USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 854 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 102 GLN : amide:sc= 0.144 X(o=0.36,f=-0.0075) USER MOD Set 1.2: A 105 GLN : amide:sc= 0.212 K(o=0.36,f=-1.9) USER MOD Set 2.1: A 42 LYS NZ :NH3+ -158:sc= 1.25 (180deg=0) USER MOD Set 2.2: A 46 GLN : amide:sc= 1.06 K(o=2.3,f=-4.9) USER MOD Set 3.1: A 37 ASN : amide:sc= 1.57 K(o=3.5,f=-5.9!) USER MOD Set 3.2: A 77 HIS : no HE2:sc= -0.0117 K(o=3.5,f=-3.4!) USER MOD Set 3.3: A 81 HIS : no HE2:sc= 1.44 K(o=3.5,f=-14!) USER MOD Set 3.4: A 100 HIS : +bothHN:sc= 0.475 K(o=3.5,f=-13!) USER MOD Single : A 9 LYS NZ :NH3+ 147:sc= 1.27 (180deg=1.16) USER MOD Single : A 12 GLN : amide:sc= -0.651 K(o=-0.65,f=-1.4) USER MOD Single : A 13 GLN : amide:sc= -0.0457 X(o=-0.046,f=-0.46) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc=-0.00133 (180deg=-0.106) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= 1.18 (180deg=0.984) USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= 1.2 (180deg=0.883) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0495) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.12) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= -0.0629 (180deg=-0.315) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0273) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 154:sc= -3.98! (180deg=-5.16!) USER MOD Single : A 60 ASN : amide:sc= -0.104 K(o=-0.1,f=-2.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.16) USER MOD Single : A 82 LYS NZ :NH3+ 156:sc= 1.26 (180deg=1.18) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 78:sc= 1.26 USER MOD Single : A 98 GLN :FLIP amide:sc= -0.0372 F(o=-1.8,f=-0.037) USER MOD Single : A 99 GLN : amide:sc= 0.405 X(o=0.41,f=-0.0013) USER MOD Single : A 107 HIS : +bothHN:sc= 1.56 K(o=1.6,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 6 -8.589 4.761 10.732 1.00 0.00 N ATOM 91 CA GLU A 6 -9.056 3.642 9.927 1.00 0.00 C ATOM 92 C GLU A 6 -8.177 3.470 8.696 1.00 0.00 C ATOM 93 O GLU A 6 -7.828 2.355 8.314 1.00 0.00 O ATOM 94 CB GLU A 6 -10.503 3.883 9.506 1.00 0.00 C ATOM 95 CG GLU A 6 -11.435 4.135 10.678 1.00 0.00 C ATOM 96 CD GLU A 6 -11.600 2.922 11.568 1.00 0.00 C ATOM 97 OE1 GLU A 6 -10.700 2.644 12.384 1.00 0.00 O ATOM 98 OE2 GLU A 6 -12.646 2.251 11.464 1.00 0.00 O ATOM 0 HA GLU A 6 -9.000 2.731 10.522 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.540 4.738 8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.860 3.019 8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.050 4.965 11.271 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.412 4.439 10.301 1.00 0.00 H new ATOM 105 N LEU A 7 -7.817 4.593 8.089 1.00 0.00 N ATOM 106 CA LEU A 7 -6.977 4.605 6.900 1.00 0.00 C ATOM 107 C LEU A 7 -5.601 4.024 7.209 1.00 0.00 C ATOM 108 O LEU A 7 -5.017 3.308 6.392 1.00 0.00 O ATOM 109 CB LEU A 7 -6.846 6.038 6.381 1.00 0.00 C ATOM 110 CG LEU A 7 -6.183 6.183 5.013 1.00 0.00 C ATOM 111 CD1 LEU A 7 -7.019 5.502 3.940 1.00 0.00 C ATOM 112 CD2 LEU A 7 -5.976 7.653 4.684 1.00 0.00 C ATOM 0 H LEU A 7 -8.099 5.520 8.407 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.441 3.986 6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.841 6.481 6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.274 6.618 7.106 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.209 5.695 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.531 5.616 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.118 4.442 4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.008 5.960 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.503 7.744 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.940 8.162 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.337 8.109 5.440 1.00 0.00 H new ATOM 124 N LEU A 8 -5.101 4.332 8.403 1.00 0.00 N ATOM 125 CA LEU A 8 -3.813 3.827 8.864 1.00 0.00 C ATOM 126 C LEU A 8 -3.791 2.307 8.826 1.00 0.00 C ATOM 127 O LEU A 8 -2.808 1.700 8.408 1.00 0.00 O ATOM 128 CB LEU A 8 -3.553 4.314 10.289 1.00 0.00 C ATOM 129 CG LEU A 8 -2.153 4.028 10.839 1.00 0.00 C ATOM 130 CD1 LEU A 8 -1.088 4.685 9.975 1.00 0.00 C ATOM 131 CD2 LEU A 8 -2.042 4.508 12.279 1.00 0.00 C ATOM 0 H LEU A 8 -5.575 4.936 9.074 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.032 4.201 8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.725 5.390 10.324 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.286 3.853 10.951 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.990 2.950 10.817 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.102 4.468 10.385 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.152 4.295 8.959 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.246 5.763 9.960 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.041 4.298 12.656 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.227 5.581 12.320 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.778 3.989 12.893 1.00 0.00 H new ATOM 143 N LYS A 9 -4.896 1.709 9.250 1.00 0.00 N ATOM 144 CA LYS A 9 -5.030 0.254 9.285 1.00 0.00 C ATOM 145 C LYS A 9 -4.801 -0.360 7.910 1.00 0.00 C ATOM 146 O LYS A 9 -4.101 -1.363 7.781 1.00 0.00 O ATOM 147 CB LYS A 9 -6.423 -0.140 9.771 1.00 0.00 C ATOM 148 CG LYS A 9 -6.735 0.287 11.191 1.00 0.00 C ATOM 149 CD LYS A 9 -8.204 0.070 11.498 1.00 0.00 C ATOM 150 CE LYS A 9 -8.517 0.291 12.964 1.00 0.00 C ATOM 151 NZ LYS A 9 -9.974 0.170 13.233 1.00 0.00 N ATOM 0 H LYS A 9 -5.721 2.212 9.578 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.273 -0.124 9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.165 0.296 9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.527 -1.223 9.699 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.123 -0.281 11.891 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.480 1.338 11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.805 0.749 10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.487 -0.944 11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.973 -0.436 13.567 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.171 1.279 13.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.120 -0.226 14.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.416 1.110 13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.406 -0.459 12.526 1.00 0.00 H new ATOM 165 N ALA A 10 -5.398 0.244 6.890 1.00 0.00 N ATOM 166 CA ALA A 10 -5.283 -0.262 5.527 1.00 0.00 C ATOM 167 C ALA A 10 -3.832 -0.234 5.061 1.00 0.00 C ATOM 168 O ALA A 10 -3.345 -1.182 4.441 1.00 0.00 O ATOM 169 CB ALA A 10 -6.165 0.545 4.585 1.00 0.00 C ATOM 0 H ALA A 10 -5.967 1.086 6.980 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.623 -1.298 5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.068 0.155 3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.204 0.469 4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.856 1.590 4.603 1.00 0.00 H new ATOM 175 N GLU A 11 -3.142 0.854 5.385 1.00 0.00 N ATOM 176 CA GLU A 11 -1.742 1.010 5.025 1.00 0.00 C ATOM 177 C GLU A 11 -0.884 0.008 5.802 1.00 0.00 C ATOM 178 O GLU A 11 -0.006 -0.651 5.242 1.00 0.00 O ATOM 179 CB GLU A 11 -1.289 2.446 5.317 1.00 0.00 C ATOM 180 CG GLU A 11 0.090 2.785 4.773 1.00 0.00 C ATOM 181 CD GLU A 11 0.137 2.802 3.259 1.00 0.00 C ATOM 182 OE1 GLU A 11 0.098 1.741 2.634 1.00 0.00 O ATOM 183 OE2 GLU A 11 0.236 3.888 2.656 1.00 0.00 O ATOM 0 H GLU A 11 -3.534 1.643 5.899 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.621 0.813 3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.016 3.138 4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.291 2.604 6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.395 3.760 5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.811 2.058 5.146 1.00 0.00 H new ATOM 190 N GLN A 12 -1.170 -0.118 7.097 1.00 0.00 N ATOM 191 CA GLN A 12 -0.446 -1.040 7.967 1.00 0.00 C ATOM 192 C GLN A 12 -0.639 -2.488 7.518 1.00 0.00 C ATOM 193 O GLN A 12 0.297 -3.290 7.562 1.00 0.00 O ATOM 194 CB GLN A 12 -0.912 -0.881 9.420 1.00 0.00 C ATOM 195 CG GLN A 12 -0.560 0.464 10.035 1.00 0.00 C ATOM 196 CD GLN A 12 -1.053 0.596 11.462 1.00 0.00 C ATOM 197 OE1 GLN A 12 -2.058 -0.006 11.844 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.364 1.395 12.262 1.00 0.00 N ATOM 0 H GLN A 12 -1.904 0.411 7.568 1.00 0.00 H new ATOM 0 HA GLN A 12 0.615 -0.797 7.901 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.993 -1.017 9.462 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.467 -1.673 10.023 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.522 0.598 10.014 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.992 1.261 9.430 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.463 1.878 11.911 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.661 1.528 13.229 1.00 0.00 H new ATOM 207 N GLN A 13 -1.855 -2.816 7.091 1.00 0.00 N ATOM 208 CA GLN A 13 -2.166 -4.164 6.626 1.00 0.00 C ATOM 209 C GLN A 13 -1.326 -4.516 5.407 1.00 0.00 C ATOM 210 O GLN A 13 -0.779 -5.612 5.311 1.00 0.00 O ATOM 211 CB GLN A 13 -3.652 -4.284 6.281 1.00 0.00 C ATOM 212 CG GLN A 13 -4.073 -5.688 5.858 1.00 0.00 C ATOM 213 CD GLN A 13 -3.845 -6.730 6.942 1.00 0.00 C ATOM 214 OE1 GLN A 13 -3.922 -6.437 8.133 1.00 0.00 O ATOM 215 NE2 GLN A 13 -3.563 -7.959 6.530 1.00 0.00 N ATOM 0 H GLN A 13 -2.641 -2.167 7.057 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.932 -4.861 7.430 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.242 -3.983 7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.887 -3.586 5.477 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.129 -5.678 5.588 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.518 -5.974 4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.508 -8.162 5.532 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.401 -8.701 7.211 1.00 0.00 H new ATOM 224 N GLY A 14 -1.221 -3.569 4.490 1.00 0.00 N ATOM 225 CA GLY A 14 -0.430 -3.777 3.292 1.00 0.00 C ATOM 226 C GLY A 14 1.034 -3.992 3.609 1.00 0.00 C ATOM 227 O GLY A 14 1.662 -4.892 3.062 1.00 0.00 O ATOM 0 H GLY A 14 -1.670 -2.655 4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.814 -4.641 2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.535 -2.915 2.634 1.00 0.00 H new ATOM 231 N ILE A 15 1.569 -3.175 4.513 1.00 0.00 N ATOM 232 CA ILE A 15 2.953 -3.320 4.953 1.00 0.00 C ATOM 233 C ILE A 15 3.171 -4.681 5.605 1.00 0.00 C ATOM 234 O ILE A 15 4.194 -5.334 5.379 1.00 0.00 O ATOM 235 CB ILE A 15 3.350 -2.206 5.945 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.263 -0.842 5.260 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.752 -2.441 6.495 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.651 0.313 6.153 1.00 0.00 C ATOM 0 H ILE A 15 1.065 -2.406 4.955 1.00 0.00 H new ATOM 0 HA ILE A 15 3.584 -3.238 4.068 1.00 0.00 H new ATOM 0 HB ILE A 15 2.654 -2.225 6.784 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.910 -0.844 4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.244 -0.688 4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.008 -1.643 7.191 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.783 -3.399 7.014 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.468 -2.450 5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.565 1.247 5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.989 0.342 7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.680 0.184 6.488 1.00 0.00 H new ATOM 250 N LYS A 16 2.197 -5.109 6.402 1.00 0.00 N ATOM 251 CA LYS A 16 2.237 -6.426 7.027 1.00 0.00 C ATOM 252 C LYS A 16 2.336 -7.502 5.950 1.00 0.00 C ATOM 253 O LYS A 16 3.159 -8.412 6.032 1.00 0.00 O ATOM 254 CB LYS A 16 0.978 -6.646 7.869 1.00 0.00 C ATOM 255 CG LYS A 16 1.077 -7.822 8.830 1.00 0.00 C ATOM 256 CD LYS A 16 -0.231 -8.052 9.578 1.00 0.00 C ATOM 257 CE LYS A 16 -0.631 -6.845 10.414 1.00 0.00 C ATOM 258 NZ LYS A 16 0.389 -6.501 11.440 1.00 0.00 N ATOM 0 H LYS A 16 1.368 -4.561 6.631 1.00 0.00 H new ATOM 0 HA LYS A 16 3.110 -6.486 7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.771 -5.740 8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.130 -6.804 7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.343 -8.723 8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.878 -7.640 9.546 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.023 -8.276 8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.130 -8.923 10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.786 -5.988 9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.583 -7.047 10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.007 -5.775 12.