USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 715 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 57 ASN : amide:sc= -1.13 K(o=-1,f=-3.1!) USER MOD Set 1.2: A 99 LYS NZ :NH3+ 166:sc= 0.105 (180deg=0) USER MOD Set 2.1: A 88 THR OG1 : rot 109:sc= 1.22 USER MOD Set 2.2: A 89 HIS : no HD1:sc= 1.1 K(o=2.3,f=-5!) USER MOD Set 3.1: A 79 HIS : no HD1:sc= -2.96! C(o=-2.2!,f=-7.5!) USER MOD Set 3.2: A 87 THR OG1 : rot -18:sc= 0.769 USER MOD Single : A 47 THR OG1 : rot -33:sc= 0.257 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 43:sc= 0.283 USER MOD Single : A 60 THR OG1 : rot 71:sc= 0.00219 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 155:sc= -0.594 (180deg=-1.59) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -2.63! C(o=-2.6!,f=-5.3!) USER MOD Single : A 77 GLN : amide:sc= -0.0384 K(o=-0.038,f=-1) USER MOD Single : A 78 TYR OH : rot 110:sc= -1.26 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.213 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -150:sc= -1.57 USER MOD Single : A 94 ASN : amide:sc= -0.514 K(o=-0.51,f=-1.7!) USER MOD Single : A 97 ASN : amide:sc= -0.568 K(o=-0.57,f=-3.5!) USER MOD Single : A 101 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.845) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 95:sc= 1.38 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.0936 X(o=-0.094,f=0) USER MOD Single : A 132 TYR OH : rot -117:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 4.696 13.575 -1.159 1.00 0.00 N ATOM 103 CA THR A 47 4.504 12.627 -2.249 1.00 0.00 C ATOM 104 C THR A 47 5.394 11.402 -2.075 1.00 0.00 C ATOM 105 O THR A 47 6.170 11.055 -2.966 1.00 0.00 O ATOM 106 CB THR A 47 4.802 13.274 -3.615 1.00 0.00 C ATOM 107 OG1 THR A 47 6.020 14.024 -3.546 1.00 0.00 O ATOM 108 CG2 THR A 47 3.662 14.186 -4.042 1.00 0.00 C ATOM 0 HA THR A 47 3.458 12.320 -2.221 1.00 0.00 H new ATOM 0 HB THR A 47 4.906 12.480 -4.354 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.118 14.407 -2.649 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.895 14.631 -5.009 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.742 13.606 -4.122 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.530 14.975 -3.302 1.00 0.00 H new ATOM 116 N ILE A 48 5.276 10.750 -0.923 1.00 0.00 N ATOM 117 CA ILE A 48 6.069 9.561 -0.634 1.00 0.00 C ATOM 118 C ILE A 48 5.487 8.331 -1.322 1.00 0.00 C ATOM 119 O ILE A 48 6.192 7.352 -1.567 1.00 0.00 O ATOM 120 CB ILE A 48 6.155 9.297 0.880 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.753 9.227 1.488 1.00 0.00 C ATOM 122 CG2 ILE A 48 6.981 10.379 1.561 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.714 8.552 2.841 1.00 0.00 C ATOM 0 H ILE A 48 4.639 11.025 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 48 7.071 9.749 -1.019 1.00 0.00 H new ATOM 0 HB ILE A 48 6.648 8.338 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.356 10.238 1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.096 8.690 0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.032 10.178 2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.988 10.384 1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.515 11.350 1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.689 8.538 3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.080 7.530 2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.345 9.101 3.540 1.00 0.00 H new ATOM 135 N PHE A 49 4.196 8.389 -1.632 1.00 0.00 N ATOM 136 CA PHE A 49 3.518 7.280 -2.293 1.00 0.00 C ATOM 137 C PHE A 49 3.050 7.682 -3.688 1.00 0.00 C ATOM 138 O PHE A 49 1.968 7.293 -4.127 1.00 0.00 O ATOM 139 CB PHE A 49 2.325 6.813 -1.457 1.00 0.00 C ATOM 140 CG PHE A 49 2.715 5.986 -0.265 1.00 0.00 C ATOM 141 CD1 PHE A 49 3.188 4.693 -0.427 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.608 6.500 1.017 1.00 0.00 C ATOM 143 CE1 PHE A 49 3.548 3.930 0.667 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.967 5.742 2.115 1.00 0.00 C ATOM 145 CZ PHE A 49 3.436 4.454 1.940 1.00 0.00 C ATOM 0 H PHE A 49 3.598 9.192 -1.436 1.00 0.00 H new ATOM 0 HA PHE A 49 4.228 6.459 -2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.766 7.685 -1.117 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.654 6.231 -2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.276 4.277 -1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.240 7.505 1.160 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.917 2.925 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.881 6.156 3.109 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.714 3.858 2.797 1.00 0.00 H new ATOM 155 N SER A 50 3.873 8.464 -4.380 1.00 0.00 N ATOM 156 CA SER A 50 3.542 8.924 -5.723 1.00 0.00 C ATOM 157 C SER A 50 3.637 7.779 -6.727 1.00 0.00 C ATOM 158 O SER A 50 4.688 7.160 -6.882 1.00 0.00 O ATOM 159 CB SER A 50 4.475 10.062 -6.140 1.00 0.00 C ATOM 160 OG SER A 50 3.938 10.787 -7.233 1.00 0.00 O ATOM 0 H SER A 50 4.774 8.792 -4.032 1.00 0.00 H new ATOM 0 HA SER A 50 2.516 9.291 -5.712 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.634 10.734 -5.297 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.449 9.656 -6.412 1.00 0.00 H new ATOM 0 HG SER A 50 4.552 11.510 -7.479 1.00 0.00 H new ATOM 166 N GLY A 51 2.528 7.504 -7.409 1.00 0.00 N ATOM 167 CA GLY A 51 2.506 6.435 -8.389 1.00 0.00 C ATOM 168 C GLY A 51 2.605 5.062 -7.753 1.00 0.00 C ATOM 169 O GLY A 51 3.259 4.167 -8.289 1.00 0.00 O ATOM 0 H GLY A 51 1.645 8.003 -7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.586 6.497 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.333 6.569 -9.087 1.00 0.00 H new ATOM 173 N VAL A 52 1.955 4.895 -6.606 1.00 0.00 N ATOM 174 CA VAL A 52 1.972 3.623 -5.895 1.00 0.00 C ATOM 175 C VAL A 52 0.559 3.091 -5.685 1.00 0.00 C ATOM 176 O VAL A 52 -0.134 3.494 -4.751 1.00 0.00 O ATOM 177 CB VAL A 52 2.669 3.753 -4.528 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.518 2.468 -3.727 1.00 0.00 C ATOM 179 CG2 VAL A 52 4.137 4.107 -4.710 1.00 0.00 C ATOM 0 H VAL A 52 1.410 5.626 -6.149 1.00 0.00 H new ATOM 0 HA VAL A 52 2.532 2.922 -6.514 1.00 0.00 H new ATOM 0 HB VAL A 52 2.191 4.559 -3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.017 2.579 -2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.460 2.262 -3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.969 1.642 -4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.614 4.195 -3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.631 3.325 -5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.219 5.055 -5.241 1.00 0.00 H new ATOM 189 N ALA A 53 0.137 2.184 -6.559 1.00 0.00 N ATOM 190 CA ALA A 53 -1.193 1.595 -6.468 1.00 0.00 C ATOM 191 C ALA A 53 -1.170 0.312 -5.644 1.00 0.00 C ATOM 192 O ALA A 53 -0.453 -0.635 -5.971 1.00 0.00 O ATOM 193 CB ALA A 53 -1.746 1.321 -7.859 1.00 0.00 C ATOM 0 H ALA A 53 0.697 1.841 -7.339 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.845 2.308 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.740 0.881 -7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.809 2.256 -8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.086 0.630 -8.383 1.00 0.00 H new ATOM 199 N ILE A 54 -1.957 0.287 -4.574 1.00 0.00 N ATOM 200 CA ILE A 54 -2.027 -0.880 -3.704 1.00 0.00 C ATOM 201 C ILE A 54 -3.352 -1.615 -3.874 1.00 0.00 C ATOM 202 O ILE A 54 -4.327 -1.051 -4.372 1.00 0.00 O ATOM 203 CB ILE A 54 -1.855 -0.490 -2.224 1.00 0.00 C ATOM 204 CG1 ILE A 54 -3.031 0.372 -1.761 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.539 0.245 -2.019 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.315 0.263 -0.280 1.00 0.00 C ATOM 0 H ILE A 54 -2.555 1.062 -4.289 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.209 -1.539 -3.995 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.837 -1.400 -1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.826 1.414 -2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.923 0.083 -2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.432 0.514 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.288 -0.401 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.529 1.149 -2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.161 0.901 -0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.552 -0.771 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.437 0.581 0.283 1.00 0.00 H new ATOM 218 N TYR A 55 -3.381 -2.875 -3.456 1.00 0.00 N ATOM 219 CA TYR A 55 -4.587 -3.688 -3.563 1.00 0.00 C ATOM 220 C TYR A 55 -4.763 -4.567 -2.328 1.00 0.00 C ATOM 221 O TYR A 55 -4.046 -5.551 -2.145 1.00 0.00 O ATOM 222 CB TYR A 55 -4.531 -4.559 -4.819 1.00 0.00 C ATOM 223 CG TYR A 55 -5.567 -5.661 -4.838 1.00 0.00 C ATOM 224 CD1 TYR A 55 -6.887 -5.393 -5.178 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.225 -6.969 -4.517 1.00 0.00 C ATOM 226 CE1 TYR A 55 -7.837 -6.396 -5.197 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.168 -7.978 -4.535 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.473 -7.687 -4.875 1.00 0.00 C ATOM 229 OH TYR A 55 -8.415 -8.689 -4.892 1.00 0.00 O ATOM 0 H TYR A 55 -2.584 -3.356 -3.040 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.442 -3.016 -3.633 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.669 -3.927 -5.696 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.539 -5.003 -4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.175 -4.384 -5.432 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.205 -7.201 -4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.859 -6.170 -5.463 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.885 -8.990 -4.284 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.994 -9.538 -4.642 1.00 0.00 H new ATOM 239 N VAL A 56 -5.723 -4.203 -1.483 1.00 0.00 N ATOM 240 CA VAL A 56 -5.995 -4.958 -0.266 1.00 0.00 C ATOM 241 C VAL A 56 -6.612 -6.315 -0.587 1.00 0.00 C ATOM 242 O VAL A 56 -7.629 -6.399 -1.274 1.00 0.00 O ATOM 243 CB VAL A 56 -6.942 -4.186 0.673 1.00 0.00 C ATOM 244 CG1 VAL A 56 -7.293 -5.030 1.889 1.00 0.00 C ATOM 245 CG2 VAL A 56 -6.314 -2.866 1.093 1.00 0.00 C ATOM 0 H VAL A 56 -6.325 -3.391 -1.619 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.038 -5.106 0.235 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.864 -3.969 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.962 -4.468 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.786 -5.947 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.382 -5.280 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.996 -2.333 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.377 -3.059 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.119 -2.259 0.209 1.00 0.00 H new ATOM 255 N ASN A 57 -5.989 -7.376 -0.084 1.00 0.00 N ATOM 256 CA ASN A 57 -6.476 -8.731 -0.318 1.00 0.00 C ATOM 257 C ASN A 57 -6.704 -9.462 1.002 1.00 0.00 C ATOM 258 O ASN A 57 -5.758 -9.762 1.729 1.00 0.00 O ATOM 259 CB ASN A 57 -5.483 -9.511 -1.181 1.00 