00 10.00 C ATOM 1137 O LYS A 71 12.589 14.151 11.995 1.00 10.00 O ATOM 1138 CB LYS A 71 12.028 12.402 9.054 1.00 10.00 C ATOM 1139 CG LYS A 71 11.256 13.661 8.646 1.00 10.00 C ATOM 1140 CD LYS A 71 12.160 14.884 8.484 1.00 10.00 C ATOM 1141 CE LYS A 71 11.465 15.971 7.658 1.00 10.00 C ATOM 1142 NZ LYS A 71 12.193 17.249 7.727 1.00 10.00 N ATOM 0 H LYS A 71 13.247 10.482 9.906 1.00 10.00 H new ATOM 0 HA LYS A 71 13.707 13.262 10.025 1.00 10.00 H new ATOM 0 HB2 LYS A 71 12.631 12.083 8.204 1.00 10.00 H new ATOM 0 HB3 LYS A 71 11.306 11.609 9.248 1.00 10.00 H new ATOM 0 HG2 LYS A 71 10.734 13.474 7.707 1.00 10.00 H new ATOM 0 HG3 LYS A 71 10.495 13.874 9.397 1.00 10.00 H new ATOM 0 HD2 LYS A 71 12.423 15.279 9.465 1.00 10.00 H new ATOM 0 HD3 LYS A 71 13.091 14.592 7.998 1.00 10.00 H new ATOM 0 HE2 LYS A 71 11.391 15.649 6.619 1.00 10.00 H new ATOM 0 HE3 LYS A 71 10.447 16.111 8.022 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 11.565 18.023 7.428 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 12.508 17.417 8.704 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 13.020 17.212 7.098 1.00 10.00 H new ATOM 1156 N ILE A 72 11.361 12.268 12.140 1.00 10.00 N ATOM 1157 CA ILE A 72 10.743 12.626 13.419 1.00 10.00 C ATOM 1158 C ILE A 72 11.817 13.007 14.445 1.00 10.00 C ATOM 1159 O ILE A 72 11.752 14.059 15.081 1.00 10.00 O ATOM 1160 CB ILE A 72 9.881 11.463 13.953 1.00 10.00 C ATOM 1161 CG1 ILE A 72 8.660 11.211 13.058 1.00 10.00 C ATOM 1162 CG2 ILE A 72 9.466 11.740 15.403 1.00 10.00 C ATOM 1163 CD1 ILE A 72 7.720 10.145 13.630 1.00 10.00 C ATOM 0 H ILE A 72 11.041 11.379 11.756 1.00 10.00 H new ATOM 0 HA ILE A 72 10.095 13.487 13.256 1.00 10.00 H new ATOM 0 HB ILE A 72 10.481 10.553 13.934 1.00 10.00 H new ATOM 0 HG12 ILE A 72 8.110 12.143 12.929 1.00 10.00 H new ATOM 0 HG13 ILE A 72 8.997 10.900 12.069 1.00 10.00 H new ATOM 0 HG21 ILE A 72 8.858 10.914 15.772 1.00 10.00 H new ATOM 0 HG22 ILE A 72 10.357 11.840 16.024 1.00 10.00 H new ATOM 0 HG23 ILE A 72 8.888 12.663 15.446 1.00 10.00 H new ATOM 0 HD11 ILE A 72 6.874 10.007 12.957 1.00 10.00 H new ATOM 0 HD12 ILE A 72 8.258 9.203 13.734 1.00 10.00 H new ATOM 0 HD13 ILE A 72 7.358 10.466 14.607 1.00 10.00 H new ATOM 1175 N TYR A 73 12.779 12.108 14.636 1.00 10.00 N ATOM 1176 CA TYR A 73 13.828 12.221 15.629 1.00 10.00 C ATOM 1177 C TYR A 73 14.569 13.543 15.478 1.00 10.00 C ATOM 1178 O TYR A 73 14.703 14.285 16.444 1.00 10.00 O ATOM 1179 CB TYR A 73 14.752 11.020 15.476 1.00 10.00 C ATOM 1180 CG TYR A 73 15.727 10.799 16.600 1.00 10.00 C ATOM 1181 CD1 TYR A 73 17.014 11.362 16.555 1.00 10.00 C ATOM 1182 CD2 TYR A 73 15.374 9.923 17.638 1.00 10.00 C ATOM 1183 CE1 TYR A 73 17.948 11.049 17.557 1.00 10.00 C ATOM 1184 CE2 TYR A 73 16.322 9.570 18.604 1.00 10.00 C ATOM 1185 CZ TYR A 73 17.612 10.125 18.563 1.00 10.00 C ATOM 1186 OH TYR A 73 18.518 9.815 19.532 1.00 10.00 O ATOM 0 H TYR A 73 12.846 11.254 14.082 1.00 10.00 H new ATOM 0 HA TYR A 73 13.408 12.219 16.635 1.00 10.00 H new ATOM 0 HB2 TYR A 73 14.139 10.125 15.370 1.00 10.00 