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.631 -7.351 11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.243 -6.136 10.972 1.00 0.00 H new ATOM 272 N ILE A 17 1.496 -7.361 4.933 1.00 0.00 N ATOM 273 CA ILE A 17 1.493 -8.261 3.783 1.00 0.00 C ATOM 274 C ILE A 17 2.825 -8.201 3.035 1.00 0.00 C ATOM 275 O ILE A 17 3.361 -9.230 2.648 1.00 0.00 O ATOM 276 CB ILE A 17 0.332 -7.925 2.815 1.00 0.00 C ATOM 277 CG1 ILE A 17 -1.013 -8.177 3.502 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.441 -8.741 1.530 1.00 0.00 C ATOM 279 CD1 ILE A 17 -2.205 -7.799 2.654 1.00 0.00 C ATOM 0 H ILE A 17 0.797 -6.620 4.880 1.00 0.00 H new ATOM 0 HA ILE A 17 1.350 -9.273 4.162 1.00 0.00 H new ATOM 0 HB ILE A 17 0.398 -6.870 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.085 -9.232 3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.047 -7.613 4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.386 -8.487 0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.386 -8.516 1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.401 -9.804 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.123 -8.005 3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.157 -6.737 2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.196 -8.382 1.733 1.00 0.00 H new ATOM 291 N LEU A 18 3.360 -6.999 2.850 1.00 0.00 N ATOM 292 CA LEU A 18 4.647 -6.833 2.183 1.00 0.00 C ATOM 293 C LEU A 18 5.748 -7.568 2.941 1.00 0.00 C ATOM 294 O LEU A 18 6.598 -8.217 2.336 1.00 0.00 O ATOM 295 CB LEU A 18 4.999 -5.351 2.042 1.00 0.00 C ATOM 296 CG LEU A 18 4.077 -4.552 1.119 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.461 -3.082 1.117 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.124 -5.113 -0.296 1.00 0.00 C ATOM 0 H LEU A 18 2.924 -6.127 3.151 1.00 0.00 H new ATOM 0 HA LEU A 18 4.566 -7.265 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.983 -4.894 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.020 -5.269 1.670 1.00 0.00 H new ATOM 0 HG LEU A 18 3.058 -4.640 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.793 -2.532 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.378 -2.683 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.488 -2.975 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.462 -4.533 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.144 -5.055 -0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.800 -6.154 -0.286 1.00 0.00 H new ATOM 310 N LYS A 19 5.716 -7.474 4.266 1.00 0.00 N ATOM 311 CA LYS A 19 6.639 -8.201 5.112 1.00 0.00 C ATOM 312 C LYS A 19 6.420 -9.704 4.983 1.00 0.00 C ATOM 313 O LYS A 19 7.370 -10.483 4.918 1.00 0.00 O ATOM 314 CB LYS A 19 6.452 -7.756 6.552 1.00 0.00 C ATOM 315 CG LYS A 19 7.136 -6.437 6.863 1.00 0.00 C ATOM 316 CD LYS A 19 8.648 -6.550 6.751 1.00 0.00 C ATOM 317 CE LYS A 19 9.220 -7.477 7.815 1.00 0.00 C ATOM 318 NZ LYS A 19 10.695 -7.617 7.693 1.00 0.00 N ATOM 0 H LYS A 19 5.051 -6.893 4.776 1.00 0.00 H new ATOM 0 HA LYS A 19 7.660 -7.986 4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.386 -7.664 6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.842 -8.526 7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.776 -5.670 6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.868 -6.116 7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.913 -6.923 5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.096 -5.561 6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.972 -7.091 8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.754 -8.459 7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.046 -8.256 8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.930 -8.009 6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.142 -6.684 7.800 1.00 0.00 H new ATOM 332 N GLU A 20 5.153 -10.091 4.929 1.00 0.00 N ATOM 333 CA GLU A 20 4.757 -11.466 4.754 1.00 0.00 C ATOM 334 C GLU A 20 5.278 -12.026 3.428 1.00 0.00 C ATOM 335 O GLU A 20 5.830 -13.125 3.381 1.00 0.00 O ATOM 336 CB GLU A 20 3.234 -11.518 4.813 1.00 0.00 C ATOM 337 CG GLU A 20 2.673 -11.625 6.222 1.00 0.00 C ATOM 338 CD GLU A 20 2.916 -12.978 6.856 1.00 0.00 C ATOM 339 OE1 GLU A 20 4.029 -13.211 7.371 1.00 0.00 O ATOM 340 OE2 GLU A 20 1.981 -13.811 6.858 1.00 0.00 O ATOM 0 H GLU A 20 4.368 -9.445 5.007 1.00 0.00 H new ATOM 0 HA GLU A 20 5.185 -12.085 5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.832 -10.622 4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.887 -12.370 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.123 -10.852 6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.601 -11.430 6.196 1.00 0.00 H new ATOM 347 N VAL A 21 5.112 -11.255 2.362 1.00 0.00 N ATOM 348 CA VAL A 21 5.577 -11.651 1.036 1.00 0.00 C ATOM 349 C VAL A 21 7.098 -11.692 0.982 1.00 0.00 C ATOM 350 O VAL A 21 7.680 -12.632 0.450 1.00 0.00 O ATOM 351 CB VAL A 21 5.059 -10.684 -0.051 1.00 0.00 C ATOM 352 CG1 VAL A 21 5.576 -11.084 -1.424 1.00 0.00 C ATOM 353 CG2 VAL A 21 3.539 -10.637 -0.050 1.00 0.00 C ATOM 0 H VAL A 21 4.655 -10.344 2.389 1.00 0.00 H new ATOM 0 HA VAL A 21 5.182 -12.648 0.842 1.00 0.00 H new ATOM 0 HB VAL A 21 5.435 -9.687 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.197 -10.388 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.666 -11.059 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.236 -12.092 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.196 -9.950 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.144 -11.633 -0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.186 -10.294 0.923 1.00 0.00 H new ATOM 363 N LEU A 22 7.736 -10.672 1.543 1.00 0.00 N ATOM 364 CA LEU A 22 9.192 -10.591 1.554 1.00 0.00 C ATOM 365 C LEU A 22 9.784 -11.786 2.303 1.00 0.00 C ATOM 366 O LEU A 22 10.832 -12.314 1.931 1.00 0.00 O ATOM 367 CB LEU A 22 9.638 -9.276 2.199 1.00 0.00 C ATOM 368 CG LEU A 22 11.109 -8.913 2.005 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.430 -8.768 0.526 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.433 -7.629 2.746 1.00 0.00 C ATOM 0 H LEU A 22 7.267 -9.888 1.997 1.00 0.00 H new ATOM 0 HA LEU A 22 9.556 -10.616 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.027 -8.469 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.433 -9.328 3.268 1.00 0.00 H new ATOM 0 HG LEU A 22 11.723 -9.716 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.482 -8.509 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.227 -9.710 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.811 -7.981 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.484 -7.380 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.812 -6.820 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.236 -7.763 3.810 1.00 0.00 H new ATOM 382 N LYS A 23 9.095 -12.201 3.360 1.00 0.00 N ATOM 383 CA LYS A 23 9.466 -13.390 4.120 1.00 0.00 C ATOM 384 C LYS A 23 9.366 -14.628 3.241 1.00 0.00 C ATOM 385 O LYS A 23 10.296 -15.434 3.144 1.00 0.00 O ATOM 386 CB LYS A 23 8.497 -13.547 5.287 1.00 0.00 C ATOM 387 CG LYS A 23 8.872 -14.636 6.277 1.00 0.00 C ATOM 388 CD LYS A 23 7.711 -14.952 7.209 1.00 0.00 C ATOM 389 CE LYS A 23 7.347 -13.762 8.086 1.00 0.00 C ATOM 390 NZ LYS A 23 6.074 -13.986 8.820 1.00 0.00 N ATOM 0 H LYS A 23 8.266 -11.724 3.714 1.00 0.00 H new ATOM 0 HA LYS A 23 10.490 -13.281 4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.432 -12.598 5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.504 -13.760 4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.165 -15.537 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.736 -14.319 6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.843 -15.248 6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.973 -15.801 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.150 -13.577 8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.258 -12.869 7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.063 -13.404 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.272 -13.721 8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.995 -14.990 9.079 1.00 0.00 H new ATOM 404 N LYS A 24 8.214 -14.748 2.609 1.00 0.00 N ATOM 405 CA LYS A 24 7.891 -15.883 1.750 1.00 0.00 C ATOM 406 C LYS A 24 8.754 -15.917 0.488 1.00 0.00 C ATOM 407 O LYS A 24 8.941 -16.973 -0.117 1.00 0.00 O ATOM 408 CB LYS A 24 6.406 -15.833 1.390 1.00 0.00 C ATOM 409 CG LYS A 24 5.497 -16.247 2.536 1.00 0.00 C ATOM 410 CD LYS A 24 4.031 -16.065 2.184 1.00 0.00 C ATOM 411 CE LYS A 24 3.123 -16.597 3.279 1.00 0.00 C ATOM 412 NZ LYS A 24 3.266 -18.066 3.448 1.00 0.00 N ATOM 0 H LYS A 24 7.466 -14.057 2.675 1.00 0.00 H new ATOM 0 HA LYS A 24 8.107 -16.799 2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.148 -14.821 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.224 -16.486 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.683 -17.291 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.735 -15.656 3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.824 -15.007 2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.814 -16.580 1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.357 -16.098 4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.087 -16.358 3.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.387 -18.457 3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.457 -18.505 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.055 -18.266 4.096 1.00 0.00 H new ATOM 426 N ALA A 25 9.278 -14.764 0.095 1.00 0.00 N ATOM 427 CA ALA A 25 10.165 -14.676 -1.060 1.00 0.00 C ATOM 428 C ALA A 25 11.431 -15.500 -0.842 1.00 0.00 C ATOM 429 O ALA A 25 11.996 -16.055 -1.784 1.00 0.00 O ATOM 430 CB ALA A 25 10.520 -13.225 -1.350 1.00 0.00 C ATOM 0 H ALA A 25 9.104 -13.873 0.560 1.00 0.00 H new ATOM 0 HA ALA A 25 9.638 -15.085 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.182 -13.178 -2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.610 -12.663 -1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.022 -12.793 -0.484 1.00 0.00 H new ATOM 436 N LYS A 26 11.854 -15.591 0.413 1.00 0.00 N ATOM 437 CA LYS A 26 13.040 -16.355 0.775 1.00 0.00 C ATOM 438 C LYS A 26 12.774 -17.851 0.618 1.00 0.00 C ATOM 439 O LYS A 26 13.688 -18.632 0.346 1.00 0.00 O ATOM 440 CB LYS A 26 13.460 -16.020 2.210 1.00 0.00 C ATOM 441 CG LYS A 26 14.795 -16.618 2.624 1.00 0.00 C ATOM 442 CD LYS A 26 15.239 -16.082 3.977 1.00 0.00 C ATOM 443 CE LYS A 26 16.582 -16.653 4.401 1.00 0.00 C ATOM 444 NZ LYS A 26 16.515 -18.115 4.669 1.00 0.00 N ATOM 0 H LYS A 26 11.389 -15.141 1.202 1.00 0.00 H new ATOM 0 HA LYS A 26 13.857 -16.085 0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.511 -14.937 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.689 -16.373 2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.712 -17.704 2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.550 -16.387 1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.305 -14.995 3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.488 -16.326 4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.318 -16.462 3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.927 -16.137 5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.414 -18.434 5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.739 -18.311 5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.345 -18.624 3.778 1.00 0.00 H new ATOM 458 N GLU A 27 11.515 -18.241 0.789 1.00 0.00 N ATOM 459 CA GLU A 27 11.106 -19.635 0.639 1.00 0.00 C ATOM 460 C GLU A 27 11.262 -20.094 -0.810 1.00 0.00 C ATOM 461 O GLU A 27 11.559 -21.260 -1.076 1.00 0.00 O ATOM 462 CB GLU A 27 9.659 -19.804 1.092 1.00 0.00 C ATOM 463 CG GLU A 27 9.451 -19.529 2.572 1.00 0.00 C ATOM 464 CD GLU A 27 7.994 -19.565 2.977 1.00 0.00 C ATOM 465 OE1 GLU A 27 7.273 -20.499 2.563 1.00 0.00 O ATOM 466 OE2 GLU A 27 7.566 -18.678 3.739 1.00 0.00 O ATOM 0 H GLU A 27 10.755 -17.607 1.033 1.00 0.00 H new ATOM 0 HA GLU A 27 11.751 -20.253 1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.025 -19.133 0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.334 -20.820 0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.003 -20.266 3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.867 -18.552 2.817 1.00 0.00 H new ATOM 473 N GLY A 28 11.056 -19.172 -1.740 1.00 0.00 N ATOM 474 CA GLY A 28 11.311 -19.450 -3.141 1.00 0.00 C ATOM 475 C GLY A 28 10.277 -20.362 -3.779 1.00 0.00 C ATOM 476 O GLY A 28 10.630 -21.370 -4.396 1.00 0.00 O ATOM 0 H GLY A 28 10.715 -18.230 -1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.341 -18.509 -3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.296 -19.907 -3.239 1.00 0.00 H new ATOM 480 N ASP A 29 9.005 -20.020 -3.633 1.00 0.00 N ATOM 481 CA ASP A 29 7.938 -20.759 -4.302 1.00 0.00 C ATOM 482 C ASP A 29 7.189 -19.835 -5.247 1.00 0.00 C ATOM 483 O ASP A 29 6.603 -18.841 -4.820 1.00 0.00 O ATOM 484 CB ASP A 29 6.975 -21.375 -3.291 1.00 0.00 C ATOM 485 CG ASP A 29 5.912 -22.217 -3.963 1.00 0.00 C ATOM 486 OD1 ASP A 29 6.246 -23.309 -4.463 1.00 0.00 O ATOM 487 OD2 ASP A 29 4.743 -21.787 -4.011 1.00 0.00 O ATOM 0 H ASP A 29 8.685 -19.239 -3.060 1.00 0.00 H new ATOM 0 HA ASP A 29 8.388 -21.572 -4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.534 -21.991 -2.586 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.499 -20.582 -2.714 1.00 0.00 H new ATOM 492 N GLU A 30 7.222 -20.159 -6.533 1.00 0.00 N ATOM 493 CA GLU A 30 6.679 -19.273 -7.562 1.00 0.00 C ATOM 494 C GLU A 30 5.157 -19.162 -7.479 1.00 0.00 C ATOM 495 O GLU A 30 4.596 -18.113 -7.794 1.00 0.00 O ATOM 496 CB GLU A 30 7.119 -19.721 -8.961 1.00 0.00 C ATOM 497 CG GLU A 30 6.607 -21.091 -9.381 1.00 0.00 C ATOM 498 CD GLU A 30 7.155 -21.529 -10.725 1.00 0.00 C ATOM 499 OE1 GLU A 30 7.070 -20.746 -11.693 1.00 0.00 O ATOM 500 OE2 GLU A 30 7.685 -22.658 -10.814 1.00 0.00 O ATOM 0 H GLU A 30 7.618 -21.028 -6.891 1.00 0.00 H new ATOM 0 HA GLU A 30 7.086 -18.279 -7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.779 -18.983 -9.687 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.208 -19.728 -8.999 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.881 -21.825 -8.624 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.518 -21.070 -9.426 1.00 0.00 H new ATOM 507 N GLN A 31 4.489 -20.226 -7.046 1.00 0.00 N ATOM 508 CA GLN A 31 3.042 -20.173 -6.863 1.00 0.00 C ATOM 509 C GLN A 31 2.698 -19.300 -5.668 1.00 0.00 C ATOM 510 O GLN A 31 1.728 -18.544 -5.704 1.00 0.00 O ATOM 511 CB GLN A 31 2.441 -21.567 -6.687 1.00 0.00 C ATOM 512 CG GLN A 31 2.472 -22.410 -7.949 1.00 0.00 C ATOM 513 CD GLN A 31 1.573 -23.627 -7.850 1.00 0.00 C ATOM 514 OE1 GLN A 31 1.996 -24.692 -7.404 1.00 0.00 O ATOM 515 NE2 GLN A 31 0.322 -23.476 -8.260 1.00 0.00 N ATOM 0 H GLN A 31 4.918 -21.123 -6.818 1.00 0.00 H new ATOM 0 HA GLN A 31 2.610 -19.739 -7.765 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.983 -22.089 -5.899 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.408 -21.468 -6.352 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.163 -21.801 -8.798 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.495 -22.732 -8.143 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.010 -22.576 -8.624 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.329 -24.260 -8.212 1.00 0.00 H new ATOM 524 N GLU A 32 3.509 -19.404 -4.621 1.00 0.00 N ATOM 525 CA GLU A 32 3.354 -18.560 -3.446 1.00 0.00 C ATOM 526 C GLU A 32 3.499 -17.095 -3.844 1.00 0.00 C ATOM 527 O GLU A 32 2.647 -16.273 -3.528 1.00 0.00 O ATOM 528 CB GLU A 32 4.406 -18.918 -2.388 1.00 0.00 C ATOM 529 CG GLU A 32 4.139 -18.307 -1.021 1.00 0.00 C ATOM 530 CD GLU A 32 3.083 -19.066 -0.241 1.00 0.00 C ATOM 531 OE1 GLU A 32 2.101 -19.535 -0.852 1.00 0.00 O ATOM 532 OE2 GLU A 32 3.240 -19.211 0.990 1.00 0.00 O ATOM 0 H GLU A 32 4.282 -20.067 -4.564 1.00 0.00 H new ATOM 0 HA GLU A 32 2.363 -18.724 -3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.451 -20.002 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.385 -18.589 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.066 -18.288 -0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.820 -17.272 -1.145 1.00 0.00 H new ATOM 539 N LEU A 33 4.570 -16.794 -4.578 1.00 0.00 N ATOM 540 CA LEU A 33 4.855 -15.430 -5.020 1.00 0.00 C ATOM 541 C LEU A 33 3.723 -14.887 -5.886 1.00 0.00 C ATOM 542 O LEU A 33 3.301 -13.741 -5.724 1.00 0.00 O ATOM 543 CB LEU A 33 6.173 -15.380 -5.799 1.00 0.00 C ATOM 544 CG LEU A 33 7.404 -15.859 -5.028 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.644 -15.775 -5.903 1.00 0.00 C ATOM 546 CD2 LEU A 33 7.589 -15.045 -3.755 1.00 0.00 C ATOM 0 H LEU A 33 5.259 -17.483 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 33 4.943 -14.805 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.068 -15.987 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.345 -14.354 -6.125 1.00 0.00 H new ATOM 0 HG LEU A 33 7.251 -16.901 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.511 -16.119 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.511 -16.403 -6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.800 -14.742 -6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.470 -15.401 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.720 -13.994 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.710 -15.157 -3.121 1.00 0.00 H new ATOM 558 N ALA A 34 3.235 -15.714 -6.802 1.00 0.00 N ATOM 559 CA ALA A 34 2.139 -15.321 -7.677 1.00 0.00 C ATOM 560 C ALA A 34 0.885 -15.017 -6.868 1.00 0.00 C ATOM 561 O ALA A 34 0.214 -14.009 -7.097 1.00 0.00 O ATOM 562 CB ALA A 34 1.856 -16.411 -8.696 1.00 0.00 C ATOM 0 H ALA A 34 3.581 -16.661 -6.958 1.00 0.00 H new ATOM 0 HA ALA A 34 2.435 -14.415 -8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.034 -16.101 -9.342 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.747 -16.585 -9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.584 -17.331 -8.179 1.00 0.00 H new ATOM 568 N ARG A 35 0.588 -15.889 -5.913 1.00 0.00 N ATOM 569 CA ARG A 35 -0.567 -15.730 -5.040 1.00 0.00 C ATOM 570 C ARG A 35 -0.412 -14.477 -4.179 1.00 0.00 C ATOM 571 O ARG A 35 -1.361 -13.715 -3.987 1.00 0.00 O ATOM 572 CB ARG A 35 -0.701 -16.965 -4.148 1.00 0.00 C ATOM 573 CG ARG A 35 -2.072 -17.616 -4.191 1.00 0.00 C ATOM 574 CD ARG A 35 -2.106 -18.883 -3.354 1.00 0.00 C ATOM 575 NE ARG A 35 -3.355 -19.618 -3.524 1.00 0.00 N ATOM 576 CZ ARG A 35 -3.644 -20.755 -2.894 1.00 0.00 C ATOM 577 NH1 ARG A 35 -2.762 -21.308 -2.074 1.00 0.00 N ATOM 578 NH2 ARG A 35 -4.806 -21.360 -3.105 1.00 0.00 N ATOM 0 H ARG A 35 1.140 -16.725 -5.722 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.465 -15.622 -5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.047 -17.699 -4.447 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.477 -16.683 -3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.822 -16.915 -3.825 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.333 -17.852 -5.223 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.268 -19.523 -3.631 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.977 -18.626 -2.303 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.050 -19.237 -4.166 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.857 -20.863 -1.923 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.988 -22.179 -1.594 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.482 -20.954 -3.752 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.023 -22.231 -2.620 1.00 0.00 H new ATOM 592 N LEU A 36 0.797 -14.276 -3.676 1.00 0.00 N ATOM 593 CA LEU A 36 1.115 -13.125 -2.844 1.00 0.00 C ATOM 594 C LEU A 36 0.950 -11.819 -3.606 1.00 0.00 C ATOM 595 O LEU A 36 0.385 -10.862 -3.083 1.00 0.00 O ATOM 596 CB LEU A 36 2.544 -13.234 -2.322 1.00 0.00 C ATOM 597 CG LEU A 36 2.787 -14.360 -1.318 1.00 0.00 C ATOM 598 CD1 LEU A 36 4.268 -14.482 -1.008 1.00 0.00 C ATOM 599 CD2 LEU A 36 1.989 -14.119 -0.047 1.00 0.00 C ATOM 0 H LEU A 36 1.584 -14.905 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 36 0.416 -13.121 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.214 -13.375 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.816 -12.288 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 36 2.451 -15.298 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.425 -15.288 -0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.815 -14.700 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.629 -13.545 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.173 -14.930 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.294 -13.173 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.926 -14.081 -0.286 1.00 0.00 H new ATOM 611 N ASN A 37 1.441 -11.783 -4.841 1.00 0.00 N ATOM 612 CA ASN A 37 1.371 -10.568 -5.649 1.00 0.00 C ATOM 613 C ASN A 37 -0.079 -10.152 -5.859 1.00 0.00 C ATOM 614 O ASN A 37 -0.410 -8.969 -5.816 1.00 0.00 O ATOM 615 CB ASN A 37 2.051 -10.763 -7.007 1.00 0.00 C ATOM 616 CG ASN A 37 2.332 -9.435 -7.690 1.00 0.00 C ATOM 617 OD1 ASN A 37 2.641 -8.448 -7.030 1.00 0.00 O ATOM 618 ND2 ASN A 37 2.218 -9.389 -9.009 1.00 0.00 N ATOM 0 H ASN A 37 1.889 -12.575 -5.303 1.00 0.00 H new ATOM 0 HA ASN A 37 1.898 -9.782 -5.108 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.985 -11.307 -6.871 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.416 -11.375 -7.648 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.389 -8.515 -9.505 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.959 -10.228 -9.528 1.00 0.00 H new ATOM 625 N GLN A 38 -0.943 -11.138 -6.066 1.00 0.00 N ATOM 626 CA GLN A 38 -2.353 -10.901 -6.237 1.00 0.00 C ATOM 627 C GLN A 38 -2.960 -10.314 -4.967 1.00 0.00 C ATOM 628 O GLN A 38 -3.776 -9.399 -5.030 1.00 0.00 O ATOM 629 CB GLN A 38 -3.032 -12.213 -6.600 1.00 0.00 C ATOM 630 CG GLN A 38 -2.625 -12.760 -7.961 1.00 0.00 C ATOM 631 CD GLN A 38 -2.926 -11.800 -9.095 1.00 0.00 C ATOM 632 OE1 GLN A 38 -4.012 -11.824 -9.671 1.00 0.00 O ATOM 633 NE2 GLN A 38 -1.964 -10.958 -9.434 1.00 0.00 N ATOM 0 H GLN A 38 -0.676 -12.121 -6.118 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.505 -10.179 -7.039 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.799 -12.955 -5.836 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.112 -12.068 -6.585 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.558 -12.983 -7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.146 -13.701 -8.140 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.076 -10.969 -8.932 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.110 -10.298 -10.198 1.00 0.00 H new ATOM 642 N GLU A 39 -2.535 -10.837 -3.818 1.00 0.00 N ATOM 643 CA GLU A 39 -2.981 -10.327 -2.526 1.00 0.00 C ATOM 644 C GLU A 39 -2.530 -8.878 -2.350 1.00 0.00 C ATOM 645 O GLU A 39 -3.281 -8.041 -1.854 1.00 0.00 O ATOM 646 CB GLU A 39 -2.421 -11.198 -1.395 1.00 0.00 C ATOM 647 CG GLU A 39 -2.935 -10.827 -0.012 1.00 0.00 C ATOM 648 CD GLU A 39 -4.408 -11.140 0.168 1.00 0.00 C ATOM 649 OE1 GLU A 39 -5.251 -10.282 -0.157 1.00 0.00 O ATOM 650 OE2 GLU A 39 -4.730 -12.255 0.636 1.00 0.00 O ATOM 0 H GLU A 39 -1.880 -11.617 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.070 -10.362 -2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.670 -12.240 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.334 -11.124 -1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.359 -11.364 0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.770 -9.763 0.159 1.00 0.00 H new ATOM 657 N ILE A 40 -1.298 -8.593 -2.775 1.00 0.00 N ATOM 658 CA ILE A 40 -0.753 -7.240 -2.716 1.00 0.00 C ATOM 659 C ILE A 40 -1.600 -6.282 -3.551 1.00 0.00 C ATOM 660 O ILE A 40 -2.014 -5.230 -3.069 1.00 0.00 O ATOM 661 CB ILE A 40 0.711 -7.190 -3.215 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.601 -8.085 -2.347 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.231 -5.755 -3.211 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.031 -8.170 -2.832 1.00 0.00 C ATOM 0 H ILE A 40 -0.658 -9.285 -3.165 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.774 -6.933 -1.670 1.00 0.00 H new ATOM 0 HB ILE A 40 0.739 -7.562 -4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.595 -7.707 -1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.176 -9.088 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.262 -5.741 -3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.613 -5.142 -3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.190 -5.356 -2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.602 -8.820 -2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.049 -8.577 -3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.474 -7.174 -2.834 1.00 0.00 H new ATOM 676 N VAL A 41 -1.866 -6.662 -4.799 1.00 0.00 N ATOM 677 CA VAL A 41 -2.682 -5.846 -5.693 1.00 0.00 C ATOM 678 C VAL A 41 -4.088 -5.664 -5.125 1.00 0.00 C ATOM 679 O VAL A 41 -4.635 -4.560 -5.131 1.00 0.00 O ATOM 680 CB VAL A 41 -2.777 -6.473 -7.106 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.681 -5.648 -8.010 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.396 -6.618 -7.726 1.00 0.00 C ATOM 0 H VAL A 41 -1.528 -7.530 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.195 -4.874 -5.776 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.215 -7.466 -7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.730 -6.111 -8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.682 -5.603 -7.580 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.280 -4.639 -8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.487 -7.060 -8.718 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.929 -5.636 -7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.781 -7.261 -7.097 1.00 0.00 H new ATOM 692 N LYS A 42 -4.656 -6.756 -4.622 1.00 0.00 N ATOM 693 CA LYS A 42 -5.993 -6.738 -4.043 1.00 0.00 C ATOM 694 C LYS A 42 -6.044 -5.791 -2.846 1.00 0.00 C ATOM 695 O LYS A 42 -6.955 -4.974 -2.728 1.00 0.00 O ATOM 696 CB LYS A 42 -6.393 -8.168 -3.635 1.00 0.00 C ATOM 697 CG LYS A 42 -7.807 -8.320 -3.086 1.00 0.00 C ATOM 698 CD LYS A 42 -7.878 -7.998 -1.602 1.00 0.00 C ATOM 699 CE LYS A 42 -9.226 -8.368 -1.014 1.00 0.00 C ATOM 700 NZ LYS A 42 -9.291 -8.068 0.438 1.00 0.00 N ATOM 0 H LYS A 42 -4.206 -7.671 -4.605 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.704 -6.373 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.287 -8.818 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.689 -8.523 -2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.481 -7.661 -3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.153 -9.340 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.090 -8.536 -1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.694 -6.934 -1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.013 -7.822 -1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.415 -9.429 -1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.034 -8.646 