USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 842 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 74 GLN : amide:sc= -0.233 K(o=0.61,f=-0.0062) USER MOD Set 1.2: A 109 THR OG1 : rot 78:sc= 0.84 USER MOD Single : A 9 MET CE :methyl 175:sc= -0.23 (180deg=-0.304) USER MOD Single : A 10 THR OG1 : rot 75:sc= 1.97 USER MOD Single : A 12 GLN : amide:sc=-0.00879 K(o=-0.0088,f=-2.3) USER MOD Single : A 13 MET CE :methyl -157:sc= -0.152 (180deg=-0.762) USER MOD Single : A 19 LYS NZ :NH3+ -156:sc= 1.04 (180deg=0.81) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0844) USER MOD Single : A 47 ASN : amide:sc= 1.1 X(o=1.1,f=0.61) USER MOD Single : A 63 LYS NZ :NH3+ 142:sc= 1.08 (180deg=0.447) USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= 1.94 (180deg=0.87!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 88 GLN : amide:sc= -1.76! K(o=-1.8!,f=-2.4) USER MOD Single : A 89 SER OG : rot 92:sc= 1.28 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.127 K(o=-0.13,f=-0.75) USER MOD Single : A 93 HIS : no HD1:sc= -0.555 K(o=-0.55,f=-4.6!) USER MOD Single : A 95 HIS : no HD1:sc=-0.00266 X(o=-0.0027,f=-0.083) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= -0.0812 (180deg=-0.467) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= 1.23 (180deg=0.979) USER MOD Single : A 103 THR OG1 : rot 76:sc= 1.06 USER MOD Single : A 105 SER OG : rot 76:sc= 1.21 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.0245 X(o=-0.025,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 81 N LEU A 6 -1.581 10.991 -8.737 1.00 0.00 N ATOM 82 CA LEU A 6 -0.928 10.099 -7.787 1.00 0.00 C ATOM 83 C LEU A 6 -1.976 9.516 -6.846 1.00 0.00 C ATOM 84 O LEU A 6 -1.699 8.620 -6.046 1.00 0.00 O ATOM 85 CB LEU A 6 0.137 10.870 -6.994 1.00 0.00 C ATOM 86 CG LEU A 6 1.011 10.029 -6.054 1.00 0.00 C ATOM 87 CD1 LEU A 6 1.820 9.011 -6.843 1.00 0.00 C ATOM 88 CD2 LEU A 6 1.935 10.921 -5.238 1.00 0.00 C ATOM 0 HA LEU A 6 -0.437 9.286 -8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.788 11.384 -7.701 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.362 11.639 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 6 0.355 9.493 -5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.433 8.424 -6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.144 8.348 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.464 9.530 -7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.546 10.305 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.582 11.486 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.340 11.612 -4.641 1.00 0.00 H new ATOM 100 N LEU A 7 -3.200 10.015 -6.980 1.00 0.00 N ATOM 101 CA LEU A 7 -4.291 9.621 -6.106 1.00 0.00 C ATOM 102 C LEU A 7 -4.683 8.175 -6.381 1.00 0.00 C ATOM 103 O LEU A 7 -4.848 7.392 -5.458 1.00 0.00 O ATOM 104 CB LEU A 7 -5.496 10.548 -6.312 1.00 0.00 C ATOM 105 CG LEU A 7 -6.282 10.922 -5.047 1.00 0.00 C ATOM 106 CD1 LEU A 7 -6.846 9.692 -4.361 1.00 0.00 C ATOM 107 CD2 LEU A 7 -5.409 11.717 -4.087 1.00 0.00 C ATOM 0 H LEU A 7 -3.459 10.698 -7.692 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.962 9.704 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.146 11.467 -6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.181 10.071 -7.013 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.121 11.547 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.396 9.993 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.517 9.171 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.030 9.028 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.985 11.972 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.545 11.118 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.071 12.631 -4.575 1.00 0.00 H new ATOM 119 N GLU A 8 -4.801 7.829 -7.660 1.00 0.00 N ATOM 120 CA GLU A 8 -5.174 6.479 -8.074 1.00 0.00 C ATOM 121 C GLU A 8 -4.196 5.459 -7.501 1.00 0.00 C ATOM 122 O GLU A 8 -4.596 4.481 -6.882 1.00 0.00 O ATOM 123 CB GLU A 8 -5.172 6.414 -9.604 1.00 0.00 C ATOM 124 CG GLU A 8 -5.972 5.267 -10.203 1.00 0.00 C ATOM 125 CD GLU A 8 -5.373 3.898 -9.947 1.00 0.00 C ATOM 126 OE1 GLU A 8 -4.247 3.639 -10.416 1.00 0.00 O ATOM 127 OE2 GLU A 8 -6.044 3.069 -9.293 1.00 0.00 O ATOM 0 H GLU A 8 -4.642 8.472 -8.435 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.169 6.243 -7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.566 7.353 -9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.141 6.335 -9.947 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.983 5.292 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.057 5.420 -11.279 1.00 0.00 H new ATOM 134 N MET A 9 -2.913 5.718 -7.699 1.00 0.00 N ATOM 135 CA MET A 9 -1.862 4.825 -7.230 1.00 0.00 C ATOM 136 C MET A 9 -1.929 4.644 -5.715 1.00 0.00 C ATOM 137 O MET A 9 -1.664 3.559 -5.198 1.00 0.00 O ATOM 138 CB MET A 9 -0.502 5.373 -7.660 1.00 0.00 C ATOM 139 CG MET A 9 -0.293 5.333 -9.170 1.00 0.00 C ATOM 140 SD MET A 9 0.998 6.460 -9.736 1.00 0.00 S ATOM 141 CE MET A 9 2.374 5.954 -8.710 1.00 0.00 C ATOM 0 H MET A 9 -2.571 6.547 -8.186 1.00 0.00 H new ATOM 0 HA MET A 9 -2.006 3.842 -7.678 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.405 6.402 -7.313 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.286 4.797 -7.174 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.036 4.317 -9.468 1.00 0.00 H new ATOM 0 HG3 MET A 9 -1.230 5.584 -9.667 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.269 6.500 -9.007 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.147 6.169 -7.666 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.545 4.884 -8.832 1.00 0.00 H new ATOM 151 N THR A 10 -2.309 5.704 -5.013 1.00 0.00 N ATOM 152 CA THR A 10 -2.481 5.639 -3.571 1.00 0.00 C ATOM 153 C THR A 10 -3.747 4.853 -3.223 1.00 0.00 C ATOM 154 O THR A 10 -3.714 3.938 -2.400 1.00 0.00 O ATOM 155 CB THR A 10 -2.556 7.055 -2.966 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.420 7.821 -3.393 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.584 7.001 -1.444 1.00 0.00 C ATOM 0 H THR A 10 -2.504 6.618 -5.421 1.00 0.00 H new ATOM 0 HA THR A 10 -1.617 5.127 -3.147 1.00 0.00 H new ATOM 0 HB THR A 10 -3.476 7.526 -3.312 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.539 8.090 -4.328 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.637 8.014 -1.045 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.456 6.436 -1.116 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.679 6.515 -1.080 1.00 0.00 H new ATOM 165 N GLU A 11 -4.854 5.207 -3.877 1.00 0.00 N ATOM 166 CA GLU A 11 -6.134 4.519 -3.701 1.00 0.00 C ATOM 167 C GLU A 11 -6.004 3.018 -3.945 1.00 0.00 C ATOM 168 O GLU A 11 -6.563 2.211 -3.204 1.00 0.00 O ATOM 169 CB GLU A 11 -7.176 5.110 -4.653 1.00 0.00 C ATOM 170 CG GLU A 11 -7.737 6.446 -4.196 1.00 0.00 C ATOM 171 CD GLU A 11 -8.562 6.345 -2.926 1.00 0.00 C ATOM 172 OE1 GLU A 11 -7.974 6.242 -1.829 1.00 0.00 O ATOM 173 OE2 GLU A 11 -9.806 6.393 -3.022 1.00 0.00 O ATOM 0 H GLU A 11 -4.889 5.978 -4.543 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.453 4.665 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.726 5.233 -5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.996 4.401 -4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.914 7.142 -4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.355 6.864 -4.991 1.00 0.00 H new ATOM 180 N GLN A 12 -5.260 2.654 -4.982 1.00 0.00 N ATOM 181 CA GLN A 12 -5.053 1.254 -5.324 1.00 0.00 C ATOM 182 C GLN A 12 -4.315 0.548 -4.192 1.00 0.00 C ATOM 183 O GLN A 12 -4.700 -0.545 -3.774 1.00 0.00 O ATOM 184 CB GLN A 12 -4.263 1.146 -6.636 1.00 0.00 C ATOM 185 CG GLN A 12 -4.675 -0.031 -7.514 1.00 0.00 C ATOM 186 CD GLN A 12 -4.252 -1.380 -6.961 1.00 0.00 C ATOM 187 OE1 GLN A 12 -3.215 -1.509 -6.314 1.00 0.00 O ATOM 188 NE2 GLN A 12 -5.064 -2.397 -7.203 1.00 0.00 N ATOM 0 H GLN A 12 -4.789 3.312 -5.602 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.020 0.771 -5.463 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.390 2.069 -7.201 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.202 1.058 -6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.758 -0.021 -7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.242 0.098 -8.506 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.916 -2.252 -7.744 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.837 -3.326 -6.848 1.00 0.00 H new ATOM 197 N MET A 13 -3.273 1.195 -3.677 1.00 0.00 N ATOM 198 CA MET A 13 -2.510 0.656 -2.560 1.00 0.00 C ATOM 199 C MET A 13 -3.399 0.504 -1.323 1.00 0.00 C ATOM 200 O MET A 13 -3.293 -0.482 -0.589 1.00 0.00 O ATOM 201 CB MET A 13 -1.312 1.560 -2.252 1.00 0.00 C ATOM 202 CG MET A 13 -0.432 1.049 -1.121 1.00 0.00 C ATOM 203 SD MET A 13 1.049 2.046 -0.875 1.00 0.00 S ATOM 204 CE MET A 13 1.890 1.799 -2.438 1.00 0.00 C ATOM 0 H MET A 13 -2.938 2.096 -4.018 1.00 0.00 H new ATOM 0 HA MET A 13 -2.140 -0.331 -2.837 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.706 1.664 -3.152 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.676 2.555 -1.996 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.010 1.033 -0.197 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.140 0.020 -1.332 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.956 1.988 -2.311 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.740 0.773 -2.773 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.486 2.486 -3.181 1.00 0.00 H new ATOM 214 N ILE A 14 -4.281 1.478 -1.106 1.00 0.00 N ATOM 215 CA ILE A 14 -5.234 1.423 -0.001 1.00 0.00 C ATOM 216 C ILE A 14 -6.193 0.245 -0.176 1.00 0.00 C ATOM 217 O ILE A 14 -6.473 -0.491 0.773 1.00 0.00 O ATOM 218 CB ILE A 14 -6.052 2.733 0.118 1.00 0.00 C ATOM 219 CG1 ILE A 14 -5.120 3.926 0.354 1.00 0.00 C ATOM 220 CG2 ILE A 14 -7.076 2.625 1.244 1.00 0.00 C ATOM 221 CD1 ILE A 14 -5.841 5.254 0.456 1.00 0.00 C ATOM 0 H ILE A 14 -4.355 2.316 -1.683 