H new ATOM 0 HB3 TYR A 73 15.314 11.133 14.549 1.00 10.00 H new ATOM 0 HD1 TYR A 73 17.284 12.033 15.753 1.00 10.00 H new ATOM 0 HD2 TYR A 73 14.372 9.522 17.691 1.00 10.00 H new ATOM 0 HE1 TYR A 73 18.921 11.517 17.555 1.00 10.00 H new ATOM 0 HE2 TYR A 73 16.062 8.869 19.383 1.00 10.00 H new ATOM 0 HH TYR A 73 19.101 10.586 19.693 1.00 10.00 H new ATOM 1196 N LYS A 74 15.024 13.844 14.263 1.00 10.00 N ATOM 1197 CA LYS A 74 15.651 15.116 13.932 1.00 10.00 C ATOM 1198 C LYS A 74 14.737 16.293 14.271 1.00 10.00 C ATOM 1199 O LYS A 74 15.177 17.223 14.945 1.00 10.00 O ATOM 1200 CB LYS A 74 16.074 15.169 12.460 1.00 10.00 C ATOM 1201 CG LYS A 74 17.296 14.273 12.211 1.00 10.00 C ATOM 1202 CD LYS A 74 17.940 14.527 10.842 1.00 10.00 C ATOM 1203 CE LYS A 74 18.695 15.865 10.805 1.00 10.00 C ATOM 1204 NZ LYS A 74 19.427 16.034 9.537 1.00 10.00 N ATOM 0 H LYS A 74 14.965 13.201 13.473 1.00 10.00 H new ATOM 0 HA LYS A 74 16.550 15.198 14.543 1.00 10.00 H new ATOM 0 HB2 LYS A 74 15.247 14.847 11.827 1.00 10.00 H new ATOM 0 HB3 LYS A 74 16.308 16.196 12.181 1.00 10.00 H new ATOM 0 HG2 LYS A 74 18.034 14.445 12.994 1.00 10.00 H new ATOM 0 HG3 LYS A 74 16.996 13.227 12.280 1.00 10.00 H new ATOM 0 HD2 LYS A 74 18.628 13.715 10.608 1.00 10.00 H new ATOM 0 HD3 LYS A 74 17.169 14.523 10.071 1.00 10.00 H new ATOM 0 HE2 LYS A 74 17.990 16.686 10.932 1.00 10.00 H new ATOM 0 HE3 LYS A 74 19.394 15.913 11.640 1.00 10.00 H new ATOM 0 HZ1 LYS A 74 19.926 16.946 9.543 1.00 10.00 H new ATOM 0 HZ2 LYS A 74 20.117 15.263 9.429 1.00 10.00 H new ATOM 0 HZ3 LYS A 74 18.756 16.012 8.743 1.00 10.00 H new ATOM 1218 N ILE A 75 13.479 16.269 13.813 1.00 10.00 N ATOM 1219 CA ILE A 75 12.520 17.317 14.152 1.00 10.00 C ATOM 1220 C ILE A 75 12.506 17.525 15.665 1.00 10.00 C ATOM 1221 O ILE A 75 12.698 18.648 16.111 1.00 10.00 O ATOM 1222 CB ILE A 75 11.124 17.021 13.569 1.00 10.00 C ATOM 1223 CG1 ILE A 75 11.202 17.070 12.031 1.00 10.00 C ATOM 1224 CG2 ILE A 75 10.120 18.073 14.069 1.00 10.00 C ATOM 1225 CD1 ILE A 75 9.952 16.498 11.354 1.00 10.00 C ATOM 0 H ILE A 75 13.107 15.536 13.209 1.00 10.00 H new ATOM 0 HA ILE A 75 12.833 18.254 13.691 1.00 10.00 H new ATOM 0 HB ILE A 75 10.794 16.033 13.890 1.00 10.00 H new ATOM 0 HG12 ILE A 75 11.342 18.103 11.712 1.00 10.00 H new ATOM 0 HG13 ILE A 75 12.077 16.512 11.698 1.00 10.00 H new ATOM 0 HG21 ILE A 75 9.134 17.861 13.655 1.00 10.00 H new ATOM 0 HG22 ILE A 75 10.071 18.041 15.157 1.00 10.00 H new ATOM 0 HG23 ILE A 75 10.442 19.064 13.749 1.00 10.00 H new ATOM 0 HD11 ILE A 75 10.064 16.559 10.272 1.00 10.00 H new ATOM 0 HD12 ILE A 75 9.824 15.456 11.647 1.00 10.00 H new ATOM 0 HD13 ILE A 75 9.077 17.071 11.661 1.00 10.00 H new ATOM 1237 N GLN A 76 12.330 16.478 16.470 1.00 10.00 N ATOM 1238 CA GLN A 76 12.353 16.648 17.918 1.00 10.00 C ATOM 1239 C GLN A 76 13.714 17.156 18.420 1.00 10.00 C ATOM 1240 O GLN A 76 13.765 18.076 19.227 1.00 10.00 O ATOM 1241 CB GLN A 76 11.919 15.352 18.613 1.00 10.00 C ATOM 1242 CG GLN A 76 10.395 15.138 18.528 1.00 10.00 C ATOM 1243 CD GLN A 76 9.598 