0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.375 -8.287 0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.509 -7.060 0.575 1.00 0.00 H new ATOM 714 N ALA A 43 -5.049 -5.890 -1.973 1.00 0.00 N ATOM 715 CA ALA A 43 -4.995 -5.063 -0.776 1.00 0.00 C ATOM 716 C ALA A 43 -4.749 -3.596 -1.118 1.00 0.00 C ATOM 717 O ALA A 43 -5.423 -2.709 -0.591 1.00 0.00 O ATOM 718 CB ALA A 43 -3.921 -5.570 0.173 1.00 0.00 C ATOM 0 H ALA A 43 -4.267 -6.537 -2.073 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.965 -5.133 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.894 -4.940 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.146 -6.597 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.951 -5.537 -0.324 1.00 0.00 H new ATOM 724 N GLU A 44 -3.792 -3.352 -2.004 1.00 0.00 N ATOM 725 CA GLU A 44 -3.436 -1.995 -2.399 1.00 0.00 C ATOM 726 C GLU A 44 -4.617 -1.303 -3.081 1.00 0.00 C ATOM 727 O GLU A 44 -4.960 -0.169 -2.747 1.00 0.00 O ATOM 728 CB GLU A 44 -2.235 -2.016 -3.344 1.00 0.00 C ATOM 729 CG GLU A 44 -1.735 -0.635 -3.721 1.00 0.00 C ATOM 730 CD GLU A 44 -0.660 -0.118 -2.789 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.892 0.028 -1.590 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.443 0.182 -3.253 1.00 0.00 O ATOM 0 H GLU A 44 -3.246 -4.080 -2.465 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.175 -1.437 -1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.423 -2.571 -2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.507 -2.555 -4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.344 -0.662 -4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.574 0.061 -3.720 1.00 0.00 H new ATOM 739 N LYS A 45 -5.244 -1.999 -4.027 1.00 0.00 N ATOM 740 CA LYS A 45 -6.391 -1.452 -4.742 1.00 0.00 C ATOM 741 C LYS A 45 -7.544 -1.209 -3.777 1.00 0.00 C ATOM 742 O LYS A 45 -8.276 -0.225 -3.903 1.00 0.00 O ATOM 743 CB LYS A 45 -6.829 -2.393 -5.867 1.00 0.00 C ATOM 744 CG LYS A 45 -8.006 -1.864 -6.671 1.00 0.00 C ATOM 745 CD LYS A 45 -8.346 -2.770 -7.844 1.00 0.00 C ATOM 746 CE LYS A 45 -9.534 -2.236 -8.631 1.00 0.00 C ATOM 747 NZ LYS A 45 -9.289 -0.863 -9.150 1.00 0.00 N ATOM 0 H LYS A 45 -4.977 -2.940 -4.314 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.097 -0.501 -5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.987 -2.562 -6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.095 -3.360 -5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.876 -1.770 -6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.774 -0.865 -7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.481 -2.857 -8.502 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.570 -3.772 -7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.747 -2.906 -9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.418 -2.230 -7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.006 -0.630 -9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.347 -0.181 -8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.343 -0.818 -9.579 1.00 0.00 H new ATOM 761 N GLN A 46 -7.693 -2.112 -2.816 1.00 0.00 N ATOM 762 CA GLN A 46 -8.690 -1.969 -1.762 1.00 0.00 C ATOM 763 C GLN A 46 -8.433 -0.689 -0.973 1.00 0.00 C ATOM 764 O GLN A 46 -9.360 0.050 -0.631 1.00 0.00 O ATOM 765 CB GLN A 46 -8.631 -3.180 -0.837 1.00 0.00 C ATOM 766 CG GLN A 46 -9.724 -3.219 0.215 1.00 0.00 C ATOM 767 CD GLN A 46 -9.629 -4.460 1.078 1.00 0.00 C ATOM 768 OE1 GLN A 46 -10.227 -5.491 0.776 1.00 0.00 O ATOM 769 NE2 GLN A 46 -8.868 -4.374 2.156 1.00 0.00 N ATOM 0 H GLN A 46 -7.130 -2.959 -2.745 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.683 -1.910 -2.208 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.692 -4.086 -1.440 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.662 -3.194 -0.338 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.654 -2.332 0.845 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.699 -3.188 -0.272 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.388 -3.501 2.373 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.761 -5.181 2.771 1.00 0.00 H new ATOM 778 N GLY A 47 -7.161 -0.440 -0.690 1.00 0.00 N ATOM 779 CA GLY A 47 -6.768 0.792 -0.038 1.00 0.00 C ATOM 780 C GLY A 47 -7.118 2.004 -0.878 1.00 0.00 C ATOM 781 O GLY A 47 -7.697 2.964 -0.375 1.00 0.00 O ATOM 0 H GLY A 47 -6.391 -1.074 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.262 0.865 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.695 0.778 0.152 1.00 0.00 H new ATOM 785 N VAL A 48 -6.804 1.940 -2.170 1.00 0.00 N ATOM 786 CA VAL A 48 -7.126 3.017 -3.108 1.00 0.00 C ATOM 787 C VAL A 48 -8.635 3.275 -3.144 1.00 0.00 C ATOM 788 O VAL A 48 -9.081 4.418 -3.262 1.00 0.00 O ATOM 789 CB VAL A 48 -6.626 2.690 -4.536 1.00 0.00 C ATOM 790 CG1 VAL A 48 -6.982 3.800 -5.517 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.123 2.455 -4.533 1.00 0.00 C ATOM 0 H VAL A 48 -6.323 1.147 -2.595 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.616 3.914 -2.756 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.127 1.778 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.617 3.539 -6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.064 3.923 -5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.520 4.733 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.788 2.226 -5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.615 3.351 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.887 1.619 -3.875 1.00 0.00 H new ATOM 801 N LYS A 49 -9.412 2.202 -3.040 1.00 0.00 N ATOM 802 CA LYS A 49 -10.867 2.295 -2.975 1.00 0.00 C ATOM 803 C LYS A 49 -11.294 3.197 -1.815 1.00 0.00 C ATOM 804 O LYS A 49 -12.119 4.099 -1.981 1.00 0.00 O ATOM 805 CB LYS A 49 -11.456 0.891 -2.808 1.00 0.00 C ATOM 806 CG LYS A 49 -12.970 0.842 -2.671 1.00 0.00 C ATOM 807 CD LYS A 49 -13.470 -0.597 -2.590 1.00 0.00 C ATOM 808 CE LYS A 49 -14.948 -0.676 -2.228 1.00 0.00 C ATOM 809 NZ LYS A 49 -15.807 0.047 -3.201 1.00 0.00 N ATOM 0 H LYS A 49 -9.054 1.248 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.242 2.734 -3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.164 0.286 -3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.011 0.429 -1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.275 1.387 -1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.431 1.343 -3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.306 -1.091 -3.548 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.887 -1.141 -1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.253 -1.721 -2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.099 -0.258 -1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.808 -0.133 -2.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.617 1.068 -3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.598 -0.287 -4.164 1.00 0.00 H new ATOM 823 N VAL A 50 -10.705 2.956 -0.654 1.00 0.00 N ATOM 824 CA VAL A 50 -10.976 3.757 0.538 1.00 0.00 C ATOM 825 C VAL A 50 -10.363 5.153 0.414 1.00 0.00 C ATOM 826 O VAL A 50 -10.986 6.143 0.794 1.00 0.00 O ATOM 827 CB VAL A 50 -10.434 3.071 1.809 1.00 0.00 C ATOM 828 CG1 VAL A 50 -10.767 3.881 3.054 1.00 0.00 C ATOM 829 CG2 VAL A 50 -10.979 1.656 1.930 1.00 0.00 C ATOM 0 H VAL A 50 -10.030 2.206 -0.508 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.059 3.850 0.622 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.349 3.017 1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.373 3.374 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.318 4.871 2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.849 3.979 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.584 1.190 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.067 1.689 1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.676 1.074 1.060 1.00 0.00 H new ATOM 839 N TYR A 51 -9.147 5.228 -0.118 1.00 0.00 N ATOM 840 CA TYR A 51 -8.462 6.508 -0.301 1.00 0.00 C ATOM 841 C TYR A 51 -9.277 7.454 -1.179 1.00 0.00 C ATOM 842 O TYR A 51 -9.361 8.649 -0.899 1.00 0.00 O ATOM 843 CB TYR A 51 -7.073 6.302 -0.914 1.00 0.00 C ATOM 844 CG TYR A 51 -5.973 6.094 0.105 1.00 0.00 C ATOM 845 CD1 TYR A 51 -5.399 7.179 0.756 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.507 4.824 0.417 1.00 0.00 C ATOM 847 CE1 TYR A 51 -4.392 7.002 1.687 1.00 0.00 C ATOM 848 CE2 TYR A 51 -4.502 4.639 1.347 1.00 0.00 C ATOM 849 CZ TYR A 51 -3.949 5.730 1.980 1.00 0.00 C ATOM 850 OH TYR A 51 -2.948 5.550 2.907 1.00 0.00 O ATOM 0 H TYR A 51 -8.613 4.417 -0.431 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.351 6.960 0.685 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.105 5.439 -1.579 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.826 7.168 -1.528 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.745 8.177 0.531 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.938 3.965 -0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.955 7.856 2.182 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.152 3.643 1.576 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.754 4.594 2.997 1.00 0.00 H new ATOM 860 N LYS A 52 -9.880 6.917 -2.231 1.00 0.00 N ATOM 861 CA LYS A 52 -10.718 7.711 -3.121 1.00 0.00 C ATOM 862 C LYS A 52 -11.922 8.254 -2.359 1.00 0.00 C ATOM 863 O LYS A 52 -12.316 9.409 -2.531 1.00 0.00 O ATOM 864 CB LYS A 52 -11.175 6.862 -4.310 1.00 0.00 C ATOM 865 CG LYS A 52 -11.817 7.667 -5.431 1.00 0.00 C ATOM 866 CD LYS A 52 -12.123 6.798 -6.642 1.00 0.00 C ATOM 867 CE LYS A 52 -10.846 6.286 -7.296 1.00 0.00 C ATOM 868 NZ LYS A 52 -11.124 5.338 -8.410 1.00 0.00 N ATOM 0 H LYS A 52 -9.805 5.933 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.137 8.552 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.317 6.322 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.887 6.115 -3.958 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.738 8.125 -5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.151 8.479 -5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.742 5.954 -6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.700 7.372 -7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.271 7.130 -7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.229 5.791 -6.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.226 5.016 -8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.650 4.518 -8.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.690 5.816 -9.140 1.00 0.00 H new ATOM 882 N GLU A 53 -12.488 7.410 -1.506 1.00 0.00 N ATOM 883 CA GLU A 53 -13.601 7.798 -0.657 1.00 0.00 C ATOM 884 C GLU A 53 -13.169 8.848 0.363 1.00 0.00 C ATOM 885 O GLU A 53 -13.891 9.814 0.624 1.00 0.00 O ATOM 886 CB GLU A 53 -14.165 6.567 0.055 1.00 0.00 C ATOM 887 CG GLU A 53 -15.052 5.709 -0.825 1.00 0.00 C ATOM 888 CD GLU A 53 -15.919 4.769 -0.019 1.00 0.00 C ATOM 889 OE1 GLU A 53 -16.968 5.215 0.488 1.00 0.00 O ATOM 890 OE2 GLU A 53 -15.559 3.578 0.114 1.00 0.00 O ATOM 0 H GLU A 53 -12.189 6.442 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.378 8.236 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.338 5.960 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.736 6.891 0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.686 6.352 -1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.431 5.131 -1.510 1.00 0.00 H new ATOM 897 N ALA A 54 -11.982 8.658 0.924 1.00 0.00 N ATOM 898 CA ALA A 54 -11.443 9.574 1.918 1.00 0.00 C ATOM 899 C ALA A 54 -11.182 10.947 1.316 1.00 0.00 C ATOM 900 O ALA A 54 -11.365 11.962 1.979 1.00 0.00 O ATOM 901 CB ALA A 54 -10.168 9.007 2.522 1.00 0.00 C ATOM 0 H ALA A 54 -11.371 7.871 0.705 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.185 9.690 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.776 9.703 3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.385 8.052 3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.427 8.859 1.736 1.00 0.00 H new ATOM 907 N ALA A 55 -10.777 10.969 0.051 1.00 0.00 N ATOM 908 CA ALA A 55 -10.503 12.221 -0.647 1.00 0.00 C ATOM 909 C ALA A 55 -11.751 13.099 -0.718 1.00 0.00 C ATOM 910 O ALA A 55 -11.673 14.318 -0.557 1.00 0.00 O ATOM 911 CB ALA A 55 -9.977 11.942 -2.042 1.00 0.00 C ATOM 0 H ALA A 55 -10.631 10.132 -0.514 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.742 12.761 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.777 12.885 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.056 11.364 -1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.720 11.377 -2.605 1.00 0.00 H new ATOM 917 N GLU A 56 -12.901 12.474 -0.952 1.00 0.00 N ATOM 918 CA GLU A 56 -14.162 13.205 -1.033 1.00 0.00 C ATOM 919 C GLU A 56 -14.667 13.566 0.358 1.00 0.00 C ATOM 920 O GLU A 56 -15.317 14.594 0.550 1.00 0.00 O ATOM 921 CB GLU A 56 -15.230 12.383 -1.758 1.00 0.00 C ATOM 922 CG GLU A 56 -14.865 12.012 -3.184 1.00 0.00 C ATOM 923 CD GLU A 56 -16.030 11.389 -3.923 1.00 0.00 C ATOM 924 OE1 GLU A 56 -16.309 10.187 -3.712 1.00 0.00 O ATOM 925 OE2 GLU A 56 -16.678 12.095 -4.721 1.00 0.00 O ATOM 0 H GLU A 56 -12.986 11.467 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.973 14.118 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.416 11.470 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.163 12.947 -1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.532 12.903 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.027 11.315 -3.174 1.00 0.00 H new ATOM 932 N LYS A 57 -14.353 12.717 1.323 1.00 0.00 N ATOM 933 CA LYS A 57 -14.821 12.895 2.687 1.00 0.00 C ATOM 934 C LYS A 57 -13.970 13.935 3.418 1.00 0.00 C ATOM 935 O LYS A 57 -14.405 14.526 4.407 1.00 0.00 O ATOM 936 CB LYS A 57 -14.779 11.547 3.413 1.00 0.00 C ATOM 937 CG LYS A 57 -15.903 11.332 4.423 1.00 0.00 C ATOM 938 CD LYS A 57 -15.750 12.172 5.690 1.00 0.00 C ATOM 939 CE LYS A 57 -14.583 11.711 6.556 1.00 0.00 C ATOM 940 NZ LYS A 57 -13.262 12.057 5.961 1.00 0.00 N ATOM 0 H LYS A 57 -13.771 11.891 1.184 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.848 13.261 2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.817 10.749 2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.823 11.457 3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.856 11.571 3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.938 10.278 4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.604 13.217 5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.672 12.121 6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.664 12.167 7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.643 10.632 6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.552 12.141 6.