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 60 ASN : amide:sc= 0.635 K(o=2.4,f=-2.9) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 166:sc= 1.81 (180deg=0.371!) USER MOD Set 2.1: A 37 ASN : amide:sc= 1.51 K(o=-1.7,f=-7.1!) USER MOD Set 2.2: A 77 HIS : no HE2:sc= -0.0964 K(o=-1.7,f=-6.5) USER MOD Set 2.3: A 81 HIS : no HE2:sc= 0.773! C(o=-1.7!,f=-16!) USER MOD Set 2.4: A 100 HIS : no HE2:sc= -3.9 K(o=-1.7,f=-17!) USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 1.11 (180deg=1.11) USER MOD Single : A 12 GLN : amide:sc= -0.0772 K(o=-0.077,f=-1.1) USER MOD Single : A 13 GLN : amide:sc= -0.0309 X(o=-0.031,f=-0.11) USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= -0.0729 (180deg=-0.413) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0477) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 1.51 (180deg=1.39) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.686 K(o=-0.69,f=-1.8) USER MOD Single : A 38 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.71) USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.07) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= -0.0182 (180deg=-0.183) USER MOD Single : A 46 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 49 LYS NZ :NH3+ -112:sc= 0.419 (180deg=-0.539!) USER MOD Single : A 51 TYR OH : rot 150:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 1.09 (180deg=0.671) USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.116) USER MOD Single : A 65 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.062) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 1.01 (180deg=1.01) USER MOD Single : A 76 LYS NZ :NH3+ -151:sc= 1.3 (180deg=1.23) USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= 1.21 (180deg=1.02) USER MOD Single : A 92 GLN : amide:sc= -0.517 K(o=-0.52,f=-1.3!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.0376 X(o=-0.038,f=-0.051) USER MOD Single : A 102 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.53) USER MOD Single : A 105 GLN : amide:sc= -0.864 K(o=-0.86,f=-5.4!) USER MOD Single : A 107 HIS : no HE2:sc= 0.522 K(o=0.52,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 6 -9.139 3.460 9.670 1.00 0.00 N ATOM 91 CA GLU A 6 -9.338 2.313 8.786 1.00 0.00 C ATOM 92 C GLU A 6 -8.316 2.339 7.658 1.00 0.00 C ATOM 93 O GLU A 6 -7.862 1.300 7.184 1.00 0.00 O ATOM 94 CB GLU A 6 -10.765 2.305 8.222 1.00 0.00 C ATOM 95 CG GLU A 6 -11.812 1.808 9.214 1.00 0.00 C ATOM 96 CD GLU A 6 -11.649 2.421 10.587 1.00 0.00 C ATOM 97 OE1 GLU A 6 -11.921 3.628 10.741 1.00 0.00 O ATOM 98 OE2 GLU A 6 -11.212 1.702 11.510 1.00 0.00 O ATOM 0 HA GLU A 6 -9.197 1.399 9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.027 3.315 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.792 1.675 7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.807 2.039 8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.745 0.723 9.294 1.00 0.00 H new ATOM 105 N LEU A 7 -7.949 3.538 7.247 1.00 0.00 N ATOM 106 CA LEU A 7 -6.936 3.724 6.235 1.00 0.00 C ATOM 107 C LEU A 7 -5.567 3.340 6.792 1.00 0.00 C ATOM 108 O LEU A 7 -4.776 2.675 6.126 1.00 0.00 O ATOM 109 CB LEU A 7 -6.939 5.181 5.763 1.00 0.00 C ATOM 110 CG LEU A 7 -8.108 5.587 4.853 1.00 0.00 C ATOM 111 CD1 LEU A 7 -9.426 5.582 5.614 1.00 0.00 C ATOM 112 CD2 LEU A 7 -7.852 6.956 4.238 1.00 0.00 C ATOM 0 H LEU A 7 -8.346 4.406 7.606 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.153 3.081 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.945 5.827 6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.007 5.373 5.232 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.182 4.852 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.234 5.873 4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.619 4.582 6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.370 6.287 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.690 7.229 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.746 7.697 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.937 6.924 3.647 1.00 0.00 H new ATOM 124 N LEU A 8 -5.316 3.751 8.030 1.00 0.00 N ATOM 125 CA LEU A 8 -4.065 3.451 8.716 1.00 0.00 C ATOM 126 C LEU A 8 -3.859 1.946 8.855 1.00 0.00 C ATOM 127 O LEU A 8 -2.802 1.421 8.503 1.00 0.00 O ATOM 128 CB LEU A 8 -4.070 4.100 10.100 1.00 0.00 C ATOM 129 CG LEU A 8 -2.778 3.950 10.900 1.00 0.00 C ATOM 130 CD1 LEU A 8 -1.605 4.560 10.148 1.00 0.00 C ATOM 131 CD2 LEU A 8 -2.933 4.590 12.269 1.00 0.00 C ATOM 0 H LEU A 8 -5.972 4.300 8.585 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.245 3.853 8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.283 5.162 9.983 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.888 3.672 10.680 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.574 2.888 11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.695 4.442 10.736 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.486 4.055 9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.793 5.620 9.979 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.006 4.477 12.831 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.159 5.650 12.152 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.745 4.103 12.808 1.00 0.00 H new ATOM 143 N LYS A 9 -4.873 1.260 9.374 1.00 0.00 N ATOM 144 CA LYS A 9 -4.791 -0.188 9.558 1.00 0.00 C ATOM 145 C LYS A 9 -4.610 -0.899 8.220 1.00 0.00 C ATOM 146 O LYS A 9 -3.901 -1.899 8.143 1.00 0.00 O ATOM 147 CB LYS A 9 -6.026 -0.743 10.288 1.00 0.00 C ATOM 148 CG LYS A 9 -7.346 -0.440 9.598 1.00 0.00 C ATOM 149 CD LYS A 9 -8.482 -1.310 10.120 1.00 0.00 C ATOM 150 CE LYS A 9 -8.692 -1.153 11.618 1.00 0.00 C ATOM 151 NZ LYS A 9 -9.057 0.237 11.999 1.00 0.00 N ATOM 0 H LYS A 9 -5.754 1.677 9.673 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.918 -0.381 10.181 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.920 -1.823 10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.053 -0.331 11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.598 0.610 9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.237 -0.594 8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.403 -1.052 9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.269 -2.355 9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.478 -1.834 11.945 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.781 -1.443 12.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.206 0.288 13.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.289 0.884 11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.932 0.513 11.509 1.00 0.00 H new ATOM 165 N ALA A 10 -5.241 -0.376 7.169 1.00 0.00 N ATOM 166 CA ALA A 10 -5.109 -0.953 5.835 1.00 0.00 C ATOM 167 C ALA A 10 -3.670 -0.850 5.343 1.00 0.00 C ATOM 168 O ALA A 10 -3.106 -1.817 4.827 1.00 0.00 O ATOM 169 CB ALA A 10 -6.048 -0.258 4.863 1.00 0.00 C ATOM 0 H ALA A 10 -5.846 0.444 7.217 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.379 -2.008 5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.938 -0.699 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.077 -0.379 5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.803 0.803 4.817 1.00 0.00 H new ATOM 175 N GLU A 11 -3.079 0.325 5.527 1.00 0.00 N ATOM 176 CA GLU A 11 -1.689 0.561 5.153 1.00 0.00 C ATOM 177 C GLU A 11 -0.758 -0.372 5.919 1.00 0.00 C ATOM 178 O GLU A 11 0.143 -0.988 5.344 1.00 0.00 O ATOM 179 CB GLU A 11 -1.314 2.019 5.421 1.00 0.00 C ATOM 180 CG GLU A 11 -1.976 2.996 4.468 1.00 0.00 C ATOM 181 CD GLU A 11 -1.350 2.974 3.094 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.354 1.945 2.425 1.00 0.00 O ATOM 183 OE2 GLU A 11 -0.809 3.997 2.656 1.00 0.00 O ATOM 0 H GLU A 11 -3.545 1.135 5.936 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.578 0.356 4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.591 2.276 6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.232 2.128 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.036 2.757 4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.908 4.003 4.879 1.00 0.00 H new ATOM 190 N GLN A 12 -0.992 -0.486 7.220 1.00 0.00 N ATOM 191 CA GLN A 12 -0.191 -1.356 8.067 1.00 0.00 C ATOM 192 C GLN A 12 -0.419 -2.822 7.710 1.00 0.00 C ATOM 193 O GLN A 12 0.481 -3.651 7.850 1.00 0.00 O ATOM 194 CB GLN A 12 -0.517 -1.111 9.540 1.00 0.00 C ATOM 195 CG GLN A 12 -0.089 0.260 10.034 1.00 0.00 C ATOM 196 CD GLN A 12 -0.174 0.388 11.542 1.00 0.00 C ATOM 197 OE1 GLN A 12 -0.008 -0.591 12.270 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.439 1.592 12.014 1.00 0.00 N ATOM 0 H GLN A 12 -1.732 0.015 7.711 1.00 0.00 H new ATOM 0 HA GLN A 12 0.860 -1.123 7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.591 -1.224 9.690 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.028 -1.875 10.144 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.934 0.455 9.714 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.718 1.021 9.572 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.569 2.374 11.372 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.514 1.740 13.020 1.00 0.00 H new ATOM 207 N GLN A 13 -1.624 -3.128 7.241 1.00 0.00 N ATOM 208 CA GLN A 13 -1.962 -4.478 6.813 1.00 0.00 C ATOM 209 C GLN A 13 -1.138 -4.857 5.594 1.00 0.00 C ATOM 210 O GLN A 13 -0.624 -5.973 5.500 1.00 0.00 O ATOM 211 CB GLN A 13 -3.454 -4.572 6.488 1.00 0.00 C ATOM 212 CG GLN A 13 -3.937 -5.978 6.162 1.00 0.00 C ATOM 213 CD GLN A 13 -3.692 -6.962 7.289 1.00 0.00 C ATOM 214 OE1 GLN A 13 -4.518 -7.112 8.189 1.00 0.00 O ATOM 215 NE2 GLN A 13 -2.557 -7.641 7.247 1.00 0.00 N ATOM 0 H GLN A 13 -2.385 -2.455 7.148 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.736 -5.171 7.623 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.023 -4.193 7.337 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.671 -3.921 5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.003 -5.948 5.938 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.433 -6.331 5.262 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.899 -7.487 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.341 -8.318 7.978 1.00 0.00 H new ATOM 224 N GLY A 14 -1.010 -3.915 4.672 1.00 0.00 N ATOM 225 CA GLY A 14 -0.189 -4.131 3.498 1.00 0.00 C ATOM 226 C GLY A 14 1.268 -4.320 3.857 1.00 0.00 C ATOM 227 O GLY A 14 1.925 -5.207 3.324 1.00 0.00 O ATOM 0 H GLY A 14 -1.462 -3.001 4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.548 -5.009 2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.290 -3.281 2.823 1.00 0.00 H new ATOM 231 N ILE A 15 1.767 -3.497 4.774 1.00 0.00 N ATOM 232 CA ILE A 15 3.137 -3.630 5.261 1.00 0.00 C ATOM 233 C ILE A 15 3.351 -5.009 5.883 1.00 0.00 C ATOM 234 O ILE A 15 4.386 -5.644 5.676 1.00 0.00 O ATOM 235 CB ILE A 15 3.476 -2.539 6.304 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.359 -1.147 5.675 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.873 -2.750 6.876 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.641 -0.016 6.637 1.00 0.00 C ATOM 0 H ILE A 15 1.243 -2.730 5.196 1.00 0.00 H new ATOM 0 HA ILE A 15 3.800 -3.508 4.405 1.00 0.00 H new ATOM 0 HB ILE A 15 2.760 -2.614 7.122 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.051 -1.079 4.836 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.354 -1.025 5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.088 -1.971 7.607 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.925 -3.725 7.360 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.606 -2.705 6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.538 0.937 6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.933 -0.057 7.464 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.656 -0.111 7.023 1.00 0.00 H new ATOM 250 N LYS A 16 2.352 -5.467 6.630 1.00 0.00 N ATOM 251 CA LYS A 16 2.375 -6.797 7.232 1.00 0.00 C ATOM 252 C LYS A 16 2.503 -7.850 6.137 1.00 0.00 C ATOM 253 O LYS A 16 3.335 -8.754 6.222 1.00 0.00 O ATOM 254 CB LYS A 16 1.091 -7.007 8.043 1.00 0.00 C ATOM 255 CG LYS A 16 1.131 -8.180 9.015 1.00 0.00 C ATOM 256 CD LYS A 16 0.847 -9.508 8.330 1.00 0.00 C ATOM 257 CE LYS A 16 0.678 -10.635 9.336 1.00 0.00 C ATOM 258 NZ LYS A 16 -0.492 -10.411 10.228 1.00 0.00 N ATOM 0 H LYS A 16 1.508 -4.931 6.835 1.00 0.00 H new ATOM 0 HA LYS A 16 3.231 -6.890 7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.880 -6.096 8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.262 -7.155 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.111 -8.221 9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.399 -8.018 9.806 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.057 -9.420 7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.663 -9.748 7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.555 -11.579 8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.582 -10.723 9.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.781 -11.314 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.232 -9.740 10.