16.119 19.396 1.00 10.00 C ATOM 1244 OE1 GLN A 76 10.150 16.949 20.116 1.00 10.00 O ATOM 1245 NE2 GLN A 76 8.276 16.019 19.390 1.00 10.00 N ATOM 0 H GLN A 76 12.173 15.522 16.151 1.00 10.00 H new ATOM 0 HA GLN A 76 11.633 17.423 18.180 1.00 10.00 H new ATOM 0 HB2 GLN A 76 12.431 14.505 18.155 1.00 10.00 H new ATOM 0 HB3 GLN A 76 12.224 15.381 19.659 1.00 10.00 H new ATOM 0 HG2 GLN A 76 10.078 15.240 17.490 1.00 10.00 H new ATOM 0 HG3 GLN A 76 10.160 14.119 18.834 1.00 10.00 H new ATOM 0 HE21 GLN A 76 7.819 15.330 18.792 1.00 10.00 H new ATOM 0 HE22 GLN A 76 7.716 16.631 19.983 1.00 10.00 H new ATOM 1254 N LYS A 77 14.828 16.589 17.963 1.00 10.00 N ATOM 1255 CA LYS A 77 16.157 17.003 18.403 1.00 10.00 C ATOM 1256 C LYS A 77 16.388 18.499 18.166 1.00 10.00 C ATOM 1257 O LYS A 77 16.945 19.178 19.024 1.00 10.00 O ATOM 1258 CB LYS A 77 17.226 16.132 17.727 1.00 10.00 C ATOM 1259 CG LYS A 77 17.196 14.681 18.231 1.00 10.00 C ATOM 1260 CD LYS A 77 18.249 14.386 19.310 1.00 10.00 C ATOM 1261 CE LYS A 77 18.107 15.273 20.552 1.00 10.00 C ATOM 1262 NZ LYS A 77 19.005 14.821 21.628 1.00 10.00 N ATOM 0 H LYS A 77 14.835 15.832 17.279 1.00 10.00 H new ATOM 0 HA LYS A 77 16.233 16.852 19.480 1.00 10.00 H new ATOM 0 HB2 LYS A 77 17.072 16.143 16.648 1.00 10.00 H new ATOM 0 HB3 LYS A 77 18.211 16.559 17.913 1.00 10.00 H new ATOM 0 HG2 LYS A 77 16.206 14.464 18.632 1.00 10.00 H new ATOM 0 HG3 LYS A 77 17.353 14.008 17.388 1.00 10.00 H new ATOM 0 HD2 LYS A 77 18.171 13.340 19.608 1.00 10.00 H new ATOM 0 HD3 LYS A 77 19.243 14.524 18.885 1.00 10.00 H new ATOM 0 HE2 LYS A 77 18.335 16.307 20.293 1.00 10.00 H new ATOM 0 HE3 LYS A 77 17.075 15.253 20.902 1.00 10.00 H new ATOM 0 HZ1 LYS A 77 18.890 15.437 22.458 1.00 10.00 H new ATOM 0 HZ2 LYS A 77 18.769 13.842 21.889 1.00 10.00 H new ATOM 0 HZ3 LYS A 77 19.991 14.864 21.299 1.00 10.00 H new ATOM 1276 N GLU A 78 15.945 19.008 17.015 1.00 10.00 N ATOM 1277 CA GLU A 78 16.052 20.418 16.670 1.00 10.00 C ATOM 1278 C GLU A 78 14.969 21.257 17.374 1.00 10.00 C ATOM 1279 O GLU A 78 15.264 22.168 18.141 1.00 10.00 O ATOM 1280 CB GLU A 78 15.973 20.566 15.141 1.00 10.00 C ATOM 1281 CG GLU A 78 17.170 19.932 14.415 1.00 10.00 C ATOM 1282 CD GLU A 78 18.501 20.574 14.796 1.00 10.00 C ATOM 1283 OE1 GLU A 78 18.680 21.760 14.443 1.00 10.00 O ATOM 1284 OE2 GLU A 78 19.313 19.868 15.433 1.00 10.00 O ATOM 0 H GLU A 78 15.498 18.444 16.292 1.00 10.00 H new ATOM 0 HA GLU A 78 17.012 20.798 17.018 1.00 10.00 H new ATOM 0 HB2 GLU A 78 15.052 20.105 14.784 1.00 10.00 H new ATOM 0 HB3 GLU A 78 15.919 21.624 14.886 1.00 10.00 H new ATOM 0 HG2 GLU A 78 17.206 18.867 14.645 1.00 10.00 H new ATOM 0 HG3 GLU A 78 17.024 20.020 13.338 1.00 10.00 H new ATOM 1490 N GLU B 89 16.742 11.502 26.304 1.00 10.00 N ATOM 1491 CA GLU B 89 16.998 10.056 26.307 1.00 10.00 C ATOM 1492 C GLU B 89 15.759 9.147 26.239 1.00 10.00 C ATOM 1493 O GLU B 89 15.508 8.498 25.224 1.00 10.00 O ATOM 1494 CB GLU B 89 17.893 9.694 27.504 1.00 10.00 C ATOM 1495 CG GLU B 89 19.143 10.581 27.571 1.00 10.00 C ATOM 1496 CD