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.655 1.293 0.914 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.587 2.891 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.556 3.758 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.397 3.977 -0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.641 3.555 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.758 1.800 1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.561 2.443 2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.115 6.050 0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.383 5.446 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.544 5.223 1.288 1.00 0.00 H new ATOM 233 N GLU A 15 -6.675 0.072 -1.398 1.00 0.00 N ATOM 234 CA GLU A 15 -7.613 -0.993 -1.721 1.00 0.00 C ATOM 235 C GLU A 15 -7.004 -2.364 -1.436 1.00 0.00 C ATOM 236 O GLU A 15 -7.644 -3.222 -0.826 1.00 0.00 O ATOM 237 CB GLU A 15 -8.025 -0.886 -3.191 1.00 0.00 C ATOM 238 CG GLU A 15 -9.110 -1.867 -3.597 1.00 0.00 C ATOM 239 CD GLU A 15 -9.529 -1.702 -5.042 1.00 0.00 C ATOM 240 OE1 GLU A 15 -10.269 -0.745 -5.344 1.00 0.00 O ATOM 241 OE2 GLU A 15 -9.129 -2.530 -5.884 1.00 0.00 O ATOM 0 H GLU A 15 -6.428 0.664 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.496 -0.883 -1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.373 0.128 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.148 -1.049 -3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.753 -2.885 -3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.978 -1.731 -2.952 1.00 0.00 H new ATOM 248 N VAL A 16 -5.764 -2.558 -1.869 1.00 0.00 N ATOM 249 CA VAL A 16 -5.058 -3.815 -1.634 1.00 0.00 C ATOM 250 C VAL A 16 -4.864 -4.054 -0.140 1.00 0.00 C ATOM 251 O VAL A 16 -5.045 -5.170 0.346 1.00 0.00 O ATOM 252 CB VAL A 16 -3.686 -3.840 -2.343 1.00 0.00 C ATOM 253 CG1 VAL A 16 -2.956 -5.151 -2.077 1.00 0.00 C ATOM 254 CG2 VAL A 16 -3.861 -3.620 -3.837 1.00 0.00 C ATOM 0 H VAL A 16 -5.225 -1.862 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.674 -4.612 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.079 -3.030 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.993 -5.142 -2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.797 -5.268 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.555 -5.983 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.886 -3.640 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.489 -4.409 -4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.333 -2.653 -4.010 1.00 0.00 H new ATOM 264 N ALA A 17 -4.510 -2.999 0.586 1.00 0.00 N ATOM 265 CA ALA A 17 -4.330 -3.092 2.029 1.00 0.00 C ATOM 266 C ALA A 17 -5.624 -3.522 2.711 1.00 0.00 C ATOM 267 O ALA A 17 -5.637 -4.481 3.487 1.00 0.00 O ATOM 268 CB ALA A 17 -3.844 -1.763 2.588 1.00 0.00 C ATOM 0 H ALA A 17 -4.342 -2.070 0.199 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.574 -3.851 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.714 -1.848 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.892 -1.501 2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.578 -0.987 2.371 1.00 0.00 H new ATOM 274 N GLU A 18 -6.709 -2.813 2.409 1.00 0.00 N ATOM 275 CA GLU A 18 -8.017 -3.132 2.929 1.00 0.00 C ATOM 276 C GLU A 18 -8.408 -4.571 2.610 1.00 0.00 C ATOM 277 O GLU A 18 -8.723 -5.351 3.507 1.00 0.00 O ATOM 278 CB GLU A 18 -9.001 -2.169 2.295 1.00 0.00 C ATOM 279 CG GLU A 18 -10.137 -1.768 3.193 1.00 0.00 C ATOM 280 CD GLU A 18 -11.149 -2.878 3.412 1.00 0.00 C ATOM 281 OE1 GLU A 18 -11.821 -3.277 2.440 1.00 0.00 O ATOM 282 OE2 GLU A 18 -11.267 -3.362 4.557 1.00 0.00 O ATOM 0 H GLU A 18 -6.695 -2.000 1.794 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.018 -3.036 4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.465 -1.272 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.409 -2.626 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.736 -1.456 4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.643 -0.904 2.763 1.00 0.00 H new ATOM 289 N LYS A 19 -8.367 -4.921 1.329 1.00 0.00 N ATOM 290 CA LYS A 19 -8.828 -6.230 0.881 1.00 0.00 C ATOM 291 C LYS A 19 -7.894 -7.354 1.317 1.00 0.00 C ATOM 292 O LYS A 19 -8.298 -8.514 1.362 1.00 0.00 O ATOM 293 CB LYS A 19 -9.034 -6.249 -0.636 1.00 0.00 C ATOM 294 CG LYS A 19 -10.451 -5.876 -1.051 1.00 0.00 C ATOM 295 CD LYS A 19 -10.780 -4.428 -0.718 1.00 0.00 C ATOM 296 CE LYS A 19 -12.282 -4.200 -0.630 1.00 0.00 C ATOM 297 NZ LYS A 19 -12.859 -4.803 0.605 1.00 0.00 N ATOM 0 H LYS A 19 -8.020 -4.318 0.584 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.789 -6.409 1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.332 -5.557 -1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.800 -7.244 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.569 -6.037 -2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.161 -6.534 -0.549 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.314 -4.157 0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.356 -3.774 -1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.489 -3.130 -0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.767 -4.630 -1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.870 -4.996 0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.364 -5.692 0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.746 -4.142 1.400 1.00 0.00 H new ATOM 311 N GLY A 20 -6.653 -7.017 1.635 1.00 0.00 N ATOM 312 CA GLY A 20 -5.744 -8.007 2.177 1.00 0.00 C ATOM 313 C GLY A 20 -6.153 -8.419 3.574 1.00 0.00 C ATOM 314 O GLY A 20 -6.253 -9.609 3.878 1.00 0.00 O ATOM 0 H GLY A 20 -6.260 -6.082 1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.726 -8.882 1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.732 -7.603 2.196 1.00 0.00 H new ATOM 318 N ALA A 21 -6.419 -7.430 4.417 1.00 0.00 N ATOM 319 CA ALA A 21 -6.913 -7.687 5.762 1.00 0.00 C ATOM 320 C ALA A 21 -8.321 -8.268 5.696 1.00 0.00 C ATOM 321 O ALA A 21 -8.695 -9.121 6.500 1.00 0.00 O ATOM 322 CB ALA A 21 -6.898 -6.414 6.590 1.00 0.00 C ATOM 0 H ALA A 21 -6.301 -6.442 4.192 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.257 -8.411 6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.271 -6.627 7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.878 -6.035 6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.534 -5.665 6.118 1.00 0.00 H new ATOM 328 N ASP A 22 -9.085 -7.795 4.719 1.00 0.00 N ATOM 329 CA ASP A 22 -10.426 -8.304 4.449 1.00 0.00 C ATOM 330 C ASP A 22 -10.384 -9.799 4.162 1.00 0.00 C ATOM 331 O ASP A 22 -11.162 -10.576 4.721 1.00 0.00 O ATOM 332 CB ASP A 22 -11.021 -7.558 3.251 1.00 0.00 C ATOM 333 CG ASP A 22 -12.431 -7.991 2.912 1.00 0.00 C ATOM 334 OD1 ASP A 22 -13.379 -7.468 3.531 1.00 0.00 O ATOM 335 OD2 ASP A 22 -12.601 -8.829 2.006 1.00 0.00 O ATOM 0 H ASP A 22 -8.793 -7.047 4.090 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.050 -8.141 5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.018 -6.488 3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.382 -7.714 2.382 1.00 0.00 H new ATOM 340 N ARG A 23 -9.448 -10.197 3.305 1.00 0.00 N ATOM 341 CA ARG A 23 -9.298 -11.594 2.926 1.00 0.00 C ATOM 342 C ARG A 23 -8.758 -12.409 4.094 1.00 0.00 C ATOM 343 O ARG A 23 -9.122 -13.570 4.275 1.00 0.00 O ATOM 344 CB ARG A 23 -8.366 -11.726 1.721 1.00 0.00 C ATOM 345 CG ARG A 23 -8.622 -12.985 0.908 1.00 0.00 C ATOM 346 CD ARG A 23 -7.657 -13.114 -0.257 1.00 0.00 C ATOM 347 NE ARG A 23 -8.240 -13.882 -1.359 1.00 0.00 N ATOM 348 CZ ARG A 23 -7.582 -14.785 -2.085 1.00 0.00 C ATOM 349 NH1 ARG A 23 -6.330 -15.106 -1.780 1.00 0.00 N ATOM 350 NH2 ARG A 23 -8.190 -15.378 -3.105 1.00 0.00 N ATOM 0 H ARG A 23 -8.781 -9.567 2.860 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.280 -11.980 2.653 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.486 -10.854 1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.332 -11.727 2.066 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.530 -13.859 1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.645 -12.972 0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.380 -12.121 -0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.741 -13.599 0.081 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.220 -13.714 -1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.868 -14.661 -0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.830 -15.798 -2.339 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.156 -15.142 -3.330 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.691 -16.070 -3.664 1.00 0.00 H new ATOM 364 N TYR A 24 -7.889 -11.792 4.887 1.00 0.00 N ATOM 365 CA TYR A 24 -7.335 -12.440 6.070 1.00 0.00 C ATOM 366 C TYR A 24 -8.436 -12.666 7.104 1.00 0.00 C ATOM 367 O TYR A 24 -8.446 -13.673 7.815 1.00 0.00 O ATOM 368 CB TYR A 24 -6.212 -11.584 6.665 1.00 0.00 C ATOM 369 CG TYR A 24 -5.414 -12.271 7.754 1.00 0.00 C ATOM 370 CD1 TYR A 24 -4.395 -13.157 7.431 1.00 0.00 C ATOM 371 CD2 TYR A 24 -5.676 -12.036 9.099 1.00 0.00 C ATOM 372 CE1 TYR A 24 -3.658 -13.788 8.414 1.00 0.00 C ATOM 373 CE2 TYR A 24 -4.943 -12.666 10.090 1.00 0.00 C ATOM 374 CZ TYR A 24 -3.935 -13.541 9.741 1.00 0.00 C ATOM 375 OH TYR A 24 -3.205 -14.173 10.721 1.00 0.00 O ATOM 0 H TYR A 24 -7.552 -10.842 4.731 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.919 -13.406 5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.533 -11.289 5.865 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.644 -10.669 7.070 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.175 -13.356 6.393 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.464 -11.351 9.375 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.868 -14.472 8.144 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.159 -12.474 11.131 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.525 -13.889 11.602 1.00 0.00 H new ATOM 385 N GLN A 25 -9.360 -11.716 7.176 1.00 0.00 N ATOM 386 CA GLN A 25 -10.515 -11.822 8.057 1.00 0.00 