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.281 -10.022 9.674 1.00 0.00 H new ATOM 272 N ILE A 17 1.688 -7.703 5.101 1.00 0.00 N ATOM 273 CA ILE A 17 1.733 -8.593 3.944 1.00 0.00 C ATOM 274 C ILE A 17 3.090 -8.510 3.248 1.00 0.00 C ATOM 275 O ILE A 17 3.672 -9.529 2.901 1.00 0.00 O ATOM 276 CB ILE A 17 0.609 -8.259 2.931 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.764 -8.460 3.577 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.737 -9.120 1.678 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.923 -8.055 2.690 1.00 0.00 C ATOM 0 H ILE A 17 0.982 -6.970 5.037 1.00 0.00 H new ATOM 0 HA ILE A 17 1.580 -9.608 4.310 1.00 0.00 H new ATOM 0 HB ILE A 17 0.710 -7.214 2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.877 -9.509 3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.808 -7.884 4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.062 -8.869 0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.702 -8.935 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.663 -10.173 1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.862 -8.227 3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.836 -6.998 2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.906 -8.648 1.776 1.00 0.00 H new ATOM 291 N LEU A 18 3.597 -7.295 3.067 1.00 0.00 N ATOM 292 CA LEU A 18 4.890 -7.091 2.418 1.00 0.00 C ATOM 293 C LEU A 18 6.002 -7.822 3.168 1.00 0.00 C ATOM 294 O LEU A 18 6.847 -8.478 2.557 1.00 0.00 O ATOM 295 CB LEU A 18 5.207 -5.597 2.319 1.00 0.00 C ATOM 296 CG LEU A 18 4.273 -4.799 1.402 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.569 -3.312 1.495 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.401 -5.275 -0.038 1.00 0.00 C ATOM 0 H LEU A 18 3.133 -6.435 3.360 1.00 0.00 H new ATOM 0 HA LEU A 18 4.832 -7.505 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.167 -5.165 3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.230 -5.480 1.962 1.00 0.00 H new ATOM 0 HG LEU A 18 3.248 -4.967 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.895 -2.765 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.425 -2.976 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.600 -3.127 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.730 -4.697 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.428 -5.139 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.136 -6.331 -0.097 1.00 0.00 H new ATOM 310 N LYS A 19 5.989 -7.716 4.492 1.00 0.00 N ATOM 311 CA LYS A 19 6.939 -8.419 5.331 1.00 0.00 C ATOM 312 C LYS A 19 6.758 -9.928 5.203 1.00 0.00 C ATOM 313 O LYS A 19 7.730 -10.685 5.169 1.00 0.00 O ATOM 314 CB LYS A 19 6.755 -7.982 6.775 1.00 0.00 C ATOM 315 CG LYS A 19 7.315 -6.599 7.063 1.00 0.00 C ATOM 316 CD LYS A 19 8.619 -6.661 7.850 1.00 0.00 C ATOM 317 CE LYS A 19 9.725 -7.374 7.086 1.00 0.00 C ATOM 318 NZ LYS A 19 11.019 -7.344 7.822 1.00 0.00 N ATOM 0 H LYS A 19 5.321 -7.142 5.007 1.00 0.00 H new ATOM 0 HA LYS A 19 7.950 -8.174 5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.692 -7.993 7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.239 -8.706 7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.484 -6.074 6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.581 -6.021 7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.943 -5.649 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.445 -7.174 8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.433 -8.409 6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.852 -6.905 6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.745 -7.840 7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.311 -6.357 7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.906 -7.814 8.743 1.00 0.00 H new ATOM 332 N GLU A 20 5.502 -10.345 5.117 1.00 0.00 N ATOM 333 CA GLU A 20 5.143 -11.735 4.943 1.00 0.00 C ATOM 334 C GLU A 20 5.677 -12.279 3.619 1.00 0.00 C ATOM 335 O GLU A 20 6.264 -13.362 3.567 1.00 0.00 O ATOM 336 CB GLU A 20 3.621 -11.840 4.994 1.00 0.00 C ATOM 337 CG GLU A 20 3.072 -12.215 6.358 1.00 0.00 C ATOM 338 CD GLU A 20 3.577 -13.556 6.841 1.00 0.00 C ATOM 339 OE1 GLU A 20 2.973 -14.588 6.485 1.00 0.00 O ATOM 340 OE2 GLU A 20 4.580 -13.586 7.588 1.00 0.00 O ATOM 0 H GLU A 20 4.700 -9.717 5.167 1.00 0.00 H new ATOM 0 HA GLU A 20 5.588 -12.333 5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.191 -10.885 4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.294 -12.582 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.347 -11.446 7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.983 -12.236 6.314 1.00 0.00 H new ATOM 347 N VAL A 21 5.478 -11.513 2.554 1.00 0.00 N ATOM 348 CA VAL A 21 5.933 -11.902 1.224 1.00 0.00 C ATOM 349 C VAL A 21 7.455 -11.954 1.163 1.00 0.00 C ATOM 350 O VAL A 21 8.022 -12.850 0.546 1.00 0.00 O ATOM 351 CB VAL A 21 5.413 -10.934 0.137 1.00 0.00 C ATOM 352 CG1 VAL A 21 5.830 -11.399 -1.249 1.00 0.00 C ATOM 353 CG2 VAL A 21 3.904 -10.795 0.215 1.00 0.00 C ATOM 0 H VAL A 21 5.001 -10.612 2.586 1.00 0.00 H new ATOM 0 HA VAL A 21 5.528 -12.895 1.029 1.00 0.00 H new ATOM 0 HB VAL A 21 5.859 -9.956 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.452 -10.701 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.918 -11.439 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.420 -12.391 -1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.561 -10.109 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.441 -11.770 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.625 -10.406 1.194 1.00 0.00 H new ATOM 363 N LEU A 22 8.109 -10.995 1.808 1.00 0.00 N ATOM 364 CA LEU A 22 9.569 -10.942 1.828 1.00 0.00 C ATOM 365 C LEU A 22 10.139 -12.202 2.482 1.00 0.00 C ATOM 366 O LEU A 22 11.159 -12.737 2.047 1.00 0.00 O ATOM 367 CB LEU A 22 10.044 -9.693 2.574 1.00 0.00 C ATOM 368 CG LEU A 22 11.540 -9.397 2.465 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.931 -9.148 1.014 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.910 -8.199 3.326 1.00 0.00 C ATOM 0 H LEU A 22 7.653 -10.243 2.324 1.00 0.00 H new ATOM 0 HA LEU A 22 9.930 -10.892 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.492 -8.832 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.787 -9.800 3.628 1.00 0.00 H new ATOM 0 HG LEU A 22 12.089 -10.266 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.999 -8.939 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.701 -10.032 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.373 -8.295 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.978 -8.003 3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.351 -7.325 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.666 -8.410 4.367 1.00 0.00 H new ATOM 382 N LYS A 23 9.462 -12.669 3.525 1.00 0.00 N ATOM 383 CA LYS A 23 9.837 -13.907 4.198 1.00 0.00 C ATOM 384 C LYS A 23 9.594 -15.087 3.273 1.00 0.00 C ATOM 385 O LYS A 23 10.463 -15.932 3.069 1.00 0.00 O ATOM 386 CB LYS A 23 9.003 -14.076 5.473 1.00 0.00 C ATOM 387 CG LYS A 23 9.473 -15.191 6.409 1.00 0.00 C ATOM 388 CD LYS A 23 8.978 -16.558 5.953 1.00 0.00 C ATOM 389 CE LYS A 23 9.375 -17.662 6.923 1.00 0.00 C ATOM 390 NZ LYS A 23 10.848 -17.845 6.994 1.00 0.00 N ATOM 0 H LYS A 23 8.646 -12.206 3.925 1.00 0.00 H new ATOM 0 HA LYS A 23 10.894 -13.865 4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.010 -13.134 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.969 -14.272 5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.562 -15.195 6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.115 -14.993 7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.893 -16.536 5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.384 -16.780 4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.992 -17.426 7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.909 -18.598 6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.067 -18.671 7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.226 -17.996 6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.284 -16.996 7.408 1.00 0.00 H new ATOM 404 N LYS A 24 8.398 -15.126 2.728 1.00 0.00 N ATOM 405 CA LYS A 24 7.977 -16.217 1.855 1.00 0.00 C ATOM 406 C LYS A 24 8.773 -16.272 0.551 1.00 0.00 C ATOM 407 O LYS A 24 8.853 -17.322 -0.090 1.00 0.00 O ATOM 408 CB LYS A 24 6.481 -16.135 1.585 1.00 0.00 C ATOM 409 CG LYS A 24 5.665 -16.654 2.755 1.00 0.00 C ATOM 410 CD LYS A 24 4.183 -16.720 2.443 1.00 0.00 C ATOM 411 CE LYS A 24 3.485 -17.706 3.360 1.00 0.00 C ATOM 412 NZ LYS A 24 3.951 -19.100 3.114 1.00 0.00 N ATOM 0 H LYS A 24 7.687 -14.409 2.872 1.00 0.00 H new ATOM 0 HA LYS A 24 8.188 -17.148 2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.205 -15.100 1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.241 -16.711 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.020 -17.647 3.030 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.823 -16.009 3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.738 -15.732 2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.038 -17.017 1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.674 -17.436 4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.407 -17.648 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.443 -19.752 3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.764 -19.359 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.972 -19.163 3.301 1.00 0.00 H new ATOM 426 N ALA A 25 9.358 -15.150 0.158 1.00 0.00 N ATOM 427 CA ALA A 25 10.270 -15.130 -0.977 1.00 0.00 C ATOM 428 C ALA A 25 11.478 -16.016 -0.687 1.00 0.00 C ATOM 429 O ALA A 25 12.069 -16.602 -1.591 1.00 0.00 O ATOM 430 CB ALA A 25 10.711 -13.704 -1.286 1.00 0.00 C ATOM 0 H ALA A 25 9.218 -14.244 0.606 1.00 0.00 H new ATOM 0 HA ALA A 25 9.751 -15.520 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.392 -13.710 -2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.838 -13.097 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.219 -13.284 -0.418 1.00 0.00 H new ATOM 436 N LYS A 26 11.827 -16.110 0.592 1.00 0.00 N ATOM 437 CA LYS A 26 12.923 -16.958 1.040 1.00 0.00 C ATOM 438 C LYS A 26 12.523 -18.429 1.047 1.00 0.00 C ATOM 439 O LYS A 26 13.379 -19.308 0.922 1.00 0.00 O ATOM 440 CB LYS A 26 13.396 -16.532 2.429 1.00 0.00 C ATOM 441 CG LYS A 26 14.273 -15.292 2.413 1.00 0.00 C ATOM 442 CD LYS A 26 15.608 -15.586 1.750 1.00 0.00 C ATOM 443 CE LYS A 26 16.454 -14.336 1.589 1.00 0.00 C ATOM 444 NZ LYS A 26 17.812 -14.668 1.083 1.00 0.00 N ATOM 0 H LYS A 26 11.360 -15.602 1.343 1.00 0.00 H new ATOM 0 HA LYS A 26 13.745 -16.837 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.527 -16.345 3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.949 -17.353 2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.765 -14.489 1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.437 -14.943 3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.154 -16.318 2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.435 -16.035 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.964 -13.648 0.900 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.535 -13.823 2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.368 -13.795 0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.286 -15.305 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.733 -15.136 0.158 1.00 0.00 H new ATOM 458 N GLU A 27 11.229 -18.695 1.234 1.00 0.00 N ATOM 459 CA GLU A 27 10.719 -20.064 1.227 1.00 0.00 C ATOM 460 C GLU A 27 10.958 -20.700 -0.143 1.00 0.00 C ATOM 461 O GLU A 27 11.315 -21.874 -0.238 1.00 0.00 O ATOM 462 CB GLU A 27 9.231 -20.097 1.597 1.00 0.00 C ATOM 463 CG GLU A 27 8.924 -19.449 2.942 1.00 0.00 C ATOM 464 CD GLU A 27 7.527 -19.763 3.451 1.00 0.00 C ATOM 465 OE1 GLU A 27 6.562 -19.689 2.659 1.00 0.00 O ATOM 466 OE2 GLU A 27 7.388 -20.079 4.650 1.00 0.00 O ATOM 0 H GLU A 27 10.518 -17.981 1.392 1.00 0.00 H new ATOM 0 HA GLU A 27 11.257 -20.642 1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.660 -19.589 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.892 -21.133 1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.656 -19.786 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.037 -18.369 2.852 1.00 0.00 H new ATOM 473 N GLY A 28 10.765 -19.913 -1.199 1.00 0.00 N ATOM 474 CA GLY A 28 11.185 -20.334 -2.523 1.00 0.00 C ATOM 475 C GLY A 28 10.077 -20.916 -3.381 1.00 0.00 C ATOM 476 O GLY A 28 10.353 -21.671 -4.314 1.00 0.00 O ATOM 0 H GLY A 28 10.326 -18.993 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.617 -19.479 -3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.976 -21.077 -2.420 1.00 0.00 H new ATOM 480 N ASP A 29 8.829 -20.574 -3.090 1.00 0.00 N ATOM 481 CA ASP A 29 7.716 -21.053 -3.911 1.00 0.00 C ATOM 482 C ASP A 29 7.237 -19.952 -4.850 1.00 0.00 C ATOM 483 O ASP A 29 6.836 -18.873 -4.410 1.00 0.00 O ATOM 484 CB ASP A 29 6.561 -21.550 -3.039 1.00 0.00 C ATOM 485 CG ASP A 29 5.493 -22.271 -3.843 1.00 0.00 C ATOM 486 OD1 ASP A 29 4.681 -21.600 -4.511 1.00 0.00 O ATOM 487 OD2 ASP A 29 5.456 -23.522 -3.807 1.00 0.00 O ATOM 0 H ASP A 29 8.561 -19.978 -2.307 1.00 0.00 H new ATOM 0 HA ASP A 29 8.073 -21.893 -4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.951 -22.222 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.111 -20.703 -2.521 1.00 0.00 H new ATOM 492 N GLU A 30 7.288 -20.232 -6.145 1.00 0.00 N ATOM 493 CA GLU A 30 6.942 -19.245 -7.168 1.00 0.00 C ATOM 494 