0.00 C ATOM 260 CG ASN A 57 -6.116 -10.718 -1.844 1.00 0.00 C ATOM 261 OD1 ASN A 57 -7.325 -10.750 -2.076 1.00 0.00 O ATOM 262 ND2 ASN A 57 -5.301 -11.720 -2.151 1.00 0.00 N ATOM 0 H ASN A 57 -5.146 -7.324 0.488 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.428 -8.662 -0.845 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.075 -8.851 -1.947 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.646 -9.837 -0.563 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.670 -12.559 -2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.305 -11.650 -1.940 1.00 0.00 H new ATOM 269 N GLY A 58 -7.967 -9.746 1.305 1.00 0.00 N ATOM 270 CA GLY A 58 -8.297 -10.439 2.536 1.00 0.00 C ATOM 271 C GLY A 58 -8.406 -9.499 3.720 1.00 0.00 C ATOM 272 O GLY A 58 -8.555 -8.289 3.549 1.00 0.00 O ATOM 0 H GLY A 58 -8.768 -9.508 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.241 -10.969 2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.535 -11.190 2.742 1.00 0.00 H new ATOM 276 N TYR A 59 -8.333 -10.056 4.924 1.00 0.00 N ATOM 277 CA TYR A 59 -8.429 -9.260 6.141 1.00 0.00 C ATOM 278 C TYR A 59 -7.082 -8.632 6.488 1.00 0.00 C ATOM 279 O TYR A 59 -6.067 -9.322 6.586 1.00 0.00 O ATOM 280 CB TYR A 59 -8.915 -10.125 7.305 1.00 0.00 C ATOM 281 CG TYR A 59 -9.013 -9.378 8.616 1.00 0.00 C ATOM 282 CD1 TYR A 59 -7.869 -9.016 9.318 1.00 0.00 C ATOM 283 CD2 TYR A 59 -10.247 -9.035 9.153 1.00 0.00 C ATOM 284 CE1 TYR A 59 -7.953 -8.334 10.517 1.00 0.00 C ATOM 285 CE2 TYR A 59 -10.341 -8.351 10.349 1.00 0.00 C ATOM 286 CZ TYR A 59 -9.191 -8.004 11.028 1.00 0.00 C ATOM 287 OH TYR A 59 -9.280 -7.324 12.221 1.00 0.00 O ATOM 0 H TYR A 59 -8.208 -11.056 5.083 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.149 -8.461 5.966 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.893 -10.536 7.057 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.236 -10.969 7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.898 -9.272 8.920 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.149 -9.308 8.626 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.055 -8.061 11.051 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.309 -8.089 10.750 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.613 -6.606 12.239 1.00 0.00 H new ATOM 297 N THR A 60 -7.081 -7.315 6.674 1.00 0.00 N ATOM 298 CA THR A 60 -5.861 -6.592 7.010 1.00 0.00 C ATOM 299 C THR A 60 -6.139 -5.484 8.019 1.00 0.00 C ATOM 300 O THR A 60 -7.277 -5.038 8.168 1.00 0.00 O ATOM 301 CB THR A 60 -5.210 -5.977 5.757 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.172 -5.198 5.036 1.00 0.00 O ATOM 303 CG2 THR A 60 -4.648 -7.062 4.851 1.00 0.00 C ATOM 0 H THR A 60 -7.912 -6.728 6.597 1.00 0.00 H new ATOM 0 HA THR A 60 -5.175 -7.316 7.449 1.00 0.00 H new ATOM 0 HB THR A 60 -4.391 -5.334 6.079 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.375 -4.382 5.539 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.193 -6.603 3.973 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.895 -7.634 5.393 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.453 -7.727 4.537 1.00 0.00 H new ATOM 311 N ASP A 61 -5.094 -5.044 8.711 1.00 0.00 N ATOM 312 CA ASP A 61 -5.225 -3.986 9.706 1.00 0.00 C ATOM 313 C ASP A 61 -4.220 -2.868 9.447 1.00 0.00 C ATOM 314 O ASP A 61 -3.007 -3.081 9.435 1.00 0.00 O ATOM 315 CB ASP A 61 -5.026 -4.552 11.112 1.00 0.00 C ATOM 316 CG ASP A 61 -5.906 -5.756 11.382 1.00 0.00 C ATOM 317 OD1 ASP A 61 -7.115 -5.689 11.074 1.00 0.00 O ATOM 318 OD2 ASP A 61 -5.387 -6.767 11.901 1.00 0.00 O ATOM 0 H ASP A 61 -4.146 -5.404 8.601 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.230 -3.571 9.629 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.981 -4.833 11.243 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.242 -3.776 11.847 1.00 0.00 H new ATOM 323 N PRO A 62 -4.734 -1.648 9.233 1.00 0.00 N ATOM 324 CA PRO A 62 -6.176 -1.383 9.243 1.00 0.00 C ATOM 325 C PRO A 62 -6.888 -2.000 8.045 1.00 0.00 C ATOM 326 O PRO A 62 -6.293 -2.761 7.282 1.00 0.00 O ATOM 327 CB PRO A 62 -6.256 0.144 9.185 1.00 0.00 C ATOM 328 CG PRO A 62 -4.985 0.566 8.532 1.00 0.00 C ATOM 329 CD PRO A 62 -3.947 -0.433 8.963 1.00 0.00 C ATOM 0 HA PRO A 62 -6.664 -1.816 10.116 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.123 0.473 8.613 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.350 0.574 10.182 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.089 0.578 7.447 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.706 1.575 8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.203 -0.601 8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.410 -0.097 9.850 1.00 0.00 H new ATOM 337 N SER A 63 -8.164 -1.667 7.884 1.00 0.00 N ATOM 338 CA SER A 63 -8.958 -2.192 6.780 1.00 0.00 C ATOM 339 C SER A 63 -8.606 -1.486 5.474 1.00 0.00 C ATOM 340 O SER A 63 -7.872 -0.498 5.468 1.00 0.00 O ATOM 341 CB SER A 63 -10.451 -2.029 7.074 1.00 0.00 C ATOM 342 OG SER A 63 -10.843 -0.670 6.984 1.00 0.00 O ATOM 0 H SER A 63 -8.671 -1.036 8.505 1.00 0.00 H new ATOM 0 HA SER A 63 -8.730 -3.252 6.673 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.031 -2.625 6.370 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.672 -2.409 8.071 1.00 0.00 H new ATOM 0 HG SER A 63 -11.801 -0.593 7.174 1.00 0.00 H new ATOM 348 N ALA A 64 -9.134 -2.002 4.369 1.00 0.00 N ATOM 349 CA ALA A 64 -8.877 -1.421 3.057 1.00 0.00 C ATOM 350 C ALA A 64 -9.353 0.027 2.994 1.00 0.00 C ATOM 351 O ALA A 64 -8.665 0.893 2.454 1.00 0.00 O ATOM 352 CB ALA A 64 -9.553 -2.247 1.972 1.00 0.00 C ATOM 0 H ALA A 64 -9.742 -2.821 4.356 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.800 -1.430 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.353 -1.801 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.163 -3.264 1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.629 -2.267 2.147 1.00 0.00 H new ATOM 358 N GLU A 65 -10.533 0.281 3.550 1.00 0.00 N ATOM 359 CA GLU A 65 -11.100 1.625 3.556 1.00 0.00 C ATOM 360 C GLU A 65 -10.115 2.629 4.147 1.00 0.00 C ATOM 361 O GLU A 65 -9.972 3.743 3.644 1.00 0.00 O ATOM 362 CB GLU A 65 -12.407 1.647 4.351 1.00 0.00 C ATOM 363 CG GLU A 65 -12.988 3.040 4.529 1.00 0.00 C ATOM 364 CD GLU A 65 -14.063 3.093 5.597 1.00 0.00 C ATOM 365 OE1 GLU A 65 -15.053 2.341 5.480 1.00 0.00 O ATOM 366 OE2 GLU A 65 -13.913 3.885 6.550 1.00 0.00 O ATOM 0 H GLU A 65 -11.115 -0.425 4.002 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.306 1.909 2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.140 1.018 3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.233 1.207 5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.188 3.732 4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.406 3.379 3.581 1.00 0.00 H new ATOM 373 N GLU A 66 -9.439 2.225 5.218 1.00 0.00 N ATOM 374 CA GLU A 66 -8.468 3.090 5.878 1.00 0.00 C ATOM 375 C GLU A 66 -7.331 3.457 4.928 1.00 0.00 C ATOM 376 O GLU A 66 -7.018 4.634 4.742 1.00 0.00 O ATOM 377 CB GLU A 66 -7.905 2.404 7.124 1.00 0.00 C ATOM 378 CG GLU A 66 -8.726 2.651 8.379 1.00 0.00 C ATOM 379 CD GLU A 66 -8.732 4.109 8.794 1.00 0.00 C ATOM 380 OE1 GLU A 66 -7.641 4.658 9.052 1.00 0.00 O ATOM 381 OE2 GLU A 66 -9.830 4.701 8.860 1.00 0.00 O ATOM 0 H GLU A 66 -9.546 1.306 5.647 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.979 4.006 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.848 1.331 6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.886 2.754 7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.751 2.321 8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.328 2.047 9.194 1.00 0.00 H new ATOM 388 N LEU A 67 -6.717 2.442 4.331 1.00 0.00 N ATOM 389 CA LEU A 67 -5.614 2.656 3.400 1.00 0.00 C ATOM 390 C LEU A 67 -6.084 3.420 2.166 1.00 0.00 C ATOM 391 O LEU A 67 -5.333 4.206 1.587 1.00 0.00 O ATOM 392 CB LEU A 67 -5.005 1.316 2.983 1.00 0.00 C ATOM 393 CG LEU A 67 -4.705 0.334 4.116 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.386 -1.044 3.557 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.555 0.844 4.972 1.00 0.00 C ATOM 0 H LEU A 67 -6.964 1.463 4.475 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.854 3.251 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.685 0.833 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.078 1.513 2.445 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.591 0.252 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.175 -1.730 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.239 -1.412 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.515 -0.979 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.355 0.133 5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.664 0.955 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.822 1.810 5.402 1.00 0.00 H new ATOM 407 N ARG A 68 -7.330 3.186 1.770 1.00 0.00 N ATOM 408 CA ARG A 68 -7.900 3.853 0.606 1.00 0.00 C ATOM 409 C ARG A 68 -7.614 5.351 0.643 1.00 0.00 C ATOM 410 O ARG A 68 -7.126 5.926 -0.330 1.00 0.00 O ATOM 411 CB ARG A 68 -9.410 3.612 0.542 1.00 0.00 C ATOM 412 CG ARG A 68 -10.060 4.155 -0.721 1.00 0.00 C ATOM 413 CD ARG A 68 -11.495 3.672 -0.860 1.00 0.00 C ATOM 414 NE ARG A 68 -12.437 4.545 -0.164 1.00 0.00 N ATOM 415 CZ ARG A 68 -13.742 4.560 -0.408 1.00 0.00 C ATOM 416 NH1 ARG A 68 -14.258 3.752 -1.324 1.00 0.00 N ATOM 417 NH2 ARG A 68 -14.535 5.383 0.267 1.00 0.00 N ATOM 0 H ARG A 68 -7.965 2.539 2.238 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.434 3.434 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.602 2.541 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.880 4.074 1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.042 5.245 -0.701 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.484 3.842 -1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.760 3.622 -1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.577 2.660 -0.463 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.072 5.178 0.548 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.652 3.117 -1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.261 3.766 -1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.142 6.005 0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.537 5.394 0.079 1.00 0.00 H new ATOM 431 N LYS A 69 -7.922 5.979 1.773 1.00 0.00 N ATOM 432 CA LYS A 69 -7.698 7.410 1.939 1.00 0.00 C ATOM 433 C LYS A 69 -6.210 7.715 2.079 1.00 0.00 C ATOM 434 O LYS A 69 -5.657 8.521 1.329 1.00 0.00 O ATOM 435 CB LYS A 69 -8.453 7.926 3.166 1.00 0.00 C ATOM 436 CG LYS A 69 -9.933 8.158 2.916 1.00 0.00 C ATOM 437 CD LYS A 69 -10.745 6.898 3.166 1.00 0.00 C ATOM 438 CE LYS A 69 -10.966 6.664 4.653 1.00 0.00 C ATOM 439 NZ LYS A 69 -12.145 7.417 5.164 1.00 0.00 N ATOM 0 H LYS A 69 -8.328 5.519 2.588 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.073 7.917 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.338 7.210 