C ATOM 387 C GLN A 25 -11.403 -12.980 7.619 1.00 0.00 C ATOM 388 O GLN A 25 -11.850 -13.777 8.444 1.00 0.00 O ATOM 389 CB GLN A 25 -11.310 -10.514 8.044 1.00 0.00 C ATOM 390 CG GLN A 25 -12.531 -10.526 8.950 1.00 0.00 C ATOM 391 CD GLN A 25 -13.329 -9.241 8.865 1.00 0.00 C ATOM 392 OE1 GLN A 25 -13.079 -8.290 9.608 1.00 0.00 O ATOM 393 NE2 GLN A 25 -14.297 -9.200 7.963 1.00 0.00 N ATOM 0 H GLN A 25 -9.330 -10.856 6.629 1.00 0.00 H new ATOM 0 HA GLN A 25 -10.166 -12.011 9.072 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.653 -9.698 8.346 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.629 -10.304 7.023 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.171 -11.366 8.680 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.213 -10.685 9.980 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -14.473 -10.008 7.366 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.867 -8.360 7.865 1.00 0.00 H new ATOM 635 N LYS A 41 0.689 -14.530 -10.127 1.00 0.00 N ATOM 636 CA LYS A 41 1.977 -14.272 -10.774 1.00 0.00 C ATOM 637 C LYS A 41 2.101 -12.821 -11.284 1.00 0.00 C ATOM 638 O LYS A 41 3.044 -12.118 -10.915 1.00 0.00 O ATOM 639 CB LYS A 41 2.198 -15.269 -11.920 1.00 0.00 C ATOM 640 CG LYS A 41 3.528 -15.106 -12.638 1.00 0.00 C ATOM 641 CD LYS A 41 3.639 -16.049 -13.830 1.00 0.00 C ATOM 642 CE LYS A 41 2.582 -15.746 -14.883 1.00 0.00 C ATOM 643 NZ LYS A 41 2.793 -14.420 -15.521 1.00 0.00 N ATOM 0 HA LYS A 41 2.754 -14.408 -10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.134 -16.282 -11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.391 -15.158 -12.644 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.636 -14.076 -12.977 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.344 -15.300 -11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.631 -15.961 -14.273 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.531 -17.079 -13.491 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.599 -16.523 -15.648 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.594 -15.774 -14.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.149 -14.318 -16.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.601 -13.667 -14.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.777 -14.345 -15.849 1.00 0.00 H new ATOM 657 N PRO A 42 1.161 -12.335 -12.128 1.00 0.00 N ATOM 658 CA PRO A 42 1.239 -10.973 -12.676 1.00 0.00 C ATOM 659 C PRO A 42 0.941 -9.897 -11.636 1.00 0.00 C ATOM 660 O PRO A 42 1.251 -8.718 -11.834 1.00 0.00 O ATOM 661 CB PRO A 42 0.166 -10.964 -13.763 1.00 0.00 C ATOM 662 CG PRO A 42 -0.820 -11.993 -13.326 1.00 0.00 C ATOM 663 CD PRO A 42 -0.024 -13.058 -12.632 1.00 0.00 C ATOM 0 HA PRO A 42 2.242 -10.746 -13.037 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.299 -9.982 -13.853 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.587 -11.208 -14.738 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.563 -11.562 -12.655 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.360 -12.403 -14.179 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.589 -13.516 -11.820 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.256 -13.859 -13.316 1.00 0.00 H new ATOM 671 N ALA A 43 0.342 -10.306 -10.525 1.00 0.00 N ATOM 672 CA ALA A 43 -0.025 -9.372 -9.470 1.00 0.00 C ATOM 673 C ALA A 43 1.207 -8.881 -8.723 1.00 0.00 C ATOM 674 O ALA A 43 1.265 -7.730 -8.289 1.00 0.00 O ATOM 675 CB ALA A 43 -1.007 -10.017 -8.508 1.00 0.00 C ATOM 0 H ALA A 43 0.100 -11.278 -10.332 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.506 -8.510 -9.933 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.271 -9.305 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.906 -10.311 -9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.550 -10.898 -8.058 1.00 0.00 H new ATOM 681 N VAL A 44 2.192 -9.757 -8.580 1.00 0.00 N ATOM 682 CA VAL A 44 3.430 -9.401 -7.902 1.00 0.00 C ATOM 683 C VAL A 44 4.161 -8.298 -8.671 1.00 0.00 C ATOM 684 O VAL A 44 4.759 -7.402 -8.076 1.00 0.00 O ATOM 685 CB VAL A 44 4.358 -10.627 -7.755 1.00 0.00 C ATOM 686 CG1 VAL A 44 5.615 -10.284 -6.974 1.00 0.00 C ATOM 687 CG2 VAL A 44 3.619 -11.789 -7.104 1.00 0.00 C ATOM 0 H VAL A 44 2.158 -10.717 -8.924 1.00 0.00 H new ATOM 0 HA VAL A 44 3.170 -9.039 -6.907 1.00 0.00 H new ATOM 0 HB VAL A 44 4.664 -10.931 -8.756 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.244 -11.170 -6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.163 -9.498 -7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.341 -9.938 -5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.292 -12.641 -7.011 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.272 -11.491 -6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.764 -12.067 -7.720 1.00 0.00 H new ATOM 697 N GLU A 45 4.084 -8.358 -9.997 1.00 0.00 N ATOM 698 CA GLU A 45 4.715 -7.365 -10.854 1.00 0.00 C ATOM 699 C GLU A 45 4.061 -6.002 -10.668 1.00 0.00 C ATOM 700 O GLU A 45 4.739 -4.995 -10.468 1.00 0.00 O ATOM 701 CB GLU A 45 4.601 -7.796 -12.311 1.00 0.00 C ATOM 702 CG GLU A 45 5.247 -9.139 -12.592 1.00 0.00 C ATOM 703 CD GLU A 45 6.687 -9.202 -12.127 1.00 0.00 C ATOM 704 OE1 GLU A 45 7.583 -8.786 -12.891 1.00 0.00 O ATOM 705 OE2 GLU A 45 6.929 -9.671 -10.996 1.00 0.00 O ATOM 0 H GLU A 45 3.586 -9.091 -10.503 1.00 0.00 H new ATOM 0 HA GLU A 45 5.767 -7.286 -10.579 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.548 -7.842 -12.587 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.064 -7.039 -12.944 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.675 -9.924 -12.097 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.206 -9.341 -13.662 1.00 0.00 H new ATOM 712 N GLU A 46 2.732 -6.001 -10.719 1.00 0.00 N ATOM 713 CA GLU A 46 1.938 -4.780 -10.606 1.00 0.00 C ATOM 714 C GLU A 46 2.285 -4.026 -9.335 1.00 0.00 C ATOM 715 O GLU A 46 2.732 -2.884 -9.375 1.00 0.00 O ATOM 716 CB GLU A 46 0.453 -5.126 -10.570 1.00 0.00 C ATOM 717 CG GLU A 46 -0.455 -4.021 -11.086 1.00 0.00 C ATOM 718 CD GLU A 46 -0.285 -3.784 -12.569 1.00 0.00 C ATOM 719 OE1 GLU A 46 -0.866 -4.551 -13.367 1.00 0.00 O ATOM 720 OE2 GLU A 46 0.433 -2.835 -12.949 1.00 0.00 O ATOM 0 H GLU A 46 2.174 -6.847 -10.840 1.00 0.00 H new ATOM 0 HA GLU A 46 2.160 -4.155 -11.471 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.286 -6.025 -11.163 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.171 -5.364 -9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.493 -4.280 -10.879 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.243 -3.098 -10.546 1.00 0.00 H new ATOM 727 N ASN A 47 2.084 -4.698 -8.212 1.00 0.00 N ATOM 728 CA ASN A 47 2.280 -4.089 -6.897 1.00 0.00 C ATOM 729 C ASN A 47 3.714 -3.599 -6.701 1.00 0.00 C ATOM 730 O ASN A 47 3.937 -2.562 -6.075 1.00 0.00 O ATOM 731 CB ASN A 47 1.899 -5.068 -5.780 1.00 0.00 C ATOM 732 CG ASN A 47 0.401 -5.308 -5.695 1.00 0.00 C ATOM 733 OD1 ASN A 47 -0.319 -4.572 -5.026 1.00 0.00 O ATOM 734 ND2 ASN A 47 -0.078 -6.345 -6.363 1.00 0.00 N ATOM 0 H ASN A 47 1.783 -5.672 -8.181 1.00 0.00 H new ATOM 0 HA ASN A 47 1.623 -3.221 -6.847 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.406 -6.018 -5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.255 -4.680 -4.826 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.076 -6.555 -6.332 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.551 -6.935 -6.909 1.00 0.00 H new ATOM 741 N ASP A 48 4.682 -4.334 -7.241 1.00 0.00 N ATOM 742 CA ASP A 48 6.087 -3.948 -7.129 1.00 0.00 C ATOM 743 C ASP A 48 6.349 -2.638 -7.867 1.00 0.00 C ATOM 744 O ASP A 48 6.893 -1.693 -7.291 1.00 0.00 O ATOM 745 CB ASP A 48 6.994 -5.053 -7.672 1.00 0.00 C ATOM 746 CG ASP A 48 8.467 -4.736 -7.499 1.00 0.00 C ATOM 747 OD1 ASP A 48 8.983 -4.872 -6.369 1.00 0.00 O ATOM 748 OD2 ASP A 48 9.120 -4.356 -8.494 1.00 0.00 O ATOM 0 H ASP A 48 4.521 -5.198 -7.759 1.00 0.00 H new ATOM 0 HA ASP A 48 6.314 -3.800 -6.073 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.765 -5.989 -7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.781 -5.206 -8.730 1.00 0.00 H new ATOM 753 N GLU A 49 5.942 -2.577 -9.133 1.00 0.00 N ATOM 754 CA GLU A 49 6.068 -1.358 -9.925 1.00 0.00 C ATOM 755 C GLU A 49 5.254 -0.227 -9.309 1.00 0.00 C ATOM 756 O GLU A 49 5.685 0.927 -9.286 1.00 0.00 O ATOM 757 CB GLU A 49 5.596 -1.612 -11.347 1.00 0.00 C ATOM 758 CG GLU A 49 6.500 -2.553 -12.116 1.00 0.00 C ATOM 759 CD GLU A 49 7.853 -1.946 -12.413 1.00 0.00 C ATOM 760 OE1 GLU A 49 7.906 -0.889 -13.081 1.00 0.00 O ATOM 761 OE2 GLU A 49 8.877 -2.531 -12.004 1.00 0.00 O ATOM 0 H GLU A 49 5.521 -3.360 -9.633 1.00 0.00 H new ATOM 0 HA GLU A 49 7.118 -1.065 -9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.589 -2.027 -11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.535 -0.662 -11.878 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.635 -3.470 -11.543 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.017 -2.831 -13.053 1.00 0.00 H new ATOM 768 N LEU A 50 4.078 -0.580 -8.811 1.00 0.00 N ATOM 769 CA LEU A 50 3.172 0.375 -8.196 1.00 0.00 C ATOM 770 C LEU A 50 3.840 1.055 -7.009 1.00 0.00 C ATOM 771 O LEU A 50 3.897 2.282 -6.937 1.00 0.00 O ATOM 772 CB LEU A 50 1.902 -0.342 -7.722 1.00 0.00 C ATOM 773 CG LEU A 50 0.650 0.528 -7.618 1.00 0.00 C ATOM 774 CD1 LEU A 50 0.058 0.762 -9.001 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.369 -0.113 -6.691 1.00 0.00 C ATOM 0 H LEU A 50 3.726 -1.537 -8.823 1.00 0.00 H new ATOM 0 HA LEU A 50 2.911 1.130 -8.937 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.695 -1.165 -8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.099 -0.782 -6.744 1.00 0.00 H new ATOM 0 HG LEU A 50 0.927 1.494 -7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.834 1.383 -8.915 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.792 1.266 -9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.208 -0.195 -9.449 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.254 