GLU B 89 20.120 10.085 28.632 1.00 10.00 C ATOM 1497 OE1 GLU B 89 19.854 10.373 29.819 1.00 10.00 O ATOM 1498 OE2 GLU B 89 21.103 9.424 28.237 1.00 10.00 O ATOM 0 HA GLU B 89 17.509 9.853 25.366 1.00 10.00 H new ATOM 0 HB2 GLU B 89 17.324 9.798 28.428 1.00 10.00 H new ATOM 0 HB3 GLU B 89 18.193 8.649 27.430 1.00 10.00 H new ATOM 0 HG2 GLU B 89 19.635 10.593 26.598 1.00 10.00 H new ATOM 0 HG3 GLU B 89 18.851 11.607 27.794 1.00 10.00 H new ATOM 1505 N LYS B 90 14.995 9.094 27.331 1.00 10.00 N ATOM 1506 CA LYS B 90 13.790 8.279 27.432 1.00 10.00 C ATOM 1507 C LYS B 90 12.850 8.564 26.260 1.00 10.00 C ATOM 1508 O LYS B 90 12.469 7.660 25.515 1.00 10.00 O ATOM 1509 CB LYS B 90 13.087 8.558 28.768 1.00 10.00 C ATOM 1510 CG LYS B 90 13.908 8.069 29.969 1.00 10.00 C ATOM 1511 CD LYS B 90 13.173 8.418 31.269 1.00 10.00 C ATOM 1512 CE LYS B 90 13.968 7.946 32.490 1.00 10.00 C ATOM 1513 NZ LYS B 90 13.280 8.302 33.744 1.00 10.00 N ATOM 0 H LYS B 90 15.201 9.623 28.178 1.00 10.00 H new ATOM 0 HA LYS B 90 14.070 7.226 27.393 1.00 10.00 H new ATOM 0 HB2 LYS B 90 12.907 9.629 28.865 1.00 10.00 H new ATOM 0 HB3 LYS B 90 12.113 8.069 28.773 1.00 10.00 H new ATOM 0 HG2 LYS B 90 14.061 6.992 29.904 1.00 10.00 H new ATOM 0 HG3 LYS B 90 14.895 8.532 29.961 1.00 10.00 H new ATOM 0 HD2 LYS B 90 13.018 9.495 31.326 1.00 10.00 H new ATOM 0 HD3 LYS B 90 12.187 7.953 31.270 1.00 10.00 H new ATOM 0 HE2 LYS B 90 14.106 6.866 32.442 1.00 10.00 H new ATOM 0 HE3 LYS B 90 14.961 8.395 32.477 1.00 10.00 H new ATOM 0 HZ1 LYS B 90 13.841 7.970 34.554 1.00 10.00 H new ATOM 0 HZ2 LYS B 90 13.170 9.335 33.799 1.00 10.00 H new ATOM 0 HZ3 LYS B 90 12.342 7.853 33.765 1.00 10.00 H new ATOM 1527 N ARG B 91 12.519 9.845 26.080 1.00 10.00 N ATOM 1528 CA ARG B 91 11.671 10.287 24.986 1.00 10.00 C ATOM 1529 C ARG B 91 12.332 9.891 23.677 1.00 10.00 C ATOM 1530 O ARG B 91 11.682 9.327 22.812 1.00 10.00 O ATOM 1531 CB ARG B 91 11.324 11.790 25.091 1.00 10.00 C ATOM 1532 CG ARG B 91 11.980 12.781 24.104 1.00 10.00 C ATOM 1533 CD ARG B 91 11.524 12.692 22.635 1.00 10.00 C ATOM 1534 NE ARG B 91 10.057 12.720 22.518 1.00 10.00 N ATOM 1535 CZ ARG B 91 9.314 13.825 22.346 1.00 10.00 C ATOM 1536 NH1 ARG B 91 9.883 15.032 22.305 1.00 10.00 N ATOM 1537 NH2 ARG B 91 7.988 13.741 22.209 1.00 10.00 N ATOM 0 H ARG B 91 12.834 10.599 26.691 1.00 10.00 H new ATOM 0 HA ARG B 91 10.702 9.790 25.036 1.00 10.00 H new ATOM 0 HB2 ARG B 91 10.243 11.886 24.985 1.00 10.00 H new ATOM 0 HB3 ARG B 91 11.575 12.116 26.100 1.00 10.00 H new ATOM 0 HG2 ARG B 91 11.789 13.793 24.460 1.00 10.00 H new ATOM 0 HG3 ARG B 91 13.059 12.630 24.136 1.00 10.00 H new ATOM 0 HD2 ARG B 91 11.950 13.522 22.071 1.00 10.00 H new ATOM 0 HD3 ARG B 91 11.907 11.774 22.190 1.00 10.00 H new ATOM 0 HE ARG B 91 9.565 11.828 22.572 1.00 10.00 H new ATOM 0 HH11 ARG B 91 10.894 15.123 22.405 1.00 10.00 H new ATOM 0 HH12 ARG B 91 9.307 15.863 22.174 1.00 10.00 H new ATOM 0 HH21 ARG B 91 7.529 12.830 22.235 1.00 10.00 H new ATOM 0 HH22 ARG B 91 7.434 14.588 22.079 1.00 10.00 H new ATOM 1551 N ILE