C GLU A 30 5.444 -18.956 -7.182 1.00 0.00 C ATOM 495 O GLU A 30 5.023 -17.815 -7.387 1.00 0.00 O ATOM 496 CB GLU A 30 7.388 -19.730 -8.548 1.00 0.00 C ATOM 497 CG GLU A 30 8.894 -19.876 -8.683 1.00 0.00 C ATOM 498 CD GLU A 30 9.297 -20.536 -9.984 1.00 0.00 C ATOM 499 OE1 GLU A 30 9.362 -21.781 -10.020 1.00 0.00 O ATOM 500 OE2 GLU A 30 9.547 -19.819 -10.976 1.00 0.00 O ATOM 0 H GLU A 30 7.567 -21.140 -6.517 1.00 0.00 H new ATOM 0 HA GLU A 30 7.465 -18.320 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.918 -20.691 -8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.030 -19.030 -9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.359 -18.892 -8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.275 -20.463 -7.848 1.00 0.00 H new ATOM 507 N GLN A 31 4.641 -19.984 -6.951 1.00 0.00 N ATOM 508 CA GLN A 31 3.194 -19.830 -6.964 1.00 0.00 C ATOM 509 C GLN A 31 2.739 -19.034 -5.751 1.00 0.00 C ATOM 510 O GLN A 31 1.768 -18.277 -5.816 1.00 0.00 O ATOM 511 CB GLN A 31 2.497 -21.189 -6.991 1.00 0.00 C ATOM 512 CG GLN A 31 2.671 -21.951 -8.295 1.00 0.00 C ATOM 513 CD GLN A 31 4.010 -22.656 -8.395 1.00 0.00 C ATOM 514 OE1 GLN A 31 4.991 -22.102 -8.895 1.00 0.00 O ATOM 515 NE2 GLN A 31 4.059 -23.887 -7.913 1.00 0.00 N ATOM 0 H GLN A 31 4.965 -20.931 -6.753 1.00 0.00 H new ATOM 0 HA GLN A 31 2.920 -19.288 -7.869 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.881 -21.798 -6.173 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.433 -21.043 -6.807 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.872 -22.686 -8.389 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.568 -21.259 -9.131 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.224 -24.309 -7.507 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.932 -24.414 -7.947 1.00 0.00 H new ATOM 524 N GLU A 32 3.448 -19.215 -4.648 1.00 0.00 N ATOM 525 CA GLU A 32 3.205 -18.444 -3.439 1.00 0.00 C ATOM 526 C GLU A 32 3.390 -16.959 -3.727 1.00 0.00 C ATOM 527 O GLU A 32 2.567 -16.136 -3.339 1.00 0.00 O ATOM 528 CB GLU A 32 4.165 -18.887 -2.328 1.00 0.00 C ATOM 529 CG GLU A 32 3.944 -18.184 -0.997 1.00 0.00 C ATOM 530 CD GLU A 32 2.648 -18.592 -0.329 1.00 0.00 C ATOM 531 OE1 GLU A 32 1.574 -18.122 -0.756 1.00 0.00 O ATOM 532 OE2 GLU A 32 2.693 -19.388 0.630 1.00 0.00 O ATOM 0 H GLU A 32 4.203 -19.896 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 32 2.181 -18.618 -3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.061 -19.962 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.189 -18.708 -2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.777 -18.406 -0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.942 -17.106 -1.156 1.00 0.00 H new ATOM 539 N LEU A 33 4.462 -16.631 -4.441 1.00 0.00 N ATOM 540 CA LEU A 33 4.751 -15.248 -4.804 1.00 0.00 C ATOM 541 C LEU A 33 3.612 -14.649 -5.625 1.00 0.00 C ATOM 542 O LEU A 33 3.188 -13.523 -5.379 1.00 0.00 O ATOM 543 CB LEU A 33 6.060 -15.165 -5.592 1.00 0.00 C ATOM 544 CG LEU A 33 7.311 -15.613 -4.833 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.541 -15.504 -5.724 1.00 0.00 C ATOM 546 CD2 LEU A 33 7.495 -14.782 -3.572 1.00 0.00 C ATOM 0 H LEU A 33 5.147 -17.306 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 33 4.853 -14.674 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.963 -15.774 -6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.203 -14.135 -5.919 1.00 0.00 H new ATOM 0 HG LEU A 33 7.184 -16.656 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.422 -15.826 -5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.412 -16.138 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.670 -14.469 -6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.389 -15.114 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.602 -13.731 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.626 -14.905 -2.925 1.00 0.00 H new ATOM 558 N ALA A 34 3.109 -15.414 -6.586 1.00 0.00 N ATOM 559 CA ALA A 34 2.011 -14.957 -7.432 1.00 0.00 C ATOM 560 C ALA A 34 0.739 -14.749 -6.615 1.00 0.00 C ATOM 561 O ALA A 34 0.019 -13.763 -6.800 1.00 0.00 O ATOM 562 CB ALA A 34 1.765 -15.948 -8.559 1.00 0.00 C ATOM 0 H ALA A 34 3.443 -16.354 -6.800 1.00 0.00 H new ATOM 0 HA ALA A 34 2.293 -13.997 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.943 -15.594 -9.182 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.666 -16.041 -9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.509 -16.921 -8.139 1.00 0.00 H new ATOM 568 N ARG A 35 0.480 -15.680 -5.702 1.00 0.00 N ATOM 569 CA ARG A 35 -0.685 -15.613 -4.825 1.00 0.00 C ATOM 570 C ARG A 35 -0.570 -14.425 -3.876 1.00 0.00 C ATOM 571 O ARG A 35 -1.537 -13.697 -3.640 1.00 0.00 O ATOM 572 CB ARG A 35 -0.797 -16.916 -4.032 1.00 0.00 C ATOM 573 CG ARG A 35 -1.983 -16.978 -3.082 1.00 0.00 C ATOM 574 CD ARG A 35 -2.173 -18.380 -2.522 1.00 0.00 C ATOM 575 NE ARG A 35 -0.935 -18.924 -1.957 1.00 0.00 N ATOM 576 CZ ARG A 35 -0.613 -20.220 -1.965 1.00 0.00 C ATOM 577 NH1 ARG A 35 -1.438 -21.119 -2.486 1.00 0.00 N ATOM 578 NH2 ARG A 35 0.536 -20.619 -1.443 1.00 0.00 N ATOM 0 H ARG A 35 1.069 -16.499 -5.549 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.582 -15.480 -5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.866 -17.748 -4.733 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.119 -17.057 -3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.832 -16.275 -2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.887 -16.668 -3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.944 -18.360 -1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.530 -19.040 -3.313 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.277 -18.271 -1.531 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.328 -20.823 -2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.182 -22.106 -2.487 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.175 -19.937 -1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.782 -21.609 -1.449 1.00 0.00 H new ATOM 592 N LEU A 36 0.626 -14.239 -3.343 1.00 0.00 N ATOM 593 CA LEU A 36 0.913 -13.124 -2.448 1.00 0.00 C ATOM 594 C LEU A 36 0.824 -11.792 -3.183 1.00 0.00 C ATOM 595 O LEU A 36 0.341 -10.806 -2.633 1.00 0.00 O ATOM 596 CB LEU A 36 2.303 -13.281 -1.838 1.00 0.00 C ATOM 597 CG LEU A 36 2.442 -14.397 -0.805 1.00 0.00 C ATOM 598 CD1 LEU A 36 3.894 -14.558 -0.399 1.00 0.00 C ATOM 599 CD2 LEU A 36 1.580 -14.104 0.411 1.00 0.00 C ATOM 0 H LEU A 36 1.423 -14.851 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 36 0.166 -13.132 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.016 -13.462 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.584 -12.338 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 36 2.100 -15.330 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.979 -15.357 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.491 -14.808 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.256 -13.625 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.690 -14.909 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.894 -13.163 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.536 -14.030 0.107 1.00 0.00 H new ATOM 611 N ASN A 37 1.295 -11.770 -4.423 1.00 0.00 N ATOM 612 CA ASN A 37 1.258 -10.557 -5.233 1.00 0.00 C ATOM 613 C ASN A 37 -0.183 -10.099 -5.419 1.00 0.00 C ATOM 614 O ASN A 37 -0.486 -8.911 -5.320 1.00 0.00 O ATOM 615 CB ASN A 37 1.913 -10.790 -6.594 1.00 0.00 C ATOM 616 CG ASN A 37 2.199 -9.491 -7.323 1.00 0.00 C ATOM 617 OD1 ASN A 37 2.499 -8.474 -6.702 1.00 0.00 O ATOM 618 ND2 ASN A 37 2.104 -9.510 -8.639 1.00 0.00 N ATOM 0 H ASN A 37 1.707 -12.577 -4.891 1.00 0.00 H new ATOM 0 HA ASN A 37 1.818 -9.780 -4.713 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.844 -11.341 -6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.261 -11.413 -7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.282 -8.661 -9.175 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.852 -10.374 -9.120 1.00 0.00 H new ATOM 625 N GLN A 38 -1.070 -11.059 -5.666 1.00 0.00 N ATOM 626 CA GLN A 38 -2.482 -10.787 -5.801 1.00 0.00 C ATOM 627 C GLN A 38 -3.056 -10.248 -4.497 1.00 0.00 C ATOM 628 O GLN A 38 -3.914 -9.365 -4.505 1.00 0.00 O ATOM 629 CB GLN A 38 -3.196 -12.069 -6.209 1.00 0.00 C ATOM 630 CG GLN A 38 -3.388 -12.215 -7.709 1.00 0.00 C ATOM 631 CD GLN A 38 -4.312 -11.159 -8.285 1.00 0.00 C ATOM 632 OE1 GLN A 38 -3.875 -10.083 -8.689 1.00 0.00 O ATOM 633 NE2 GLN A 38 -5.598 -11.466 -8.327 1.00 0.00 N ATOM 0 H GLN A 38 -0.822 -12.042 -5.777 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.631 -10.027 -6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.628 -12.923 -5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.171 -12.101 -5.723 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.419 -12.153 -8.203 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.793 -13.204 -7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.918 -12.371 -7.981 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.270 -10.798 -8.705 1.00 0.00 H new ATOM 642 N GLU A 39 -2.562 -10.773 -3.381 1.00 0.00 N ATOM 643 CA GLU A 39 -2.995 -10.333 -2.060 1.00 0.00 C ATOM 644 C GLU A 39 -2.668 -8.852 -1.876 1.00 0.00 C ATOM 645 O GLU A 39 -3.470 -8.082 -1.345 1.00 0.00 O ATOM 646 CB GLU A 39 -2.295 -11.162 -0.980 1.00 0.00 C ATOM 647 CG GLU A 39 -3.009 -11.158 0.362 1.00 0.00 C ATOM 648 CD GLU A 39 -4.293 -11.958 0.329 1.00 0.00 C ATOM 649 OE1 GLU A 39 -4.216 -13.206 0.303 1.00 0.00 O ATOM 650 OE2 GLU A 39 -5.380 -11.350 0.325 1.00 0.00 O ATOM 0 H GLU A 39 -1.856 -11.509 -3.366 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.072 -10.473 -1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.204 -12.191 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.283 -10.781 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.347 -11.568 1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.230 -10.131 0.651 1.00 0.00 H new ATOM 657 N ILE A 40 -1.481 -8.464 -2.336 1.00 0.00 N ATOM 658 CA ILE A 40 -1.041 -7.075 -2.271 1.00 0.00 C ATOM 659 C ILE A 40 -1.949 -6.186 -3.117 1.00 0.00 C ATOM 660 O ILE A 40 -2.400 -5.134 -2.663 1.00 0.00 O ATOM 661 CB ILE A 40 0.418 -6.923 -2.759 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.350 -7.823 -1.939 1.00 0.00 C ATOM 663 CG2 ILE A 40 0.866 -5.468 -2.677 1.00 0.00 C ATOM 664 CD1 ILE A 40 2.785 -7.816 -2.418 1.00 0.00 C ATOM 0 H ILE A 40 -0.804 -9.098 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.095 -6.765 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 40 0.467 -7.234 -3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.323 -7.504 -0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.972 -8.845 -1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.895 -5.384 -3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.220 -4.853 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.803 -5.126 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.382 -8.476 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.826 -8.164 -3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.183 -6.803 -2.361 1.00 0.00 H new ATOM 676 N VAL A 41 -2.225 -6.629 -4.343 1.00 0.00 N ATOM 677 CA VAL A 41 -3.091 -5.888 -5.255 1.00 0.00 C ATOM 678 C VAL A 41 -4.466 -5.658 -4.636 1.00 0.00 C ATOM 679 O VAL A 41 -5.022 -4.566 -4.736 1.00 0.00 O ATOM 680 CB VAL A 41 -3.253 -6.622 -6.607 1.00 0.00 C ATOM 681 CG1 VAL A 41 -4.189 -5.861 -7.537 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.900 -6.817 -7.269 1.00 0.00 C ATOM 0 H VAL A 41 -1.859 -7.500 -4.727 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.613 -4.925 -5.436 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.693 -7.599 -6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.284 -6.401 -8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.170 -5.770 -7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.784 -4.867 -7.727 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.031 -7.335 -8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.438 -5.846 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.258 -7.411 -6.618 1.00 0.00 H new ATOM 692 N LYS A 42 -4.999 -6.687 -3.985 1.00 0.00 N ATOM 693 CA LYS A 42 -6.301 -6.595 -3.322 1.00 0.00 C ATOM 694 C LYS A 42 -6.314 -5.473 -2.285 1.00 0.00 C ATOM 695 O LYS A 42 -7.243 -4.664 -2.242 1.00 0.00 O ATOM 696 CB LYS A 42 -6.635 -7.917 -2.633 1.00 0.00 C ATOM 697 CG LYS A 42 -6.827 -9.084 -3.588 1.00 0.00 C ATOM 698 CD LYS A 42 -6.773 -10.412 -2.853 1.00 0.00 C ATOM 699 CE LYS A 42 -7.870 -10.525 -1.804 1.00 0.00 C ATOM 700 NZ LYS A 42 -7.669 -11.707 -0.925 1.00 0.00 N ATOM 0 H LYS A 42 -4.550 -7.599 -3.901 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.048 -6.376 -4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.836 -8.162 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.544 -7.789 -2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.786 -8.986 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.054 -9.059 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.870 -11.228 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.800 -10.523 -2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.889 -9.619 -1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.839 -10.599 -2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.515 -11.850 -0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.507 -12.551 -1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.844 -11.547 -0.312 1.00 0.00 H new ATOM 714 N ALA A 43 -5.267 -5.418 -1.464 1.00 0.00 N ATOM 715 CA ALA A 43 -5.181 -4.428 -0.395 1.00 0.00 C ATOM 716 C ALA A 43 -5.024 -3.023 -0.963 1.00 0.00 C ATOM 717 O ALA A 43 -5.731 -2.100 -0.558 1.00 0.00 O ATOM 718 CB ALA A 43 -4.030 -4.760 0.544 1.00 0.00 C ATOM 0 H ALA A 43 -4.467 -6.048 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.111 -4.458 0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.979 -4.012 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.192 -5.744 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.094 -4.761 -0.014 1.00 0.00 H new ATOM 724 N GLU A 44 -4.112 -2.877 -1.915 1.00 0.00 N ATOM 725 CA GLU A 44 -3.851 -1.585 -2.542 1.00 0.00 C ATOM 726 C GLU A 44 -5.091 -1.071 -3.266 1.00 0.00 C ATOM 727 O GLU A 44 -5.457 0.098 -3.134 1.00 0.00 O ATOM 728 CB GLU A 44 -2.684 -1.699 -3.522 1.00 0.00 C ATOM 729 CG GLU A 44 -1.352 -1.997 -2.856 1.00 0.00 C ATOM 730 CD GLU A 44 -0.830 -0.833 -2.038 1.00 0.00 C ATOM 731 OE1 GLU A 44 -1.213 -0.690 -0.871 1.00 0.00 O ATOM 732 OE2 GLU A 44 -0.005 -0.049 -2.563 1.00 0.00 O ATOM 0 H GLU A 44 -3.537 -3.640 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.590 -0.874 -1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.903 -2.486 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.599 -0.768 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.461 -2.869 -2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.619 -2.256 -3.620 1.00 0.00 H new ATOM 739 N LYS A 45 -5.743 -1.953 -4.019 1.00 0.00 N ATOM 740 CA LYS A 45 -6.943 -1.593 -4.767 1.00 0.00 C ATOM 741 C LYS A 45 -8.029 -1.122 -3.806 1.00 0.00 C ATOM 742 O LYS A 45 -8.669 -0.092 -4.025 1.00 0.00 O ATOM 743 CB LYS A 45 -7.423 -2.800 -5.592 1.00 0.00 C ATOM 744 CG LYS A 45 -8.385 -2.466 -6.728 1.00 0.00 C ATOM 745 CD LYS A 45 -9.787 -2.153 -6.228 1.00 0.00 C ATOM 746 CE LYS A 45 -10.738 -1.884 -7.381 1.00 0.00 C ATOM 747 NZ LYS A 45 -10.955 -3.093 -8.223 1.00 0.00 N ATOM 0 H LYS A 45 -5.458 -2.926 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.715 -0.777 -5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.552 -3.304 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.909 -3.509 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.002 -1.611 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.429 -3.305 -7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.159 -2.989 -5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.755 -1.284 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.695 -1.540 -6.988 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.339 -1.079 -7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.765 -2.935 -8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.104 -3.278 -8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.148 -3.912 -7.612 1.00 0.00 H new ATOM 761 N GLN A 46 -8.216 -1.877 -2.729 1.00 0.00 N ATOM 762 CA GLN A 46 -9.187 -1.521 -1.706 1.00 0.00 C ATOM 763 C GLN A 46 -8.826 -0.182 -1.082 1.00 0.00 C ATOM 764 O GLN A 46 -9.694 0.667 -0.860 1.00 0.00 O ATOM 765 CB GLN A 46 -9.234 -2.598 -0.622 1.00 0.00 C ATOM 766 CG GLN A 46 -10.333 -2.386 0.414 1.00 0.00 C ATOM 767 CD GLN A 46 -11.719 -2.289 -0.200 1.00 0.00 C ATOM 768 OE1 GLN A 46 -12.403 -3.296 -0.384 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.145 -1.079 -0.520 1.00 0.00 N ATOM 0 H GLN A 46 -7.706 -2.741 -2.543 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.169 -1.444 -2.173 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.377 -3.570 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.270 -2.630 -0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.315 -3.210 1.128 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.125 -1.474 0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.550 -0.268 -0.353 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.069 -0.957 -0.934 1.00 0.00 H new ATOM 778 N GLY A 47 -7.541 -0.006 -0.805 1.00 0.00 N ATOM 779 CA GLY A 47 -7.055 1.232 -0.226 1.00 0.00 C ATOM 780 C GLY A 47 -7.363 2.436 -1.093 1.00 0.00 C ATOM 781 O GLY A 47 -7.850 3.451 -0.595 1.00 0.00 O ATOM 0 H GLY A 47 -6.819 -0.707 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.505 1.371 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.978 1.162 -0.077 1.00 0.00 H new ATOM 785 N VAL A 48 -7.109 2.316 -2.394 1.00 0.00 N ATOM 786 CA VAL A 48 -7.391 3.398 -3.334 1.00 0.00 C ATOM 787 C VAL A 48 -8.868 3.793 -3.283 1.00 0.00 C ATOM 788 O VAL A 48 -9.205 4.977 -3.268 1.00 0.00 O ATOM 789 CB VAL A 48 -7.015 3.007 -4.782 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.393 4.109 -5.762 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.531 2.700 -4.894 1.00 0.00 C ATOM 0 H VAL A 48 -6.709 1.481 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.779 4.248 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.578 2.109 -5.036 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.117 3.808 -6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.468 4.284 -5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.865 5.026 -5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.292 2.428 -5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.955 3.580 -4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.280 1.872 -4.232 1.00 0.00 H new ATOM 801 N LYS A 49 -9.740 2.793 -3.233 1.00 0.00 N ATOM 802 CA LYS A 49 -11.178 3.034 -3.158 1.00 0.00 C ATOM 803 C LYS A 49 -11.529 3.815 -1.892 1.00 0.00 C ATOM 804 O LYS A 49 -12.312 4.765 -1.934 1.00 0.00 O ATOM 805 CB LYS A 49 -11.936 1.702 -3.177 1.00 0.00 C ATOM 806 CG LYS A 49 -13.032 1.603 -4.230 1.00 0.00 C ATOM 807 CD LYS A 49 -14.187 2.556 -3.967 1.00 0.00 C ATOM 808 CE LYS A 49 -13.982 3.908 -4.639 1.00 0.00 C ATOM 809 NZ LYS A 49 -15.135 4.819 -4.412 1.00 0.00 N ATOM 0 H LYS A 49 -9.478 1.807 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.473 3.626 -4.024 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.221 0.896 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.380 1.539 -2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.608 1.815 -5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.410 0.581 -4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.114 2.110 -4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.300 2.700 -2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.073 4.370 -4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.839 3.763 -5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.634 4.978 -5.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.787 4.389 -3.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.791 5.728 -4.042 1.00 0.00 H new ATOM 823 N VAL A 50 -10.931 3.421 -0.772 1.00 0.00 N ATOM 824 CA VAL A 50 -11.201 4.065 0.507 1.00 0.00 C ATOM 825 C VAL A 50 -10.608 5.477 0.543 1.00 0.00 C ATOM 826 O VAL A 50 -11.229 6.407 1.058 1.00 0.00 O ATOM 827 CB VAL A 50 -10.646 3.238 1.688 1.00 0.00 C ATOM 828 CG1 VAL A 50 -11.003 3.889 3.015 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.177 1.812 1.641 1.00 0.00 C ATOM 0 H VAL A 50 -10.256 2.658 -0.725 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.284 4.130 0.611 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.560 3.207 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.603 3.290 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.576 4.891 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.087 3.953 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.774 1.246 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.265 1.827 1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.872 1.341 0.707 1.00 0.00 H new ATOM 839 N TYR A 51 -9.411 5.636 -0.013 1.00 0.00 N ATOM 840 CA TYR A 51 -8.786 6.951 -0.109 1.00 0.00 C ATOM 841 C TYR A 51 -9.591 7.868 -1.025 1.00 0.00 C ATOM 842 O TYR A 51 -9.651 9.076 -0.806 1.00 0.00 O ATOM 843 CB TYR A 51 -7.335 6.847 -0.587 1.00 0.00 C ATOM 844 CG TYR A 51 -6.340 6.594 0.525 1.00 0.00 C ATOM 845 CD1 TYR A 51 -5.764 7.654 1.217 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.971 5.303 0.884 1.00 0.00 C ATOM 847 CE1 TYR A 51 -4.854 7.434 2.232 1.00 0.00 C ATOM 848 CE2 TYR A 51 -5.060 5.075 1.900 1.00 0.00 C ATOM 849 CZ TYR A 51 -4.506 6.144 2.570 1.00 0.00 C ATOM 850 OH TYR A 51 -3.603 5.924 3.583 1.00 0.00 O ATOM 0 H TYR A 51 -8.856 4.874 -0.403 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.776 7.386 0.891 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.260 6.042 -1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.065 7.770 -1.100 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.033 8.667 0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.403 4.463 0.361 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.417 8.269 2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.785 4.065 2.166 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.803 5.070 4.019 1.00 0.00 H new ATOM 860 N LYS A 52 -10.200 7.288 -2.057 1.00 0.00 N ATOM 861 CA LYS A 52 -11.106 8.026 -2.931 1.00 0.00 C ATOM 862 C LYS A 52 -12.255 8.597 -2.096 1.00 0.00 C ATOM 863 O LYS A 52 -12.608 9.772 -2.219 1.00 0.00 O ATOM 864 CB LYS A 52 -11.646 7.096 -4.028 1.00 0.00 C ATOM 865 CG LYS A 52 -11.935 7.776 -5.365 1.00 0.00 C ATOM 866 CD LYS A 52 -13.033 8.823 -5.264 1.00 0.00 C ATOM 867 CE LYS A 52 -13.485 9.289 -6.638 1.00 0.00 C ATOM 868 NZ LYS A 52 -14.488 10.383 -6.551 1.00 0.00 N ATOM 0 H LYS A 52 -10.081 6.307 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.571 8.846 -3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.925 6.296 -4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.563 6.629 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.023 8.246 -5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.224 7.022 -6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.883 8.410 -4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.672 9.676 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.621 9.633 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.912 8.448 -7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.991 10.466 -7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.169 10.170 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.006 11.280 -6.340 1.00 0.00 H new ATOM 882 N GLU A 53 -12.809 7.756 -1.221 1.00 0.00 N ATOM 883 CA GLU A 53 -13.858 8.172 -0.298 1.00 0.00 C ATOM 884 C GLU A 53 -13.354 9.252 0.659 1.00 0.00 C ATOM 885 O GLU A 53 -14.085 10.181 1.004 1.00 0.00 O ATOM 886 CB GLU A 53 -14.365 6.967 0.500 1.00 0.00 C ATOM 887 CG GLU A 53 -15.670 6.379 -0.020 1.00 0.00 C ATOM 888 CD GLU A 53 -15.576 5.860 -1.438 1.00 0.00 C ATOM 889 OE1 GLU A 53 -15.540 6.680 -2.376 1.00 0.00 O ATOM 890 OE2 GLU A 53 -15.569 4.627 -1.627 1.00 0.00 O ATOM 0 H GLU A 53 -12.543 6.775 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.677 8.589 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.600 6.191 0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.502 7.265 1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.980 5.566 0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.448 7.141 0.029 1.00 0.00 H new ATOM 897 N ALA A 54 -12.104 9.118 1.083 1.00 0.00 N ATOM 898 CA ALA A 54 -11.487 10.075 1.990 1.00 0.00 C ATOM 899 C ALA A 54 -11.230 11.410 1.298 1.00 0.00 C ATOM 900 O ALA A 54 -11.304 12.465 1.929 1.00 0.00 O ATOM 901 CB ALA A 54 -10.190 9.514 2.555 1.00 0.00 C ATOM 0 H ALA A 54 -11.493 8.348 0.810 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.182 10.251 2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.742 10.243 3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.399 8.594 3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.499 9.303 1.739 1.00 0.00 H new ATOM 907 N ALA A 55 -10.913 11.354 0.011 1.00 0.00 N ATOM 908 CA ALA A 55 -10.675 12.553 -0.786 1.00 0.00 C ATOM 909 C ALA A 55 -11.952 13.365 -0.948 1.00 0.00 C ATOM 910 O ALA A 55 -11.920 14.594 -0.956 1.00 0.00 O ATOM 911 CB ALA A 55 -10.099 12.185 -2.146 1.00 0.00 C ATOM 0 H ALA A 55 -10.814 10.482 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.948 13.170 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.928 13.092 -2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.155 11.658 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.801 11.542 -2.676 1.00 0.00 H new ATOM 917 N GLU A 56 -13.080 12.679 -1.066 1.00 0.00 N ATOM 918 CA GLU A 56 -14.369 13.355 -1.155 1.00 0.00 C ATOM 919 C GLU A 56 -14.836 13.788 0.232 1.00 0.00 C ATOM 920 O GLU A 56 -15.849 14.472 0.380 1.00 0.00 O ATOM 921 CB GLU A 56 -15.405 12.456 -1.827 1.00 0.00 C ATOM 922 CG GLU A 56 -15.128 12.239 -3.305 1.00 0.00 C ATOM 923 CD GLU A 56 -16.162 11.368 -3.984 1.00 0.00 C ATOM 924 OE1 GLU A 56 -17.271 11.862 -4.268 1.00 0.00 O ATOM 925 OE2 GLU A 56 -15.869 10.187 -4.252 1.00 0.00 O ATOM 0 H GLU A 56 -13.131 11.661 -1.102 