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.974 11.310 5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.336 12.962 5.453 1.00 0.00 H new ATOM 954 N ALA A 58 -12.754 14.147 2.929 1.00 0.00 N ATOM 955 CA ALA A 58 -11.823 15.088 3.543 1.00 0.00 C ATOM 956 C ALA A 58 -12.385 16.504 3.542 1.00 0.00 C ATOM 957 O ALA A 58 -12.876 16.991 2.521 1.00 0.00 O ATOM 958 CB ALA A 58 -10.484 15.050 2.823 1.00 0.00 C ATOM 0 H ALA A 58 -12.387 13.676 2.102 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.676 14.787 4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.799 15.757 3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.066 14.045 2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.626 15.321 1.777 1.00 0.00 H new ATOM 964 N ARG A 59 -12.323 17.155 4.695 1.00 0.00 N ATOM 965 CA ARG A 59 -12.815 18.520 4.836 1.00 0.00 C ATOM 966 C ARG A 59 -11.738 19.528 4.441 1.00 0.00 C ATOM 967 O ARG A 59 -12.002 20.485 3.716 1.00 0.00 O ATOM 968 CB ARG A 59 -13.263 18.774 6.282 1.00 0.00 C ATOM 969 CG ARG A 59 -13.681 20.212 6.561 1.00 0.00 C ATOM 970 CD ARG A 59 -14.995 20.571 5.884 1.00 0.00 C ATOM 971 NE ARG A 59 -16.137 19.904 6.512 1.00 0.00 N ATOM 972 CZ ARG A 59 -16.999 20.517 7.327 1.00 0.00 C ATOM 973 NH1 ARG A 59 -16.837 21.801 7.637 1.00 0.00 N ATOM 974 NH2 ARG A 59 -18.017 19.840 7.842 1.00 0.00 N ATOM 0 H ARG A 59 -11.935 16.758 5.551 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.668 18.646 4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.098 18.113 6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -12.449 18.507 6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.777 20.358 7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -12.900 20.889 6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.140 21.651 5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.948 20.294 4.831 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.283 18.914 6.316 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.050 22.323 7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.499 22.263 8.260 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.140 18.853 7.615 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.677 20.306 8.465 1.00 0.00 H new ATOM 988 N ASN A 60 -10.521 19.300 4.907 1.00 0.00 N ATOM 989 CA ASN A 60 -9.435 20.249 4.688 1.00 0.00 C ATOM 990 C ASN A 60 -8.731 19.977 3.365 1.00 0.00 C ATOM 991 O ASN A 60 -8.243 18.871 3.134 1.00 0.00 O ATOM 992 CB ASN A 60 -8.424 20.192 5.838 1.00 0.00 C ATOM 993 CG ASN A 60 -8.993 20.694 7.156 1.00 0.00 C ATOM 994 OD1 ASN A 60 -10.190 20.588 7.415 1.00 0.00 O ATOM 995 ND2 ASN A 60 -8.133 21.239 8.003 1.00 0.00 N ATOM 0 H ASN A 60 -10.258 18.470 5.438 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.870 21.248 4.651 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.083 19.164 5.964 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.550 20.788 5.576 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.457 21.588 8.905 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.147 21.310 7.753 1.00 0.00 H new ATOM 1002 N PRO A 61 -8.669 20.993 2.487 1.00 0.00 N ATOM 1003 CA PRO A 61 -8.064 20.865 1.154 1.00 0.00 C ATOM 1004 C PRO A 61 -6.591 20.467 1.212 1.00 0.00 C ATOM 1005 O PRO A 61 -6.115 19.694 0.382 1.00 0.00 O ATOM 1006 CB PRO A 61 -8.218 22.264 0.542 1.00 0.00 C ATOM 1007 CG PRO A 61 -8.470 23.176 1.694 1.00 0.00 C ATOM 1008 CD PRO A 61 -9.191 22.354 2.723 1.00 0.00 C ATOM 0 HA PRO A 61 -8.546 20.079 0.572 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.319 22.556 -0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.043 22.293 -0.169 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.534 23.568 2.093 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.070 24.033 1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.978 22.698 3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.272 22.400 2.591 1.00 0.00 H new ATOM 1016 N GLU A 62 -5.874 20.991 2.203 1.00 0.00 N ATOM 1017 CA GLU A 62 -4.472 20.691 2.375 1.00 0.00 C ATOM 1018 C GLU A 62 -4.268 19.215 2.706 1.00 0.00 C ATOM 1019 O GLU A 62 -3.386 18.559 2.152 1.00 0.00 O ATOM 1020 CB GLU A 62 -3.916 21.572 3.481 1.00 0.00 C ATOM 1021 CG GLU A 62 -3.974 23.057 3.154 1.00 0.00 C ATOM 1022 CD GLU A 62 -3.210 23.915 4.140 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -3.558 23.907 5.335 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -2.274 24.629 3.710 1.00 0.00 O ATOM 0 H GLU A 62 -6.254 21.631 2.901 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.941 20.893 1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.474 21.387 4.399 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.881 21.290 3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.572 23.218 2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.016 23.378 3.134 1.00 0.00 H new ATOM 1031 N LYS A 63 -5.107 18.699 3.597 1.00 0.00 N ATOM 1032 CA LYS A 63 -5.085 17.277 3.939 1.00 0.00 C ATOM 1033 C LYS A 63 -5.477 16.432 2.729 1.00 0.00 C ATOM 1034 O LYS A 63 -4.909 15.368 2.491 1.00 0.00 O ATOM 1035 CB LYS A 63 -6.031 16.974 5.105 1.00 0.00 C ATOM 1036 CG LYS A 63 -5.666 17.679 6.403 1.00 0.00 C ATOM 1037 CD LYS A 63 -6.640 17.319 7.517 1.00 0.00 C ATOM 1038 CE LYS A 63 -6.379 18.120 8.787 1.00 0.00 C ATOM 1039 NZ LYS A 63 -5.076 17.781 9.421 1.00 0.00 N ATOM 0 H LYS A 63 -5.811 19.242 4.097 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.069 17.024 4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.043 17.261 4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.042 15.898 5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.654 17.403 6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.670 18.758 6.248 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.660 17.499 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.561 16.254 7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.398 19.184 8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.184 17.937 9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.948 18.353 10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.064 16.772 9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.303 17.980 8.754 1.00 0.00 H new ATOM 1053 N ARG A 64 -6.444 16.925 1.963 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.915 16.228 0.770 1.00 0.00 C ATOM 1055 C ARG A 64 -5.783 16.075 -0.249 1.00 0.00 C ATOM 1056 O ARG A 64 -5.689 15.057 -0.933 1.00 0.00 O ATOM 1057 CB ARG A 64 -8.117 16.978 0.163 1.00 0.00 C ATOM 1058 CG ARG A 64 -8.648 16.379 -1.134 1.00 0.00 C ATOM 1059 CD ARG A 64 -7.991 17.009 -2.351 1.00 0.00 C ATOM 1060 NE ARG A 64 -8.208 16.227 -3.565 1.00 0.00 N ATOM 1061 CZ ARG A 64 -7.616 16.487 -4.729 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -6.860 17.572 -4.866 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -7.788 15.669 -5.759 1.00 0.00 N ATOM 0 H ARG A 64 -6.919 17.808 2.148 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.242 15.227 1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.924 16.998 0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.828 18.013 -0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.469 15.304 -1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.727 16.523 -1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.385 18.015 -2.494 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.920 17.109 -2.172 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.850 15.436 -3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.732 18.207 -4.078 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.408 17.769 -5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.374 14.840 -5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.334 15.869 -6.650 1.00 0.00 H new ATOM 1077 N GLN A 65 -4.922 17.084 -0.335 1.00 0.00 N ATOM 1078 CA GLN A 65 -3.778 17.049 -1.245 1.00 0.00 C ATOM 1079 C GLN A 65 -2.818 15.940 -0.849 1.00 0.00 C ATOM 1080 O GLN A 65 -2.278 15.237 -1.703 1.00 0.00 O ATOM 1081 CB GLN A 65 -3.059 18.399 -1.235 1.00 0.00 C ATOM 1082 CG GLN A 65 -1.966 18.520 -2.284 1.00 0.00 C ATOM 1083 CD GLN A 65 -1.329 19.893 -2.314 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -1.771 20.779 -3.048 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -0.294 20.081 -1.514 1.00 0.00 N ATOM 0 H GLN A 65 -4.994 17.940 0.216 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.140 16.849 -2.253 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.791 19.191 -1.393 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.623 18.561 -0.249 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.197 17.772 -2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.385 18.298 -3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.039 19.319 -0.923 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.172 20.988 -1.488 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.622 15.785 0.449 1.00 0.00 N ATOM 1095 CA VAL A 66 -1.801 14.702 0.971 1.00 0.00 C ATOM 1096 C VAL A 66 -2.386 13.352 0.557 1.00 0.00 C ATOM 1097 O VAL A 66 -1.662 12.458 0.117 1.00 0.00 O ATOM 1098 CB VAL A 66 -1.691 14.763 2.512 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -0.794 13.651 3.036 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -1.171 16.121 2.959 1.00 0.00 C ATOM 0 H VAL A 66 -3.020 16.395 1.163 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.801 14.816 0.552 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.689 14.621 2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.732 13.715 4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.210 12.684 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.203 13.756 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.101 16.144 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.185 16.293 2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.854 16.901 2.623 1.00 0.00 H new ATOM 1110 N ILE A 67 -3.705 13.231 0.670 1.00 0.00 N ATOM 1111 CA ILE A 67 -4.405 12.008 0.285 1.00 0.00 C ATOM 1112 C ILE A 67 -4.259 11.746 -1.215 1.00 0.00 C ATOM 1113 O ILE A 67 -3.989 10.620 -1.628 1.00 0.00 O ATOM 1114 CB ILE A 67 -5.906 12.077 0.646 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -6.074 12.296 2.151 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -6.626 10.806 0.204 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -7.511 12.479 2.588 1.00 0.00 C ATOM 0 H ILE A 67 -4.314 13.968 1.026 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.948 11.190 0.842 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.353 12.919 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.649 11.444 2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.500 13.174 2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.681 10.875 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.529 10.689 -0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.183 9.944 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.547 12.629 3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.936 13.349 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.087 11.592 2.326 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.435 12.794 -2.018 1.00 0.00 N ATOM 1130 CA ASP A 68 -4.295 12.695 -3.474 1.00 0.00 C ATOM 1131 C ASP A 68 -2.906 12.199 -3.849 1.00 0.00 C ATOM 1132 O ASP A 68 -2.749 11.359 -4.737 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.549 14.052 -4.130 1.00 0.00 C ATOM 1134 CG ASP A 68 -4.314 14.036 -5.633 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -5.169 13.509 -6.379 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -3.277 14.571 -6.077 1.00 0.00 O ATOM 0 H ASP A 68 -4.676 13.727 -1.685 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.035 11.980 -3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.576 14.360 -3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.899 14.798 -3.674 1.00 0.00 H new ATOM 1141 N LYS A 69 -1.903 12.730 -3.163 1.00 0.00 N ATOM 1142 CA LYS A 69 -0.522 12.284 -3.369 1.00 0.00 C ATOM 1143 C LYS A 69 -0.372 10.788 -3.083 1.00 0.00 C ATOM 1144 O LYS A 69 0.241 10.057 -3.859 1.00 0.00 O ATOM 1145 CB LYS A 69 0.446 13.055 -2.473 1.00 0.00 C ATOM 1146 CG LYS A 69 0.546 14.539 -2.777 1.00 0.00 C ATOM 1147 CD LYS A 69 1.605 15.189 -1.906 1.00 0.00 C ATOM 1148 CE LYS A 69 2.990 14.655 -2.233 1.00 0.00 C ATOM 1149 NZ LYS A 69 3.973 14.962 -1.164 1.00 0.00 N ATOM 0 H LYS A 69 -2.013 13.464 -2.464 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.281 12.477 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.137 12.931 -1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.437 12.611 -2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.792 14.685 -3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.418 15.017 -2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.586 16.269 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.380 15.004 -0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.937 13.576 -2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.332 15.086 -3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.904 14.580 -1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.044 15.992 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.662 14.529 -0.271 1.00 0.00 H new ATOM 1163 N ILE A 70 -0.948 10.336 -1.972 1.00 0.00 N ATOM 1164 CA ILE A 70 -0.875 8.930 -1.593 1.00 0.00 C ATOM 1165 C ILE A 70 -1.666 8.071 -2.576 1.00 0.00 C ATOM 1166 O ILE A 70 -1.236 6.978 -2.950 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.386 8.694 -0.155 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.614 9.579 0.833 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -1.231 7.226 0.220 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -1.102 9.467 2.261 1.00 0.00 C ATOM 0 H ILE A 70 -1.469 10.923 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 70 0.175 8.640 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.442 8.959 -0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.442 9.312 0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.691 10.618 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.594 7.070 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.808 6.611 -0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.179 6.945 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.509 10.121 2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.150 9.763 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.999 8.436 2.601 1.00 0.00 H new ATOM 1182 N LEU A 71 -2.810 8.590 -3.010 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.628 7.935 -4.019 1.00 0.00 C ATOM 1184 C LEU A 71 -2.815 7.684 -5.280 1.00 0.00 C ATOM 1185 O LEU A 71 -2.865 6.603 -5.865 1.00 0.00 O ATOM 1186 CB LEU A 71 -4.827 8.820 -4.351 1.00 0.00 C ATOM 1187 CG LEU A 71 -6.130 8.460 -3.640 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.159 9.562 -3.829 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -6.672 7.141 -4.172 1.00 0.00 C ATOM 0 H LEU A 71 -3.193 9.473 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.973 6.978 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.573 9.851 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.998 8.781 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.926 8.353 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.082 9.290 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.775 10.494 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.360 9.694 -4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.601 6.895 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.862 7.231 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.941 6.351 -3.999 1.00 0.00 H new ATOM 1201 N GLU A 72 -2.048 8.692 -5.667 1.00 0.00 N ATOM 1202 CA GLU A 72 -1.201 8.626 -6.850 1.00 0.00 C ATOM 1203 C GLU A 72 -0.127 7.549 -6.667 1.00 0.00 C ATOM 1204 O GLU A 72 0.184 6.797 -7.593 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.553 10.005 -7.064 1.00 0.00 C ATOM 1206 CG GLU A 72 -0.208 10.352 -8.507 1.00 0.00 C ATOM 1207 CD GLU A 72 0.942 9.550 -9.076 1.00 0.00 C ATOM 1208 OE1 GLU A 72 1.936 9.319 -8.358 1.00 0.00 O ATOM 1209 OE2 GLU A 72 0.869 9.178 -10.264 1.00 0.00 O ATOM 0 H GLU A 72 -1.995 9.581 -5.169 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.797 8.363 -7.724 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.228 10.768 -6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.359 10.055 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.090 10.194 -9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.038 11.412 -8.566 1.00 0.00 H new ATOM 1216 N ASP A 73 0.421 7.477 -5.458 1.00 0.00 N ATOM 1217 CA ASP A 73 1.474 6.516 -5.139 1.00 0.00 C ATOM 1218 C ASP A 73 0.960 5.082 -5.114 1.00 0.00 C ATOM 1219 O ASP A 73 1.589 4.187 -5.670 1.00 0.00 O ATOM 1220 CB ASP A 73 2.123 6.848 -3.796 1.00 0.00 C ATOM 1221 CG ASP A 73 3.245 7.862 -3.916 1.00 0.00 C ATOM 1222 OD1 ASP A 73 3.462 8.393 -5.030 1.00 0.00 O ATOM 1223 OD2 ASP A 73 3.921 8.115 -2.893 1.00 0.00 O ATOM 0 H ASP A 73 0.152 8.076 -4.678 1.00 0.00 H new ATOM 0 HA ASP A 73 2.217 6.594 -5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.363 7.234 -3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.513 5.933 -3.351 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.177 4.857 -4.466 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.713 3.503 -4.341 1.00 0.00 C ATOM 1230 C GLU A 74 -1.186 2.980 -5.696 1.00 0.00 C ATOM 1231 O GLU A 74 -0.924 1.830 -6.050 1.00 0.00 O ATOM 1232 CB GLU A 74 -1.849 3.459 -3.314 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.461 4.003 -1.940 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.334 3.233 -1.261 1.00 0.00 C ATOM 1235 OE1 GLU A 74 0.383 2.454 -1.937 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.141 3.421 -0.032 1.00 0.00 O ATOM 0 H GLU A 74 -0.741 5.583 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 74 0.088 2.853 -3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.694 4.032 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.187 2.429 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.162 5.046 -2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.339 3.987 -1.294 1.00 0.00 H new ATOM 1243 N GLU A 75 -1.864 3.837 -6.454 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.270 3.537 -7.810 1.00 0.00 C ATOM 1245 C GLU A 75 -1.039 3.192 -8.663 1.00 0.00 C ATOM 1246 O GLU A 75 -1.086 2.321 -9.536 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.002 4.776 -8.331 1.00 0.00 C ATOM 1248 CG GLU A 75 -3.435 4.715 -9.775 1.00 0.00 C ATOM 1249 CD GLU A 75 -2.646 5.710 -10.593 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -2.818 6.912 -10.339 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -1.695 5.259 -11.251 1.00 0.00 O ATOM 0 H GLU A 75 -2.146 4.764 -6.136 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.930 2.671 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.884 4.943 -7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.353 5.642 -8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.284 3.709 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.501 4.931 -9.853 1.00 0.00 H new ATOM 1258 N LYS A 76 0.064 3.867 -8.358 1.00 0.00 N ATOM 1259 CA LYS A 76 1.351 3.655 -9.019 1.00 0.00 C ATOM 1260 C LYS A 76 1.905 2.266 -8.700 1.00 0.00 C ATOM 1261 O LYS A 76 2.375 1.552 -9.587 1.00 0.00 O ATOM 1262 CB LYS A 76 2.333 4.710 -8.505 1.00 0.00 C ATOM 1263 CG LYS A 76 3.534 4.981 -9.391 1.00 0.00 C ATOM 1264 CD LYS A 76 4.755 5.392 -8.567 1.00 0.00 C ATOM 1265 CE LYS A 76 4.390 6.179 -7.307 1.00 0.00 C ATOM 1266 NZ LYS A 76 3.950 7.572 -7.592 1.00 0.00 N ATOM 0 H LYS A 76 0.092 4.587 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 76 1.217 3.735 -10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.791 5.645 -8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.692 4.398 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.769 4.089 -9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.292 5.770 -10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.311 4.499 -8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.418 5.996 -9.187 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.595 5.655 -6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.253 6.206 -6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.962 8.127 -6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.595 8.005 -8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.985 7.559 -7.980 1.00 0.00 H new ATOM 1280 N HIS A 77 1.852 1.898 -7.420 1.00 0.00 N ATOM 1281 CA HIS A 77 2.393 0.620 -6.963 1.00 0.00 C ATOM 1282 C HIS A 77 1.651 -0.540 -7.617 1.00 0.00 C ATOM 1283 O HIS A 77 2.264 -1.528 -8.025 1.00 0.00 O ATOM 1284 CB HIS A 77 2.294 0.491 -5.438 1.00 0.00 C ATOM 1285 CG HIS A 77 3.036 1.543 -4.662 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.648 1.901 -3.387 1.00 0.00 N ATOM 1287 CD2 HIS A 77 4.136 2.254 -5.005 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.520 2.817 -2.992 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.440 3.063 -3.938 1.00 0.00 N ATOM 0 H HIS A 77 1.439 2.468 -6.681 1.00 0.00 H new ATOM 0 HA HIS A 77 3.444 0.586 -7.251 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.242 0.525 -5.153 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.672 -0.489 -5.146 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.855 1.536 -2.859 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.673 2.196 -5.940 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.494 3.305 -2.029 1.00 0.00 H new ATOM 1297 N ILE A 78 0.329 -0.407 -7.716 1.00 0.00 N ATOM 1298 CA ILE A 78 -0.492 -1.417 -8.374 1.00 0.00 C ATOM 1299 C ILE A 78 0.002 -1.639 -9.798 1.00 0.00 C ATOM 1300 O ILE A 78 0.166 -2.773 -10.246 1.00 0.00 O ATOM 1301 CB ILE A 78 -1.978 -0.998 -8.426 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -2.498 -0.673 -7.028 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -2.820 -2.098 -9.059 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -3.913 -0.137 -7.016 1.00 0.00 C ATOM 0 H ILE A 78 -0.193 0.389 -7.349 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.408 -2.336 -7.793 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.057 -0.101 -9.040 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.455 -1.573 -6.415 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.837 0.060 -6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.864 -1.786 -9.088 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.470 -2.286 -10.074 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.730 -3.010 -8.469 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.214 0.071 -5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.959 0.781 -7.601 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.586 -0.877 -7.449 1.00 0.00 H new ATOM 1316 N GLU A 79 0.261 -0.536 -10.485 1.00 0.00 N ATOM 1317 CA GLU A 79 0.749 -0.565 -11.848 1.00 0.00 C ATOM 1318 C GLU A 79 2.050 -1.361 -11.967 1.00 0.00 C ATOM 1319 O GLU A 79 2.237 -2.103 -12.934 1.00 0.00 O ATOM 1320 CB GLU A 79 0.925 0.865 -12.358 1.00 0.00 C ATOM 1321 CG GLU A 79 -0.390 1.545 -12.717 1.00 0.00 C ATOM 1322 CD GLU A 79 -1.251 0.698 -13.636 1.00 0.00 C ATOM 1323 OE1 GLU A 79 -0.816 0.405 -14.768 1.00 0.00 O ATOM 1324 OE2 GLU A 79 -2.373 0.318 -13.231 1.00 0.00 O ATOM 0 H GLU A 79 0.137 0.404 -10.109 1.00 0.00 H new ATOM 0 HA GLU A 79 0.012 -1.075 -12.469 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.434 1.455 -11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.571 0.853 -13.236 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.944 1.762 -11.804 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.182 2.500 -13.198 1.00 0.00 H new ATOM 1331 N TRP A 80 2.942 -1.208 -10.992 1.00 0.00 N ATOM 1332 CA TRP A 80 4.200 -1.951 -10.991 1.00 0.00 C ATOM 1333 C TRP A 80 3.951 -3.449 -10.821 1.00 0.00 C ATOM 1334 O TRP A 80 4.488 -4.271 -11.566 1.00 0.00 O ATOM 1335 CB TRP A 80 5.108 -1.495 -9.848 1.00 0.00 C ATOM 1336 CG TRP A 80 5.565 -0.074 -9.918 1.00 0.00 C ATOM 1337 CD1 TRP A 80 5.588 0.746 -11.010 1.00 0.00 C ATOM 1338 CD2 TRP A 80 6.101 0.687 -8.830 1.00 0.00 C ATOM 1339 NE1 TRP A 80 6.093 1.976 -10.663 1.00 0.00 N ATOM 1340 CE2 TRP A 80 6.419 1.961 -9.330 1.00 0.00 C ATOM 1341 CE3 TRP A 80 6.340 0.409 -7.480 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 6.963 2.957 -8.528 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 6.879 1.399 -6.683 1.00 0.00 C ATOM 1344 CH2 TRP A 80 7.186 2.660 -7.210 1.00 0.00 C ATOM 0 H TRP A 80 2.819 -0.581 -10.197 1.00 0.00 H new ATOM 0 HA TRP A 80 4.681 -1.757 -11.950 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.579 -1.643 -8.906 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.986 -2.140 -9.825 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.258 0.469 -12.000 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.207 2.770 -11.293 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.107 -0.562 -7.