0.521 -6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.650 -1.092 -7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.065 -0.228 -5.698 1.00 0.00 H new ATOM 787 N ALA A 51 4.358 0.245 -6.091 1.00 0.00 N ATOM 788 CA ALA A 51 5.002 0.756 -4.888 1.00 0.00 C ATOM 789 C ALA A 51 6.257 1.549 -5.233 1.00 0.00 C ATOM 790 O ALA A 51 6.548 2.572 -4.609 1.00 0.00 O ATOM 791 CB ALA A 51 5.341 -0.386 -3.943 1.00 0.00 C ATOM 0 H ALA A 51 4.344 -0.773 -6.159 1.00 0.00 H new ATOM 0 HA ALA A 51 4.303 1.428 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.821 0.012 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.427 -0.909 -3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.018 -1.081 -4.440 1.00 0.00 H new ATOM 797 N ALA A 52 6.996 1.073 -6.232 1.00 0.00 N ATOM 798 CA ALA A 52 8.216 1.743 -6.667 1.00 0.00 C ATOM 799 C ALA A 52 7.919 3.151 -7.168 1.00 0.00 C ATOM 800 O ALA A 52 8.492 4.125 -6.680 1.00 0.00 O ATOM 801 CB ALA A 52 8.911 0.930 -7.747 1.00 0.00 C ATOM 0 H ALA A 52 6.771 0.226 -6.754 1.00 0.00 H new ATOM 0 HA ALA A 52 8.882 1.824 -5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.820 1.444 -8.061 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.168 -0.054 -7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.245 0.816 -8.602 1.00 0.00 H new ATOM 807 N ARG A 53 7.006 3.252 -8.125 1.00 0.00 N ATOM 808 CA ARG A 53 6.648 4.533 -8.707 1.00 0.00 C ATOM 809 C ARG A 53 5.935 5.424 -7.696 1.00 0.00 C ATOM 810 O ARG A 53 6.079 6.644 -7.727 1.00 0.00 O ATOM 811 CB ARG A 53 5.768 4.316 -9.936 1.00 0.00 C ATOM 812 CG ARG A 53 6.291 5.011 -11.178 1.00 0.00 C ATOM 813 CD ARG A 53 6.155 6.522 -11.073 1.00 0.00 C ATOM 814 NE ARG A 53 7.361 7.217 -11.527 1.00 0.00 N ATOM 815 CZ ARG A 53 7.358 8.383 -12.175 1.00 0.00 C ATOM 816 NH1 ARG A 53 6.218 8.925 -12.589 1.00 0.00 N ATOM 817 NH2 ARG A 53 8.505 8.992 -12.444 1.00 0.00 N ATOM 0 H ARG A 53 6.499 2.457 -8.514 1.00 0.00 H new ATOM 0 HA ARG A 53 7.566 5.040 -9.005 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.688 3.247 -10.133 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.762 4.677 -9.722 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.338 4.749 -11.329 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.745 4.656 -12.052 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.302 6.851 -11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.947 6.796 -10.039 1.00 0.00 H new ATOM 0 HE ARG A 53 8.263 6.781 -11.335 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.333 8.449 -12.412 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.227 9.817 -13.084 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.387 8.569 -12.156 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.505 9.884 -12.939 1.00 0.00 H new ATOM 831 N TRP A 54 5.163 4.811 -6.804 1.00 0.00 N ATOM 832 CA TRP A 54 4.453 5.555 -5.771 1.00 0.00 C ATOM 833 C TRP A 54 5.439 6.272 -4.857 1.00 0.00 C ATOM 834 O TRP A 54 5.320 7.475 -4.629 1.00 0.00 O ATOM 835 CB TRP A 54 3.557 4.620 -4.954 1.00 0.00 C ATOM 836 CG TRP A 54 2.718 5.330 -3.937 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.543 5.988 -4.164 1.00 0.00 C ATOM 838 CD2 TRP A 54 2.986 5.459 -2.531 1.00 0.00 C ATOM 839 NE1 TRP A 54 1.064 6.518 -2.991 1.00 0.00 N ATOM 840 CE2 TRP A 54 1.931 6.205 -1.974 1.00 0.00 C ATOM 841 CE3 TRP A 54 4.012 5.013 -1.693 1.00 0.00 C ATOM 842 CZ2 TRP A 54 1.876 6.521 -0.619 1.00 0.00 C ATOM 843 CZ3 TRP A 54 3.956 5.326 -0.347 1.00 0.00 C ATOM 844 CH2 TRP A 54 2.894 6.072 0.179 1.00 0.00 C ATOM 0 H TRP A 54 5.014 3.802 -6.776 1.00 0.00 H new ATOM 0 HA TRP A 54 3.824 6.300 -6.258 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.904 4.072 -5.633 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.181 3.883 -4.448 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.061 6.078 -5.126 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.204 7.057 -2.892 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.833 4.435 -2.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.060 7.099 -0.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.745 4.989 0.310 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.878 6.298 1.235 1.00 0.00 H new ATOM 855 N ALA A 55 6.422 5.531 -4.357 1.00 0.00 N ATOM 856 CA ALA A 55 7.436 6.097 -3.477 1.00 0.00 C ATOM 857 C ALA A 55 8.223 7.191 -4.189 1.00 0.00 C ATOM 858 O ALA A 55 8.458 8.260 -3.631 1.00 0.00 O ATOM 859 CB ALA A 55 8.370 5.003 -2.982 1.00 0.00 C ATOM 0 H ALA A 55 6.537 4.536 -4.547 1.00 0.00 H new ATOM 0 HA ALA A 55 6.936 6.546 -2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.124 5.438 -2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.797 4.256 -2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.860 4.530 -3.833 1.00 0.00 H new ATOM 865 N GLU A 56 8.608 6.918 -5.431 1.00 0.00 N ATOM 866 CA GLU A 56 9.344 7.845 -6.237 1.00 0.00 C ATOM 867 C GLU A 56 8.556 9.139 -6.448 1.00 0.00 C ATOM 868 O GLU A 56 9.111 10.240 -6.375 1.00 0.00 O ATOM 869 CB GLU A 56 9.634 7.174 -7.569 1.00 0.00 C ATOM 870 CG GLU A 56 10.689 7.884 -8.351 1.00 0.00 C ATOM 871 CD GLU A 56 10.880 7.314 -9.737 1.00 0.00 C ATOM 872 OE1 GLU A 56 11.497 6.233 -9.862 1.00 0.00 O ATOM 873 OE2 GLU A 56 10.413 7.947 -10.713 1.00 0.00 O ATOM 0 H GLU A 56 8.408 6.033 -5.898 1.00 0.00 H new ATOM 0 HA GLU A 56 10.274 8.115 -5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.948 6.145 -7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.717 7.131 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.426 8.939 -8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.633 7.831 -7.809 1.00 0.00 H new ATOM 880 N GLY A 57 7.262 8.997 -6.709 1.00 0.00 N ATOM 881 CA GLY A 57 6.406 10.153 -6.882 1.00 0.00 C ATOM 882 C GLY A 57 6.225 10.925 -5.594 1.00 0.00 C ATOM 883 O GLY A 57 6.264 12.153 -5.590 1.00 0.00 O ATOM 0 H GLY A 57 6.790 8.098 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.833 10.809 -7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.432 9.831 -7.251 1.00 0.00 H new ATOM 887 N ALA A 58 6.032 10.202 -4.498 1.00 0.00 N ATOM 888 CA ALA A 58 5.884 10.826 -3.189 1.00 0.00 C ATOM 889 C ALA A 58 7.133 11.617 -2.821 1.00 0.00 C ATOM 890 O ALA A 58 7.044 12.731 -2.309 1.00 0.00 O ATOM 891 CB ALA A 58 5.589 9.778 -2.129 1.00 0.00 C ATOM 0 H ALA A 58 5.974 9.184 -4.489 1.00 0.00 H new ATOM 0 HA ALA A 58 5.043 11.518 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.482 10.262 -1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.664 9.258 -2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.409 9.061 -2.088 1.00 0.00 H new ATOM 897 N LEU A 59 8.298 11.037 -3.101 1.00 0.00 N ATOM 898 CA LEU A 59 9.565 11.691 -2.844 1.00 0.00 C ATOM 899 C LEU A 59 9.689 12.978 -3.656 1.00 0.00 C ATOM 900 O LEU A 59 10.163 13.994 -3.154 1.00 0.00 O ATOM 901 CB LEU A 59 10.706 10.735 -3.184 1.00 0.00 C ATOM 902 CG LEU A 59 10.879 9.552 -2.226 1.00 0.00 C ATOM 903 CD1 LEU A 59 12.011 8.646 -2.690 1.00 0.00 C ATOM 904 CD2 LEU A 59 11.139 10.040 -0.808 1.00 0.00 C ATOM 0 H LEU A 59 8.383 10.106 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 59 9.617 11.957 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.544 10.346 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.637 11.301 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 59 9.953 8.977 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.117 7.812 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.786 8.263 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.941 9.213 -2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.259 9.183 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.048 10.642 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.297 10.645 -0.471 1.00 0.00 H new ATOM 916 N GLU A 60 9.251 12.921 -4.908 1.00 0.00 N ATOM 917 CA GLU A 60 9.266 14.085 -5.789 1.00 0.00 C ATOM 918 C GLU A 60 8.397 15.208 -5.210 1.00 0.00 C ATOM 919 O GLU A 60 8.791 16.378 -5.186 1.00 0.00 O ATOM 920 CB GLU A 60 8.758 13.692 -7.182 1.00 0.00 C ATOM 921 CG GLU A 60 8.954 14.766 -8.242 1.00 0.00 C ATOM 922 CD GLU A 60 10.416 15.035 -8.537 1.00 0.00 C ATOM 923 OE1 GLU A 60 11.045 14.220 -9.243 1.00 0.00 O ATOM 924 OE2 GLU A 60 10.941 16.071 -8.082 1.00 0.00 O ATOM 0 H GLU A 60 8.878 12.075 -5.339 1.00 0.00 H new ATOM 0 HA GLU A 60 10.291 14.447 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.271 12.784 -7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.697 13.452 -7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.452 14.461 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.478 15.689 -7.911 1.00 0.00 H new ATOM 931 N LEU A 61 7.219 14.843 -4.726 1.00 0.00 N ATOM 932 CA LEU A 61 6.298 15.817 -4.157 1.00 0.00 C ATOM 933 C LEU A 61 6.861 16.446 -2.885 1.00 0.00 C ATOM 934 O LEU A 61 6.823 17.667 -2.726 1.00 0.00 O ATOM 935 CB LEU A 61 4.931 15.179 -3.872 1.00 0.00 C ATOM 936 CG LEU A 61 3.895 15.296 -5.002 1.00 0.00 C ATOM 937 CD1 LEU A 61 3.581 16.757 -5.290 1.00 0.00 C ATOM 938 CD2 LEU A 61 4.376 14.597 -6.265 1.00 0.00 C ATOM 0 H LEU A 61 6.878 13.882 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 61 6.168 16.608 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.082 14.123 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.516 15.637 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 61 2.982 14.801 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.846 16.820 -6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.179 17.227 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.493 17.272 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.622 14.697 -7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.308 15.052 -6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.543 13.541 -6.055 1.00 0.00 H new ATOM 950 N ILE A 62 7.406 15.622 -1.997 1.00 0.00 N ATOM 951 CA ILE A 62 7.867 16.107 -0.698 1.00 0.00 C ATOM 952 C ILE A 62 9.178 16.886 -0.801 1.00 0.00 C