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.253 14.247 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.425 11.491 -1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.394 12.898 -1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.091 13.206 -3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.145 11.782 -3.421 1.00 0.00 H new ATOM 932 N LYS A 57 -14.080 13.375 1.241 1.00 0.00 N ATOM 933 CA LYS A 57 -14.284 13.819 2.613 1.00 0.00 C ATOM 934 C LYS A 57 -13.151 14.746 3.035 1.00 0.00 C ATOM 935 O LYS A 57 -12.815 14.833 4.215 1.00 0.00 O ATOM 936 CB LYS A 57 -14.345 12.628 3.567 1.00 0.00 C ATOM 937 CG LYS A 57 -15.734 12.036 3.742 1.00 0.00 C ATOM 938 CD LYS A 57 -15.706 10.868 4.716 1.00 0.00 C ATOM 939 CE LYS A 57 -17.102 10.370 5.059 1.00 0.00 C ATOM 940 NZ LYS A 57 -17.872 11.360 5.861 1.00 0.00 N ATOM 0 H LYS A 57 -13.306 12.720 1.130 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.232 14.354 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.675 11.850 3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.970 12.939 4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.417 12.803 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.116 11.702 2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.127 10.052 4.284 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.196 11.172 5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.644 10.151 4.139 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.026 9.435 5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.728 10.908 6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.283 11.704 6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.144 12.161 5.256 1.00 0.00 H new ATOM 954 N ALA A 58 -12.538 15.410 2.065 1.00 0.00 N ATOM 955 CA ALA A 58 -11.455 16.344 2.346 1.00 0.00 C ATOM 956 C ALA A 58 -11.984 17.633 2.967 1.00 0.00 C ATOM 957 O ALA A 58 -12.359 18.569 2.258 1.00 0.00 O ATOM 958 CB ALA A 58 -10.656 16.649 1.086 1.00 0.00 C ATOM 0 H ALA A 58 -12.772 15.320 1.076 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.790 15.868 3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.854 17.348 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.228 15.726 0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.313 17.091 0.337 1.00 0.00 H new ATOM 964 N ARG A 59 -12.033 17.662 4.293 1.00 0.00 N ATOM 965 CA ARG A 59 -12.457 18.844 5.040 1.00 0.00 C ATOM 966 C ARG A 59 -11.359 19.908 5.022 1.00 0.00 C ATOM 967 O ARG A 59 -11.576 21.056 5.405 1.00 0.00 O ATOM 968 CB ARG A 59 -12.762 18.440 6.480 1.00 0.00 C ATOM 969 CG ARG A 59 -14.112 18.894 7.003 1.00 0.00 C ATOM 970 CD ARG A 59 -14.376 18.282 8.367 1.00 0.00 C ATOM 971 NE ARG A 59 -15.676 18.664 8.914 1.00 0.00 N ATOM 972 CZ ARG A 59 -16.266 18.019 9.915 1.00 0.00 C ATOM 973 NH1 ARG A 59 -15.738 16.898 10.385 1.00 0.00 N ATOM 974 NH2 ARG A 59 -17.404 18.471 10.427 1.00 0.00 N ATOM 0 H ARG A 59 -11.781 16.869 4.882 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.350 19.261 4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.707 17.354 6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.984 18.845 7.127 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.137 19.981 7.073 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.898 18.601 6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.324 17.196 8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.591 18.591 9.057 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.155 19.467 8.507 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.878 16.530 9.978 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.191 16.404 11.153 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.831 19.318 10.052 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.852 17.971 11.195 1.00 0.00 H new ATOM 988 N ASN A 60 -10.177 19.501 4.580 1.00 0.00 N ATOM 989 CA ASN A 60 -9.021 20.381 4.523 1.00 0.00 C ATOM 990 C ASN A 60 -8.379 20.309 3.142 1.00 0.00 C ATOM 991 O ASN A 60 -8.030 19.223 2.678 1.00 0.00 O ATOM 992 CB ASN A 60 -7.995 19.979 5.580 1.00 0.00 C ATOM 993 CG ASN A 60 -8.393 20.363 6.993 1.00 0.00 C ATOM 994 OD1 ASN A 60 -8.036 21.437 7.480 1.00 0.00 O ATOM 995 ND2 ASN A 60 -9.116 19.484 7.669 1.00 0.00 N ATOM 0 H ASN A 60 -9.994 18.553 4.252 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.353 21.401 4.717 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.844 18.901 5.535 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.039 20.445 5.342 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.397 19.685 8.629 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.392 18.605 7.230 1.00 0.00 H new ATOM 1002 N PRO A 61 -8.216 21.457 2.472 1.00 0.00 N ATOM 1003 CA PRO A 61 -7.671 21.513 1.108 1.00 0.00 C ATOM 1004 C PRO A 61 -6.188 21.138 1.014 1.00 0.00 C ATOM 1005 O PRO A 61 -5.794 20.410 0.102 1.00 0.00 O ATOM 1006 CB PRO A 61 -7.885 22.972 0.695 1.00 0.00 C ATOM 1007 CG PRO A 61 -7.967 23.732 1.975 1.00 0.00 C ATOM 1008 CD PRO A 61 -8.576 22.794 2.981 1.00 0.00 C ATOM 0 HA PRO A 61 -8.166 20.788 0.462 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.063 23.331 0.076 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.798 23.086 0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.979 24.060 2.297 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.578 24.627 1.858 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.176 22.963 3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.657 22.921 3.045 1.00 0.00 H new ATOM 1016 N GLU A 62 -5.367 21.618 1.946 1.00 0.00 N ATOM 1017 CA GLU A 62 -3.934 21.375 1.884 1.00 0.00 C ATOM 1018 C GLU A 62 -3.639 19.919 2.167 1.00 0.00 C ATOM 1019 O GLU A 62 -2.863 19.267 1.471 1.00 0.00 O ATOM 1020 CB GLU A 62 -3.216 22.211 2.928 1.00 0.00 C ATOM 1021 CG GLU A 62 -3.942 23.474 3.347 1.00 0.00 C ATOM 1022 CD GLU A 62 -4.740 23.251 4.607 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -5.818 22.635 4.528 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -4.260 23.645 5.693 1.00 0.00 O ATOM 0 H GLU A 62 -5.670 22.173 2.746 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.589 21.642 0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.049 21.596 3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.235 22.485 2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.221 24.275 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.606 23.798 2.545 1.00 0.00 H new ATOM 1031 N LYS A 63 -4.285 19.427 3.202 1.00 0.00 N ATOM 1032 CA LYS A 63 -4.160 18.035 3.612 1.00 0.00 C ATOM 1033 C LYS A 63 -4.685 17.094 2.529 1.00 0.00 C ATOM 1034 O LYS A 63 -4.323 15.918 2.496 1.00 0.00 O ATOM 1035 CB LYS A 63 -4.899 17.776 4.932 1.00 0.00 C ATOM 1036 CG LYS A 63 -4.354 18.545 6.138 1.00 0.00 C ATOM 1037 CD LYS A 63 -4.802 20.000 6.137 1.00 0.00 C ATOM 1038 CE LYS A 63 -4.534 20.684 7.467 1.00 0.00 C ATOM 1039 NZ LYS A 63 -5.203 22.014 7.548 1.00 0.00 N ATOM 0 H LYS A 63 -4.914 19.977 3.787 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.099 17.836 3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.950 18.034 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.858 16.709 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.689 18.063 7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.265 18.501 6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.284 20.537 5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.868 20.050 5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.886 20.049 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.460 20.808 7.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.201 22.344 8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.691 22.697 6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.184 21.930 7.213 1.00 0.00 H new ATOM 1053 N ARG A 64 -5.537 17.607 1.641 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.047 16.804 0.537 1.00 0.00 C ATOM 1055 C ARG A 64 -4.915 16.435 -0.414 1.00 0.00 C ATOM 1056 O ARG A 64 -4.883 15.329 -0.943 1.00 0.00 O ATOM 1057 CB ARG A 64 -7.139 17.537 -0.244 1.00 0.00 C ATOM 1058 CG ARG A 64 -7.622 16.735 -1.443 1.00 0.00 C ATOM 1059 CD ARG A 64 -8.407 17.571 -2.434 1.00 0.00 C ATOM 1060 NE ARG A 64 -8.364 16.957 -3.760 1.00 0.00 N ATOM 1061 CZ ARG A 64 -9.318 17.065 -4.682 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -10.420 17.761 -4.442 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -9.169 16.467 -5.854 1.00 0.00 N ATOM 0 H ARG A 64 -5.884 18.566 1.666 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.481 15.902 0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.981 17.742 0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.757 18.500 -0.583 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.763 16.293 -1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.246 15.911 -1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.441 17.665 -2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.994 18.579 -2.478 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.540 16.404 -3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.546 18.223 -3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.143 17.835 -5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.326 15.926 -6.047 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.897 16.547 -6.564 1.00 0.00 H new ATOM 1077 N GLN A 65 -3.992 17.369 -0.623 1.00 0.00 N ATOM 1078 CA GLN A 65 -2.834 17.132 -1.489 1.00 0.00 C ATOM 1079 C GLN A 65 -2.048 15.911 -1.016 1.00 0.00 C ATOM 1080 O GLN A 65 -1.525 15.145 -1.826 1.00 0.00 O ATOM 1081 CB GLN A 65 -1.918 18.362 -1.513 1.00 0.00 C ATOM 1082 CG GLN A 65 -1.638 18.905 -2.909 1.00 0.00 C ATOM 1083 CD GLN A 65 -0.983 17.889 -3.824 1.00 0.00 C ATOM 1084 OE1 GLN A 65 0.242 17.772 -3.870 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -1.793 17.165 -4.580 1.00 0.00 N ATOM 0 H GLN A 65 -4.021 18.299 -0.205 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.201 16.945 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.372 19.151 -0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.971 18.105 -1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.574 19.238 -3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.994 19.781 -2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.803 17.292 -4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.407 16.480 -5.230 1.00 0.00 H new ATOM 1094 N VAL A 66 -1.970 15.740 0.301 1.00 0.00 N ATOM 1095 CA VAL A 66 -1.323 14.568 0.884 1.00 0.00 C ATOM 1096 C VAL A 66 -2.056 13.299 0.456 1.00 0.00 C ATOM 1097 O VAL A 66 -1.439 12.318 0.036 1.00 0.00 O ATOM 1098 CB VAL A 66 -1.290 14.652 2.426 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -0.573 13.444 3.020 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -0.627 15.947 2.877 1.00 0.00 C ATOM 0 H VAL A 66 -2.346 16.397 0.984 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.296 14.539 0.521 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.318 14.648 2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.562 13.525 4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.095 12.532 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.451 13.410 2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.613 15.988 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.395 15.983 2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.188 16.797 2.489 1.00 0.00 H new ATOM 1110 N ILE A 67 -3.382 13.344 0.544 1.00 0.00 N ATOM 1111 CA ILE A 67 -4.229 12.229 0.133 1.00 0.00 C ATOM 1112 C ILE A 67 -4.079 11.974 -1.365 1.00 0.00 C ATOM 1113 O ILE A 67 -3.921 10.833 -1.796 1.00 0.00 O ATOM 1114 CB ILE A 67 -5.718 12.499 0.450 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -5.894 12.855 1.928 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -6.565 11.288 0.088 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -7.298 13.298 2.282 1.00 0.00 C ATOM 0 H ILE A 67 -3.897 14.149 0.900 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.906 11.352 0.695 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.052 13.346 -0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.631 11.989 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.195 13.650 2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.611 11.494 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.461 11.077 -0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.231 10.425 0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.348 13.534 3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.558 14.183 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.001 12.496 2.055 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.124 13.051 -2.144 1.00 0.00 N ATOM 1130 CA ASP A 68 -3.964 12.973 -3.593 1.00 0.00 C ATOM 1131 C ASP A 68 -2.629 12.340 -3.963 1.00 0.00 C ATOM 1132 O ASP A 68 -2.553 11.546 -4.903 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.065 14.372 -4.222 1.00 0.00 C ATOM 1134 CG ASP A 68 -5.481 14.757 -4.616 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -6.052 14.108 -5.520 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -6.024 15.723 -4.042 1.00 0.00 O ATOM 0 H ASP A 68 -4.271 13.997 -1.792 