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.998 8.860 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.291 8.958 3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.082 8.490 1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.708 6.978 2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.230 6.040 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.108 5.599 4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.076 6.966 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.262 7.231 6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.999 8.435 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.999 7.111 4.656 1.00 0.00 H new ATOM 453 N LEU A 70 -5.566 7.066 3.043 1.00 0.00 N ATOM 454 CA LEU A 70 -4.140 7.266 3.281 1.00 0.00 C ATOM 455 C LEU A 70 -3.390 7.452 1.966 1.00 0.00 C ATOM 456 O LEU A 70 -2.610 8.391 1.812 1.00 0.00 O ATOM 457 CB LEU A 70 -3.559 6.079 4.049 1.00 0.00 C ATOM 458 CG LEU A 70 -4.160 5.814 5.430 1.00 0.00 C ATOM 459 CD1 LEU A 70 -3.735 4.447 5.944 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.750 6.905 6.409 1.00 0.00 C ATOM 0 H LEU A 70 -6.008 6.397 3.673 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.020 8.170 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.685 5.182 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.487 6.237 4.166 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.246 5.824 5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.172 4.276 6.928 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.079 3.676 5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.648 4.408 6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.187 6.700 7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.664 6.927 6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.106 7.870 6.048 1.00 0.00 H new ATOM 472 N MET A 71 -3.633 6.551 1.019 1.00 0.00 N ATOM 473 CA MET A 71 -2.983 6.618 -0.284 1.00 0.00 C ATOM 474 C MET A 71 -3.255 7.958 -0.960 1.00 0.00 C ATOM 475 O MET A 71 -2.332 8.726 -1.232 1.00 0.00 O ATOM 476 CB MET A 71 -3.467 5.475 -1.179 1.00 0.00 C ATOM 477 CG MET A 71 -2.932 4.113 -0.767 1.00 0.00 C ATOM 478 SD MET A 71 -1.146 3.978 -0.968 1.00 0.00 S ATOM 479 CE MET A 71 -0.621 3.848 0.739 1.00 0.00 C ATOM 0 H MET A 71 -4.275 5.766 1.130 1.00 0.00 H new ATOM 0 HA MET A 71 -1.908 6.520 -0.131 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.557 5.448 -1.163 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.168 5.678 -2.207 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.192 3.925 0.275 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.420 3.340 -1.361 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.338 3.331 0.786 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.517 4.846 1.165 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.364 3.287 1.306 1.00 0.00 H new ATOM 489 N MET A 72 -4.528 8.233 -1.228 1.00 0.00 N ATOM 490 CA MET A 72 -4.920 9.482 -1.870 1.00 0.00 C ATOM 491 C MET A 72 -4.255 10.675 -1.192 1.00 0.00 C ATOM 492 O MET A 72 -3.744 11.576 -1.859 1.00 0.00 O ATOM 493 CB MET A 72 -6.441 9.642 -1.835 1.00 0.00 C ATOM 494 CG MET A 72 -7.182 8.599 -2.655 1.00 0.00 C ATOM 495 SD MET A 72 -7.232 9.003 -4.411 1.00 0.00 S ATOM 496 CE MET A 72 -8.843 9.777 -4.535 1.00 0.00 C ATOM 0 H MET A 72 -5.304 7.608 -1.011 1.00 0.00 H new ATOM 0 HA MET A 72 -4.589 9.447 -2.908 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.780 9.587 -0.801 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.702 10.634 -2.203 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.701 7.630 -2.523 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.201 8.503 -2.279 1.00 0.00 H new ATOM 0 HE1 MET A 72 -9.021 10.083 -5.566 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.612 9.068 -4.229 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.877 10.652 -3.886 1.00 0.00 H new ATOM 506 N LEU A 73 -4.265 10.676 0.136 1.00 0.00 N ATOM 507 CA LEU A 73 -3.663 11.760 0.905 1.00 0.00 C ATOM 508 C LEU A 73 -2.175 11.887 0.594 1.00 0.00 C ATOM 509 O LEU A 73 -1.629 12.990 0.556 1.00 0.00 O ATOM 510 CB LEU A 73 -3.863 11.522 2.403 1.00 0.00 C ATOM 511 CG LEU A 73 -5.149 12.089 3.006 1.00 0.00 C ATOM 512 CD1 LEU A 73 -6.344 11.234 2.615 1.00 0.00 C ATOM 513 CD2 LEU A 73 -5.031 12.184 4.520 1.00 0.00 C ATOM 0 H LEU A 73 -4.683 9.939 0.703 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.156 12.690 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.842 10.448 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.015 11.952 2.936 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.302 13.093 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.250 11.653 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.440 11.218 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.200 10.218 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.955 12.589 4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.854 11.191 4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.200 12.839 4.780 1.00 0.00 H new ATOM 525 N HIS A 74 -1.523 10.750 0.369 1.00 0.00 N ATOM 526 CA HIS A 74 -0.098 10.734 0.058 1.00 0.00 C ATOM 527 C HIS A 74 0.128 10.550 -1.440 1.00 0.00 C ATOM 528 O HIS A 74 1.158 10.026 -1.862 1.00 0.00 O ATOM 529 CB HIS A 74 0.602 9.617 0.832 1.00 0.00 C ATOM 530 CG HIS A 74 0.734 9.896 2.298 1.00 0.00 C ATOM 531 ND1 HIS A 74 1.769 10.631 2.834 1.00 0.00 N ATOM 532 CD2 HIS A 74 -0.049 9.534 3.342 1.00 0.00 C ATOM 533 CE1 HIS A 74 1.620 10.709 4.144 1.00 0.00 C ATOM 534 NE2 HIS A 74 0.524 10.052 4.478 1.00 0.00 N ATOM 0 H HIS A 74 -1.959 9.828 0.396 1.00 0.00 H new ATOM 0 HA HIS A 74 0.325 11.693 0.357 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.047 8.689 0.696 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.594 9.460 0.410 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.532 11.050 2.302 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.955 8.948 3.291 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.282 11.223 4.826 1.00 0.00 H new ATOM 542 N GLY A 75 -0.842 10.984 -2.238 1.00 0.00 N ATOM 543 CA GLY A 75 -0.729 10.858 -3.680 1.00 0.00 C ATOM 544 C GLY A 75 -0.635 9.413 -4.129 1.00 0.00 C ATOM 545 O GLY A 75 0.253 9.052 -4.901 1.00 0.00 O ATOM 0 H GLY A 75 -1.704 11.421 -1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.593 11.327 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.153 11.400 -4.021 1.00 0.00 H new ATOM 549 N GLY A 76 -1.553 8.583 -3.644 1.00 0.00 N ATOM 550 CA GLY A 76 -1.551 7.179 -4.011 1.00 0.00 C ATOM 551 C GLY A 76 -2.792 6.779 -4.783 1.00 0.00 C ATOM 552 O GLY A 76 -3.633 7.621 -5.097 1.00 0.00 O ATOM 0 H GLY A 76 -2.298 8.858 -3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.668 6.966 -4.613 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.476 6.571 -3.109 1.00 0.00 H new ATOM 556 N GLN A 77 -2.906 5.491 -5.093 1.00 0.00 N ATOM 557 CA GLN A 77 -4.053 4.983 -5.836 1.00 0.00 C ATOM 558 C GLN A 77 -4.607 3.720 -5.186 1.00 0.00 C ATOM 559 O GLN A 77 -3.883 2.990 -4.508 1.00 0.00 O ATOM 560 CB GLN A 77 -3.660 4.695 -7.286 1.00 0.00 C ATOM 561 CG GLN A 77 -3.500 5.947 -8.134 1.00 0.00 C ATOM 562 CD GLN A 77 -3.476 5.646 -9.620 1.00 0.00 C ATOM 563 OE1 GLN A 77 -4.157 4.735 -10.091 1.00 0.00 O ATOM 564 NE2 GLN A 77 -2.691 6.413 -10.367 1.00 0.00 N ATOM 0 H GLN A 77 -2.218 4.781 -4.841 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.831 5.747 -5.822 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.723 4.138 -7.296 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.417 4.054 -7.738 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.319 6.634 -7.919 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.577 6.455 -7.855 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.144 7.157 -9.934 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.635 6.258 -11.374 1.00 0.00 H new ATOM 573 N TYR A 78 -5.894 3.468 -5.397 1.00 0.00 N ATOM 574 CA TYR A 78 -6.545 2.294 -4.829 1.00 0.00 C ATOM 575 C TYR A 78 -7.373 1.566 -5.884 1.00 0.00 C ATOM 576 O TYR A 78 -8.167 2.178 -6.599 1.00 0.00 O ATOM 577 CB TYR A 78 -7.438 2.698 -3.654 1.00 0.00 C ATOM 578 CG TYR A 78 -8.111 1.528 -2.974 1.00 0.00 C ATOM 579 CD1 TYR A 78 -9.160 0.853 -3.585 1.00 0.00 C ATOM 580 CD2 TYR A 78 -7.696 1.096 -1.720 1.00 0.00 C ATOM 581 CE1 TYR A 78 -9.778 -0.217 -2.966 1.00 0.00 C ATOM 582 CE2 TYR A 78 -8.307 0.027 -1.094 1.00 0.00 C ATOM 583 CZ TYR A 78 -9.348 -0.626 -1.721 1.00 0.00 C ATOM 584 OH TYR A 78 -9.960 -1.692 -1.102 1.00 0.00 O ATOM 0 H TYR A 78 -6.507 4.061 -5.957 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.769 1.617 -4.471 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.838 3.237 -2.921 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.202 3.389 -4.010 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.498 1.170 -4.560 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.881 1.605 -1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.593 -0.730 -3.454 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.972 -0.296 -0.119 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.346 -2.455 -1.082 1.00 0.00 H new ATOM 594 N HIS A 79 -7.181 0.254 -5.975 1.00 0.00 N ATOM 595 CA HIS A 79 -7.909 -0.560 -6.942 1.00 0.00 C ATOM 596 C HIS A 79 -8.813 -1.566 -6.234 1.00 0.00 C ATOM 597 O HIS A 79 -8.355 -2.348 -5.402 1.00 0.00 O ATOM 598 CB HIS A 79 -6.933 -1.293 -7.862 1.00 0.00 C ATOM 599 CG HIS A 79 -6.023 -0.378 -8.621 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.720 -0.703 -8.936 1.00 0.00 N ATOM 601 CD2 HIS A 79 -6.234 0.858 -9.130 1.00 0.00 C ATOM 602 CE1 HIS A 79 -4.169 0.295 -9.605 1.00 0.00 C ATOM 603 NE2 HIS A 79 -5.067 1.254 -9.736 1.00 0.00 N ATOM 0 H HIS A 79 -6.528 -0.268 -5.391 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.532 0.103 -7.542 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.331 -1.979 -7.266 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.499 -1.898 -8.570 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.150 1.427 -9.071 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.157 0.321 -9.980 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.918 2.145 -10.210 1.00 0.00 H new ATOM 611 N VAL A 80 -10.099 -1.538 -6.571 1.00 0.00 N ATOM 612 CA VAL A 80 -11.066 -2.447 -5.968 1.00 0.00 C ATOM 613 C VAL A 80 -10.708 -3.900 -6.256 1.00 0.00 C ATOM 614 O VAL A 80 -10.814 -4.762 -5.383 1.00 0.00 O ATOM 615 CB VAL A 80 -12.492 -2.169 -6.481 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.489 -3.110 -5.822 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.873 -0.718 -6.235 1.00 0.00 C ATOM 0 H VAL A 80 -10.495 -0.896 -7.258 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.035 -2.275 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.515 -2.349 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.491 -2.899 -6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.224 -4.141 -6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.467 -2.965 -4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.883 -0.540 -6.604 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.834 -0.508 -5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.175 -0.065 -6.759 1.00 0.00 H new ATOM 627 N TYR A 81 -10.283 -4.167 -7.486 1.00 0.00 N ATOM 628 CA TYR A 81 -9.911 -5.517 -7.891 1.00 0.00 C ATOM 629 C TYR A 81 -8.399 -5.639 -8.055 1.00 0.00 C ATOM 630 O TYR A 81 -7.663 -4.669 -7.874 1.00 0.00 O ATOM 631 CB TYR A 81 -10.609 -5.891 -9.200 1.00 0.00 C ATOM 632 CG TYR A 81 -12.106 -6.053 -9.063 1.00 0.00 C ATOM 633 CD1 TYR A 81 -12.660 -7.268 -8.682 1.00 0.00 C ATOM 634 CD2 TYR A 81 -12.965 -4.991 -9.315 1.00 0.00 C ATOM 635 CE1 TYR A 81 -14.028 -7.421 -8.556 1.00 0.00 C ATOM 636 CE2 TYR A 81 -14.333 -5.134 -9.190 1.00 0.00 C ATOM 637 CZ TYR A 81 -14.860 -6.351 -8.811 1.00 0.00 C ATOM 638 OH TYR A 81 -16.223 -6.499 -8.687 1.00 0.00 O ATOM 0 H TYR A 81 -10.188 -3.465 -8.220 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.230 -6.205 -7.108 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.402 -5.123 -9.945 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.184 -6.822 -9.576 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.011 -8.108 -8.481 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.556 -4.037 -9.614 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -14.443 -8.373 -8.260 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -14.987 -4.297 -9.388 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.665 -5.651 -8.901 1.00 0.00 H new ATOM 648 N TYR A 82 -7.943 -6.838 -8.399 1.00 0.00 N ATOM 649 CA TYR A 82 -6.519 -7.090 -8.586 1.00 0.00 C ATOM 650 C TYR A 82 -6.103 -6.821 -10.029 1.00 0.00 C ATOM 651 O TYR A 82 -6.827 -7.153 -10.967 1.00 0.00 O ATOM 652 CB TYR A 82 -6.180 -8.532 -8.206 1.00 0.00 C ATOM 653 CG TYR A 82 -4.829 -8.989 -8.708 1.00 0.00 C ATOM 654 CD1 TYR A 82 -3.682 -8.251 -8.444 1.00 0.00 C ATOM 655 CD2 TYR A 82 -4.699 -10.159 -9.447 1.00 0.00 C ATOM 656 CE1 TYR A 82 -2.446 -8.664 -8.901 1.00 0.00 C ATOM 657 CE2 TYR A 82 -3.467 -10.580 -9.907 1.00 0.00 C ATOM 658 CZ TYR A 82 -2.343 -9.829 -9.632 1.00 0.00 C ATOM 659 OH TYR A 82 -1.114 -10.245 -10.089 1.00 0.00 O ATOM 0 H TYR A 82 -8.539 -7.651 -8.554 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.968 -6.411 -7.935 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.207 -8.629 -7.121 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.949 -9.194 -8.604 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.758 -7.338 -7.871 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.577 -10.749 -9.665 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.565 -8.078 -8.687 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.384 -11.492 -10.479 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.216 -11.084 -10.585 1.00 0.00 H new ATOM 669 N SER A 83 -4.931 -6.217 -10.197 1.00 0.00 N ATOM 670 CA SER A 83 -4.419 -5.900 -11.525 1.00 0.00 C ATOM 671 C SER A 83 -2.956 -6.312 -11.656 1.00 0.00 C ATOM 672 O SER A 83 -2.172 -6.166 -10.717 1.00 0.00 O ATOM 673 CB SER A 83 -4.566 -4.403 -11.807 1.00 0.00 C ATOM 674 OG SER A 83 -5.848 -4.107 -12.335 1.00 0.00 O ATOM 0 H SER A 83 -4.319 -5.938 -9.431 1.00 0.00 H new ATOM 0 HA SER A 83 -5.003 -6.460 -12.256 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.409 -3.839 -10.887 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.797 -4.085 -12.511 1.00 0.00 H new ATOM 0 HG SER A 83 -5.917 -3.144 -12.505 1.00 0.00 H new ATOM 680 N ARG A 84 -2.595 -6.827 -12.826 1.00 0.00 N ATOM 681 CA ARG A 84 -1.227 -7.262 -13.080 1.00 0.00 C ATOM 682 C ARG A 84 -0.405 -6.137 -13.701 1.00 0.00 C ATOM 683 O ARG A 84 0.823 -6.131 -13.616 1.00 0.00 O ATOM 684 CB ARG A 84 -1.220 -8.482 -14.003 1.00 0.00 C ATOM 685 CG ARG A 84 -1.574 -9.781 -13.298 1.00 0.00 C ATOM 686 CD ARG A 84 -2.190 -10.787 -14.259 1.00 0.00 C ATOM 687 NE ARG A 84 -3.028 -11.762 -13.567 1.00 0.00 N ATOM 688 CZ ARG A 84 -3.625 -12.781 -14.176 1.00 0.00 C ATOM 689 NH1 ARG A 84 -3.476 -12.957 -15.481 1.00 0.00 N ATOM 690 NH2 ARG A 84 -4.372 -13.627 -13.478 1.00 0.00 N ATOM 0 H ARG A 84 -3.231 -6.953 -13.613 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.776 -7.534 -12.126 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.926 -8.316 -14.816 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.232 -8.580 -14.454 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.678 -10.208 -12.848 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.272 -9.577 -12.486 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.787 -10.259 -15.003 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.397 -11.307 -14.797 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.162 -11.655 -12.562 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.902 -12.309 -16.021 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.935 -13.740 -15.946 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.488 -13.495 -12.473 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.830 -14.409 -13.946 1.00 0.00 H new ATOM 704 N SER A 85 -1.091 -5.186 -14.328 1.00 0.00 N ATOM 705 CA SER A 85 -0.425 -4.057 -14.967 1.00 0.00 C ATOM 706 C SER A 85 -0.552 -2.798 -14.116 1.00 0.00 C ATOM 707 O SER A 85 0.441 -2.132 -13.818 1.00 0.00 O ATOM 708 CB SER A 85 -1.016 -3.809 -16.356 1.00 0.00 C ATOM 709 OG SER A 85 -2.377 -3.426 -16.270 1.00 0.00 O ATOM 0 H SER A 85 -2.108 -5.175 -14.407 1.00 0.00 H new ATOM 0 HA SER A 85 0.633 -4.301 -15.068 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.447 -3.030 -16.863 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.927 -4.712 -16.959 1.00 0.00 H new ATOM 0 HG SER A 85 -2.731 -3.272 -17.171 1.00 0.00 H new ATOM 715 N LYS A 86 -1.780 -2.476 -13.726 1.00 0.00 N ATOM 716 CA LYS A 86 -2.040 -1.298 -12.907 1.00 0.00 C ATOM 717 C LYS A 86 -1.434 -1.457 -11.517 1.00 0.00 C ATOM 718 O LYS A 86 -0.407 -0.855 -11.203 1.00 0.00 O ATOM 719 CB LYS A 86 -3.547 -1.052 -12.794 1.00 0.00 C ATOM 720 CG LYS A 86 -4.104 -0.170 -13.897 1.00 0.00 C ATOM 721 CD LYS A 86 -3.867 1.303 -13.607 1.00 0.00 C ATOM 722 CE LYS A 86 -4.359 2.182 -14.747 1.00 0.00 C ATOM 723 NZ LYS A 86 -3.317 2.370 -15.793 1.00 0.00 N ATOM 0 H LYS A 86 -2.612 -3.015 -13.964 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.574 -0.440 -13.391 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.065 -2.011 -12.811 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.760 -0.591 -11.829 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.638 -0.434 -14.846 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.173 -0.353 -14.005 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.379 1.580 -12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.803 1.477 -13.445 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.246 1.733 -15.195 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.658 3.154 -14.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.692 2.975 -16.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.480 2.822 -15.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.050 1.445 -16.187 1.00 0.00 H new ATOM 737 N THR A 87 -2.076 -2.273 -10.686 1.00 0.00 N ATOM 738 CA THR A 87 -1.600 -2.512 -9.329 1.00 0.00 C ATOM 739 C THR A 87 -0.114 -2.850 -9.320 1.00 0.00 C ATOM 740 O THR A 87 0.353 -3.667 -10.115 1.00 0.00 O ATOM 741 CB THR A 87 -2.380 -3.655 -8.653 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.786 -3.387 -8.706 1.00 0.00 O ATOM 743 CG2 THR A 87 -1.945 -3.825 -7.206 1.00 0.00 C ATOM 0 H THR A 87 -2.927 -2.779 -10.929 1.00 0.00 H new ATOM 0 HA THR A 87 -1.764 -1.591 -8.769 1.00 0.00 H new ATOM 0 HB THR A 87 -2.166 -4.579 -9.191 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.931 -2.436 -8.895 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.510 -4.638 -6.749 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.881 -4.058 -7.171 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.132 -2.901 -6.659 1.00 0.00 H new ATOM 751 N THR A 88 0.626 -2.219 -8.414 1.00 0.00 N ATOM 752 CA THR A 88 2.060 -2.453 -8.301 1.00 0.00 C ATOM 753 C THR A 88 2.368 -3.462 -7.200 1.00 0.00 C ATOM 754 O THR A 88 3.192 -4.360 -7.379 1.00 0.00 O ATOM 755 CB THR A 88 2.822 -1.146 -8.010 1.00 0.00 C ATOM 756 OG1 THR A 88 2.300 -0.527 -6.829 1.00 0.00 O ATOM 757 CG2 THR A 88 2.713 -0.184 -9.184 1.00 0.00 C ATOM 0 H THR A 88 0.256 -1.542 -7.747 1.00 0.00 H new ATOM 0 HA THR A 88 2.391 -2.852 -9.260 1.00 0.00 H new ATOM 0 HB THR A 88 3.873 -1.390 -7.857 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.951 -0.610 -6.101 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.259 0.732 -8.956 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.138 -0.647 -10.075 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.664 0.054 -9.364 1.00 0.00 H new ATOM 765 N HIS A 89 1.699 -3.311 -6.061 1.00 0.00 N ATOM 766 CA HIS A 89 1.900 -4.211 -4.931 1.00 0.00 C ATOM 767 C HIS A 89 0.566 -4.742 -4.416 1.00 0.00 C ATOM 768 O HIS A 89 -0.496 -4.230 -4.772 1.00 0.00 O ATOM 769 CB HIS A 89 2.646 -3.492 -3.806 1.00 0.00 C ATOM 770 CG HIS A 89 3.922 -2.847 -4.250 1.00 0.00 C ATOM 771 ND1 HIS A 89 3.964 -1.643 -4.921 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.209 -3.245 -4.113 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.221 -1.329 -5.180 1.00 0.00 C ATOM 774 NE2 HIS A 89 5.996 -2.284 -4.700 1.00 0.00 N ATOM 0 H HIS A 89 1.013 -2.574 -5.896 1.00 0.00 H new ATOM 0 HA HIS A 89 2.499 -5.055 -5.272 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.994 -2.731 -3.377 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.867 -4.206 -3.013 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.553 -4.149 -3.632 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.557 -0.442 -5.696 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.014 -2.305 -4.756 1.00 0.00 H new ATOM 782 N ILE A 90 0.629 -5.770 -3.577 1.00 0.00 N ATOM 783 CA ILE A 90 -0.574 -6.370 -3.013 1.00 0.00 C ATOM 784 C ILE A 90 -0.499 -6.426 -1.491 1.00 0.00 C ATOM 785 O ILE A 90 0.328 -7.144 -0.926 1.00 0.00 O ATOM 786 CB ILE A 90 -0.802 -7.792 -3.557 1.00 0.00 C ATOM 787 CG1 ILE A 90 -0.867 -7.773 -5.085 1.00 0.00 C ATOM 788 CG2 ILE A 90 -2.078 -8.384 -2.975 1.00 0.00 C ATOM 789 CD1 ILE A 90 -0.857 -9.152 -5.708 1.00 0.00 C ATOM 0 H ILE A 90 1.500 -6.205 -3.273 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.411 -5.738 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 90 0.037 -8.419 -3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.771 -7.250 -5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.021 -7.203 -5.469 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.225 -9.389 -3.369 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.996 -8.428 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.927 -7.759 -3.250 