ATOM 953 O ILE A 62 9.518 17.651 0.102 1.00 0.00 O ATOM 954 CB ILE A 62 8.031 14.967 0.330 1.00 0.00 C ATOM 955 CG1 ILE A 62 9.105 13.971 -0.116 1.00 0.00 C ATOM 956 CG2 ILE A 62 6.702 14.261 0.553 1.00 0.00 C ATOM 957 CD1 ILE A 62 9.407 12.901 0.912 1.00 0.00 C ATOM 0 H ILE A 62 7.540 14.622 -2.149 1.00 0.00 H new ATOM 0 HA ILE A 62 7.086 16.782 -0.348 1.00 0.00 H new ATOM 0 HB ILE A 62 8.355 15.405 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.783 13.493 -1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.022 14.516 -0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.833 13.460 1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.969 14.975 0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.350 13.842 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.177 12.233 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.760 13.369 1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.502 12.330 1.120 1.00 0.00 H new ATOM 969 N LYS A 63 9.926 16.690 -1.884 1.00 0.00 N ATOM 970 CA LYS A 63 11.150 17.457 -2.081 1.00 0.00 C ATOM 971 C LYS A 63 10.813 18.844 -2.620 1.00 0.00 C ATOM 972 O LYS A 63 11.544 19.808 -2.380 1.00 0.00 O ATOM 973 CB LYS A 63 12.143 16.715 -2.999 1.00 0.00 C ATOM 974 CG LYS A 63 11.634 16.452 -4.407 1.00 0.00 C ATOM 975 CD LYS A 63 11.981 17.581 -5.365 1.00 0.00 C ATOM 976 CE LYS A 63 13.333 17.365 -6.025 1.00 0.00 C ATOM 977 NZ LYS A 63 13.334 16.142 -6.870 1.00 0.00 N ATOM 0 H LYS A 63 9.712 16.021 -2.624 1.00 0.00 H new ATOM 0 HA LYS A 63 11.644 17.573 -1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.062 17.297 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.401 15.762 -2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.061 15.520 -4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.552 16.319 -4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.210 17.657 -6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.987 18.528 -4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.584 18.232 -6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.104 17.281 -5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.893 16.315 -7.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.753 15.353 -6.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.357 15.902 -7.134 1.00 0.00 H new ATOM 991 N VAL A 64 9.698 18.947 -3.342 1.00 0.00 N ATOM 992 CA VAL A 64 9.204 20.242 -3.795 1.00 0.00 C ATOM 993 C VAL A 64 8.470 20.952 -2.658 1.00 0.00 C ATOM 994 O VAL A 64 8.732 22.120 -2.359 1.00 0.00 O ATOM 995 CB VAL A 64 8.256 20.102 -5.010 1.00 0.00 C ATOM 996 CG1 VAL A 64 7.702 21.456 -5.427 1.00 0.00 C ATOM 997 CG2 VAL A 64 8.973 19.440 -6.175 1.00 0.00 C ATOM 0 H VAL A 64 9.124 18.152 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 64 10.068 20.831 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 64 7.420 19.469 -4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.039 21.330 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.145 21.892 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.524 22.117 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.290 19.351 -7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.831 20.046 -6.465 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.313 18.448 -5.877 1.00 0.00 H new ATOM 1007 N ARG A 65 7.555 20.235 -2.023 1.00 0.00 N ATOM 1008 CA ARG A 65 6.792 20.766 -0.904 1.00 0.00 C ATOM 1009 C ARG A 65 6.907 19.827 0.291 1.00 0.00 C ATOM 1010 O ARG A 65 6.552 18.656 0.202 1.00 0.00 O ATOM 1011 CB ARG A 65 5.330 20.966 -1.310 1.00 0.00 C ATOM 1012 CG ARG A 65 5.147 22.088 -2.320 1.00 0.00 C ATOM 1013 CD ARG A 65 3.759 22.087 -2.942 1.00 0.00 C ATOM 1014 NE ARG A 65 2.696 22.221 -1.949 1.00 0.00 N ATOM 1015 CZ ARG A 65 1.865 23.259 -1.880 1.00 0.00 C ATOM 1016 NH1 ARG A 65 2.071 24.334 -2.633 1.00 0.00 N ATOM 1017 NH2 ARG A 65 0.841 23.239 -1.033 1.00 0.00 N ATOM 0 H ARG A 65 7.321 19.273 -2.268 1.00 0.00 H new ATOM 0 HA ARG A 65 7.198 21.737 -0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.944 20.038 -1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.737 21.183 -0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.322 23.046 -1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.895 21.991 -3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.686 22.905 -3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.616 21.161 -3.499 1.00 0.00 H new ATOM 0 HE ARG A 65 2.583 21.472 -1.266 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.869 24.367 -3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.431 25.127 -2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.690 22.427 -0.434 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.206 24.035 -0.982 1.00 0.00 H new ATOM 1031 N ARG A 66 7.418 20.360 1.396 1.00 0.00 N ATOM 1032 CA ARG A 66 7.759 19.560 2.575 1.00 0.00 C ATOM 1033 C ARG A 66 6.600 18.681 3.047 1.00 0.00 C ATOM 1034 O ARG A 66 5.438 19.101 3.046 1.00 0.00 O ATOM 1035 CB ARG A 66 8.195 20.467 3.726 1.00 0.00 C ATOM 1036 CG ARG A 66 9.321 21.418 3.371 1.00 0.00 C ATOM 1037 CD ARG A 66 9.803 22.177 4.594 1.00 0.00 C ATOM 1038 NE ARG A 66 10.697 23.275 4.243 1.00 0.00 N ATOM 1039 CZ ARG A 66 11.968 23.358 4.639 1.00 0.00 C ATOM 1040 NH1 ARG A 66 12.513 22.381 5.350 1.00 0.00 N ATOM 1041 NH2 ARG A 66 12.698 24.415 4.325 1.00 0.00 N ATOM 0 H ARG A 66 7.608 21.356 1.503 1.00 0.00 H new ATOM 0 HA ARG A 66 8.578 18.905 2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.336 21.047 4.063 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.509 19.846 4.565 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.150 20.859 2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.980 22.123 2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.944 22.570 5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.319 21.491 5.266 1.00 0.00 H new ATOM 0 HE ARG A 66 10.328 24.025 3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.960 21.560 5.597 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.485 22.450 5.650 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.290 25.172 3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.669 24.473 4.631 1.00 0.00 H new ATOM 1055 N PRO A 67 6.916 17.442 3.457 1.00 0.00 N ATOM 1056 CA PRO A 67 5.937 16.525 4.041 1.00 0.00 C ATOM 1057 C PRO A 67 5.473 17.012 5.410 1.00 0.00 C ATOM 1058 O PRO A 67 6.275 17.171 6.335 1.00 0.00 O ATOM 1059 CB PRO A 67 6.702 15.205 4.162 1.00 0.00 C ATOM 1060 CG PRO A 67 8.138 15.597 4.218 1.00 0.00 C ATOM 1061 CD PRO A 67 8.261 16.837 3.378 1.00 0.00 C ATOM 0 HA PRO A 67 5.033 16.438 3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.407 14.658 5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.503 14.554 3.311 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.451 15.788 5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.775 14.801 3.834 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.027 17.509 3.765 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.535 16.600 2.350 1.00 0.00 H new ATOM 1069 N LYS A 68 4.181 17.266 5.530 1.00 0.00 N ATOM 1070 CA LYS A 68 3.630 17.860 6.739 1.00 0.00 C ATOM 1071 C LYS A 68 3.135 16.780 7.694 1.00 0.00 C ATOM 1072 O LYS A 68 3.671 16.613 8.790 1.00 0.00 O ATOM 1073 CB LYS A 68 2.504 18.816 6.354 1.00 0.00 C ATOM 1074 CG LYS A 68 2.907 19.761 5.232 1.00 0.00 C ATOM 1075 CD LYS A 68 1.712 20.473 4.631 1.00 0.00 C ATOM 1076 CE LYS A 68 2.002 20.926 3.206 1.00 0.00 C ATOM 1077 NZ LYS A 68 2.430 19.789 2.344 1.00 0.00 N ATOM 0 H LYS A 68 3.492 17.070 4.804 1.00 0.00 H new ATOM 0 HA LYS A 68 4.409 18.418 7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.631 18.240 6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.210 19.398 7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.613 20.498 5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.423 19.200 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.849 19.808 4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.453 21.336 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.111 21.389 2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.782 21.688 3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.406 20.082 1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.398 19.505 2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.785 18.985 2.484 1.00 0.00 H new ATOM 1091 N TYR A 69 2.119 16.040 7.272 1.00 0.00 N ATOM 1092 CA TYR A 69 1.590 14.948 8.081 1.00 0.00 C ATOM 1093 C TYR A 69 2.449 13.701 7.937 1.00 0.00 C ATOM 1094 O TYR A 69 2.898 13.121 8.928 1.00 0.00 O ATOM 1095 CB TYR A 69 0.149 14.628 7.687 1.00 0.00 C ATOM 1096 CG TYR A 69 -0.855 15.656 8.153 1.00 0.00 C ATOM 1097 CD1 TYR A 69 -1.467 15.536 9.394 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -1.196 16.740 7.355 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -2.390 16.467 9.826 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -2.119 17.675 7.781 1.00 0.00 C ATOM 1101 CZ TYR A 69 -2.712 17.535 9.016 1.00 0.00 C ATOM 1102 OH TYR A 69 -3.638 18.459 9.443 1.00 0.00 O ATOM 0 H TYR A 69 1.646 16.174 6.378 1.00 0.00 H new ATOM 0 HA TYR A 69 1.608 15.270 9.122 1.00 0.00 H new ATOM 0 HB2 TYR A 69 0.090 14.542 6.602 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.123 13.656 8.099 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.217 14.701 10.031 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.732 16.854 6.386 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.857 16.359 10.794 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.375 18.512 7.148 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.751 19.150 8.757 1.00 0.00 H new ATOM 1112 N VAL A 70 2.671 13.291 6.699 1.00 0.00 N ATOM 1113 CA VAL A 70 3.462 12.105 6.421 1.00 0.00 C ATOM 1114 C VAL A 70 4.952 12.420 6.553 1.00 0.00 C ATOM 1115 O VAL A 70 5.372 13.557 6.354 1.00 0.00 O ATOM 1116 CB VAL A 70 3.151 11.552 5.007 1.00 0.00 C ATOM 1117 CG1 VAL