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.766 12.346 -3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.680 15.108 -3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.427 14.412 -5.105 1.00 0.00 H new ATOM 1141 N LYS A 69 -1.572 12.690 -3.230 1.00 0.00 N ATOM 1142 CA LYS A 69 -0.266 12.081 -3.468 1.00 0.00 C ATOM 1143 C LYS A 69 -0.319 10.582 -3.188 1.00 0.00 C ATOM 1144 O LYS A 69 0.123 9.782 -4.010 1.00 0.00 O ATOM 1145 CB LYS A 69 0.815 12.715 -2.592 1.00 0.00 C ATOM 1146 CG LYS A 69 2.191 12.113 -2.837 1.00 0.00 C ATOM 1147 CD LYS A 69 3.200 12.540 -1.785 1.00 0.00 C ATOM 1148 CE LYS A 69 4.574 11.944 -2.062 1.00 0.00 C ATOM 1149 NZ LYS A 69 4.579 10.456 -1.988 1.00 0.00 N ATOM 0 H LYS A 69 -1.593 13.380 -2.479 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.013 12.253 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.852 13.787 -2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.548 12.589 -1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.114 11.026 -2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.547 12.414 -3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.270 13.628 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.857 12.225 -0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.908 12.256 -3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.290 12.342 -1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.537 10.102 -2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.287 10.155 -1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.917 10.071 -2.692 1.00 0.00 H new ATOM 1163 N ILE A 70 -0.904 10.210 -2.050 1.00 0.00 N ATOM 1164 CA ILE A 70 -1.008 8.806 -1.667 1.00 0.00 C ATOM 1165 C ILE A 70 -1.850 8.052 -2.687 1.00 0.00 C ATOM 1166 O ILE A 70 -1.537 6.924 -3.061 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.629 8.640 -0.262 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.767 9.344 0.790 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -1.785 7.164 0.084 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -1.354 9.309 2.187 1.00 0.00 C ATOM 0 H ILE A 70 -1.312 10.861 -1.379 1.00 0.00 H new ATOM 0 HA ILE A 70 0.001 8.395 -1.641 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.617 9.100 -0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.219 8.879 0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.624 10.383 0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.224 7.067 1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.435 6.685 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.807 6.682 0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.686 9.828 2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.327 9.801 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.471 8.274 2.506 1.00 0.00 H new ATOM 1182 N LEU A 71 -2.912 8.701 -3.144 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.776 8.149 -4.169 1.00 0.00 C ATOM 1184 C LEU A 71 -2.994 7.829 -5.438 1.00 0.00 C ATOM 1185 O LEU A 71 -3.196 6.778 -6.047 1.00 0.00 O ATOM 1186 CB LEU A 71 -4.911 9.134 -4.460 1.00 0.00 C ATOM 1187 CG LEU A 71 -6.179 8.912 -3.637 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.166 10.046 -3.853 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -6.815 7.580 -4.001 1.00 0.00 C ATOM 0 H LEU A 71 -3.195 9.623 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.199 7.212 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.550 10.146 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.166 9.071 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.906 8.894 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.061 9.867 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.710 10.988 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.436 10.097 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.718 7.434 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.072 7.577 -5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.112 6.773 -3.796 1.00 0.00 H new ATOM 1201 N GLU A 72 -2.102 8.731 -5.832 1.00 0.00 N ATOM 1202 CA GLU A 72 -1.257 8.493 -6.995 1.00 0.00 C ATOM 1203 C GLU A 72 -0.251 7.388 -6.704 1.00 0.00 C ATOM 1204 O GLU A 72 -0.043 6.492 -7.522 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.499 9.759 -7.389 1.00 0.00 C ATOM 1206 CG GLU A 72 0.182 9.643 -8.745 1.00 0.00 C ATOM 1207 CD GLU A 72 1.210 10.724 -8.987 1.00 0.00 C ATOM 1208 OE1 GLU A 72 0.886 11.914 -8.804 1.00 0.00 O ATOM 1209 OE2 GLU A 72 2.350 10.390 -9.377 1.00 0.00 O ATOM 0 H GLU A 72 -1.946 9.626 -5.368 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.906 8.193 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.192 10.601 -7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.251 9.979 -6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.664 8.668 -8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.574 9.687 -9.529 1.00 0.00 H new ATOM 1216 N ASP A 73 0.367 7.467 -5.527 1.00 0.00 N ATOM 1217 CA ASP A 73 1.388 6.505 -5.116 1.00 0.00 C ATOM 1218 C ASP A 73 0.842 5.084 -5.107 1.00 0.00 C ATOM 1219 O ASP A 73 1.430 4.192 -5.715 1.00 0.00 O ATOM 1220 CB ASP A 73 1.953 6.843 -3.732 1.00 0.00 C ATOM 1221 CG ASP A 73 2.916 8.016 -3.750 1.00 0.00 C ATOM 1222 OD1 ASP A 73 3.898 7.978 -4.523 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.714 8.972 -2.972 1.00 0.00 O ATOM 0 H ASP A 73 0.176 8.193 -4.836 1.00 0.00 H new ATOM 0 HA ASP A 73 2.192 6.569 -5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.129 7.068 -3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.464 5.968 -3.332 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.287 4.874 -4.442 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.853 3.535 -4.330 1.00 0.00 C ATOM 1230 C GLU A 74 -1.257 3.000 -5.702 1.00 0.00 C ATOM 1231 O GLU A 74 -1.062 1.821 -5.989 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.048 3.519 -3.372 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.730 4.026 -1.971 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.714 3.177 -1.218 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -0.001 2.355 -1.848 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.603 3.338 0.021 1.00 0.00 O ATOM 0 H GLU A 74 -0.825 5.605 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.083 2.881 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.847 4.129 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.429 2.500 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.353 5.046 -2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.653 4.067 -1.393 1.00 0.00 H new ATOM 1243 N GLU A 75 -1.790 3.877 -6.552 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.148 3.522 -7.902 1.00 0.00 C ATOM 1245 C GLU A 75 -0.910 3.052 -8.661 1.00 0.00 C ATOM 1246 O GLU A 75 -0.935 2.057 -9.391 1.00 0.00 O ATOM 1247 CB GLU A 75 -2.716 4.765 -8.563 1.00 0.00 C ATOM 1248 CG GLU A 75 -3.561 4.484 -9.769 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.903 3.900 -9.399 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -5.753 4.659 -8.881 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.086 2.680 -9.561 1.00 0.00 O ATOM 0 H GLU A 75 -1.981 4.850 -6.313 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.879 2.714 -7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.314 5.311 -7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.893 5.418 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.710 5.407 -10.330 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.034 3.793 -10.427 1.00 0.00 H new ATOM 1258 N LYS A 76 0.179 3.779 -8.453 1.00 0.00 N ATOM 1259 CA LYS A 76 1.454 3.497 -9.090 1.00 0.00 C ATOM 1260 C LYS A 76 2.025 2.182 -8.567 1.00 0.00 C ATOM 1261 O LYS A 76 2.620 1.408 -9.317 1.00 0.00 O ATOM 1262 CB LYS A 76 2.413 4.654 -8.806 1.00 0.00 C ATOM 1263 CG LYS A 76 3.632 4.712 -9.711 1.00 0.00 C ATOM 1264 CD LYS A 76 4.415 5.996 -9.479 1.00 0.00 C ATOM 1265 CE LYS A 76 3.532 7.225 -9.670 1.00 0.00 C ATOM 1266 NZ LYS A 76 4.262 8.492 -9.395 1.00 0.00 N ATOM 0 H LYS A 76 0.201 4.588 -7.832 1.00 0.00 H new ATOM 0 HA LYS A 76 1.316 3.398 -10.167 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.865 5.592 -8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.750 4.582 -7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.273 3.851 -9.522 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.320 4.654 -10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.828 5.995 -8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.258 6.040 -10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.152 7.241 -10.691 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.668 7.155 -9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.592 9.212 -9.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.987 8.324 -8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.717 8.827 -10.268 1.00 0.00 H new ATOM 1280 N HIS A 77 1.829 1.939 -7.273 1.00 0.00 N ATOM 1281 CA HIS A 77 2.243 0.685 -6.650 1.00 0.00 C ATOM 1282 C HIS A 77 1.562 -0.493 -7.330 1.00 0.00 C ATOM 1283 O HIS A 77 2.214 -1.458 -7.726 1.00 0.00 O ATOM 1284 CB HIS A 77 1.902 0.679 -5.153 1.00 0.00 C ATOM 1285 CG HIS A 77 2.696 1.650 -4.334 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.433 1.849 -2.995 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.734 2.439 -4.703 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.323 2.748 -2.590 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.125 3.136 -3.590 1.00 0.00 N ATOM 0 H HIS A 77 1.384 2.597 -6.634 1.00 0.00 H new ATOM 0 HA HIS A 77 3.323 0.594 -6.765 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.842 0.903 -5.033 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.062 -0.325 -4.760 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.708 1.401 -2.434 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.171 2.506 -5.688 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.392 3.120 -1.579 1.00 0.00 H new ATOM 1297 N ILE A 78 0.242 -0.396 -7.481 1.00 0.00 N ATOM 1298 CA ILE A 78 -0.537 -1.435 -8.145 1.00 0.00 C ATOM 1299 C ILE A 78 -0.009 -1.668 -9.556 1.00 0.00 C ATOM 1300 O ILE A 78 0.144 -2.806 -9.994 1.00 0.00 O ATOM 1301 CB ILE A 78 -2.036 -1.068 -8.229 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -2.587 -0.716 -6.847 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -2.836 -2.217 -8.836 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -4.025 -0.244 -6.871 1.00 0.00 C ATOM 0 H ILE A 78 -0.310 0.395 -7.150 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.435 -2.341 -7.548 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.134 -0.194 -8.873 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.511 -1.591 -6.201 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.965 0.062 -6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.889 -1.940 -8.887 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.467 -2.427 -9.840 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.724 -3.106 -8.215 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.349 -0.012 -5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.104 0.649 -7.490 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.659 -1.029 -7.284 1.00 0.00 H new ATOM 1316 N GLU A 79 0.289 -0.572 -10.248 1.00 0.00 N ATOM 1317 CA GLU A 79 0.756 -0.609 -11.616 1.00 0.00 C ATOM 1318 C GLU A 79 2.017 -1.470 -11.755 1.00 0.00 C ATOM 1319 O GLU A 79 2.141 -2.248 -12.702 1.00 0.00 O ATOM 1320 CB GLU A 79 1.012 0.823 -12.073 1.00 0.00 C ATOM 1321 CG GLU A 79 1.209 0.964 -13.562 1.00 0.00 C ATOM 1322 CD GLU A 79 0.076 0.348 -14.359 1.00 0.00 C ATOM 1323 OE1 GLU A 79 -1.099 0.691 -14.105 1.00 0.00 O ATOM 1324 OE2 GLU A 79 0.357 -0.499 -15.230 1.00 0.00 O ATOM 0 H GLU A 79 0.210 0.370 -9.865 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.004 -1.068 -12.249 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.172 1.447 -11.767 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.896 1.205 -11.562 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.294 2.021 -13.815 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.149 0.491 -13.847 1.00 0.00 H new ATOM 1331 N TRP A 80 2.940 -1.339 -10.806 1.00 0.00 N ATOM 1332 CA TRP A 80 4.158 -2.147 -10.810 1.00 0.00 C ATOM 1333 C TRP A 80 3.831 -3.625 -10.620 1.00 0.00 C ATOM 1334 O TRP A 80 4.342 -4.488 -11.337 1.00 0.00 O ATOM 1335 CB TRP A 80 5.115 -1.703 -9.700 1.00 0.00 C ATOM 1336 CG TRP A 80 5.544 -0.272 -9.793 1.00 0.00 C ATOM 1337 CD1 TRP A 80 5.648 0.488 -10.921 1.00 0.00 C ATOM 1338 CD2 TRP A 80 5.946 0.569 -8.704 1.00 0.00 C ATOM 1339 NE1 TRP A 80 6.090 1.750 -10.603 1.00 0.00 N ATOM 1340 CE2 TRP A 80 6.278 1.825 -9.246 1.00 0.00 C ATOM 1341 CE3 TRP A 80 6.057 0.379 -7.324 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 6.714 2.886 -8.454 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 6.489 1.432 -6.539 1.00 0.00 C ATOM 1344 CH2 TRP A 80 6.810 2.672 -7.105 1.00 0.00 C ATOM 0 H TRP A 80 2.869 -0.684 -10.027 1.00 0.00 H new ATOM 0 HA TRP A 80 4.638 -2.004 -11.778 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.634 -1.864 -8.735 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.001 -2.338 -9.724 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.417 0.147 -11.919 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.252 2.507 -11.267 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.810 -0.573 -6.