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.905 -9.061 -6.793 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.059 -9.671 -5.428 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.718 -9.718 -5.353 1.00 0.00 H new ATOM 801 N ILE A 91 -1.367 -5.666 -0.832 1.00 0.00 N ATOM 802 CA ILE A 91 -1.401 -5.631 0.624 1.00 0.00 C ATOM 803 C ILE A 91 -2.204 -6.800 1.184 1.00 0.00 C ATOM 804 O ILE A 91 -3.328 -7.056 0.754 1.00 0.00 O ATOM 805 CB ILE A 91 -2.005 -4.313 1.143 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.229 -3.117 0.587 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.004 -4.291 2.664 1.00 0.00 C ATOM 808 CD1 ILE A 91 0.187 -3.021 1.109 1.00 0.00 C ATOM 0 H ILE A 91 -2.057 -5.066 -1.284 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.368 -5.706 0.964 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.037 -4.244 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.203 -3.185 -0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.763 -2.200 0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.434 -3.353 3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.597 -5.125 3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.981 -4.380 3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.677 -2.151 0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.169 -2.922 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.737 -3.922 0.836 1.00 0.00 H new ATOM 820 N ALA A 92 -1.619 -7.506 2.146 1.00 0.00 N ATOM 821 CA ALA A 92 -2.282 -8.646 2.767 1.00 0.00 C ATOM 822 C ALA A 92 -1.528 -9.110 4.009 1.00 0.00 C ATOM 823 O ALA A 92 -0.320 -9.346 3.963 1.00 0.00 O ATOM 824 CB ALA A 92 -2.414 -9.788 1.770 1.00 0.00 C ATOM 0 H ALA A 92 -0.688 -7.309 2.512 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.279 -8.331 3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.911 -10.632 2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.002 -9.458 0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.423 -10.093 1.433 1.00 0.00 H new ATOM 830 N THR A 93 -2.248 -9.239 5.119 1.00 0.00 N ATOM 831 CA THR A 93 -1.646 -9.673 6.374 1.00 0.00 C ATOM 832 C THR A 93 -1.334 -11.165 6.347 1.00 0.00 C ATOM 833 O THR A 93 -0.210 -11.579 6.628 1.00 0.00 O ATOM 834 CB THR A 93 -2.567 -9.374 7.572 1.00 0.00 C ATOM 835 OG1 THR A 93 -3.022 -8.018 7.514 1.00 0.00 O ATOM 836 CG2 THR A 93 -1.841 -9.615 8.886 1.00 0.00 C ATOM 0 H THR A 93 -3.249 -9.049 5.175 1.00 0.00 H new ATOM 0 HA THR A 93 -0.718 -9.113 6.490 1.00 0.00 H new ATOM 0 HB THR A 93 -3.423 -10.046 7.520 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.178 -7.686 8.423 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.511 -9.397 9.717 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.522 -10.656 8.940 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.968 -8.965 8.944 1.00 0.00 H new ATOM 844 N ASN A 94 -2.336 -11.969 6.006 1.00 0.00 N ATOM 845 CA ASN A 94 -2.168 -13.416 5.943 1.00 0.00 C ATOM 846 C ASN A 94 -3.095 -14.026 4.895 1.00 0.00 C ATOM 847 O ASN A 94 -4.231 -13.582 4.721 1.00 0.00 O ATOM 848 CB ASN A 94 -2.444 -14.043 7.311 1.00 0.00 C ATOM 849 CG ASN A 94 -3.911 -14.372 7.510 1.00 0.00 C ATOM 850 OD1 ASN A 94 -4.427 -15.332 6.936 1.00 0.00 O ATOM 851 ND2 ASN A 94 -4.591 -13.576 8.327 1.00 0.00 N ATOM 0 H ASN A 94 -3.273 -11.643 5.769 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.137 -13.625 5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.853 -14.953 7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.118 -13.358 8.094 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -5.581 -13.749 8.500 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -4.123 -12.792 8.782 1.00 0.00 H new ATOM 858 N LEU A 95 -2.602 -15.045 4.199 1.00 0.00 N ATOM 859 CA LEU A 95 -3.386 -15.717 3.169 1.00 0.00 C ATOM 860 C LEU A 95 -3.278 -17.232 3.305 1.00 0.00 C ATOM 861 O LEU A 95 -2.232 -17.776 3.660 1.00 0.00 O ATOM 862 CB LEU A 95 -2.915 -15.283 1.779 1.00 0.00 C ATOM 863 CG LEU A 95 -3.333 -13.881 1.336 1.00 0.00 C ATOM 864 CD1 LEU A 95 -2.305 -13.294 0.382 1.00 0.00 C ATOM 865 CD2 LEU A 95 -4.709 -13.915 0.686 1.00 0.00 C ATOM 0 H LEU A 95 -1.664 -15.423 4.329 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.430 -15.433 3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.827 -15.342 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.291 -16.000 1.050 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.386 -13.243 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.620 -12.296 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.338 -13.233 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.219 -13.932 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.990 -12.908 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.683 -14.569 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.440 -14.293 1.401 1.00 0.00 H new ATOM 877 N PRO A 96 -4.384 -17.933 3.013 1.00 0.00 N ATOM 878 CA PRO A 96 -4.439 -19.395 3.093 1.00 0.00 C ATOM 879 C PRO A 96 -3.609 -20.067 2.004 1.00 0.00 C ATOM 880 O PRO A 96 -3.312 -19.462 0.975 1.00 0.00 O ATOM 881 CB PRO A 96 -5.926 -19.706 2.899 1.00 0.00 C ATOM 882 CG PRO A 96 -6.458 -18.547 2.129 1.00 0.00 C ATOM 883 CD PRO A 96 -5.667 -17.351 2.582 1.00 0.00 C ATOM 0 HA PRO A 96 -4.030 -19.767 4.033 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.067 -20.640 2.356 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.436 -19.813 3.856 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.345 -18.706 1.057 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.522 -18.407 2.320 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -5.531 -16.631 1.775 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.164 -16.826 3.398 1.00 0.00 H new ATOM 891 N ASN A 97 -3.237 -21.321 2.239 1.00 0.00 N ATOM 892 CA ASN A 97 -2.440 -22.075 1.277 1.00 0.00 C ATOM 893 C ASN A 97 -2.982 -21.895 -0.138 1.00 0.00 C ATOM 894 O ASN A 97 -2.219 -21.745 -1.091 1.00 0.00 O ATOM 895 CB ASN A 97 -2.428 -23.559 1.646 1.00 0.00 C ATOM 896 CG ASN A 97 -3.821 -24.156 1.689 1.00 0.00 C ATOM 897 OD1 ASN A 97 -4.714 -23.629 2.353 1.00 0.00 O ATOM 898 ND2 ASN A 97 -4.013 -25.262 0.980 1.00 0.00 N ATOM 0 H ASN A 97 -3.474 -21.837 3.087 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.420 -21.692 1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.824 -24.106 0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.952 -23.685 2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.930 -25.709 0.971 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.244 -25.664 0.444 1.00 0.00 H new ATOM 905 N ALA A 98 -4.305 -21.912 -0.265 1.00 0.00 N ATOM 906 CA ALA A 98 -4.950 -21.748 -1.562 1.00 0.00 C ATOM 907 C ALA A 98 -4.569 -20.417 -2.200 1.00 0.00 C ATOM 908 O ALA A 98 -3.978 -20.380 -3.280 1.00 0.00 O ATOM 909 CB ALA A 98 -6.461 -21.854 -1.418 1.00 0.00 C ATOM 0 H ALA A 98 -4.951 -22.038 0.514 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.602 -22.547 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.929 -21.730 -2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.720 -22.832 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.818 -21.076 -0.743 1.00 0.00 H new ATOM 915 N LYS A 99 -4.913 -19.324 -1.527 1.00 0.00 N ATOM 916 CA LYS A 99 -4.607 -17.989 -2.028 1.00 0.00 C ATOM 917 C LYS A 99 -3.127 -17.862 -2.372 1.00 0.00 C ATOM 918 O LYS A 99 -2.767 -17.319 -3.417 1.00 0.00 O ATOM 919 CB LYS A 99 -4.992 -16.932 -0.990 1.00 0.00 C ATOM 920 CG LYS A 99 -6.492 -16.765 -0.819 1.00 0.00 C ATOM 921 CD LYS A 99 -7.119 -16.090 -2.028 1.00 0.00 C ATOM 922 CE LYS A 99 -6.842 -14.595 -2.037 1.00 0.00 C ATOM 923 NZ LYS A 99 -7.800 -13.859 -2.908 1.00 0.00 N ATOM 0 H LYS A 99 -5.404 -19.336 -0.633 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.188 -17.828 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.553 -17.202 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.559 -15.975 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.953 -17.741 -0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.694 -16.174 0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.727 -16.539 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.195 -16.262 -2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.905 -14.208 -1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.824 -14.416 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.737 -12.840 -2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.565 -14.032 -3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.767 -14.190 -2.717 1.00 0.00 H new ATOM 937 N ILE A 100 -2.273 -18.368 -1.488 1.00 0.00 N ATOM 938 CA ILE A 100 -0.832 -18.314 -1.701 1.00 0.00 C ATOM 939 C ILE A 100 -0.459 -18.858 -3.076 1.00 0.00 C ATOM 940 O ILE A 100 0.362 -18.275 -3.785 1.00 0.00 O ATOM 941 CB ILE A 100 -0.074 -19.110 -0.623 1.00 0.00 C ATOM 942 CG1 ILE A 100 -0.325 -18.506 0.760 1.00 0.00 C ATOM 943 CG2 ILE A 100 1.416 -19.135 -0.933 1.00 0.00 C ATOM 944 CD1 ILE A 100 -0.028 -19.456 1.898 1.00 0.00 C ATOM 0 H ILE A 100 -2.554 -18.820 -0.618 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.542 -17.265 -1.637 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.443 -20.136 -0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.289 -17.613 0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.366 -18.188 0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.939 -19.701 -0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.578 -19.606 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.800 -18.115 -0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.229 -18.960 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.661 -20.339 1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.020 -19.755 1.859 1.00 0.00 H new ATOM 956 N LYS A 101 -1.067 -19.979 -3.448 1.00 0.00 N ATOM 957 CA LYS A 101 -0.802 -20.602 -4.739 1.00 0.00 C ATOM 958 C LYS A 101 -1.294 -19.718 -5.881 1.00 0.00 C ATOM 959 O LYS A 101 -0.763 -19.769 -6.990 1.00 0.00 O ATOM 960 CB LYS A 101 -1.477 -21.973 -4.815 1.00 0.00 C ATOM 961 CG LYS A 101 -1.032 -22.805 -6.006 1.00 0.00 C ATOM 962 CD LYS A 101 -1.935 -24.010 -6.213 1.00 0.00 C ATOM 963 CE LYS A 101 -1.528 -25.171 -5.319 1.00 0.00 C ATOM 964 NZ LYS A 101 -2.171 -25.090 -3.978 1.00 0.00 N ATOM 0 H LYS A 101 -1.748 -20.475 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 101 0.276 -20.728 -4.839 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.266 -22.524 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.557 -21.835 -4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.036 -22.188 -6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.006 -23.140 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.968 -23.732 -6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.894 -24.321 -7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.802 -26.111 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.444 -25.177 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.440 -25.135 -3.