A 70 3.550 12.550 3.926 1.00 0.00 C ATOM 1118 CG2 VAL A 70 3.826 10.205 4.783 1.00 0.00 C ATOM 0 H VAL A 70 2.313 13.764 5.869 1.00 0.00 H new ATOM 0 HA VAL A 70 3.198 11.339 7.151 1.00 0.00 H new ATOM 0 HB VAL A 70 2.074 11.401 4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.320 12.135 2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.997 13.479 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.619 12.751 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.590 9.842 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.906 10.318 4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.466 9.490 5.523 1.00 0.00 H new ATOM 1128 N HIS A 71 5.738 11.419 6.916 1.00 0.00 N ATOM 1129 CA HIS A 71 7.181 11.590 7.046 1.00 0.00 C ATOM 1130 C HIS A 71 7.883 10.737 6.000 1.00 0.00 C ATOM 1131 O HIS A 71 7.330 9.731 5.555 1.00 0.00 O ATOM 1132 CB HIS A 71 7.656 11.201 8.453 1.00 0.00 C ATOM 1133 CG HIS A 71 7.078 12.047 9.550 1.00 0.00 C ATOM 1134 ND1 HIS A 71 7.666 13.209 9.999 1.00 0.00 N ATOM 1135 CD2 HIS A 71 5.956 11.889 10.292 1.00 0.00 C ATOM 1136 CE1 HIS A 71 6.935 13.723 10.970 1.00 0.00 C ATOM 1137 NE2 HIS A 71 5.889 12.943 11.169 1.00 0.00 N ATOM 0 H HIS A 71 5.404 10.479 7.126 1.00 0.00 H new ATOM 0 HA HIS A 71 7.427 12.640 6.888 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.396 10.159 8.637 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.743 11.270 8.490 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.244 11.081 10.209 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.156 14.631 11.512 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.154 13.098 11.859 1.00 0.00 H new ATOM 1146 N LYS A 72 9.093 11.122 5.609 1.00 0.00 N ATOM 1147 CA LYS A 72 9.833 10.367 4.600 1.00 0.00 C ATOM 1148 C LYS A 72 10.167 8.978 5.132 1.00 0.00 C ATOM 1149 O LYS A 72 10.183 8.004 4.381 1.00 0.00 O ATOM 1150 CB LYS A 72 11.113 11.098 4.170 1.00 0.00 C ATOM 1151 CG LYS A 72 12.190 11.164 5.243 1.00 0.00 C ATOM 1152 CD LYS A 72 13.482 11.749 4.704 1.00 0.00 C ATOM 1153 CE LYS A 72 14.612 11.625 5.710 1.00 0.00 C ATOM 1154 NZ LYS A 72 15.896 12.129 5.160 1.00 0.00 N ATOM 0 H LYS A 72 9.579 11.943 5.970 1.00 0.00 H new ATOM 0 HA LYS A 72 9.199 10.272 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.523 10.601 3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.854 12.113 3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.836 11.770 6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.378 10.163 5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.757 11.238 3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.330 12.799 4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.359 12.182 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.726 10.581 6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.644 12.028 5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.150 11.581 4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.794 13.132 4.905 1.00 0.00 H new ATOM 1168 N GLU A 73 10.406 8.903 6.440 1.00 0.00 N ATOM 1169 CA GLU A 73 10.624 7.638 7.128 1.00 0.00 C ATOM 1170 C GLU A 73 9.463 6.690 6.860 1.00 0.00 C ATOM 1171 O GLU A 73 9.654 5.510 6.562 1.00 0.00 O ATOM 1172 CB GLU A 73 10.754 7.890 8.632 1.00 0.00 C ATOM 1173 CG GLU A 73 10.868 6.625 9.464 1.00 0.00 C ATOM 1174 CD GLU A 73 10.898 6.912 10.947 1.00 0.00 C ATOM 1175 OE1 GLU A 73 11.989 7.214 11.475 1.00 0.00 O ATOM 1176 OE2 GLU A 73 9.834 6.847 11.596 1.00 0.00 O ATOM 0 H GLU A 73 10.453 9.719 7.050 1.00 0.00 H new ATOM 0 HA GLU A 73 11.542 7.182 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.632 8.510 8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.888 8.458 8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.026 5.969 9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.774 6.088 9.182 1.00 0.00 H new ATOM 1183 N GLN A 74 8.256 7.235 6.944 1.00 0.00 N ATOM 1184 CA GLN A 74 7.049 6.465 6.722 1.00 0.00 C ATOM 1185 C GLN A 74 6.942 6.037 5.265 1.00 0.00 C ATOM 1186 O GLN A 74 6.633 4.889 4.979 1.00 0.00 O ATOM 1187 CB GLN A 74 5.819 7.280 7.135 1.00 0.00 C ATOM 1188 CG GLN A 74 5.728 7.529 8.632 1.00 0.00 C ATOM 1189 CD GLN A 74 5.678 6.243 9.438 1.00 0.00 C ATOM 1190 OE1 GLN A 74 5.182 5.218 8.972 1.00 0.00 O ATOM 1191 NE2 GLN A 74 6.195 6.290 10.656 1.00 0.00 N ATOM 0 H GLN A 74 8.091 8.217 7.167 1.00 0.00 H new ATOM 0 HA GLN A 74 7.095 5.566 7.336 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.838 8.238 6.616 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.920 6.758 6.807 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.587 8.120 8.951 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.838 8.121 8.844 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.597 7.160 11.006 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.191 5.457 11.244 1.00 0.00 H new ATOM 1200 N ILE A 75 7.225 6.950 4.347 1.00 0.00 N ATOM 1201 CA ILE A 75 7.137 6.653 2.919 1.00 0.00 C ATOM 1202 C ILE A 75 8.082 5.513 2.534 1.00 0.00 C ATOM 1203 O ILE A 75 7.704 4.601 1.790 1.00 0.00 O ATOM 1204 CB ILE A 75 7.450 7.903 2.068 1.00 0.00 C ATOM 1205 CG1 ILE A 75 6.472 9.029 2.415 1.00 0.00 C ATOM 1206 CG2 ILE A 75 7.382 7.571 0.582 1.00 0.00 C ATOM 1207 CD1 ILE A 75 6.741 10.326 1.681 1.00 0.00 C ATOM 0 H ILE A 75 7.518 7.903 4.562 1.00 0.00 H new ATOM 0 HA ILE A 75 6.112 6.342 2.716 1.00 0.00 H new ATOM 0 HB ILE A 75 8.463 8.237 2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.458 8.699 2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.514 9.215 3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.605 8.464 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.110 6.794 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.382 7.217 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.006 11.073 1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.742 10.682 1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.669 10.158 0.606 1.00 0.00 H new ATOM 1219 N GLU A 76 9.297 5.546 3.072 1.00 0.00 N ATOM 1220 CA GLU A 76 10.295 4.530 2.759 1.00 0.00 C ATOM 1221 C GLU A 76 9.925 3.194 3.398 1.00 0.00 C ATOM 1222 O GLU A 76 10.182 2.127 2.833 1.00 0.00 O ATOM 1223 CB GLU A 76 11.686 4.977 3.222 1.00 0.00 C ATOM 1224 CG GLU A 76 12.158 6.268 2.567 1.00 0.00 C ATOM 1225 CD GLU A 76 13.583 6.633 2.934 1.00 0.00 C ATOM 1226 OE1 GLU A 76 13.851 6.909 4.120 1.00 0.00 O ATOM 1227 OE2 GLU A 76 14.448 6.661 2.031 1.00 0.00 O ATOM 0 H GLU A 76 9.613 6.263 3.725 1.00 0.00 H new ATOM 0 HA GLU A 76 10.317 4.399 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.675 5.111 4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.404 4.186 3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.082 6.168 1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.494 7.081 2.860 1.00 0.00 H new ATOM 1234 N ALA A 77 9.304 3.259 4.569 1.00 0.00 N ATOM 1235 CA ALA A 77 8.895 2.062 5.290 1.00 0.00 C ATOM 1236 C ALA A 77 7.645 1.437 4.677 1.00 0.00 C ATOM 1237 O ALA A 77 7.578 0.221 4.501 1.00 0.00 O ATOM 1238 CB ALA A 77 8.661 2.388 6.760 1.00 0.00 C ATOM 0 H ALA A 77 9.072 4.133 5.041 1.00 0.00 H new ATOM 0 HA ALA A 77 9.701 1.332 5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.356 1.485 7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.582 2.771 7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.878 3.141 6.845 1.00 0.00 H new ATOM 1244 N VAL A 78 6.666 2.270 4.333 1.00 0.00 N ATOM 1245 CA VAL A 78 5.387 1.790 3.816 1.00 0.00 C ATOM 1246 C VAL A 78 5.561 1.036 2.501 1.00 0.00 C ATOM 1247 O VAL A 78 4.863 0.058 2.255 1.00 0.00 O ATOM 1248 CB VAL A 78 4.370 2.944 3.645 1.00 0.00 C ATOM 1249 CG1 VAL A 78 3.146 2.497 2.855 1.00 0.00 C ATOM 1250 CG2 VAL A 78 3.949 3.475 5.006 1.00 0.00 C ATOM 0 H VAL A 78 6.735 3.285 4.403 1.00 0.00 H new ATOM 0 HA VAL A 78 4.989 1.096 4.556 1.00 0.00 H new ATOM 0 HB VAL A 78 4.858 3.740 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.453 3.332 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.455 2.160 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.653 1.678 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.233 4.287 4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.487 2.673 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.825 3.846 5.539 1.00 0.00 H new ATOM 1260 N LYS A 79 6.503 1.468 1.671 1.00 0.00 N ATOM 1261 CA LYS A 79 6.791 0.757 0.429 1.00 0.00 C ATOM 1262 C LYS A 79 7.165 -0.695 0.729 1.00 0.00 C ATOM 1263 O LYS A 79 6.641 -1.627 0.115 1.00 0.00 O ATOM 1264 CB LYS A 79 7.930 1.428 -0.342 1.00 0.00 C ATOM 1265 CG LYS A 79 8.218 0.757 -1.675 1.00 0.00 C ATOM 1266 CD LYS A 79 9.532 1.221 -2.272 1.00 0.00 C ATOM 1267 CE LYS A 79 9.818 0.506 -3.580 1.00 0.00 C ATOM 1268 NZ LYS A 79 11.186 0.787 -4.076 1.00 0.00 N ATOM 0 H LYS A 79 7.075 2.297 1.831 1.00 0.00 H new ATOM 0 HA LYS A 79 5.893 0.784 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.678 2.474 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.833 1.414 0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.243 -0.324 -1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.407 0.972 -2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.499 2.297 -2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.342 1.034 -1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.696 -0.568 -3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.089 0.815 -4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.342 0.280 -4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.295 1.809 -4.