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.967 3.842 -8.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 6.580 1.296 -5.472 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.140 3.476 -6.464 1.00 0.00 H new ATOM 1355 N HIS A 81 2.956 -3.903 -9.666 1.00 0.00 N ATOM 1356 CA HIS A 81 2.614 -5.273 -9.296 1.00 0.00 C ATOM 1357 C HIS A 81 1.838 -5.994 -10.396 1.00 0.00 C ATOM 1358 O HIS A 81 1.913 -7.219 -10.507 1.00 0.00 O ATOM 1359 CB HIS A 81 1.858 -5.307 -7.967 1.00 0.00 C ATOM 1360 CG HIS A 81 2.754 -5.039 -6.792 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.433 -6.024 -6.109 1.00 0.00 N ATOM 1362 CD2 HIS A 81 3.127 -3.868 -6.219 1.00 0.00 C ATOM 1363 CE1 HIS A 81 4.184 -5.435 -5.168 1.00 0.00 C ATOM 1364 NE2 HIS A 81 4.035 -4.126 -5.193 1.00 0.00 N ATOM 0 H HIS A 81 2.463 -3.191 -9.127 1.00 0.00 H new ATOM 0 HA HIS A 81 3.551 -5.815 -9.168 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.059 -4.566 -7.988 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.386 -6.282 -7.846 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.374 -7.026 -6.288 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.776 -2.889 -6.511 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.827 -5.964 -4.480 1.00 0.00 H new ATOM 1372 N LYS A 82 1.099 -5.237 -11.204 1.00 0.00 N ATOM 1373 CA LYS A 82 0.343 -5.816 -12.316 1.00 0.00 C ATOM 1374 C LYS A 82 1.272 -6.585 -13.251 1.00 0.00 C ATOM 1375 O LYS A 82 1.023 -7.747 -13.574 1.00 0.00 O ATOM 1376 CB LYS A 82 -0.362 -4.718 -13.121 1.00 0.00 C ATOM 1377 CG LYS A 82 -1.364 -3.898 -12.330 1.00 0.00 C ATOM 1378 CD LYS A 82 -1.864 -2.720 -13.149 1.00 0.00 C ATOM 1379 CE LYS A 82 -2.763 -1.806 -12.334 1.00 0.00 C ATOM 1380 NZ LYS A 82 -3.200 -0.620 -13.113 1.00 0.00 N ATOM 0 H LYS A 82 1.007 -4.225 -11.112 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.399 -6.494 -11.894 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.392 -4.047 -13.533 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.875 -5.178 -13.966 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.205 -4.527 -12.038 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.901 -3.538 -11.411 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.013 -2.152 -13.525 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.411 -3.087 -14.017 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.638 -2.363 -11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.232 -1.478 -11.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.528 0.122 -12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.402 -0.260 -13.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.977 -0.890 -13.749 1.00 0.00 H new ATOM 1394 N ALA A 83 2.356 -5.935 -13.661 1.00 0.00 N ATOM 1395 CA ALA A 83 3.307 -6.533 -14.588 1.00 0.00 C ATOM 1396 C ALA A 83 4.114 -7.644 -13.920 1.00 0.00 C ATOM 1397 O ALA A 83 4.441 -8.650 -14.547 1.00 0.00 O ATOM 1398 CB ALA A 83 4.236 -5.465 -15.142 1.00 0.00 C ATOM 0 H ALA A 83 2.598 -4.990 -13.364 1.00 0.00 H new ATOM 0 HA ALA A 83 2.744 -6.979 -15.408 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.944 -5.922 -15.834 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.651 -4.710 -15.667 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.781 -4.996 -14.323 1.00 0.00 H new ATOM 1404 N ALA A 84 4.409 -7.451 -12.640 1.00 0.00 N ATOM 1405 CA ALA A 84 5.239 -8.377 -11.872 1.00 0.00 C ATOM 1406 C ALA A 84 4.641 -9.785 -11.804 1.00 0.00 C ATOM 1407 O ALA A 84 5.373 -10.766 -11.690 1.00 0.00 O ATOM 1408 CB ALA A 84 5.462 -7.839 -10.466 1.00 0.00 C ATOM 0 H ALA A 84 4.080 -6.648 -12.103 1.00 0.00 H new ATOM 0 HA ALA A 84 6.193 -8.456 -12.393 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.082 -8.537 -9.903 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.963 -6.873 -10.521 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.501 -7.721 -9.965 1.00 0.00 H new ATOM 1485 N ALA A 90 13.119 -14.033 -7.205 1.00 0.00 N ATOM 1486 CA ALA A 90 13.349 -13.461 -5.877 1.00 0.00 C ATOM 1487 C ALA A 90 14.208 -12.196 -5.917 1.00 0.00 C ATOM 1488 O ALA A 90 13.933 -11.235 -5.197 1.00 0.00 O ATOM 1489 CB ALA A 90 13.994 -14.500 -4.972 1.00 0.00 C ATOM 0 HA ALA A 90 12.376 -13.171 -5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.163 -14.069 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.335 -15.364 -4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.947 -14.813 -5.399 1.00 0.00 H new ATOM 1495 N GLU A 91 15.233 -12.195 -6.759 1.00 0.00 N ATOM 1496 CA GLU A 91 16.203 -11.105 -6.795 1.00 0.00 C ATOM 1497 C GLU A 91 15.553 -9.770 -7.159 1.00 0.00 C ATOM 1498 O GLU A 91 15.749 -8.770 -6.467 1.00 0.00 O ATOM 1499 CB GLU A 91 17.310 -11.444 -7.794 1.00 0.00 C ATOM 1500 CG GLU A 91 18.392 -12.364 -7.240 1.00 0.00 C ATOM 1501 CD GLU A 91 17.839 -13.586 -6.532 1.00 0.00 C ATOM 1502 OE1 GLU A 91 17.230 -14.447 -7.205 1.00 0.00 O ATOM 1503 OE2 GLU A 91 18.014 -13.690 -5.299 1.00 0.00 O ATOM 0 H GLU A 91 15.416 -12.941 -7.430 1.00 0.00 H new ATOM 0 HA GLU A 91 16.625 -10.995 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.862 -11.914 -8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 91 17.775 -10.518 -8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 91 19.037 -12.687 -8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 91 19.016 -11.802 -6.545 1.00 0.00 H new ATOM 1510 N GLN A 92 14.779 -9.761 -8.234 1.00 0.00 N ATOM 1511 CA GLN A 92 14.098 -8.546 -8.674 1.00 0.00 C ATOM 1512 C GLN A 92 12.920 -8.206 -7.760 1.00 0.00 C ATOM 1513 O GLN A 92 12.588 -7.036 -7.559 1.00 0.00 O ATOM 1514 CB GLN A 92 13.633 -8.701 -10.131 1.00 0.00 C ATOM 1515 CG GLN A 92 12.699 -9.881 -10.362 1.00 0.00 C ATOM 1516 CD GLN A 92 11.232 -9.524 -10.193 1.00 0.00 C ATOM 1517 OE1 GLN A 92 10.809 -8.413 -10.504 1.00 0.00 O ATOM 1518 NE2 GLN A 92 10.460 -10.450 -9.649 1.00 0.00 N ATOM 0 H GLN A 92 14.605 -10.578 -8.819 1.00 0.00 H new ATOM 0 HA GLN A 92 14.805 -7.718 -8.617 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.128 -7.786 -10.440 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.508 -8.813 -10.771 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.858 -10.271 -11.367 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.954 -10.680 -9.666 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.850 -11.360 -9.405 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.475 -10.254 -9.473 1.00 0.00 H new ATOM 1527 N PHE A 93 12.309 -9.237 -7.193 1.00 0.00 N ATOM 1528 CA PHE A 93 11.078 -9.085 -6.431 1.00 0.00 C ATOM 1529 C PHE A 93 11.356 -8.414 -5.093 1.00 0.00 C ATOM 1530 O PHE A 93 10.567 -7.595 -4.623 1.00 0.00 O ATOM 1531 CB PHE A 93 10.416 -10.451 -6.223 1.00 0.00 C ATOM 1532 CG PHE A 93 8.952 -10.371 -5.911 1.00 0.00 C ATOM 1533 CD1 PHE A 93 8.041 -10.006 -6.892 1.00 0.00 C ATOM 1534 CD2 PHE A 93 8.482 -10.665 -4.645 1.00 0.00 C ATOM 1535 CE1 PHE A 93 6.691 -9.932 -6.610 1.00 0.00 C ATOM 1536 CE2 PHE A 93 7.135 -10.593 -4.357 1.00 0.00 C ATOM 1537 CZ PHE A 93 6.238 -10.226 -5.340 1.00 0.00 C ATOM 0 H PHE A 93 12.650 -10.197 -7.248 1.00 0.00 H new ATOM 0 HA PHE A 93 10.395 -8.449 -6.994 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.554 -11.052 -7.122 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.924 -10.971 -5.410 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.392 -9.777 -7.888 1.00 0.00 H new ATOM 0 HD2 PHE A 93 9.178 -10.955 -3.872 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.992 -9.645 -7.381 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.782 -10.824 -3.363 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.183 -10.169 -5.115 1.00 0.00 H new ATOM 1547 N ALA A 94 12.492 -8.761 -4.497 1.00 0.00 N ATOM 1548 CA ALA A 94 12.906 -8.180 -3.225 1.00 0.00 C ATOM 1549 C ALA A 94 13.024 -6.662 -3.328 1.00 0.00 C ATOM 1550 O ALA A 94 12.682 -5.937 -2.392 1.00 0.00 O ATOM 1551 CB ALA A 94 14.230 -8.781 -2.776 1.00 0.00 C ATOM 0 H ALA A 94 13.146 -9.446 -4.877 1.00 0.00 H new ATOM 0 HA ALA A 94 12.142 -8.412 -2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.527 -8.338 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 94 14.118 -9.858 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 94 14.995 -8.577 -3.526 1.00 0.00 H new ATOM 1557 N SER A 95 13.499 -6.190 -4.474 1.00 0.00 N ATOM 1558 CA SER A 95 13.637 -4.770 -4.720 1.00 0.00 C ATOM 1559 C SER A 95 12.263 -4.103 -4.819 1.00 0.00 C ATOM 1560 O SER A 95 12.046 -3.019 -4.273 1.00 0.00 O ATOM 1561 CB SER A 95 14.433 -4.561 -6.005 1.00 0.00 C ATOM 1562 OG SER A 95 15.708 -5.175 -5.911 1.00 0.00 O ATOM 0 H SER A 95 13.796 -6.781 -5.251 1.00 0.00 H new ATOM 0 HA SER A 95 14.169 -4.309 -3.888 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.885 -4.978 -6.850 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.551 -3.494 -6.196 1.00 0.00 H new ATOM 0 HG SER A 95 16.202 -5.032 -6.745 1.00 0.00 H new ATOM 1568 N LEU A 96 11.335 -4.773 -5.497 1.00 0.00 N ATOM 1569 CA LEU A 96 9.976 -4.267 -5.655 1.00 0.00 C ATOM 1570 C LEU A 96 9.289 -4.145 -4.300 1.00 0.00 C ATOM 1571 O LEU A 96 8.699 -3.113 -3.981 1.00 0.00 O ATOM 1572 CB LEU A 96 9.174 -5.202 -6.563 1.00 0.00 C ATOM 1573 CG LEU A 96 7.711 -4.811 -6.789 1.00 0.00 C ATOM 1574 CD1 LEU A 96 7.612 -3.427 -7.416 1.00 0.00 C ATOM 1575 CD2 LEU A 96 7.024 -5.839 -7.671 1.00 0.00 C ATOM 0 H LEU A 96 11.502 -5.673 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 96 10.025 -3.278 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.671 -5.253 -7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.202 -6.205 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 96 7.209 -4.784 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.564 -3.170 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.073 -2.694 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.128 -3.425 -8.376 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.984 -5.550 -7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.532 -5.890 -8.634 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.062 -6.816 -7.189 1.00 0.00 H new ATOM 1587 N VAL A 97 9.392 -5.201 -3.504 1.00 0.00 N ATOM 1588 CA VAL A 97 8.781 -5.231 -2.183 1.00 0.00 C ATOM 1589 C VAL A 97 9.358 -4.135 -1.289 1.00 0.00 C ATOM 1590 O VAL A 97 8.615 -3.419 -0.623 1.00 0.00 O ATOM 1591 CB VAL A 97 8.967 -6.607 -1.497 1.00 0.00 C ATOM 1592 CG1 VAL A 97 8.383 -6.600 -0.091 1.00 0.00 C ATOM 1593 CG2 VAL A 97 8.326 -7.708 -2.330 1.00 0.00 C ATOM 0 H VAL A 97 9.896 -6.052 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 97 7.714 -5.056 -2.323 1.00 0.00 H new ATOM 0 HB VAL A 97 10.036 -6.803 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.527 -7.578 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.886 -5.841 0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.317 -6.376 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.466 -8.668 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.260 -7.508 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.792 -7.737 -3.315 1.00 0.00 H new ATOM 1603 N GLN A 98 10.679 -3.986 -1.304 1.00 0.00 N ATOM 1604 CA GLN A 98 11.346 -3.008 -0.451 1.00 0.00 C ATOM 1605 C GLN A 98 10.956 -1.582 -0.841 1.00 0.00 C ATOM 1606 O GLN A 98 10.678 -0.747 0.021 1.00 0.00 O ATOM 1607 CB GLN A 98 12.866 -3.179 -0.533 1.00 0.00 C ATOM 1608 CG GLN A 98 13.622 -2.402 0.533 1.00 0.00 C ATOM 1609 CD GLN A 98 15.123 -2.609 0.450 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.668 -3.533 1.054 1.00 0.00 O ATOM 1611 NE2 GLN A 98 15.802 -1.741 -0.281 1.00 0.00 N ATOM 0 H GLN A 98 11.308 -4.529 -1.896 1.00 0.00 H new ATOM 0 HA GLN A 98 11.024 -3.181 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.110 -4.237 -0.442 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.207 -2.857 -1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.399 -1.340 0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.270 -2.708 1.518 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.312 -0.989 -0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.816 -1.823 -0.360 1.00 0.00 H new ATOM 1620 N GLN A 99 10.923 -1.317 -2.145 1.00 0.00 N ATOM 1621 CA GLN A 99 10.571 0.006 -2.653 1.00 0.00 C ATOM 1622 C GLN A 99 9.139 0.368 -2.259 1.00 0.00 C ATOM 1623 O GLN A 99 8.863 1.484 -1.816 1.00 0.00 O ATOM 1624 CB GLN A 99 10.722 0.032 -4.180 1.00 0.00 C ATOM 1625 CG GLN A 99 10.508 1.401 -4.810 1.00 0.00 C ATOM 1626 CD GLN A 99 11.566 2.409 -4.405 1.00 0.00 C ATOM 1627 OE1 GLN A 99 11.412 3.133 -3.422 1.00 0.00 O ATOM 1628 NE2 GLN A 99 12.654 2.465 -5.160 1.00 0.00 N ATOM 0 H GLN A 99 11.136 -2.002 -2.870 1.00 0.00 H new ATOM 0 HA GLN A 99 11.245 0.742 -2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.719 -0.322 -4.440 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.011 -0.670 -4.615 1.00 0.00 H new ATOM 0 HG2 GLN A 99 10.507 1.300 -5.895 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.526 