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.201 3.931 -8.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.067 1.198 -5.639 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.608 3.415 -6.563 1.00 0.00 H new ATOM 1355 N HIS A 81 3.110 -3.793 -9.851 1.00 0.00 N ATOM 1356 CA HIS A 81 2.858 -5.191 -9.506 1.00 0.00 C ATOM 1357 C HIS A 81 2.072 -5.917 -10.591 1.00 0.00 C ATOM 1358 O HIS A 81 2.241 -7.124 -10.789 1.00 0.00 O ATOM 1359 CB HIS A 81 2.145 -5.293 -8.154 1.00 0.00 C ATOM 1360 CG HIS A 81 3.065 -5.070 -6.991 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.707 -6.088 -6.323 1.00 0.00 N ATOM 1362 CD2 HIS A 81 3.475 -3.921 -6.398 1.00 0.00 C ATOM 1363 CE1 HIS A 81 4.471 -5.544 -5.373 1.00 0.00 C ATOM 1364 NE2 HIS A 81 4.366 -4.232 -5.374 1.00 0.00 N ATOM 0 H HIS A 81 2.589 -3.121 -9.287 1.00 0.00 H new ATOM 0 HA HIS A 81 3.826 -5.686 -9.428 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.338 -4.561 -8.118 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.686 -6.278 -8.064 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.615 -7.085 -6.520 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.161 -2.926 -6.675 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.093 -6.107 -4.693 1.00 0.00 H new ATOM 1372 N LYS A 82 1.216 -5.183 -11.292 1.00 0.00 N ATOM 1373 CA LYS A 82 0.448 -5.749 -12.398 1.00 0.00 C ATOM 1374 C LYS A 82 1.374 -6.238 -13.510 1.00 0.00 C ATOM 1375 O LYS A 82 1.115 -7.262 -14.141 1.00 0.00 O ATOM 1376 CB LYS A 82 -0.537 -4.709 -12.940 1.00 0.00 C ATOM 1377 CG LYS A 82 -1.741 -4.483 -12.038 1.00 0.00 C ATOM 1378 CD LYS A 82 -2.468 -3.191 -12.384 1.00 0.00 C ATOM 1379 CE LYS A 82 -2.881 -3.137 -13.845 1.00 0.00 C ATOM 1380 NZ LYS A 82 -3.635 -1.892 -14.154 1.00 0.00 N ATOM 0 H LYS A 82 1.035 -4.195 -11.115 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.113 -6.606 -12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.014 -3.763 -13.078 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.884 -5.027 -13.923 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.428 -5.324 -12.131 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.416 -4.451 -10.998 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.353 -3.094 -11.755 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.823 -2.342 -12.159 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.995 -3.193 -14.477 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.497 -4.005 -14.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.552 -1.678 -15.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.637 -2.023 -13.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.244 -1.103 -13.601 1.00 0.00 H new ATOM 1394 N ALA A 83 2.463 -5.515 -13.730 1.00 0.00 N ATOM 1395 CA ALA A 83 3.423 -5.876 -14.762 1.00 0.00 C ATOM 1396 C ALA A 83 4.220 -7.118 -14.368 1.00 0.00 C ATOM 1397 O ALA A 83 4.607 -7.916 -15.221 1.00 0.00 O ATOM 1398 CB ALA A 83 4.360 -4.710 -15.037 1.00 0.00 C ATOM 0 H ALA A 83 2.704 -4.673 -13.206 1.00 0.00 H new ATOM 0 HA ALA A 83 2.870 -6.109 -15.672 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.074 -4.992 -15.811 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.781 -3.850 -15.373 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.897 -4.452 -14.124 1.00 0.00 H new ATOM 1404 N ALA A 84 4.445 -7.281 -13.070 1.00 0.00 N ATOM 1405 CA ALA A 84 5.270 -8.371 -12.563 1.00 0.00 C ATOM 1406 C ALA A 84 4.634 -9.736 -12.830 1.00 0.00 C ATOM 1407 O ALA A 84 5.334 -10.714 -13.098 1.00 0.00 O ATOM 1408 CB ALA A 84 5.526 -8.190 -11.075 1.00 0.00 C ATOM 0 H ALA A 84 4.066 -6.670 -12.347 1.00 0.00 H new ATOM 0 HA ALA A 84 6.220 -8.341 -13.096 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.143 -9.011 -10.710 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.042 -7.245 -10.907 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.576 -8.184 -10.540 1.00 0.00 H new ATOM 1485 N ALA A 90 11.707 -13.709 -9.828 1.00 0.00 N ATOM 1486 CA ALA A 90 11.994 -13.522 -8.408 1.00 0.00 C ATOM 1487 C ALA A 90 12.891 -12.312 -8.163 1.00 0.00 C ATOM 1488 O ALA A 90 12.713 -11.593 -7.179 1.00 0.00 O ATOM 1489 CB ALA A 90 12.631 -14.779 -7.829 1.00 0.00 C ATOM 0 HA ALA A 90 11.046 -13.334 -7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.840 -14.626 -6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 90 11.948 -15.620 -7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.562 -14.991 -8.356 1.00 0.00 H new ATOM 1495 N GLU A 91 13.835 -12.078 -9.069 1.00 0.00 N ATOM 1496 CA GLU A 91 14.804 -11.005 -8.906 1.00 0.00 C ATOM 1497 C GLU A 91 14.130 -9.634 -8.863 1.00 0.00 C ATOM 1498 O GLU A 91 14.361 -8.843 -7.946 1.00 0.00 O ATOM 1499 CB GLU A 91 15.800 -11.054 -10.059 1.00 0.00 C ATOM 1500 CG GLU A 91 16.605 -12.340 -10.112 1.00 0.00 C ATOM 1501 CD GLU A 91 17.453 -12.548 -8.874 1.00 0.00 C ATOM 1502 OE1 GLU A 91 18.491 -11.870 -8.742 1.00 0.00 O ATOM 1503 OE2 GLU A 91 17.088 -13.389 -8.028 1.00 0.00 O ATOM 0 H GLU A 91 13.948 -12.620 -9.926 1.00 0.00 H new ATOM 0 HA GLU A 91 15.317 -11.149 -7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.261 -10.933 -10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.484 -10.210 -9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 91 15.926 -13.185 -10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.249 -12.325 -10.991 1.00 0.00 H new ATOM 1510 N GLN A 92 13.282 -9.361 -9.844 1.00 0.00 N ATOM 1511 CA GLN A 92 12.561 -8.095 -9.884 1.00 0.00 C ATOM 1512 C GLN A 92 11.461 -8.061 -8.832 1.00 0.00 C ATOM 1513 O GLN A 92 11.169 -7.010 -8.269 1.00 0.00 O ATOM 1514 CB GLN A 92 11.980 -7.817 -11.276 1.00 0.00 C ATOM 1515 CG GLN A 92 11.081 -8.913 -11.823 1.00 0.00 C ATOM 1516 CD GLN A 92 10.324 -8.465 -13.057 1.00 0.00 C ATOM 1517 OE1 GLN A 92 9.201 -7.975 -12.963 1.00 0.00 O ATOM 1518 NE2 GLN A 92 10.941 -8.603 -14.216 1.00 0.00 N ATOM 0 H GLN A 92 13.077 -9.993 -10.618 1.00 0.00 H new ATOM 0 HA GLN A 92 13.280 -7.307 -9.660 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.413 -6.887 -11.238 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.803 -7.660 -11.973 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.683 -9.788 -12.066 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.372 -9.217 -11.053 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.873 -9.015 -14.251 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.485 -8.298 -15.076 1.00 0.00 H new ATOM 1527 N PHE A 93 10.865 -9.217 -8.560 1.00 0.00 N ATOM 1528 CA PHE A 93 9.770 -9.309 -7.601 1.00 0.00 C ATOM 1529 C PHE A 93 10.249 -8.936 -6.202 1.00 0.00 C ATOM 1530 O PHE A 93 9.625 -8.124 -5.521 1.00 0.00 O ATOM 1531 CB PHE A 93 9.180 -10.722 -7.598 1.00 0.00 C ATOM 1532 CG PHE A 93 7.944 -10.857 -6.754 1.00 0.00 C ATOM 1533 CD1 PHE A 93 6.726 -10.386 -7.216 1.00 0.00 C ATOM 1534 CD2 PHE A 93 7.996 -11.456 -5.506 1.00 0.00 C ATOM 1535 CE1 PHE A 93 5.586 -10.499 -6.446 1.00 0.00 C ATOM 1536 CE2 PHE A 93 6.859 -11.572 -4.729 1.00 0.00 C ATOM 1537 CZ PHE A 93 5.650 -11.098 -5.202 1.00 0.00 C ATOM 0 H PHE A 93 11.122 -10.105 -8.991 1.00 0.00 H new ATOM 0 HA PHE A 93 8.993 -8.606 -7.900 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.943 -11.010 -8.622 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.934 -11.421 -7.237 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.668 -9.925 -8.191 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.936 -11.837 -5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.645 -10.120 -6.815 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.915 -12.032 -3.754 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.758 -11.195 -4.601 1.00 0.00 H new ATOM 1547 N ALA A 94 11.373 -9.515 -5.789 1.00 0.00 N ATOM 1548 CA ALA A 94 11.942 -9.237 -4.476 1.00 0.00 C ATOM 1549 C ALA A 94 12.337 -7.768 -4.362 1.00 0.00 C ATOM 1550 O ALA A 94 12.172 -7.148 -3.310 1.00 0.00 O ATOM 1551 CB ALA A 94 13.142 -10.138 -4.216 1.00 0.00 C ATOM 0 H ALA A 94 11.908 -10.181 -6.347 1.00 0.00 H new ATOM 0 HA ALA A 94 11.185 -9.445 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.556 -9.918 -3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.828 -11.181 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.902 -9.960 -4.977 1.00 0.00 H new ATOM 1557 N SER A 95 12.841 -7.213 -5.458 1.00 0.00 N ATOM 1558 CA SER A 95 13.226 -5.819 -5.501 1.00 0.00 C ATOM 1559 C SER A 95 11.993 -4.919 -5.420 1.00 0.00 C ATOM 1560 O SER A 95 11.989 -3.912 -4.710 1.00 0.00 O ATOM 1561 CB SER A 95 13.996 -5.555 -6.792 1.00 0.00 C ATOM 1562 OG SER A 95 15.126 -6.414 -6.905 1.00 0.00 O ATOM 0 H SER A 95 12.991 -7.717 -6.332 1.00 0.00 H new ATOM 0 HA SER A 95 13.863 -5.593 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.337 -5.703 -7.648 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.323 -4.515 -6.817 1.00 0.00 H new ATOM 0 HG SER A 95 14.832 -7.306 -7.183 1.00 0.00 H new ATOM 1568 N LEU A 96 10.944 -5.310 -6.139 1.00 0.00 N ATOM 1569 CA LEU A 96 9.701 -4.550 -6.179 1.00 0.00 C ATOM 1570 C LEU A 96 9.067 -4.472 -4.796 1.00 0.00 C ATOM 1571 O LEU A 96 8.686 -3.394 -4.339 1.00 0.00 O ATOM 1572 CB LEU A 96 8.734 -5.207 -7.167 1.00 0.00 C ATOM 1573 CG LEU A 96 7.392 -4.497 -7.353 1.00 0.00 C ATOM 1574 CD1 LEU A 96 7.603 -3.048 -7.766 1.00 0.00 C ATOM 1575 CD2 LEU A 96 6.553 -5.228 -8.389 1.00 0.00 C ATOM 0 H LEU A 96 10.933 -6.157 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 96 9.921 -3.534 -6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.226 -5.275 -8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.542 -6.227 -6.835 1.00 0.00 H new ATOM 0 HG LEU A 96 6.861 -4.506 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.636 -2.561 -7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.172 -2.529 -6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.153 -3.014 -8.707 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.600 -4.714 -8.514 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.084 -5.244 -9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.373 -6.250 -8.056 1.00 0.00 H new ATOM 1587 N VAL A 97 8.975 -5.617 -4.127 1.00 0.00 N ATOM 1588 CA VAL A 97 8.402 -5.677 -2.788 1.00 0.00 C ATOM 1589 C VAL A 97 9.229 -4.845 -1.811 1.00 0.00 C ATOM 1590 O VAL A 97 8.685 -4.155 -0.949 1.00 0.00 O ATOM 1591 CB VAL A 97 8.302 -7.133 -2.277 1.00 0.00 C ATOM 1592 CG1 VAL A 97 7.735 -7.177 -0.863 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.448 -7.971 -3.221 1.00 0.00 C ATOM 0 H VAL A 97 9.290 -6.516 -4.491 1.00 0.00 H new ATOM 0 HA VAL A 97 7.394 -5.265 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 97 9.307 -7.553 -2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.675 -8.212 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.385 -6.615 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.739 -6.735 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.388 -8.993 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.446 -7.546 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.899 -7.974 -4.213 1.00 0.00 H new ATOM 1603 N GLN A 98 10.547 -4.899 -1.971 1.00 0.00 N ATOM 1604 CA GLN A 98 11.458 -4.159 -1.110 1.00 0.00 C ATOM 1605 C GLN A 98 11.231 -2.652 -1.239 1.00 0.00 C ATOM 1606 O GLN A 98 11.152 -1.941 -0.237 1.00 0.00 O ATOM 1607 CB GLN A 98 12.911 -4.509 -1.451 1.00 0.00 C ATOM 1608 CG GLN A 98 13.938 -3.822 -0.562 1.00 0.00 C ATOM 1609 CD GLN A 98 13.844 -4.250 0.892 1.00 0.00 C ATOM 1610 OE1 GLN A 98 13.462 -5.496 1.128 1.00 0.00 O flip ATOM 1611 NE2 GLN A 98 14.133 -3.471 1.799 1.00 0.00 N flip ATOM 0 H GLN A 98 11.009 -5.451 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 98 11.258 -4.445 -0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.042 -5.588 -1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.105 -4.239 -2.489 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.938 -4.041 -0.936 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.803 -2.742 -0.627 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.423 -2.518 1.580 1.00 0.00 H new ATOM 0 HE22 GLN A 98 14.082 -3.778 2.770 1.00 0.00 H new ATOM 1620 N GLN A 99 11.112 -2.168 -2.472 1.00 0.00 N ATOM 1621 CA GLN A 99 10.934 -0.738 -2.705 1.00 0.00 C ATOM 1622 C GLN A 99 9.529 -0.300 -2.310 1.00 0.00 C ATOM 1623 O GLN A 99 9.346 0.771 -1.729 1.00 0.00 O ATOM 1624 CB GLN A 99 11.183 -0.375 -4.166 1.00 0.00 C ATOM 1625 CG GLN A 99 11.540 1.091 -4.356 1.00 0.00 C ATOM 1626 CD GLN A 99 11.069 1.647 -5.683 1.00 0.00 C ATOM 1627 OE1 GLN A 99 11.760 1.545 -6.696 1.00 0.00 O ATOM 1628 NE2 GLN A 99 9.899 2.268 -5.675 1.00 0.00 N ATOM 0 H GLN A 99 11.135 -2.738 -3.318 1.00 0.00 H new ATOM 0 HA GLN A 99 11.665 -0.217 -2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.990 -0.994 -4.557 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.292 -0.606 -4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.100 1.674 -3.547 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.621 1.209 -4.282 1.00 0.00 H new ATOM 0 HE21 GLN A 99 9.360 2.328 -4.811 