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.692 -24.193 -3.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.831 -25.885 -3.861 1.00 0.00 H new ATOM 978 N GLU A 102 -2.310 -18.908 -5.601 1.00 0.00 N ATOM 979 CA GLU A 102 -2.872 -18.012 -6.605 1.00 0.00 C ATOM 980 C GLU A 102 -1.926 -16.848 -6.886 1.00 0.00 C ATOM 981 O GLU A 102 -1.873 -16.332 -8.003 1.00 0.00 O ATOM 982 CB GLU A 102 -4.230 -17.480 -6.144 1.00 0.00 C ATOM 983 CG GLU A 102 -5.014 -16.781 -7.241 1.00 0.00 C ATOM 984 CD GLU A 102 -4.898 -17.483 -8.580 1.00 0.00 C ATOM 985 OE1 GLU A 102 -5.540 -18.540 -8.754 1.00 0.00 O ATOM 986 OE2 GLU A 102 -4.164 -16.976 -9.454 1.00 0.00 O ATOM 0 H GLU A 102 -2.761 -18.854 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.006 -18.579 -7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.823 -18.309 -5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.077 -16.785 -5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.064 -16.727 -6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.657 -15.756 -7.340 1.00 0.00 H new ATOM 993 N LEU A 103 -1.181 -16.440 -5.865 1.00 0.00 N ATOM 994 CA LEU A 103 -0.236 -15.336 -6.001 1.00 0.00 C ATOM 995 C LEU A 103 1.202 -15.840 -5.939 1.00 0.00 C ATOM 996 O LEU A 103 1.999 -15.377 -5.122 1.00 0.00 O ATOM 997 CB LEU A 103 -0.473 -14.298 -4.902 1.00 0.00 C ATOM 998 CG LEU A 103 -1.912 -13.807 -4.742 1.00 0.00 C ATOM 999 CD1 LEU A 103 -2.063 -13.007 -3.457 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -2.328 -12.972 -5.944 1.00 0.00 C ATOM 0 H LEU A 103 -1.212 -16.856 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.396 -14.870 -6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.148 -14.723 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.164 -13.436 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.568 -14.676 -4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.094 -12.666 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.807 -13.636 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.396 -12.145 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.355 -12.631 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.668 -12.109 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.259 -13.577 -6.848 1.00 0.00 H new ATOM 1012 N LYS A 104 1.529 -16.789 -6.809 1.00 0.00 N ATOM 1013 CA LYS A 104 2.873 -17.354 -6.857 1.00 0.00 C ATOM 1014 C LYS A 104 3.796 -16.490 -7.711 1.00 0.00 C ATOM 1015 O LYS A 104 3.918 -16.699 -8.917 1.00 0.00 O ATOM 1016 CB LYS A 104 2.829 -18.778 -7.415 1.00 0.00 C ATOM 1017 CG LYS A 104 4.034 -19.619 -7.029 1.00 0.00 C ATOM 1018 CD LYS A 104 3.811 -21.089 -7.343 1.00 0.00 C ATOM 1019 CE LYS A 104 4.928 -21.954 -6.780 1.00 0.00 C ATOM 1020 NZ LYS A 104 4.493 -23.366 -6.589 1.00 0.00 N ATOM 0 H LYS A 104 0.881 -17.184 -7.491 1.00 0.00 H new ATOM 0 HA LYS A 104 3.266 -17.380 -5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 104 1.924 -19.271 -7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.762 -18.732 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.915 -19.261 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.236 -19.500 -5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.856 -21.410 -6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.751 -21.227 -8.423 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.784 -21.926 -7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.259 -21.544 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.282 -23.923 -6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.692 -23.396 -5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.201 -23.766 -7.503 1.00 0.00 H new ATOM 1034 N GLY A 105 4.446 -15.519 -7.076 1.00 0.00 N ATOM 1035 CA GLY A 105 5.351 -14.640 -7.793 1.00 0.00 C ATOM 1036 C GLY A 105 5.168 -13.184 -7.412 1.00 0.00 C ATOM 1037 O GLY A 105 6.141 -12.441 -7.291 1.00 0.00 O ATOM 0 H GLY A 105 4.362 -15.326 -6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.379 -14.939 -7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.191 -14.755 -8.865 1.00 0.00 H new ATOM 1041 N GLU A 106 3.917 -12.776 -7.223 1.00 0.00 N ATOM 1042 CA GLU A 106 3.611 -11.398 -6.856 1.00 0.00 C ATOM 1043 C GLU A 106 4.413 -10.971 -5.630 1.00 0.00 C ATOM 1044 O GLU A 106 5.113 -11.779 -5.019 1.00 0.00 O ATOM 1045 CB GLU A 106 2.114 -11.241 -6.580 1.00 0.00 C ATOM 1046 CG GLU A 106 1.286 -11.002 -7.831 1.00 0.00 C ATOM 1047 CD GLU A 106 1.674 -9.725 -8.552 1.00 0.00 C ATOM 1048 OE1 GLU A 106 1.244 -8.640 -8.109 1.00 0.00 O ATOM 1049 OE2 GLU A 106 2.407 -9.812 -9.559 1.00 0.00 O ATOM 0 H GLU A 106 3.100 -13.379 -7.318 1.00 0.00 H new ATOM 0 HA GLU A 106 3.888 -10.756 -7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.750 -12.138 -6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.965 -10.409 -5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.405 -11.848 -8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.231 -10.956 -7.561 1.00 0.00 H new ATOM 1056 N LYS A 107 4.306 -9.695 -5.276 1.00 0.00 N ATOM 1057 CA LYS A 107 5.019 -9.158 -4.123 1.00 0.00 C ATOM 1058 C LYS A 107 4.046 -8.761 -3.017 1.00 0.00 C ATOM 1059 O LYS A 107 3.622 -7.608 -2.935 1.00 0.00 O ATOM 1060 CB LYS A 107 5.860 -7.948 -4.536 1.00 0.00 C ATOM 1061 CG LYS A 107 7.057 -8.305 -5.400 1.00 0.00 C ATOM 1062 CD LYS A 107 8.192 -7.311 -5.219 1.00 0.00 C ATOM 1063 CE LYS A 107 9.207 -7.413 -6.347 1.00 0.00 C ATOM 1064 NZ LYS A 107 10.217 -8.476 -6.089 1.00 0.00 N ATOM 0 H LYS A 107 3.732 -9.013 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 107 5.678 -9.937 -3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.228 -7.245 -5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.210 -7.436 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.405 -9.306 -5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.757 -8.329 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.788 -6.299 -5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.687 -7.492 -4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.690 -7.623 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.712 -6.455 -6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.891 -8.514 -6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.728 -8.263 -5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.738 -9.395 -5.997 1.00 0.00 H new ATOM 1078 N VAL A 108 3.697 -9.722 -2.169 1.00 0.00 N ATOM 1079 CA VAL A 108 2.776 -9.472 -1.066 1.00 0.00 C ATOM 1080 C VAL A 108 3.460 -8.701 0.057 1.00 0.00 C ATOM 1081 O VAL A 108 4.463 -9.152 0.612 1.00 0.00 O ATOM 1082 CB VAL A 108 2.208 -10.787 -0.500 1.00 0.00 C ATOM 1083 CG1 VAL A 108 1.157 -10.501 0.562 1.00 0.00 C ATOM 1084 CG2 VAL A 108 1.630 -11.642 -1.617 1.00 0.00 C ATOM 0 H VAL A 108 4.038 -10.682 -2.224 1.00 0.00 H new ATOM 0 HA VAL A 108 1.957 -8.874 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 108 3.021 -11.342 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.767 -11.442 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.607 -9.931 1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.343 -9.925 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.233 -12.567 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.829 -11.096 -2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.413 -11.876 -2.338 1.00 0.00 H new ATOM 1094 N ILE A 109 2.911 -7.537 0.388 1.00 0.00 N ATOM 1095 CA ILE A 109 3.468 -6.704 1.447 1.00 0.00 C ATOM 1096 C ILE A 109 2.458 -6.497 2.571 1.00 0.00 C ATOM 1097 O ILE A 109 1.265 -6.325 2.323 1.00 0.00 O ATOM 1098 CB ILE A 109 3.910 -5.331 0.909 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.744 -5.501 -0.363 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.698 -4.575 1.969 1.00 0.00 C ATOM 1101 CD1 ILE A 109 6.028 -6.271 -0.144 1.00 0.00 C ATOM 0 H ILE A 109 2.081 -7.149 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 109 4.340 -7.229 1.837 1.00 0.00 H new ATOM 0 HB ILE A 109 3.021 -4.751 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.145 -6.015 -1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.984 -4.517 -0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.003 -3.606 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.073 -4.427 2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.582 -5.150 2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.568 -6.353 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.647 -5.747 0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.795 -7.268 0.229 1.00 0.00 H new ATOM 1113 N ARG A 110 2.946 -6.513 3.807 1.00 0.00 N ATOM 1114 CA ARG A 110 2.087 -6.325 4.970 1.00 0.00 C ATOM 1115 C ARG A 110 1.509 -4.913 4.997 1.00 0.00 C ATOM 1116 O ARG A 110 2.102 -3.963 4.486 1.00 0.00 O ATOM 1117 CB ARG A 110 2.869 -6.593 6.257 1.00 0.00 C ATOM 1118 CG ARG A 110 3.312 -8.039 6.411 1.00 0.00 C ATOM 1119 CD ARG A 110 3.672 -8.360 7.853 1.00 0.00 C ATOM 1120 NE ARG A 110 4.616 -9.470 7.947 1.00 0.00 N ATOM 1121 CZ ARG A 110 5.038 -9.980 9.099 1.00 0.00 C ATOM 1122 NH1 ARG A 110 4.602 -9.482 10.248 1.00 0.00 N ATOM 1123 NH2 ARG A 110 5.899 -10.991 9.103 1.00 0.00 N ATOM 0 H ARG A 110 3.932 -6.654 4.029 1.00 0.00 H new ATOM 0 HA ARG A 110 1.263 -7.035 4.900 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.748 -5.948 6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.251 -6.318 7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.514 -8.703 6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.173 -8.227 5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.103 -7.477 8.324 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.766 -8.607 8.407 1.00 0.00 H new ATOM 0 HE ARG A 110 4.971 -9.876 7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.941 -8.705 10.249 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.928 -9.876 11.131 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.237 -11.377 8.221 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.222 -11.382 9.988 1.00 0.00 H new ATOM 1137 N PRO A 111 0.323 -4.771 5.607 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.361 -3.479 5.715 1.00 0.00 C ATOM 1139 C PRO A 111 0.352 -2.523 6.665 1.00 0.00 C ATOM 1140 O PRO A 111 -0.047 -1.369 6.814 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.739 -3.852 6.268 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.522 -5.135 6.993 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.442 -5.860 6.238 1.00 0.00 C ATOM 0 HA PRO A 111 -0.397 -2.956 4.759 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.120 -3.079 6.936 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.469 -3.969 5.467 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.222 -4.954 8.025 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.438 -5.725 7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.182 -6.457 6.903 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.858 -6.541 5.496 1.00 0.00 H new ATOM 1151 N GLU A 112 1.410 -3.012 7.306 1.00 0.00 N ATOM 1152 CA GLU A 112 2.178 -2.200 8.242 1.00 0.00 C ATOM 1153 C GLU A 112 3.207 -1.347 7.505 1.00 0.00 C ATOM 1154 O GLU A 112 3.538 -0.244 7.939 1.00 0.00 O ATOM 1155 CB GLU A 112 2.880 -3.092 9.269 1.00 0.00 C ATOM 1156 CG GLU A 112 1.983 -3.516 10.420 1.00 0.00 C ATOM 1157 CD GLU A 112 1.969 -2.506 11.551 1.00 0.00 C ATOM 1158 OE1 GLU A 112 1.730 -1.312 11.276 1.00 0.00 O ATOM 1159 OE2 GLU A 112 2.196 -2.910 12.710 1.00 0.00 O ATOM 0 H GLU A 112 1.754 -3.966 7.194 1.00 0.00 H new ATOM 0 HA GLU A 112 1.486 -1.537 8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.258 -3.982 8.767 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.744 -2.561 9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.967 -3.657 10.051 1.00 0.00 H new ATOM 0 HG3 GLU A 112 2.320 -4.480 10.802 1.00 0.00 H new ATOM 1166 N TRP A 113 3.707 -1.867 6.391 1.00 0.00 N ATOM 1167 CA TRP A 113 4.699 -1.154 5.594 1.00 0.00 C ATOM 1168 C TRP A 113 4.244 0.273 5.307 1.00 0.00 C ATOM 1169 O TRP A 113 5.062 1.187 5.210 1.00 0.00 O ATOM 1170 CB TRP A 113 4.956 -1.894 4.280 1.00 0.00 C ATOM 1171 CG TRP A 113 5.654 -1.056 3.252 1.00 0.00 C ATOM 1172 CD1 TRP A 113 6.904 -0.514 3.349 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.142 -0.663 1.975 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.200 0.192 2.208 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.136 0.115 1.349 1.00 0.00 C ATOM 1176 CE3 TRP A 113 3.942 -0.894 1.297 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 5.963 0.663 0.081 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 3.772 -0.350 0.038 1.00 0.00 C ATOM 1179 CH2 TRP A 113 4.778 0.421 -0.560 1.00 0.00 C ATOM 0 H TRP A 113 3.443 -2.779 6.019 1.00 0.00 H new ATOM 0 HA TRP A 113 5.626 -1.112 6.167 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.555 -2.781 4.483 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.005 -2.238 3.873 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.563 -0.624 4.198 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.071 0.692 2.030 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.161 -1.487 1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 6.737 1.258 -0.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 2.848 -0.522 -0.494 1.00 0.00 H new ATOM 0 HH2 TRP A 113 4.615 0.832 -1.545 1.00 0.00 H new ATOM 1190 N ILE A 114 2.935 0.455 5.172 1.00 0.00 N ATOM 1191 CA ILE A 114 2.372 1.772 4.898 1.00 0.00 C ATOM 1192 C ILE A 114 2.093 2.530 6.191 1.00 0.00 C ATOM 1193 O ILE A 114 2.677 3.584 6.444 1.00 0.00 O ATOM 1194 CB ILE A 114 1.068 1.668 4.085 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.318 0.925 2.771 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.499 3.054 3.817 1.00 0.00 C ATOM 1197 CD1 ILE A 114 0.061 0.362 2.147 1.00 0.00 C ATOM 0 H ILE A 114 2.245 -0.292 5.248 1.00 0.00 H new ATOM 0 HA ILE A 114 3.113 2.317 4.313 1.00 0.00 H new ATOM 0 HB ILE A 114 0.339 1.103 4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.792 1.605 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.020 0.111 2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.422 2.964 3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.288 3.550 4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.223 3.642 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.314 -0.151 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.403 -0.343 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.635 1.174 1.935 1.00 0.00 H new ATOM 1209 N VAL A 115 1.196 1.987 7.008 1.00 0.00 N ATOM 1210 CA VAL A 115 0.841 2.610 8.277 1.00 0.00 C ATOM 1211 C VAL A 115 2.063 3.228 8.947 1.00 0.00 C ATOM 1212 O VAL A 115 1.967 4.268 9.598 1.00 0.00 O ATOM 1213 CB VAL A 115 0.200 1.595 9.242 1.00 0.00 C ATOM 1214 CG1 VAL A 115 -0.148 2.260 10.565 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -1.034 0.967 8.611 1.00 0.00 C ATOM 0 H VAL A 115 0.702 1.116 6.813 1.00 0.00 H new ATOM 0 HA VAL A 115 0.117 3.394 8.052 1.00 0.00 H new ATOM 0 HB VAL A 115 0.922 0.803 9.441 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.600 1.527 11.233 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.758 2.657 11.022 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.852 3.073 10.389 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.474 0.252 9.306 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.761 1.746 8.381 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.751 0.453 7.693 1.00 0.00 H new ATOM 1225 N GLU A 116 3.213 2.581 8.781 1.00 0.00 N ATOM 1226 CA GLU A 116 4.455 3.068 9.370 1.00 0.00 C ATOM 1227 C GLU A 116 5.032 4.218 8.550 1.00 0.00 C ATOM 1228 O GLU A 116 5.479 5.224 9.100 1.00 0.00 O ATOM 1229 CB GLU A 116 5.477 1.934 9.469 1.00 0.00 C ATOM 1230 CG GLU A 116 5.068 0.828 10.427 1.00 0.00 C ATOM 1231 CD GLU A 116 5.553 1.073 11.843 1.00 0.00 C ATOM 1232 OE1 GLU A 116 4.838 1.756 12.606 1.00 0.00 O ATOM 1233 OE2 GLU A 116 6.648 0.581 12.188 1.00 0.00 O ATOM 0 H GLU A 116 3.310 1.719 8.244 1.00 0.00 H new ATOM 0 HA GLU A 116 4.233 3.435 10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.630 1.507 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.434 2.346 9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.982 0.738 10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.466 -0.122 10.070 1.00 0.00 H new ATOM 1240 N SER A 117 5.019 4.061 7.230 1.00 0.00 N ATOM 1241 CA SER A 117 5.544 5.083 6.333 1.00 0.00 C ATOM 1242 C SER A 117 4.818 6.410 6.536 1.00 0.00 C ATOM 1243 O SER A 117 5.423 7.479 6.456 1.00 0.00 O ATOM 1244 CB SER A 117 5.409 4.633 4.877 1.00 0.00 C ATOM 1245 OG SER A 117 6.195 3.481 4.625 1.00 0.00 O ATOM 0 H SER A 117 4.650 3.235 6.758 1.00 0.00 H new ATOM 0 HA SER A 117 6.599 5.227 6.565 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.364 4.420 4.654 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.718 5.440 4.213 1.00 0.00 H new ATOM 0 HG SER A 117 5.640 2.679 4.722 1.00 0.00 H new ATOM 1251 N ILE A 118 3.518 6.331 6.800 1.00 0.00 N ATOM 1252 CA ILE A 118 2.710 7.524 7.015 1.00 0.00 C ATOM 1253 C ILE A 118 3.041 8.179 8.352 1.00 0.00 C ATOM 1254 O ILE A 118 3.385 9.359 8.410 1.00 0.00 O ATOM 1255 CB ILE A 118 1.205 7.199 6.974 1.00 0.00 C ATOM 1256 CG1 ILE A 118 0.824 6.612 5.614 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.385 8.447 7.267 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.388 5.709 5.663 1.00 0.00 C ATOM 0 H ILE A 118 3.003 5.454 6.870 1.00 0.00 H new ATOM 0 HA ILE A 118 2.947 8.215 6.206 1.00 0.00 H new ATOM 0 HB ILE A 118 0.988 6.457 7.742 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.631 7.427 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.670 6.049 5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.676 8.201 7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.639 8.825 8.257 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.604 9.210 6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.599 5.329 4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.192 4.873 6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.247 6.273 6.026 1.00 0.00 H new ATOM 1270 N LYS A 119 2.937 7.403 9.426 1.00 0.00 N ATOM 1271 CA LYS A 119 3.228 7.905 10.764 1.00 0.00 C ATOM 1272 C LYS A 119 4.639 8.481 10.833 1.00 0.00 C ATOM 1273 O LYS A 119 4.852 9.557 11.391 1.00 0.00 O ATOM 1274 CB LYS A 119 3.072 6.785 11.796 1.00 0.00 C ATOM 1275 CG LYS A 119 1.629 6.373 12.032 1.00 0.00 C ATOM 1276 CD LYS A 119 1.530 4.926 12.485 1.00 0.00 C ATOM 1277 CE LYS A 119 1.931 4.771 13.944 1.00 0.00 C ATOM 1278 NZ LYS A 119 0.827 5.154 14.867 1.00 0.00 N ATOM 0 H LYS A 119 2.653 6.424 9.396 1.00 0.00 H new ATOM 0 HA LYS A 119 2.518 8.700 10.990 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.640 5.916 11.465 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.508 7.110 12.741 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.183 7.022 12.785 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.056 6.508 11.115 1.00 0.00 H new ATOM 0 HD2 LYS A 119 0.509 4.569 12.347 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.172 4.304 11.862 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.220 3.737 14.133 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.805 5.389 14.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.140 5.034 15.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.568 6.148 14.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.001 4.548 14.690 1.00 0.00 H new ATOM 1292 N ALA A 120 5.597 7.759 10.263 1.00 0.00 N ATOM 1293 CA ALA A 120 6.986 8.201 10.258 1.00 0.00 C ATOM 1294 C ALA A 120 7.161 9.452 9.404 1.00 0.00 C ATOM 1295 O ALA A 120 7.949 10.337 9.735 1.00 0.00 O ATOM 1296 CB ALA A 120 7.893 7.087 9.756 1.00 0.00 C ATOM 0 H ALA A 120 5.437 6.865 9.798 1.00 0.00 H new ATOM 0 HA ALA A 120 7.266 8.449 11.282 1.00 0.00 H new ATOM 0 HB1 ALA A 120 8.927 7.431 9.758 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.798 6.219 10.408 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.604 6.812 8.742 1.00 0.00 H new ATOM 1302 N GLY A 121 6.420 9.520 8.302 1.00 0.00 N ATOM 1303 CA GLY A 121 6.509 10.667 7.417 1.00 0.00 C ATOM 1304 C GLY A 121 7.517 10.464 6.304 1.00 0.00 C ATOM 1305 O GLY A 121 8.152 11.417 5.852 1.00 0.00 O ATOM 0 H GLY A 121 5.760 8.801 8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.529 10.864 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.785 11.548 7.996 1.00 0.00 H new ATOM 1309 N ARG A 122 7.667 9.219 5.863 1.00 0.00 N ATOM 1310 CA ARG A 122 8.608 8.894 4.798 1.00 0.00 C ATOM 1311 C ARG A 122 8.405 7.462 4.312 1.00 0.00 C ATOM 1312 O ARG A 122 8.023 6.581 5.083 1.00 0.00 O ATOM 1313 CB ARG A 122 10.046 9.080 5.285 1.00 0.00 C ATOM 1314 CG ARG A 122 10.362 8.313 6.559 1.00 0.00 C ATOM 1315 CD ARG A 122 11.861 8.135 6.745 1.00 0.00 C ATOM 1316 NE ARG A 122 12.458 9.253 7.472 1.00 0.00 N ATOM 1317 CZ ARG A 122 12.852 10.380 6.891 1.00 0.00 C ATOM 1318 NH1 ARG A 122 12.712 10.540 5.582 1.00 0.00 N ATOM 1319 NH2 ARG A 122 13.386 11.352 7.620 1.00 0.00 N ATOM 0 H ARG A 122 7.149 8.419 6.227 1.00 0.00 H new ATOM 0 HA ARG A 122 8.424 9.572 3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.731 8.761 4.499 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.229 10.141 5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.948 8.844 7.417 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.880 7.336 6.526 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.052 7.208 7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.339 8.040 5.770 1.00 0.00 H new ATOM 0 HE ARG A 122 12.579 9.163 8.481 1.00 0.00 H new ATOM 0 HH11 ARG A 122 12.301 9.796 5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 122 13.016 11.407 5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.494 11.234 8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 