1.778 -4.524 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.747 1.849 -5.968 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.399 3.124 -4.933 1.00 0.00 H new ATOM 1637 N HIS A 100 8.240 -0.595 -2.408 1.00 0.00 N ATOM 1638 CA HIS A 100 6.844 -0.411 -2.045 1.00 0.00 C ATOM 1639 C HIS A 100 6.712 -0.233 -0.531 1.00 0.00 C ATOM 1640 O HIS A 100 6.031 0.678 -0.055 1.00 0.00 O ATOM 1641 CB HIS A 100 6.032 -1.630 -2.509 1.00 0.00 C ATOM 1642 CG HIS A 100 4.541 -1.468 -2.417 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.648 -2.211 -3.154 1.00 0.00 N ATOM 1644 CD2 HIS A 100 3.789 -0.637 -1.650 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.411 -1.822 -2.821 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.439 -0.865 -1.911 1.00 0.00 N ATOM 0 H HIS A 100 8.457 -1.519 -2.781 1.00 0.00 H new ATOM 0 HA HIS A 100 6.459 0.485 -2.533 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.296 -1.852 -3.543 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.327 -2.493 -1.912 1.00 0.00 H new ATOM 0 HD1 HIS A 100 3.887 -2.932 -3.835 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.176 0.087 -0.948 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.507 -2.237 -3.242 1.00 0.00 H new ATOM 1654 N LEU A 101 7.396 -1.098 0.211 1.00 0.00 N ATOM 1655 CA LEU A 101 7.312 -1.123 1.668 1.00 0.00 C ATOM 1656 C LEU A 101 7.694 0.233 2.263 1.00 0.00 C ATOM 1657 O LEU A 101 6.990 0.758 3.124 1.00 0.00 O ATOM 1658 CB LEU A 101 8.229 -2.231 2.215 1.00 0.00 C ATOM 1659 CG LEU A 101 7.779 -2.902 3.520 1.00 0.00 C ATOM 1660 CD1 LEU A 101 8.603 -4.156 3.778 1.00 0.00 C ATOM 1661 CD2 LEU A 101 7.906 -1.950 4.698 1.00 0.00 C ATOM 0 H LEU A 101 8.024 -1.801 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 101 6.282 -1.333 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.328 -3.002 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.221 -1.808 2.372 1.00 0.00 H new ATOM 0 HG LEU A 101 6.730 -3.176 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.274 -4.623 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.469 -4.856 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.657 -3.889 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.580 -2.453 5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.946 -1.641 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.283 -1.072 4.525 1.00 0.00 H new ATOM 1673 N GLN A 102 8.791 0.804 1.780 1.00 0.00 N ATOM 1674 CA GLN A 102 9.297 2.047 2.301 1.00 0.00 C ATOM 1675 C GLN A 102 8.313 3.197 2.103 1.00 0.00 C ATOM 1676 O GLN A 102 8.223 4.093 2.947 1.00 0.00 O ATOM 1677 CB GLN A 102 10.624 2.352 1.629 1.00 0.00 C ATOM 1678 CG GLN A 102 11.777 1.504 2.149 1.00 0.00 C ATOM 1679 CD GLN A 102 12.018 1.682 3.636 1.00 0.00 C ATOM 1680 OE1 GLN A 102 11.438 0.978 4.464 1.00 0.00 O ATOM 1681 NE2 GLN A 102 12.880 2.623 3.984 1.00 0.00 N ATOM 0 H GLN A 102 9.346 0.412 1.019 1.00 0.00 H new ATOM 0 HA GLN A 102 9.438 1.942 3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.523 2.195 0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.863 3.405 1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.571 0.454 1.943 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.686 1.763 1.605 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.339 3.184 3.267 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.086 2.787 4.970 1.00 0.00 H new ATOM 1690 N ASP A 103 7.569 3.176 1.003 1.00 0.00 N ATOM 1691 CA ASP A 103 6.589 4.227 0.739 1.00 0.00 C ATOM 1692 C ASP A 103 5.427 4.118 1.718 1.00 0.00 C ATOM 1693 O ASP A 103 4.956 5.123 2.257 1.00 0.00 O ATOM 1694 CB ASP A 103 6.057 4.157 -0.693 1.00 0.00 C ATOM 1695 CG ASP A 103 5.393 5.454 -1.109 1.00 0.00 C ATOM 1696 OD1 ASP A 103 6.089 6.492 -1.159 1.00 0.00 O ATOM 1697 OD2 ASP A 103 4.185 5.444 -1.392 1.00 0.00 O ATOM 0 H ASP A 103 7.623 2.452 0.286 1.00 0.00 H new ATOM 0 HA ASP A 103 7.093 5.185 0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.877 3.933 -1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.341 3.339 -0.776 1.00 0.00 H new ATOM 1702 N GLU A 104 4.984 2.887 1.962 1.00 0.00 N ATOM 1703 CA GLU A 104 3.879 2.637 2.881 1.00 0.00 C ATOM 1704 C GLU A 104 4.269 3.025 4.303 1.00 0.00 C ATOM 1705 O GLU A 104 3.434 3.497 5.074 1.00 0.00 O ATOM 1706 CB GLU A 104 3.455 1.166 2.850 1.00 0.00 C ATOM 1707 CG GLU A 104 3.048 0.660 1.474 1.00 0.00 C ATOM 1708 CD GLU A 104 1.876 1.411 0.864 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.247 2.250 1.558 1.00 0.00 O ATOM 1710 OE2 GLU A 104 1.572 1.169 -0.324 1.00 0.00 O ATOM 0 H GLU A 104 5.374 2.047 1.535 1.00 0.00 H new ATOM 0 HA GLU A 104 3.037 3.249 2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.278 0.555 3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.620 1.026 3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.904 0.734 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.791 -0.397 1.548 1.00 0.00 H new ATOM 1717 N GLN A 105 5.544 2.834 4.637 1.00 0.00 N ATOM 1718 CA GLN A 105 6.062 3.228 5.934 1.00 0.00 C ATOM 1719 C GLN A 105 5.891 4.725 6.130 1.00 0.00 C ATOM 1720 O GLN A 105 5.479 5.177 7.196 1.00 0.00 O ATOM 1721 CB GLN A 105 7.539 2.856 6.041 1.00 0.00 C ATOM 1722 CG GLN A 105 7.801 1.360 6.114 1.00 0.00 C ATOM 1723 CD GLN A 105 7.397 0.744 7.441 1.00 0.00 C ATOM 1724 OE1 GLN A 105 6.470 1.203 8.108 1.00 0.00 O ATOM 1725 NE2 GLN A 105 8.094 -0.310 7.830 1.00 0.00 N ATOM 0 H GLN A 105 6.235 2.407 4.021 1.00 0.00 H new ATOM 0 HA GLN A 105 5.506 2.703 6.710 1.00 0.00 H new ATOM 0 HB2 GLN A 105 8.068 3.265 5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.958 3.331 6.928 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.257 0.863 5.310 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.862 1.175 5.943 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.855 -0.661 7.249 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.870 -0.773 8.711 1.00 0.00 H new ATOM 1734 N ARG A 106 6.191 5.487 5.085 1.00 0.00 N ATOM 1735 CA ARG A 106 6.052 6.936 5.132 1.00 0.00 C ATOM 1736 C ARG A 106 4.579 7.328 5.237 1.00 0.00 C ATOM 1737 O ARG A 106 4.240 8.303 5.905 1.00 0.00 O ATOM 1738 CB ARG A 106 6.678 7.574 3.889 1.00 0.00 C ATOM 1739 CG ARG A 106 6.767 9.090 3.964 1.00 0.00 C ATOM 1740 CD ARG A 106 7.217 9.696 2.644 1.00 0.00 C ATOM 1741 NE ARG A 106 7.335 11.153 2.733 1.00 0.00 N ATOM 1742 CZ ARG A 106 6.298 11.996 2.669 1.00 0.00 C ATOM 1743 NH1 ARG A 106 5.067 11.526 2.484 1.00 0.00 N ATOM 1744 NH2 ARG A 106 6.491 13.306 2.782 1.00 0.00 N ATOM 0 H ARG A 106 6.532 5.125 4.195 1.00 0.00 H new ATOM 0 HA ARG A 106 6.576 7.302 6.015 1.00 0.00 H new ATOM 0 HB2 ARG A 106 7.679 7.166 3.746 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.092 7.295 3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.794 9.498 4.238 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.465 9.374 4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.178 9.269 2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.505 9.435 1.861 1.00 0.00 H new ATOM 0 HE ARG A 106 8.267 11.550 2.851 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.913 10.522 2.391 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.277 12.170 2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.433 13.673 2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.697 13.945 2.733 1.00 0.00 H new ATOM 1758 N HIS A 107 3.709 6.564 4.579 1.00 0.00 N ATOM 1759 CA HIS A 107 2.269 6.797 4.669 1.00 0.00 C ATOM 1760 C HIS A 107 1.806 6.654 6.116 1.00 0.00 C ATOM 1761 O HIS A 107 1.150 7.540 6.662 1.00 0.00 O ATOM 1762 CB HIS A 107 1.486 5.815 3.785 1.00 0.00 C ATOM 1763 CG HIS A 107 1.703 5.977 2.307 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.319 4.998 1.416 1.00 0.00 N ATOM 1765 CD2 HIS A 107 2.251 7.008 1.619 1.00 0.00 C ATOM 1766 CE1 HIS A 107 1.641 5.457 0.216 1.00 0.00 C ATOM 1767 NE2 HIS A 107 2.208 6.668 0.286 1.00 0.00 N ATOM 0 H HIS A 107 3.974 5.782 3.980 1.00 0.00 H new ATOM 0 HA HIS A 107 2.074 7.810 4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.759 4.798 4.068 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.423 5.929 3.995 1.00 0.00 H new ATOM 0 HD1 HIS A 107 0.878 4.105 1.635 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.646 7.922 2.037 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.468 4.921 -0.705 1.00 0.00 H new ATOM 1775 N VAL A 108 2.168 5.534 6.734 1.00 0.00 N ATOM 1776 CA VAL A 108 1.839 5.283 8.130 1.00 0.00 C ATOM 1777 C VAL A 108 2.462 6.348 9.026 1.00 0.00 C ATOM 1778 O VAL A 108 1.806 6.879 9.923 1.00 0.00 O ATOM 1779 CB VAL A 108 2.315 3.883 8.576 1.00 0.00 C ATOM 1780 CG1 VAL A 108 2.044 3.654 10.055 1.00 0.00 C ATOM 1781 CG2 VAL A 108 1.641 2.805 7.740 1.00 0.00 C ATOM 0 H VAL A 108 2.692 4.783 6.285 1.00 0.00 H new ATOM 0 HA VAL A 108 0.754 5.324 8.225 1.00 0.00 H new ATOM 0 HB VAL A 108 3.392 3.828 8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.390 2.660 10.339 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.574 4.404 10.642 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.974 3.734 10.245 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.986 1.824 8.065 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.560 2.870 7.866 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.893 2.948 6.689 1.00 0.00 H new ATOM 1791 N GLU A 109 3.720 6.672 8.754 1.00 0.00 N ATOM 1792 CA GLU A 109 4.432 7.703 9.491 1.00 0.00 C ATOM 1793 C GLU A 109 3.705 9.044 9.421 1.00 0.00 C ATOM 1794 O GLU A 109 3.644 9.775 10.407 1.00 0.00 O ATOM 1795 CB GLU A 109 5.853 7.839 8.943 1.00 0.00 C ATOM 1796 CG GLU A 109 6.813 6.804 9.500 1.00 0.00 C ATOM 1797 CD GLU A 109 7.017 6.943 10.992 1.00 0.00 C ATOM 1798 OE1 GLU A 109 6.258 6.316 11.764 1.00 0.00 O ATOM 1799 OE2 GLU A 109 7.944 7.669 11.401 1.00 0.00 O ATOM 0 H GLU A 109 4.271 6.229 8.019 1.00 0.00 H new ATOM 0 HA GLU A 109 4.474 7.406 10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.826 7.752 7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.230 8.835 9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.433 5.806 9.280 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.775 6.897 8.995 1.00 0.00 H new ATOM 1806 N GLU A 110 3.145 9.355 8.266 1.00 0.00 N ATOM 1807 CA GLU A 110 2.424 10.601 8.084 1.00 0.00 C ATOM 1808 C GLU A 110 1.111 10.611 8.856 1.00 0.00 C ATOM 1809 O GLU A 110 0.734 11.632 9.434 1.00 0.00 O ATOM 1810 CB GLU A 110 2.177 10.839 6.600 1.00 0.00 C ATOM 1811 CG GLU A 110 3.285 11.630 5.934 1.00 0.00 C ATOM 1812 CD GLU A 110 3.479 12.992 6.570 1.00 0.00 C ATOM 1813 OE1 GLU A 110 2.601 13.859 6.392 1.00 0.00 O ATOM 1814 OE2 GLU A 110 4.497 13.187 7.273 1.00 0.00 O ATOM 0 H GLU A 110 3.176 8.760 7.438 1.00 0.00 H new ATOM 0 HA GLU A 110 3.037 11.410 8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.071 9.878 6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.233 11.370 6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.217 11.067 5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.055 11.755 4.876 1.00 0.00 H new ATOM 1821 N ILE A 111 0.416 9.481 8.861 1.00 0.00 N ATOM 1822 CA ILE A 111 -0.862 9.378 9.552 1.00 0.00 C ATOM 1823 C ILE A 111 -0.676 9.355 11.073 1.00 0.00 C ATOM 1824 O ILE A 111 -1.307 10.128 11.794 1.00 0.00 O ATOM 1825 CB ILE A 111 -1.643 8.120 9.110 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -1.860 8.135 7.596 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -2.980 8.043 9.837 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -2.527 6.884 7.066 1.00 0.00 C ATOM 0 H ILE A 111 0.715 8.624 8.395 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.438 10.263 9.281 1.00 0.00 H new ATOM 0 HB ILE A 111 -1.057 7.238 9.369 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.469 9.000 7.333 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.897 8.261 7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.518 7.152 9.515 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.807 7.994 10.912 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.572 8.928 9.605 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.648 6.966 5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.909 6.016 7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.505 6.767 7.533 1.00 0.00 H new ATOM 1840 N GLU A 112 0.212 8.490 11.546 1.00 0.00 N ATOM 1841 CA GLU A 112 0.429 8.293 12.973 1.00 0.00 C ATOM 1842 C GLU A 112 1.061 9.515 13.641 1.00 0.00 C ATOM 1843 O GLU A 112 0.588 9.986 14.679 1.00 0.00 O ATOM 1844 CB GLU A 112 1.326 7.073 13.163 1.00 0.00 C ATOM 1845 CG GLU A 112 0.604 5.737 13.044 1.00 0.00 C ATOM 1846 CD GLU A 112 0.041 5.252 14.367 1.00 0.00 C ATOM 1847 OE1 GLU A 112 -1.009 5.761 14.805 1.00 0.00 O ATOM 1848 OE2 GLU A 112 0.650 4.342 14.975 1.00 0.00 O ATOM 0 H GLU A 112 0.801 7.906 10.952 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.540 8.140 13.449 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.126 7.107 12.424 1.00 0.00 H new ATOM 0 HB3 GLU A 112 1.796 7.132 14.145 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -0.207 5.831 12.322 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.294 4.990 12.653 1.00 0.00 H new