B 92 13.627 10.173 23.526 1.00 10.00 N ATOM 1552 CA ILE B 92 14.354 9.923 22.289 1.00 10.00 C ATOM 1553 C ILE B 92 14.177 8.466 21.835 1.00 10.00 C ATOM 1554 O ILE B 92 13.891 8.207 20.665 1.00 10.00 O ATOM 1555 CB ILE B 92 15.813 10.430 22.424 1.00 10.00 C ATOM 1556 CG1 ILE B 92 16.082 11.558 21.412 1.00 10.00 C ATOM 1557 CG2 ILE B 92 16.895 9.343 22.323 1.00 10.00 C ATOM 1558 CD1 ILE B 92 15.370 12.857 21.799 1.00 10.00 C ATOM 0 H ILE B 92 14.200 10.583 24.264 1.00 10.00 H new ATOM 0 HA ILE B 92 13.934 10.501 21.466 1.00 10.00 H new ATOM 0 HB ILE B 92 15.891 10.809 23.443 1.00 10.00 H new ATOM 0 HG12 ILE B 92 17.155 11.738 21.347 1.00 10.00 H new ATOM 0 HG13 ILE B 92 15.751 11.244 20.422 1.00 10.00 H new ATOM 0 HG21 ILE B 92 17.879 9.799 22.430 1.00 10.00 H new ATOM 0 HG22 ILE B 92 16.748 8.608 23.114 1.00 10.00 H new ATOM 0 HG23 ILE B 92 16.826 8.850 21.353 1.00 10.00 H new ATOM 0 HD11 ILE B 92 15.587 13.626 21.058 1.00 10.00 H new ATOM 0 HD12 ILE B 92 14.294 12.685 21.838 1.00 10.00 H new ATOM 0 HD13 ILE B 92 15.721 13.187 22.777 1.00 10.00 H new ATOM 1570 N LYS B 93 14.282 7.512 22.762 1.00 10.00 N ATOM 1571 CA LYS B 93 14.044 6.112 22.439 1.00 10.00 C ATOM 1572 C LYS B 93 12.558 5.820 22.205 1.00 10.00 C ATOM 1573 O LYS B 93 12.214 5.184 21.209 1.00 10.00 O ATOM 1574 CB LYS B 93 14.661 5.212 23.516 1.00 10.00 C ATOM 1575 CG LYS B 93 16.195 5.221 23.421 1.00 10.00 C ATOM 1576 CD LYS B 93 16.771 4.046 22.612 1.00 10.00 C ATOM 1577 CE LYS B 93 16.345 4.054 21.138 1.00 10.00 C ATOM 1578 NZ LYS B 93 17.065 3.034 20.356 1.00 10.00 N ATOM 0 H LYS B 93 14.529 7.686 23.736 1.00 10.00 H new ATOM 0 HA LYS B 93 14.539 5.887 21.494 1.00 10.00 H new ATOM 0 HB2 LYS B 93 14.351 5.554 24.503 1.00 10.00 H new ATOM 0 HB3 LYS B 93 14.291 4.193 23.401 1.00 10.00 H new ATOM 0 HG2 LYS B 93 16.517 6.157 22.965 1.00 10.00 H new ATOM 0 HG3 LYS B 93 16.613 5.197 24.427 1.00 10.00 H new ATOM 0 HD2 LYS B 93 17.859 4.075 22.668 1.00 10.00 H new ATOM 0 HD3 LYS B 93 16.453 3.109 23.069 1.00 10.00 H new ATOM 0 HE2 LYS B 93 15.272 3.875 21.069 1.00 10.00 H new ATOM 0 HE3 LYS B 93 16.532 5.039 20.711 1.00 10.00 H new ATOM 0 HZ1 LYS B 93 16.750 3.070 19.365 1.00 10.00 H new ATOM 0 HZ2 LYS B 93 18.087 3.219 20.402 1.00 10.00 H new ATOM 0 HZ3 LYS B 93 16.866 2.092 20.748 1.00 10.00 H new ATOM 1592 N GLU B 94 11.672 6.265 23.101 1.00 10.00 N ATOM 1593 CA GLU B 94 10.236 6.013 22.980 1.00 10.00 C ATOM 1594 C GLU B 94 9.685 6.526 21.640 1.00 10.00 C ATOM 1595 O GLU B 94 8.953 5.819 20.958 1.00 10.00 O ATOM 1596 CB GLU B 94 9.507 6.623 24.182 1.00 10.00 C ATOM 1597 CG GLU B 94 9.821 5.823 25.456 1.00 10.00 C ATOM 1598 CD GLU B 94 9.309 6.522 26.709 1.00 10.00 C ATOM 1599 OE1 GLU B 94 9.870 7.591 27.036 1.00 10.00 O ATOM 1600 OE2 GLU B 94 8.364 5.977 27.318 1.00 10.00 O ATOM 0 H GLU B 94 11.930 6.807 23.926 1.00 10.00 H new ATOM 0 HA GLU B 94 10.061 4.937 22.986 1.00 10.00 H new ATOM 0 HB2 GLU B 94 9.811 7.662 24.312 1.00 10.00 H new ATOM 0 HB3 GLU B 94 8.432 6.626 24.001 1.00 10.00 H new ATOM 0 HG2 GLU B 94 9.370 4.833 25.383 