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.537 2.686 -6.532 1.00 0.00 H new ATOM 1637 N HIS A 100 8.544 -1.133 -2.634 1.00 0.00 N ATOM 1638 CA HIS A 100 7.154 -0.858 -2.281 1.00 0.00 C ATOM 1639 C HIS A 100 7.037 -0.713 -0.764 1.00 0.00 C ATOM 1640 O HIS A 100 6.373 0.193 -0.265 1.00 0.00 O ATOM 1641 CB HIS A 100 6.248 -1.993 -2.784 1.00 0.00 C ATOM 1642 CG HIS A 100 4.773 -1.712 -2.699 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.805 -2.548 -3.208 1.00 0.00 N ATOM 1644 CD2 HIS A 100 4.104 -0.669 -2.144 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.609 -2.006 -2.955 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.732 -0.861 -2.309 1.00 0.00 N ATOM 0 H HIS A 100 8.683 -2.007 -3.142 1.00 0.00 H new ATOM 0 HA HIS A 100 6.835 0.071 -2.754 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.503 -2.208 -3.822 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.465 -2.893 -2.209 1.00 0.00 H new ATOM 0 HD1 HIS A 100 3.971 -3.429 -3.694 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.562 0.176 -1.652 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.666 -2.447 -3.242 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.981 -0.246 -1.996 1.00 0.00 H new ATOM 1654 N LEU A 101 7.723 -1.600 -0.045 1.00 0.00 N ATOM 1655 CA LEU A 101 7.748 -1.566 1.414 1.00 0.00 C ATOM 1656 C LEU A 101 8.261 -0.217 1.906 1.00 0.00 C ATOM 1657 O LEU A 101 7.652 0.413 2.770 1.00 0.00 O ATOM 1658 CB LEU A 101 8.639 -2.694 1.949 1.00 0.00 C ATOM 1659 CG LEU A 101 8.711 -2.811 3.474 1.00 0.00 C ATOM 1660 CD1 LEU A 101 7.349 -3.157 4.056 1.00 0.00 C ATOM 1661 CD2 LEU A 101 9.744 -3.852 3.880 1.00 0.00 C ATOM 0 H LEU A 101 8.272 -2.356 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 101 6.733 -1.708 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.278 -3.640 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.649 -2.549 1.565 1.00 0.00 H new ATOM 0 HG LEU A 101 9.016 -1.844 3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.426 -3.235 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.634 -2.376 3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.010 -4.109 3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.782 -3.922 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.468 -4.821 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.723 -3.560 3.501 1.00 0.00 H new ATOM 1673 N GLN A 102 9.371 0.228 1.329 1.00 0.00 N ATOM 1674 CA GLN A 102 9.977 1.486 1.682 1.00 0.00 C ATOM 1675 C GLN A 102 9.020 2.652 1.429 1.00 0.00 C ATOM 1676 O GLN A 102 8.879 3.542 2.270 1.00 0.00 O ATOM 1677 CB GLN A 102 11.247 1.642 0.856 1.00 0.00 C ATOM 1678 CG GLN A 102 12.432 0.844 1.377 1.00 0.00 C ATOM 1679 CD GLN A 102 13.106 1.506 2.564 1.00 0.00 C ATOM 1680 OE1 GLN A 102 14.041 2.290 2.397 1.00 0.00 O ATOM 1681 NE2 GLN A 102 12.642 1.205 3.765 1.00 0.00 N ATOM 0 H GLN A 102 9.871 -0.283 0.601 1.00 0.00 H new ATOM 0 HA GLN A 102 10.214 1.496 2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.040 1.336 -0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.519 2.697 0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.096 -0.152 1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.160 0.716 0.576 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.866 0.551 3.863 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.060 1.627 4.594 1.00 0.00 H new ATOM 1690 N ASP A 103 8.350 2.633 0.280 1.00 0.00 N ATOM 1691 CA ASP A 103 7.402 3.688 -0.069 1.00 0.00 C ATOM 1692 C ASP A 103 6.233 3.725 0.909 1.00 0.00 C ATOM 1693 O ASP A 103 5.810 4.799 1.333 1.00 0.00 O ATOM 1694 CB ASP A 103 6.885 3.520 -1.506 1.00 0.00 C ATOM 1695 CG ASP A 103 7.754 4.232 -2.529 1.00 0.00 C ATOM 1696 OD1 ASP A 103 7.796 5.484 -2.506 1.00 0.00 O ATOM 1697 OD2 ASP A 103 8.375 3.554 -3.377 1.00 0.00 O ATOM 0 H ASP A 103 8.445 1.901 -0.424 1.00 0.00 H new ATOM 0 HA ASP A 103 7.936 4.636 -0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.840 2.459 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.867 3.905 -1.569 1.00 0.00 H new ATOM 1702 N GLU A 104 5.729 2.556 1.285 1.00 0.00 N ATOM 1703 CA GLU A 104 4.615 2.485 2.225 1.00 0.00 C ATOM 1704 C GLU A 104 5.036 2.965 3.607 1.00 0.00 C ATOM 1705 O GLU A 104 4.264 3.617 4.307 1.00 0.00 O ATOM 1706 CB GLU A 104 4.057 1.066 2.315 1.00 0.00 C ATOM 1707 CG GLU A 104 3.527 0.529 0.997 1.00 0.00 C ATOM 1708 CD GLU A 104 2.411 1.368 0.404 1.00 0.00 C ATOM 1709 OE1 GLU A 104 2.060 2.427 0.976 1.00 0.00 O ATOM 1710 OE2 GLU A 104 1.877 0.984 -0.656 1.00 0.00 O ATOM 0 H GLU A 104 6.069 1.652 0.958 1.00 0.00 H new ATOM 0 HA GLU A 104 3.830 3.142 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.840 0.401 2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.255 1.048 3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.347 0.472 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.165 -0.488 1.148 1.00 0.00 H new ATOM 1717 N GLN A 105 6.264 2.647 3.996 1.00 0.00 N ATOM 1718 CA GLN A 105 6.798 3.102 5.262 1.00 0.00 C ATOM 1719 C GLN A 105 6.903 4.626 5.280 1.00 0.00 C ATOM 1720 O GLN A 105 6.668 5.259 6.303 1.00 0.00 O ATOM 1721 CB GLN A 105 8.152 2.442 5.512 1.00 0.00 C ATOM 1722 CG GLN A 105 8.046 0.950 5.792 1.00 0.00 C ATOM 1723 CD GLN A 105 9.397 0.269 5.900 1.00 0.00 C ATOM 1724 OE1 GLN A 105 10.368 0.685 5.275 1.00 0.00 O ATOM 1725 NE2 GLN A 105 9.469 -0.780 6.702 1.00 0.00 N ATOM 0 H GLN A 105 6.906 2.074 3.448 1.00 0.00 H new ATOM 0 HA GLN A 105 6.123 2.813 6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 105 8.792 2.598 4.643 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.637 2.931 6.357 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.494 0.798 6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.470 0.477 4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.639 -1.096 7.205 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.354 -1.274 6.818 1.00 0.00 H new ATOM 1734 N ARG A 106 7.225 5.209 4.128 1.00 0.00 N ATOM 1735 CA ARG A 106 7.235 6.664 3.980 1.00 0.00 C ATOM 1736 C ARG A 106 5.825 7.235 4.105 1.00 0.00 C ATOM 1737 O ARG A 106 5.643 8.344 4.606 1.00 0.00 O ATOM 1738 CB ARG A 106 7.849 7.073 2.636 1.00 0.00 C ATOM 1739 CG ARG A 106 9.359 7.246 2.676 1.00 0.00 C ATOM 1740 CD ARG A 106 10.077 6.308 1.717 1.00 0.00 C ATOM 1741 NE ARG A 106 9.610 6.439 0.333 1.00 0.00 N ATOM 1742 CZ ARG A 106 10.256 7.124 -0.616 1.00 0.00 C ATOM 1743 NH1 ARG A 106 11.299 7.885 -0.299 1.00 0.00 N ATOM 1744 NH2 ARG A 106 9.834 7.074 -1.876 1.00 0.00 N ATOM 0 H ARG A 106 7.482 4.698 3.284 1.00 0.00 H new ATOM 0 HA ARG A 106 7.848 7.074 4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 106 7.599 6.319 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 106 7.394 8.008 2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.610 8.277 2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.716 7.067 3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.148 6.509 1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.934 5.279 2.048 1.00 0.00 H new ATOM 0 HE ARG A 106 8.737 5.978 0.078 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.609 7.948 0.671 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.790 8.406 -1.026 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.017 6.513 -2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.327 7.597 -2.600 1.00 0.00 H new ATOM 1758 N HIS A 107 4.831 6.479 3.647 1.00 0.00 N ATOM 1759 CA HIS A 107 3.436 6.886 3.795 1.00 0.00 C ATOM 1760 C HIS A 107 3.055 6.930 5.270 1.00 0.00 C ATOM 1761 O HIS A 107 2.439 7.888 5.734 1.00 0.00 O ATOM 1762 CB HIS A 107 2.492 5.941 3.044 1.00 0.00 C ATOM 1763 CG HIS A 107 2.587 6.036 1.551 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.969 5.114 0.731 1.00 0.00 N ATOM 1765 CD2 HIS A 107 3.218 6.959 0.784 1.00 0.00 C ATOM 1766 CE1 HIS A 107 2.242 5.502 -0.509 1.00 0.00 C ATOM 1767 NE2 HIS A 107 2.994 6.612 -0.522 1.00 0.00 N ATOM 0 H HIS A 107 4.964 5.586 3.173 1.00 0.00 H new ATOM 0 HA HIS A 107 3.334 7.881 3.363 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.706 4.916 3.346 1.00 0.00 H new ATOM 0 HB3 HIS A 107 1.467 6.154 3.346 1.00 0.00 H new ATOM 0 HD1 HIS A 107 1.418 4.305 1.017 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.788 7.806 1.136 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.901 4.988 -1.396 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.335 7.105 -1.348 1.00 0.00 H new ATOM 1775 N VAL A 108 3.438 5.891 6.005 1.00 0.00 N ATOM 1776 CA VAL A 108 3.203 5.851 7.444 1.00 0.00 C ATOM 1777 C VAL A 108 3.963 6.983 8.131 1.00 0.00 C ATOM 1778 O VAL A 108 3.435 7.638 9.024 1.00 0.00 O ATOM 1779 CB VAL A 108 3.616 4.493 8.053 1.00 0.00 C ATOM 1780 CG1 VAL A 108 3.411 4.482 9.563 1.00 0.00 C ATOM 1781 CG2 VAL A 108 2.825 3.371 7.404 1.00 0.00 C ATOM 0 H VAL A 108 3.911 5.069 5.630 1.00 0.00 H new ATOM 0 HA VAL A 108 2.133 5.978 7.608 1.00 0.00 H new ATOM 0 HB VAL A 108 4.678 4.340 7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.710 3.513 9.964 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.017 5.266 10.018 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.359 4.659 9.789 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.123 2.417 7.839 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.760 3.531 7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.024 3.358 6.332 1.00 0.00 H new ATOM 1791 N GLU A 109 5.189 7.224 7.676 1.00 0.00 N ATOM 1792 CA GLU A 109 5.999 8.329 8.170 1.00 0.00 C ATOM 1793 C GLU A 109 5.278 9.660 7.991 1.00 0.00 C ATOM 1794 O GLU A 109 5.365 10.547 8.843 1.00 0.00 O ATOM 1795 CB GLU A 109 7.338 8.345 7.430 1.00 0.00 C ATOM 1796 CG GLU A 109 8.325 7.312 7.940 1.00 0.00 C ATOM 1797 CD GLU A 109 8.855 7.635 9.322 1.00 0.00 C ATOM 1798 OE1 GLU A 109 8.070 7.626 10.292 1.00 0.00 O ATOM 1799 OE2 GLU A 109 10.073 7.884 9.447 1.00 0.00 O ATOM 0 H GLU A 109 5.646 6.661 6.958 1.00 0.00 H new ATOM 0 HA GLU A 109 6.174 8.187 9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 109 7.159 8.172 6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 109 7.782 9.336 7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.842 6.335 7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 109 9.160 7.240 7.244 1.00 0.00 H new ATOM 1806 N GLU A 110 4.556 9.787 6.884 1.00 0.00 N ATOM 1807 CA GLU A 110 3.749 10.969 6.619 1.00 0.00 C ATOM 1808 C GLU A 110 2.604 11.056 7.629 1.00 0.00 C ATOM 1809 O GLU A 110 2.361 12.110 8.222 1.00 0.00 O ATOM 1810 CB GLU A 110 3.185 10.903 5.197 1.00 0.00 C ATOM 1811 CG GLU A 110 2.517 12.185 4.727 1.00 0.00 C ATOM 1812 CD GLU A 110 3.512 13.282 4.415 1.00 0.00 C ATOM 1813 OE1 GLU A 110 3.966 13.361 3.259 1.00 0.00 O ATOM 1814 OE2 GLU A 110 3.846 14.069 5.326 1.00 0.00 O ATOM 0 H GLU A 110 4.514 9.079 6.151 1.00 0.00 H new ATOM 0 HA GLU A 110 4.375 11.857 6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.994 10.656 4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.461 10.090 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.923 11.975 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.827 12.534 5.496 1.00 0.00 H new ATOM 1821 N ILE A 111 1.927 9.928 7.831 1.00 0.00 N ATOM 1822 CA ILE A 111 0.764 9.858 8.714 1.00 0.00 C ATOM 1823 C ILE A 111 1.147 10.082 10.180 1.00 0.00 C ATOM 1824 O ILE A 111 0.459 10.805 10.899 1.00 0.00 O ATOM 1825 CB ILE A 111 0.036 8.501 8.577 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -0.395 8.280 7.125 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -1.171 8.438 9.506 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -1.021 6.925 6.870 1.00 0.00 C ATOM 0 H ILE A 111 2.167 9.040 7.390 1.00 0.00 H new ATOM 0 HA ILE A 111 0.091 10.658 8.404 1.00 0.00 H new ATOM 0 HB ILE A 111 0.726 7.708 8.864 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.107 9.057 6.845 1.00 0.00 H new ATOM 0 HG13 ILE A 111 0.474 8.396 6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -1.668 7.474 9.392 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -0.842 8.557 10.538 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -1.867 9.237 9.252 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.300 6.845 5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.305 6.141 7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.910 6.812 7.491 1.00 0.00 H new ATOM 1840 N GLU A 112 2.242 9.463 10.619 1.00 0.00 N ATOM 1841 CA GLU A 112 2.717 9.611 11.985 1.00 0.00 C ATOM 1842 C GLU A 112 3.000 11.077 12.311 1.00 0.00 C ATOM 1843 O GLU A 112 2.727 11.548 13.415 1.00 0.00 O ATOM 1844 CB GLU A 112 3.990 8.787 12.178 1.00 0.00 C ATOM 1845 CG GLU A 112 3.807 7.286 12.002 1.00 0.00 C ATOM 1846 CD GLU A 112 2.819 6.689 12.980 1.00 0.00 C ATOM 1847 OE1 GLU A 112 3.150 6.590 14.181 1.00 0.00 O ATOM 1848 OE2 GLU A 112 1.711 6.308 12.558 1.00 0.00 O ATOM 0 H GLU A 112 2.817 8.851 10.040 1.00 0.00 H new ATOM 0 HA GLU A 112 1.940 9.253 12.660 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.742 9.133 11.469 1.00 0.00 H new ATOM 0 HB3 GLU A 112 4.382 8.977 13.177 1.00 0.00 H new ATOM 0 HG2 GLU A 112 3.470 7.084 10.985 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.771 6.792 12.122 1.00 0.00 H new