122 13.688 12.217 7.173 1.00 0.00 H new ATOM 1333 N LEU A 123 8.663 7.237 3.028 1.00 0.00 N ATOM 1334 CA LEU A 123 8.509 5.912 2.438 1.00 0.00 C ATOM 1335 C LEU A 123 9.581 4.958 2.954 1.00 0.00 C ATOM 1336 O LEU A 123 10.777 5.230 2.840 1.00 0.00 O ATOM 1337 CB LEU A 123 8.580 6.000 0.912 1.00 0.00 C ATOM 1338 CG LEU A 123 8.021 4.802 0.144 1.00 0.00 C ATOM 1339 CD1 LEU A 123 6.516 4.698 0.340 1.00 0.00 C ATOM 1340 CD2 LEU A 123 8.362 4.911 -1.335 1.00 0.00 C ATOM 0 H LEU A 123 8.980 7.955 2.376 1.00 0.00 H new ATOM 0 HA LEU A 123 7.533 5.523 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.042 6.893 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.622 6.136 0.624 1.00 0.00 H new ATOM 0 HG LEU A 123 8.481 3.895 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.135 3.840 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 123 6.295 4.573 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.038 5.607 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 123 7.956 4.050 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 123 7.929 5.825 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.445 4.936 -1.458 1.00 0.00 H new ATOM 1352 N LEU A 124 9.145 3.838 3.520 1.00 0.00 N ATOM 1353 CA LEU A 124 10.067 2.840 4.052 1.00 0.00 C ATOM 1354 C LEU A 124 10.231 1.676 3.080 1.00 0.00 C ATOM 1355 O LEU A 124 9.567 1.621 2.045 1.00 0.00 O ATOM 1356 CB LEU A 124 9.568 2.325 5.404 1.00 0.00 C ATOM 1357 CG LEU A 124 9.269 3.390 6.459 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.476 2.792 7.611 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.560 4.015 6.967 1.00 0.00 C ATOM 0 H LEU A 124 8.159 3.598 3.622 1.00 0.00 H new ATOM 0 HA LEU A 124 11.039 3.315 4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.661 1.744 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.315 1.642 5.808 1.00 0.00 H new ATOM 0 HG LEU A 124 8.667 4.172 5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.272 3.565 8.352 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.534 2.392 7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.053 1.990 8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.328 4.771 7.717 1.00 0.00 H new ATOM 0 HD22 LEU A 124 11.188 3.243 7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.091 4.480 6.136 1.00 0.00 H new ATOM 1371 N SER A 125 11.117 0.747 3.422 1.00 0.00 N ATOM 1372 CA SER A 125 11.369 -0.416 2.579 1.00 0.00 C ATOM 1373 C SER A 125 10.297 -1.481 2.787 1.00 0.00 C ATOM 1374 O SER A 125 9.560 -1.451 3.773 1.00 0.00 O ATOM 1375 CB SER A 125 12.751 -1.001 2.880 1.00 0.00 C ATOM 1376 OG SER A 125 13.778 -0.090 2.530 1.00 0.00 O ATOM 0 H SER A 125 11.673 0.777 4.277 1.00 0.00 H new ATOM 0 HA SER A 125 11.338 -0.093 1.538 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.823 -1.245 3.940 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.883 -1.932 2.329 1.00 0.00 H new ATOM 0 HG SER A 125 14.651 -0.487 2.734 1.00 0.00 H new ATOM 1382 N TYR A 126 10.216 -2.420 1.852 1.00 0.00 N ATOM 1383 CA TYR A 126 9.233 -3.494 1.930 1.00 0.00 C ATOM 1384 C TYR A 126 9.915 -4.844 2.131 1.00 0.00 C ATOM 1385 O TYR A 126 9.316 -5.782 2.657 1.00 0.00 O ATOM 1386 CB TYR A 126 8.378 -3.525 0.662 1.00 0.00 C ATOM 1387 CG TYR A 126 9.150 -3.916 -0.578 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.584 -5.222 -0.767 1.00 0.00 C ATOM 1389 CD2 TYR A 126 9.444 -2.979 -1.561 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.290 -5.584 -1.898 1.00 0.00 C ATOM 1391 CE2 TYR A 126 10.148 -3.332 -2.696 1.00 0.00 C ATOM 1392 CZ TYR A 126 10.569 -4.636 -2.860 1.00 0.00 C ATOM 1393 OH TYR A 126 11.272 -4.991 -3.989 1.00 0.00 O ATOM 0 H TYR A 126 10.819 -2.460 1.031 1.00 0.00 H new ATOM 0 HA TYR A 126 8.590 -3.301 2.789 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.556 -4.227 0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 126 7.934 -2.541 0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.366 -5.967 -0.017 1.00 0.00 H new ATOM 0 HD2 TYR A 126 9.117 -1.957 -1.436 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.622 -6.604 -2.028 1.00 0.00 H new ATOM 0 HE2 TYR A 126 10.368 -2.592 -3.451 1.00 0.00 H new ATOM 0 HH TYR A 126 11.383 -4.206 -4.566 1.00 0.00 H new ATOM 1403 N ILE A 127 11.171 -4.933 1.708 1.00 0.00 N ATOM 1404 CA ILE A 127 11.936 -6.166 1.842 1.00 0.00 C ATOM 1405 C ILE A 127 11.527 -6.934 3.094 1.00 0.00 C ATOM 1406 O ILE A 127 11.139 -8.101 3.038 1.00 0.00 O ATOM 1407 CB ILE A 127 13.450 -5.887 1.897 1.00 0.00 C ATOM 1408 CG1 ILE A 127 14.022 -5.778 0.482 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.162 -6.979 2.680 1.00 0.00 C ATOM 1410 CD1 ILE A 127 14.065 -4.361 -0.045 1.00 0.00 C ATOM 0 H ILE A 127 11.681 -4.166 1.270 1.00 0.00 H new ATOM 0 HA ILE A 127 11.718 -6.769 0.961 1.00 0.00 H new ATOM 0 HB ILE A 127 13.611 -4.938 2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 127 15.031 -6.191 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 127 13.422 -6.390 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.231 -6.767 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.770 -7.012 3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.996 -7.941 2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.482 -4.360 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 127 13.055 -3.951 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 127 14.689 -3.749 0.606 1.00 0.00 H new ATOM 1422 N PRO A 128 11.612 -6.264 4.253 1.00 0.00 N ATOM 1423 CA PRO A 128 11.252 -6.862 5.542 1.00 0.00 C ATOM 1424 C PRO A 128 9.751 -7.096 5.674 1.00 0.00 C ATOM 1425 O PRO A 128 9.316 -8.078 6.276 1.00 0.00 O ATOM 1426 CB PRO A 128 11.723 -5.821 6.561 1.00 0.00 C ATOM 1427 CG PRO A 128 11.712 -4.531 5.816 1.00 0.00 C ATOM 1428 CD PRO A 128 12.065 -4.870 4.395 1.00 0.00 C ATOM 0 HA PRO A 128 11.705 -7.844 5.676 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.060 -5.785 7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 128 12.720 -6.055 6.934 1.00 0.00 H new ATOM 0 HG2 PRO A 128 10.732 -4.056 5.872 1.00 0.00 H new ATOM 0 HG3 PRO A 128 12.431 -3.830 6.240 1.00 0.00 H new ATOM 0 HD2 PRO A 128 11.562 -4.210 3.688 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.136 -4.775 4.214 1.00 0.00 H new ATOM 1436 N TYR A 129 8.964 -6.188 5.108 1.00 0.00 N ATOM 1437 CA TYR A 129 7.511 -6.294 5.164 1.00 0.00 C ATOM 1438 C TYR A 129 6.985 -7.181 4.040 1.00 0.00 C ATOM 1439 O TYR A 129 5.798 -7.155 3.718 1.00 0.00 O ATOM 1440 CB TYR A 129 6.873 -4.906 5.073 1.00 0.00 C ATOM 1441 CG TYR A 129 7.153 -4.032 6.274 1.00 0.00 C ATOM 1442 CD1 TYR A 129 6.671 -4.370 7.533 1.00 0.00 C ATOM 1443 CD2 TYR A 129 7.901 -2.867 6.151 1.00 0.00 C ATOM 1444 CE1 TYR A 129 6.924 -3.573 8.632 1.00 0.00 C ATOM 1445 CE2 TYR A 129 8.160 -2.065 7.246 1.00 0.00 C ATOM 1446 CZ TYR A 129 7.669 -2.422 8.484 1.00 0.00 C ATOM 1447 OH TYR A 129 7.925 -1.626 9.577 1.00 0.00 O ATOM 0 H TYR A 129 9.308 -5.370 4.605 1.00 0.00 H new ATOM 0 HA TYR A 129 7.243 -6.749 6.118 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.239 -4.405 4.176 1.00 0.00 H new ATOM 0 HB3 TYR A 129 5.795 -5.018 4.959 1.00 0.00 H new ATOM 0 HD1 TYR A 129 6.089 -5.271 7.654 1.00 0.00 H new ATOM 0 HD2 TYR A 129 8.286 -2.584 5.183 1.00 0.00 H new ATOM 0 HE1 TYR A 129 6.540 -3.850 9.603 1.00 0.00 H new ATOM 0 HE2 TYR A 129 8.744 -1.163 7.133 1.00 0.00 H new ATOM 0 HH TYR A 129 8.464 -0.855 9.301 1.00 0.00 H new ATOM 1457 N GLN A 130 7.879 -7.967 3.448 1.00 0.00 N ATOM 1458 CA GLN A 130 7.507 -8.863 2.360 1.00 0.00 C ATOM 1459 C GLN A 130 6.951 -10.176 2.902 1.00 0.00 C ATOM 1460 O GLN A 130 7.349 -10.635 3.974 1.00 0.00 O ATOM 1461 CB GLN A 130 8.714 -9.139 1.462 1.00 0.00 C ATOM 1462 CG GLN A 130 8.344 -9.410 0.012 1.00 0.00 C ATOM 1463 CD GLN A 130 9.503 -9.965 -0.791 1.00 0.00 C ATOM 1464 OE1 GLN A 130 9.353 -10.943 -1.524 1.00 0.00 O ATOM 1465 NE2 GLN A 130 10.669 -9.343 -0.658 1.00 0.00 N ATOM 0 H GLN A 130 8.866 -8.001 3.704 1.00 0.00 H new ATOM 0 HA GLN A 130 6.730 -8.375 1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.389 -8.284 1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 130 9.261 -9.996 1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.513 -10.115 -0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 130 7.997 -8.486 -0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 130 10.749 -8.536 -0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 130 11.485 -9.672 -1.174 1.00 0.00 H new ATOM 1474 N LEU A 131 6.030 -10.776 2.157 1.00 0.00 N ATOM 1475 CA LEU A 131 5.419 -12.037 2.562 1.00 0.00 C ATOM 1476 C LEU A 131 5.578 -13.094 1.474 1.00 0.00 C ATOM 1477 O LEU A 131 5.716 -12.769 0.295 1.00 0.00 O ATOM 1478 CB LEU A 131 3.937 -11.830 2.876 1.00 0.00 C ATOM 1479 CG LEU A 131 3.622 -11.113 4.190 1.00 0.00 C ATOM 1480 CD1 LEU A 131 2.184 -10.618 4.197 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.876 -12.034 5.374 1.00 0.00 C ATOM 0 H LEU A 131 5.689 -10.409 1.268 1.00 0.00 H new ATOM 0 HA LEU A 131 5.929 -12.388 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.489 -11.263 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.450 -12.805 2.892 1.00 0.00 H new ATOM 0 HG LEU A 131 4.282 -10.250 4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.978 -10.111 5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.034 -9.923 3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.507 -11.465 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.647 -11.507 6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 131 3.241 -12.916 5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.922 -12.339 5.380 1.00 0.00 H new ATOM 1493 N TYR A 132 5.555 -14.359 1.878 1.00 0.00 N ATOM 1494 CA TYR A 132 5.696 -15.464 0.938 1.00 0.00 C ATOM 1495 C TYR A 132 6.757 -15.153 -0.113 1.00 0.00 C ATOM 1496 O TYR A 132 6.548 -15.366 -1.308 1.00 0.00 O ATOM 1497 CB TYR A 132 4.358 -15.756 0.256 1.00 0.00 C ATOM 1498 CG TYR A 132 3.229 -16.019 1.227 1.00 0.00 C ATOM 1499 CD1 TYR A 132 3.294 -17.074 2.129 1.00 0.00 C ATOM 1500 CD2 TYR A 132 2.097 -15.214 1.241 1.00 0.00 C ATOM 1501 CE1 TYR A 132 2.265 -17.318 3.018 1.00 0.00 C ATOM 1502 CE2 TYR A 132 1.063 -15.450 2.127 1.00 0.00 C ATOM 1503 CZ TYR A 132 1.152 -16.504 3.013 1.00 0.00 C ATOM 1504 OH TYR A 132 0.124 -16.743 3.896 1.00 0.00 O ATOM 0 H TYR A 132 5.440 -14.645 2.850 1.00 0.00 H new ATOM 0 HA TYR A 132 6.011 -16.345 1.498 1.00 0.00 H new ATOM 0 HB2 TYR A 132 4.091 -14.911 -0.379 1.00 0.00 H new ATOM 0 HB3 TYR A 132 4.474 -16.621 -0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 132 4.164 -17.714 2.135 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.024 -14.389 0.547 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.332 -18.142 3.713 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.191 -14.813 2.126 1.00 0.00 H new ATOM 0 HH TYR A 132 -0.691 -16.960 3.398 1.00 0.00 H new