1.00 10.00 H new ATOM 0 HG3 GLU B 94 10.898 5.677 25.537 1.00 10.00 H new ATOM 1607 N LEU B 95 10.068 7.741 21.257 1.00 10.00 N ATOM 1608 CA LEU B 95 9.815 8.389 19.977 1.00 10.00 C ATOM 1609 C LEU B 95 10.139 7.437 18.820 1.00 10.00 C ATOM 1610 O LEU B 95 9.275 7.126 17.997 1.00 10.00 O ATOM 1611 CB LEU B 95 10.689 9.656 19.950 1.00 10.00 C ATOM 1612 CG LEU B 95 10.584 10.571 18.723 1.00 10.00 C ATOM 1613 CD1 LEU B 95 9.184 11.197 18.654 1.00 10.00 C ATOM 1614 CD2 LEU B 95 11.625 11.683 18.886 1.00 10.00 C ATOM 0 H LEU B 95 10.604 8.342 21.883 1.00 10.00 H new ATOM 0 HA LEU B 95 8.765 8.657 19.860 1.00 10.00 H new ATOM 0 HB2 LEU B 95 10.447 10.249 20.832 1.00 10.00 H new ATOM 0 HB3 LEU B 95 11.730 9.347 20.050 1.00 10.00 H new ATOM 0 HG LEU B 95 10.758 10.001 17.810 1.00 10.00 H new ATOM 0 HD11 LEU B 95 9.118 11.845 17.780 1.00 10.00 H new ATOM 0 HD12 LEU B 95 8.436 10.408 18.578 1.00 10.00 H new ATOM 0 HD13 LEU B 95 9.003 11.783 19.555 1.00 10.00 H new ATOM 0 HD21 LEU B 95 11.578 12.354 18.028 1.00 10.00 H new ATOM 0 HD22 LEU B 95 11.418 12.244 19.797 1.00 10.00 H new ATOM 0 HD23 LEU B 95 12.620 11.243 18.948 1.00 10.00 H new ATOM 1626 N GLU B 96 11.387 6.961 18.770 1.00 10.00 N ATOM 1627 CA GLU B 96 11.842 6.033 17.744 1.00 10.00 C ATOM 1628 C GLU B 96 10.981 4.760 17.756 1.00 10.00 C ATOM 1629 O GLU B 96 10.410 4.366 16.736 1.00 10.00 O ATOM 1630 CB GLU B 96 13.336 5.752 17.980 1.00 10.00 C ATOM 1631 CG GLU B 96 13.962 4.873 16.892 1.00 10.00 C ATOM 1632 CD GLU B 96 15.454 4.679 17.148 1.00 10.00 C ATOM 1633 OE1 GLU B 96 16.229 5.535 16.671 1.00 10.00 O ATOM 1634 OE2 GLU B 96 15.789 3.686 17.830 1.00 10.00 O ATOM 0 H GLU B 96 12.109 7.213 19.445 1.00 10.00 H new ATOM 0 HA GLU B 96 11.729 6.463 16.749 1.00 10.00 H new ATOM 0 HB2 GLU B 96 13.874 6.699 18.028 1.00 10.00 H new ATOM 0 HB3 GLU B 96 13.460 5.265 18.947 1.00 10.00 H new ATOM 0 HG2 GLU B 96 13.463 3.904 16.868 1.00 10.00 H new ATOM 0 HG3 GLU B 96 13.812 5.333 15.915 1.00 10.00 H new ATOM 1641 N LEU B 97 10.890 4.120 18.925 1.00 10.00 N ATOM 1642 CA LEU B 97 10.174 2.867 19.129 1.00 10.00 C ATOM 1643 C LEU B 97 8.714 2.977 18.676 1.00 10.00 C ATOM 1644 O LEU B 97 8.198 2.075 18.021 1.00 10.00 O ATOM 1645 CB LEU B 97 10.292 2.471 20.609 1.00 10.00 C ATOM 1646 CG LEU B 97 9.550 1.183 21.002 1.00 10.00 C ATOM 1647 CD1 LEU B 97 10.055 -0.042 20.231 1.00 10.00 C ATOM 1648 CD2 LEU B 97 9.742 0.951 22.506 1.00 10.00 C ATOM 0 H LEU B 97 11.326 4.473 19.777 1.00 10.00 H new ATOM 0 HA LEU B 97 10.621 2.084 18.516 1.00 10.00 H new ATOM 0 HB2 LEU B 97 11.347 2.353 20.854 1.00 10.00 H new ATOM 0 HB3 LEU B 97 9.913 3.291 21.219 1.00 10.00 H new ATOM 0 HG LEU B 97 8.497 1.310 20.752 1.00 10.00 H new ATOM 0 HD11 LEU B 97 9.499 -0.925 20.546 1.00 10.00 H new ATOM 0 HD12 LEU B 97 9.911 0.116 19.162 1.00 10.00 H new ATOM 0 HD13 LEU B 97 11.115 -0.189 20.436 1.00 10.00 H new ATOM 0 HD21 LEU B 97 9.222 0.040 22.803 1.00 10.00 H new ATOM 0 HD22 LEU B 97 10.805 0.850 22.726 1.00 10.00 H new ATOM 0 HD23 LEU B 97 9.336 1.798 23.059 1.00 10.00 H new ATOM 1660 N LEU B 98 8.037 4.070 19.026 1.00 10.00 N ATOM 1661 CA LEU B 98 6.648 4.312 18.672 1.00 10.00 C ATOM 1662 C LEU B 98 6.479 4.265 17.154 1.00 10.00 C ATOM 1663 O LEU B 98 5.631 3.528 16.648 1.00 10.00 O ATOM 1664 CB LEU B 98 6.203 5.656 19.270 1.00 10.00 C ATOM 1665 CG LEU B 98 4.771 6.076 18.899 1.00 10.00 C ATOM 1666 CD1 LEU B 98 3.730 5.080 19.424 1.00 10.00 C ATOM 1667 CD2 LEU B 98 4.489 7.466 19.481 1.00 10.00 C ATOM 0 H LEU B 98 8.451 4.824 19.574 1.00 10.00 H new ATOM 0 HA LEU B 98 6.009 3.533 19.087 1.00 10.00 H new ATOM 0 HB2 LEU B 98 6.282 5.600 20.356 1.00 10.00 H new ATOM 0 HB3 LEU B 98 6.893 6.433 18.940 1.00 10.00 H new ATOM 0 HG LEU B 98 4.694 6.094 17.812 1.00 10.00 H new ATOM 0 HD11 LEU B 98 2.732 5.414 19.140 1.00 10.00 H new ATOM 0 HD12 LEU B 98 3.919 4.096 18.995 1.00 10.00 H new ATOM 0 HD13 LEU B 98 3.798 5.021 20.510 1.00 10.00 H new ATOM 0 HD21 LEU B 98 3.475 7.770 19.222 1.00 10.00 H new ATOM 0 HD22 LEU B 98 4.592 7.434 20.566 1.00 10.00 H new ATOM 0 HD23 LEU B 98 5.199 8.183 19.070 1.00 10.00 H new ATOM 1679 N LEU B 99 7.291 5.034 16.418 1.00 10.00 N ATOM 1680 CA LEU B 99 7.205 5.033 14.962 1.00 10.00 C ATOM 1681 C LEU B 99 7.455 3.615 14.439 1.00 10.00 C ATOM 1682 O LEU B 99 6.631 3.093 13.694 1.00 10.00 O ATOM 1683 CB LEU B 99 8.130 6.101 14.350 1.00 10.00 C ATOM 1684 CG LEU B 99 7.767 6.562 12.922 1.00 10.00 C ATOM 1685 CD1 LEU B 99 7.946 5.480 11.856 1.00 10.00 C ATOM 1686 CD2 LEU B 99 6.345 7.128 12.826 1.00 10.00 C ATOM 0 H LEU B 99 8.003 5.654 16.804 1.00 10.00 H new ATOM 0 HA LEU B 99 6.201 5.315 14.645 1.00 10.00 H new ATOM 0 HB2 LEU B 99 8.131 6.973 15.004 1.00 10.00 H new ATOM 0 HB3 LEU B 99 9.148 5.710 14.338 1.00 10.00 H new ATOM 0 HG LEU B 99 8.484 7.356 12.716 1.00 10.00 H new ATOM 0 HD11 LEU B 99 7.671 5.881 10.881 1.00 10.00 H new ATOM 0 HD12 LEU B 99 8.987 5.158 11.835 1.00 10.00 H new ATOM 0 HD13 LEU B 99 7.308 4.628 12.091 1.00 10.00 H new ATOM 0 HD21 LEU B 99 6.145 7.436 11.800 1.00 10.00 H new ATOM 0 HD22 LEU B 99 5.628 6.362 13.122 1.00 10.00 H new ATOM 0 HD23 LEU B 99 6.250 7.989 13.488 1.00 10.00 H new ATOM 1698 N MET B 100 8.537 2.960 14.876 1.00 10.00 N ATOM 1699 CA MET B 100 8.811 1.567 14.516 1.00 10.00 C ATOM 1700 C MET B 100 7.590 0.659 14.763 1.00 10.00 C ATOM 1701 O MET B 100 7.268 -0.197 13.941 1.00 10.00 O ATOM 1702 CB MET B 100 10.043 1.060 15.283 1.00 10.00 C ATOM 1703 CG MET B 100 11.341 1.785 14.897 1.00 10.00 C ATOM 1704 SD MET B 100 12.055 1.324 13.298 1.00 10.00 S ATOM 1705 CE MET B 100 13.503 2.404 13.282 1.00 10.00 C ATOM 0 H MET B 100 9.241 3.378 15.484 1.00 10.00 H new ATOM 0 HA MET B 100 9.021 1.529 13.447 1.00 10.00 H new ATOM 0 HB2 MET B 100 9.872 1.182 16.353 1.00 10.00 H new ATOM 0 HB3 MET B 100 10.163 -0.008 15.099 1.00 10.00 H new ATOM 0 HG2 MET B 100 11.148 2.858 14.892 1.00 10.00 H new ATOM 0 HG3 MET B 100 12.084 1.598 15.673 1.00 10.00 H new ATOM 0 HE1 MET B 100 14.062 2.249 12.359 1.00 10.00 H new ATOM 0 HE2 MET B 100 13.182 3.444 13.341 1.00 10.00 H new ATOM 0 HE3 MET B 100 14.140 2.172 14.136 1.00 10.00 H new ATOM 1715 N SER B 101 6.910 0.837 15.900 1.00 10.00 N ATOM 1716 CA SER B 101 5.814 -0.022 16.331 1.00 10.00 C ATOM 1717 C SER B 101 4.582 0.029 15.422 1.00 10.00 C ATOM 1718 O SER B 101 3.936 -1.007 15.269 1.00 10.00 O ATOM 1719 CB SER B 101 5.409 0.314 17.771 1.00 10.00 C ATOM 1720 OG SER B 101 6.477 0.035 18.654 1.00 10.00 O ATOM 0 H SER B 101 7.112 1.594 16.553 1.00 10.00 H new ATOM 0 HA SER B 101 6.197 -1.041 16.270 1.00 10.00 H new ATOM 0 HB2 SER B 101 5.133 1.366 17.843 1.00 10.00 H new ATOM 0 HB3 SER B 101 4.531 -0.266 18.055 1.00 10.00 H new ATOM 0 HG SER B 101 7.184 0.702 18.533 1.00 10.00 H new ATOM 1726 N THR B 102 4.243 1.198 14.862 1.00 10.00 N ATOM 1727 CA THR B 102 2.994 1.498 14.148 1.00 10.00 C ATOM 1728 C THR B 102 2.197 0.293 13.622 1.00 10.00 C ATOM 1729 O THR B 102 1.064 0.092 14.054 1.00 10.00 O ATOM 1730 CB THR B 102 3.241 2.538 13.047 1.00 10.00 C ATOM 1731 OG1 THR B 102 3.946 3.630 13.597 1.00 10.00 O ATOM 1732 CG2 THR B 102 1.923 3.076 12.478 1.00 10.00 C ATOM 0 H THR B 102 4.867 2.004 14.897 1.00 10.00 H new ATOM 0 HA THR B 102 2.337 1.912 14.913 1.00 10.00 H new ATOM 0 HB THR B 102 3.805 2.054 12.250 1.00 10.00 H new ATOM 0 HG1 THR B 102 4.908 3.447 13.567 1.00 10.00 H new ATOM 0 HG21 THR B 102 2.135 3.810 11.701 1.00 10.00 H new ATOM 0 HG22 THR B 102 1.348 2.254 12.053 1.00 10.00 H new ATOM 0 HG23 THR B 102 1.348 3.547 13.275 1.00 10.00 H new ATOM 1740 N GLU B 103 2.737 -0.506 12.695 1.00 10.00 N ATOM 1741 CA GLU B 103 2.011 -1.636 12.111 1.00 10.00 C ATOM 1742 C GLU B 103 1.360 -2.555 13.155 1.00 10.00 C ATOM 1743 O GLU B 103 0.249 -3.044 12.964 1.00 10.00 O ATOM 1744 CB GLU B 103 2.925 -2.418 11.166 1.00 10.00 C ATOM 1745 CG GLU B 103 4.193 -2.971 11.837 1.00 10.00 C ATOM 1746 CD GLU B 103 5.166 -3.554 10.816 1.00 10.00 C ATOM 1747 OE1 GLU B 103 5.323 -2.922 9.747 1.00 10.00 O ATOM 1748 OE2 GLU B 103 5.760 -4.609 11.123 1.00 10.00 O ATOM 0 H GLU B 103 3.683 -0.388 12.332 1.00 10.00 H new ATOM 0 HA GLU B 103 1.182 -1.217 11.540 1.00 10.00 H new ATOM 0 HB2 GLU B 103 2.363 -3.247 10.737 1.00 10.00 H new ATOM 0 HB3 GLU B 103 3.217 -1.769 10.340 1.00 10.00 H new ATOM 0 HG2 GLU B 103 4.686 -2.175 12.395 1.00 10.00 H new ATOM 0 HG3 GLU B 103 3.917 -3.741 12.557 1.00 10.00 H new ATOM 1755 N ASN B 104 2.042 -2.779 14.274 1.00 10.00 N ATOM 1756 CA ASN B 104 1.528 -3.596 15.367 1.00 10.00 C ATOM 1757 C ASN B 104 0.260 -2.968 15.950 1.00 10.00 C ATOM 1758 O ASN B 104 -0.673 -3.680 16.308 1.00 10.00 O ATOM 1759 CB ASN B 104 2.603 -3.790 16.447 1.00 10.00 C ATOM 1760 CG ASN B 104 3.859 -4.459 15.894 1.00 10.00 C ATOM 1761 OD1 ASN B 104 3.974 -5.679 15.899 1.00 10.00 O ATOM 1762 ND2 ASN B 104 4.811 -3.669 15.405 1.00 10.00 N ATOM 0 H ASN B 104 2.971 -2.397 14.448 1.00 10.00 H new ATOM 0 HA ASN B 104 1.267 -4.580 14.977 1.00 10.00 H new ATOM 0 HB2 ASN B 104 2.866 -2.822 16.874 1.00 10.00 H new ATOM 0 HB3 ASN B 104 2.197 -4.396 17.257 1.00 10.00 H new ATOM 0 HD21 ASN B 104 5.664 -4.076 15.021 1.00 10.00 H new ATOM 0 HD22 ASN B 104 4.688 -2.656 15.414 1.00 10.00 H new