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.883 0.469 -3.372 1.00 0.00 H new ATOM 1282 N ASP A 80 8.060 -0.870 1.698 1.00 0.00 N ATOM 1283 CA ASP A 80 8.496 -2.200 2.120 1.00 0.00 C ATOM 1284 C ASP A 80 7.345 -2.952 2.773 1.00 0.00 C ATOM 1285 O ASP A 80 7.119 -4.128 2.488 1.00 0.00 O ATOM 1286 CB ASP A 80 9.670 -2.087 3.100 1.00 0.00 C ATOM 1287 CG ASP A 80 10.096 -3.427 3.680 1.00 0.00 C ATOM 1288 OD1 ASP A 80 10.826 -4.175 2.996 1.00 0.00 O ATOM 1289 OD2 ASP A 80 9.723 -3.723 4.840 1.00 0.00 O ATOM 0 H ASP A 80 8.500 -0.104 2.208 1.00 0.00 H new ATOM 0 HA ASP A 80 8.822 -2.753 1.239 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.519 -1.633 2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.392 -1.417 3.914 1.00 0.00 H new ATOM 1294 N ASN A 81 6.603 -2.251 3.626 1.00 0.00 N ATOM 1295 CA ASN A 81 5.474 -2.843 4.339 1.00 0.00 C ATOM 1296 C ASN A 81 4.388 -3.298 3.373 1.00 0.00 C ATOM 1297 O ASN A 81 3.721 -4.295 3.615 1.00 0.00 O ATOM 1298 CB ASN A 81 4.876 -1.852 5.344 1.00 0.00 C ATOM 1299 CG ASN A 81 5.825 -1.499 6.474 1.00 0.00 C ATOM 1300 OD1 ASN A 81 6.695 -2.289 6.844 1.00 0.00 O ATOM 1301 ND2 ASN A 81 5.660 -0.312 7.036 1.00 0.00 N ATOM 0 H ASN A 81 6.764 -1.267 3.841 1.00 0.00 H new ATOM 0 HA ASN A 81 5.855 -3.711 4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.591 -0.940 4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.964 -2.276 5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.265 -0.023 7.804 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.928 0.314 6.701 1.00 0.00 H new ATOM 1308 N PHE A 82 4.211 -2.559 2.284 1.00 0.00 N ATOM 1309 CA PHE A 82 3.196 -2.889 1.293 1.00 0.00 C ATOM 1310 C PHE A 82 3.537 -4.196 0.583 1.00 0.00 C ATOM 1311 O PHE A 82 2.703 -5.096 0.493 1.00 0.00 O ATOM 1312 CB PHE A 82 3.051 -1.753 0.278 1.00 0.00 C ATOM 1313 CG PHE A 82 2.016 -2.019 -0.778 1.00 0.00 C ATOM 1314 CD1 PHE A 82 0.688 -2.212 -0.431 1.00 0.00 C ATOM 1315 CD2 PHE A 82 2.369 -2.072 -2.117 1.00 0.00 C ATOM 1316 CE1 PHE A 82 -0.267 -2.456 -1.399 1.00 0.00 C ATOM 1317 CE2 PHE A 82 1.417 -2.316 -3.089 1.00 0.00 C ATOM 1318 CZ PHE A 82 0.097 -2.508 -2.728 1.00 0.00 C ATOM 0 H PHE A 82 4.758 -1.726 2.066 1.00 0.00 H new ATOM 0 HA PHE A 82 2.245 -3.019 1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.791 -0.836 0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.014 -1.582 -0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.396 -2.171 0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.399 -1.921 -2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.298 -2.606 -1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.704 -2.357 -4.129 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.649 -2.699 -3.486 1.00 0.00 H new ATOM 1328 N LEU A 83 4.768 -4.304 0.097 1.00 0.00 N ATOM 1329 CA LEU A 83 5.216 -5.516 -0.581 1.00 0.00 C ATOM 1330 C LEU A 83 5.208 -6.698 0.383 1.00 0.00 C ATOM 1331 O LEU A 83 4.820 -7.811 0.015 1.00 0.00 O ATOM 1332 CB LEU A 83 6.609 -5.311 -1.184 1.00 0.00 C ATOM 1333 CG LEU A 83 6.647 -4.402 -2.414 1.00 0.00 C ATOM 1334 CD1 LEU A 83 8.084 -4.126 -2.823 1.00 0.00 C ATOM 1335 CD2 LEU A 83 5.877 -5.034 -3.563 1.00 0.00 C ATOM 0 H LEU A 83 5.473 -3.569 0.159 1.00 0.00 H new ATOM 0 HA LEU A 83 4.525 -5.735 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.263 -4.892 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.019 -6.284 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 83 6.172 -3.454 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.095 -3.478 -3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.608 -3.636 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.582 -5.066 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.913 -4.376 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.326 -5.994 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.839 -5.186 -3.266 1.00 0.00 H new ATOM 1347 N GLU A 84 5.618 -6.446 1.619 1.00 0.00 N ATOM 1348 CA GLU A 84 5.557 -7.454 2.667 1.00 0.00 C ATOM 1349 C GLU A 84 4.115 -7.863 2.938 1.00 0.00 C ATOM 1350 O GLU A 84 3.820 -9.047 3.080 1.00 0.00 O ATOM 1351 CB GLU A 84 6.198 -6.931 3.952 1.00 0.00 C ATOM 1352 CG GLU A 84 7.567 -7.523 4.235 1.00 0.00 C ATOM 1353 CD GLU A 84 7.507 -9.007 4.538 1.00 0.00 C ATOM 1354 OE1 GLU A 84 6.918 -9.384 5.577 1.00 0.00 O ATOM 1355 OE2 GLU A 84 8.048 -9.806 3.746 1.00 0.00 O ATOM 0 H GLU A 84 5.998 -5.549 1.920 1.00 0.00 H new ATOM 0 HA GLU A 84 6.111 -8.329 2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.287 -5.847 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.537 -7.148 4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.216 -7.357 3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.017 -7.001 5.079 1.00 0.00 H new ATOM 1362 N LEU A 85 3.224 -6.874 2.987 1.00 0.00 N ATOM 1363 CA LEU A 85 1.809 -7.105 3.262 1.00 0.00 C ATOM 1364 C LEU A 85 1.219 -8.063 2.235 1.00 0.00 C ATOM 1365 O LEU A 85 0.484 -8.986 2.587 1.00 0.00 O ATOM 1366 CB LEU A 85 1.041 -5.776 3.257 1.00 0.00 C ATOM 1367 CG LEU A 85 -0.074 -5.642 4.304 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -0.634 -4.229 4.305 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -1.189 -6.649 4.054 1.00 0.00 C ATOM 0 H LEU A 85 3.463 -5.894 2.838 1.00 0.00 H new ATOM 0 HA LEU A 85 1.716 -7.556 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.754 -4.966 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.604 -5.635 2.269 1.00 0.00 H new ATOM 0 HG LEU A 85 0.359 -5.852 5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.423 -4.151 5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.161 -3.523 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.042 -3.999 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.964 -6.530 4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.618 -6.479 3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.784 -7.660 4.105 1.00 0.00 H new ATOM 1381 N VAL A 86 1.560 -7.851 0.970 1.00 0.00 N ATOM 1382 CA VAL A 86 1.107 -8.731 -0.100 1.00 0.00 C ATOM 1383 C VAL A 86 1.533 -10.173 0.176 1.00 0.00 C ATOM 1384 O VAL A 86 0.716 -11.091 0.132 1.00 0.00 O ATOM 1385 CB VAL A 86 1.660 -8.288 -1.473 1.00 0.00 C ATOM 1386 CG1 VAL A 86 1.203 -9.230 -2.578 1.00 0.00 C ATOM 1387 CG2 VAL A 86 1.241 -6.860 -1.785 1.00 0.00 C ATOM 0 H VAL A 86 2.148 -7.078 0.660 1.00 0.00 H new ATOM 0 HA VAL A 86 0.019 -8.670 -0.130 1.00 0.00 H new ATOM 0 HB VAL A 86 2.748 -8.327 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.607 -8.894 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.560 -10.238 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.114 -9.234 -2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.641 -6.567 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.153 -6.796 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.629 -6.191 -1.017 1.00 0.00 H new ATOM 1397 N LEU A 87 2.808 -10.356 0.497 1.00 0.00 N ATOM 1398 CA LEU A 87 3.353 -11.686 0.737 1.00 0.00 C ATOM 1399 C LEU A 87 2.760 -12.314 2.004 1.00 0.00 C ATOM 1400 O LEU A 87 2.352 -13.477 1.996 1.00 0.00 O ATOM 1401 CB LEU A 87 4.878 -11.618 0.850 1.00 0.00 C ATOM 1402 CG LEU A 87 5.583 -12.972 0.972 1.00 0.00 C ATOM 1403 CD1 LEU A 87 5.331 -13.824 -0.264 1.00 0.00 C ATOM 1404 CD2 LEU A 87 7.075 -12.777 1.188 1.00 0.00 C ATOM 0 H LEU A 87 3.484 -9.599 0.597 1.00 0.00 H new ATOM 0 HA LEU A 87 3.082 -12.316 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.269 -11.100 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.135 -11.013 1.719 1.00 0.00 H new ATOM 0 HG LEU A 87 5.173 -13.494 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.841 -14.781 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.260 -13.994 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.711 -13.308 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.561 -13.749 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.497 -12.233 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.239 -12.209 2.104 1.00 0.00 H new ATOM 1416 N GLN A 88 2.694 -11.538 3.083 1.00 0.00 N ATOM 1417 CA GLN A 88 2.232 -12.054 4.372 1.00 0.00 C ATOM 1418 C GLN A 88 0.746 -12.412 4.335 1.00 0.00 C ATOM 1419 O GLN A 88 0.280 -13.213 5.142 1.00 0.00 O ATOM 1420 CB GLN A 88 2.522 -11.054 5.502 1.00 0.00 C ATOM 1421 CG GLN A 88 1.863 -9.695 5.324 1.00 0.00 C ATOM 1422 CD GLN A 88 2.269 -8.696 6.393 1.00 0.00 C ATOM 1423 OE1 GLN A 88 3.279 -8.010 6.264 1.00 0.00 O ATOM 1424 NE2 GLN A 88 1.474 -8.586 7.443 1.00 0.00 N ATOM 0 H GLN A 88 2.954 -10.552 3.092 1.00 0.00 H new ATOM 0 HA GLN A 88 2.788 -12.969 4.574 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.189 -11.485 6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.600 -10.914 5.579 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.124 -9.296 4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.780 -9.817 5.341 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.643 -9.173 7.517 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.692 -7.915 8.179 1.00 0.00 H new ATOM 1433 N SER A 89 0.014 -11.840 3.390 1.00 0.00 N ATOM 1434 CA SER A 89 -1.400 -12.146 3.241 1.00 0.00 C ATOM 1435 C SER A 89 -1.604 -13.556 2.692 1.00 0.00 C ATOM 1436 O SER A 89 -2.654 -14.165 2.902 1.00 0.00 O ATOM 1437 CB SER A 89 -2.078 -11.127 2.326 1.00 0.00 C ATOM 1438 OG SER A 89 -2.030 -9.829 2.888 1.00 0.00 O ATOM 0 H SER A 89 0.375 -11.164 2.717 1.00 0.00 H new ATOM 0 HA SER A 89 -1.856 -12.093 4.230 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.587 -11.124 1.353 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.115 -11.417 2.159 1.00 0.00 H new ATOM 0 HG SER A 89 -1.225 -9.366 2.574 1.00 0.00 H new ATOM 1444 N TYR A 90 -0.599 -14.079 1.996 1.00 0.00 N ATOM 1445 CA TYR A 90 -0.701 -15.412 1.419 1.00 0.00 C ATOM 1446 C TYR A 90 0.042 -16.442 2.262 1.00 0.00 C ATOM 1447 O TYR A 90 -0.556 -17.403 2.740 1.00 0.00 O ATOM 1448 CB TYR A 90 -0.166 -15.426 -0.015 1.00 0.00 C ATOM 1449 CG TYR A 90 -0.916 -14.507 -0.951 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -2.269 -14.689 -1.201 1.00 0.00 C ATOM 1451 CD2 TYR A 90 -0.271 -13.450 -1.577 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -2.957 -13.847 -2.052 1.00 0.00 C ATOM 1453 CE2 TYR A 90 -0.951 -12.603 -2.429 1.00 0.00 C ATOM 1454 CZ TYR A 90 -2.294 -12.804 -2.663 1.00 0.00 C ATOM 1455 OH TYR A 90 -2.974 -11.962 -3.513 1.00 0.00 O ATOM 0 H TYR A 90 0.286 -13.604 1.820 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.757 -15.681 1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.886 -15.140 -0.004 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.215 -16.444 -0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.793 -15.503 -0.722 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.781 -13.287 -1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.009 -14.005 -2.238 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.433 -11.787 -2.910 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.360 -11.280 -3.858 1.00 0.00 H new ATOM 1465 N VAL A 91 1.338 -16.226 2.466 1.00 0.00 N ATOM 1466 CA VAL A 91 2.168 -17.199 3.178 1.00 0.00 C ATOM 1467 C VAL A 91 1.927 -17.149 4.686 1.00 0.00 C ATOM 1468 O VAL A 91 2.287 -18.078 5.413 1.00 0.00 O ATOM 1469 CB VAL A 91 3.668 -16.990 2.893 1.00 0.00 C ATOM 1470 CG1 VAL A 91 3.952 -17.142 1.408 1.00 0.00 C ATOM 1471 CG2 VAL A 91 4.135 -15.634 3.394 1.00 0.00 C ATOM 0 H VAL A 91 1.836 -15.393 2.152 1.00 0.00 H new ATOM 0 HA VAL A 91 1.875 -18.181 2.806 1.00 0.00 H new ATOM 0 HB VAL A 91 4.226 -17.756 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.016 -16.991 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.666 -18.142 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.379 -16.401 0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.197 -15.513 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.572 -14.847 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.972 -15.568 4.470 1.00 0.00 H new ATOM 1481 N HIS A 92 1.332 -16.046 5.145 1.00 0.00 N ATOM 1482 CA HIS A 92 0.935 -15.885 6.547 1.00 0.00 C ATOM 1483 C HIS A 92 2.120 -16.035 7.498 1.00 0.00 C ATOM 1484 O HIS A 92 2.001 -16.655 8.554 1.00 0.00 O ATOM 1485 CB HIS A 92 -0.163 -16.892 6.916 1.00 0.00 C ATOM 1486 CG HIS A 92 -1.412 -16.743 6.101 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -2.110 -17.814 5.595 1.00 0.00 N ATOM 1488 CD2 HIS A 92 -2.081 -15.637 5.696 1.00 0.00 C ATOM 1489 CE1 HIS A 92 -3.150 -17.378 4.912 1.00 0.00 C ATOM 1490 NE2 HIS A 92 -3.159 -16.057 4.954 1.00 0.00 N ATOM 0 H HIS A 92 1.112 -15.241 4.558 1.00 0.00 H new ATOM 0 HA HIS A 92 0.546 -14.872 6.656 1.00 0.00 H new ATOM 0 HB2 HIS A 92 0.225 -17.903 6.789 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -0.411 -16.776 7.971 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -1.816 -14.613 5.916 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.874 -17.997 4.403 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -3.850 -15.451 4.511 1.00 0.00 H new ATOM 1499 N HIS A 93 3.254 -15.431 7.141 1.00 0.00 N ATOM 1500 CA HIS A 93 4.446 -15.489 7.995 1.00 0.00 C ATOM 1501 C HIS A 93 4.364 -14.473 9.131 1.00 0.00 C ATOM 1502 O HIS A 93 5.380 -14.039 9.670 1.00 0.00 O ATOM 1503 CB HIS A 93 5.744 -15.293 7.183 1.00 0.00 C ATOM 1504 CG HIS A 93 5.887 -13.979 6.455 1.00 0.00 C ATOM 1505 ND1 HIS A 93 6.362 -13.898 5.165 1.00 0.00 N ATOM 1506 CD2 HIS A 93 5.660 -12.700 6.843 1.00 0.00 C ATOM 1507 CE1 HIS A 93 6.420 -12.636 4.793 1.00 0.00 C ATOM 1508 NE2 HIS A 93 6.002 -11.883 5.790 1.00 0.00 N ATOM 0 H HIS A 93 3.375 -14.902 6.278 1.00 0.00 H new ATOM 0 HA HIS A 93 4.476 -16.487 8.431 1.00 0.00 H new ATOM 0 HB2 HIS A 93 6.591 -15.402 7.861 1.00 0.00 H new ATOM 0 HB3 HIS A 93 5.815 -16.098 6.452 1.00 0.00 H new ATOM 0 HD2 HIS A 93 5.280 -12.381 7.802 1.00 0.00 H new ATOM 0 HE1 HIS A 93 6.755 -12.278 3.831 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.942 -10.865 5.783 1.00 0.00 H new ATOM 1517 N ILE A 94 3.145 -14.127 9.502 1.00 0.00 N ATOM 1518 CA ILE A 94 2.896 -13.153 10.547 1.00 0.00 C ATOM 1519 C ILE A 94 1.525 -13.427 11.154 1.00 0.00 C ATOM 1520 O ILE A 94 0.651 -13.977 10.481 1.00 0.00 O ATOM 1521 CB ILE A 94 2.959 -11.712 9.992 1.00 0.00 C ATOM 1522 CG1 ILE A 94 2.872 -10.683 11.125 1.00 0.00 C ATOM 1523 CG2 ILE A 94 1.850 -11.484 8.974 1.00 0.00 C ATOM 1524 CD1 ILE A 94 3.071 -9.257 10.663 1.00 0.00 C ATOM 0 H ILE A 94 2.298 -14.515 9.086 1.00 0.00 H new ATOM 0 HA ILE A 94 3.667 -13.244 11.312 1.00 0.00 H new ATOM 0 HB ILE A 94 3.919 -11.582 9.493 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.898 -10.767 11.607 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.623 -10.920 11.879 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.909 -10.464 8.594 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.964 -12.187 8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.882 -11.638 9.450 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.996 -8.584 11.517 1.00 0.00 H new ATOM 0 HD12 ILE A 94 4.056 -9.156 10.207 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.304 -9.001 9.931 1.00 0.00 H new ATOM 1536 N HIS A 95 1.334 -13.071 12.414 1.00 0.00 N ATOM 1537 CA HIS A 95 0.088 -13.393 13.099 1.00 0.00 C ATOM 1538 C HIS A 95 -0.855 -12.193 13.157 1.00 0.00 C ATOM 1539 O HIS A 95 -0.465 -11.069 12.832 1.00 0.00 O ATOM 1540 CB HIS A 95 0.363 -13.928 14.504 1.00 0.00 C ATOM 1541 CG HIS A 95 1.149 -15.204 14.510 1.00 0.00 C ATOM 1542 ND1 HIS A 95 0.893 -16.249 13.646 1.00 0.00 N ATOM 1543 CD2 HIS A 95 2.200 -15.597 15.266 1.00 0.00 C ATOM 1544 CE1 HIS A 95 1.751 -17.224 13.870 1.00 0.00 C ATOM 1545 NE2 HIS A 95 2.555 -16.855 14.847 1.00 0.00 N ATOM 0 H HIS A 95 2.015 -12.565 12.980 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.407 -14.173 12.520 1.00 0.00 H new ATOM 0 HB2 HIS A 95 0.905 -13.173 15.073 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -0.586 -14.092 15.015 1.00 0.00 H new ATOM 0 HD2 HIS A 95 2.672 -15.027 16.053 1.00 0.00 H new ATOM 0 HE1 HIS A 95 1.789 -18.166 13.342 1.00 0.00 H new ATOM 0 HE2 HIS A 95 3.318 -17.414 15.230 1.00 0.00 H new ATOM 1554 N LYS A 96 -2.084 -12.455 13.607 1.00 0.00 N ATOM 1555 CA LYS A 96 -3.193 -11.491 13.565 1.00 0.00 C ATOM 1556 C LYS A 96 -2.801 -10.113 14.088 1.00 0.00 C ATOM 1557 O LYS A 96 -2.964 -9.104 13.397 1.00 0.00 O ATOM 1558 CB LYS A 96 -4.360 -12.000 14.413 1.00 0.00 C ATOM 1559 CG LYS A 96 -4.746 -13.442 14.151 1.00 0.00 C ATOM 1560 CD LYS A 96 -5.799 -13.909 15.141 1.00 0.00 C ATOM 1561 CE LYS A 96 -6.045 -15.406 15.039 1.00 0.00 C ATOM 1562 NZ LYS A 96 -4.814 -16.194 15.321 1.00 0.00 N ATOM 0 H LYS A 96 -2.343 -13.353 14.016 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.475 -11.395 12.516 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.101 -11.892 15.466 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.228 -11.366 14.231 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.127 -13.542 13.135 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.864 -14.078 14.225 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.481 -13.661 16.154 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.731 -13.374 14.959 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.828 -15.693 15.741 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.408 -15.646 14.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.075 -17.172 15.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.201 -16.193 14.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.305 -15.768 16.121 1.00 0.00 H new ATOM 1576 N LYS A 97 -2.279 -10.085 15.306 1.00 0.00 N ATOM 1577 CA LYS A 97 -2.057 -8.839 16.026 1.00 0.00 C ATOM 1578 C LYS A 97 -1.091 -7.925 15.280 1.00 0.00 C ATOM 1579 O LYS A 97 -1.328 -6.723 15.154 1.00 0.00 O ATOM 1580 CB LYS A 97 -1.527 -9.153 17.423 1.00 0.00 C ATOM 1581 CG LYS A 97 -1.546 -7.979 18.382 1.00 0.00 C ATOM 1582 CD LYS A 97 -1.241 -8.444 19.791 1.00 0.00 C ATOM 1583 CE LYS A 97 -1.340 -7.316 20.800 1.00 0.00 C ATOM 1584 NZ LYS A 97 -1.273 -7.833 22.191 1.00 0.00 N ATOM 0 H LYS A 97 -1.999 -10.920 15.821 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.006 -8.309 16.105 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.119 -9.963 17.849 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.504 -9.518 17.336 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.813 -7.235 18.071 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.522 -7.495 18.355 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.934 -9.239 20.068 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.238 -8.870 19.822 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.531 -6.604 20.634 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.275 -6.775 20.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.343 -7.040 22.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.059 -8.494 22.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.370 -8.328 22.334 1.00 0.00 H new ATOM 1598 N ARG A 98 -0.014 -8.496 14.765 1.00 0.00 N ATOM 1599 CA ARG A 98 0.989 -7.709 14.064 1.00 0.00 C ATOM 1600 C ARG A 98 0.527 -7.398 12.643 1.00 0.00 C ATOM 1601 O ARG A 98 0.842 -6.343 12.098 1.00 0.00 O ATOM 1602 CB ARG A 98 2.334 -8.438 14.049 1.00 0.00 C ATOM 1603 CG ARG A 98 2.847 -8.787 15.438 1.00 0.00 C ATOM 1604 CD ARG A 98 4.284 -9.290 15.400 1.00 0.00 C ATOM 1605 NE ARG A 98 5.204 -8.266 14.907 1.00 0.00 N ATOM 1606 CZ ARG A 98 6.227 -7.777 15.607 1.00 0.00 C ATOM 1607 NH1 ARG A 98 6.498 -8.250 16.819 1.00 0.00 N ATOM 1608 NH2 ARG A 98 6.987 -6.824 15.081 1.00 0.00 N ATOM 0 H ARG A 98 0.188 -9.494 14.818 1.00 0.00 H new ATOM 0 HA ARG A 98 1.120 -6.767 14.596 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.236 -9.353 13.465 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.071 -7.814 13.543 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.786 -7.908 16.079 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.206 -9.550 15.881 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.587 -9.600 16.400 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.344 -10.171 14.761 1.00 0.00 H new ATOM 0 HE ARG A 98 5.053 -7.902 13.966 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.922 -8.991 17.218 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.282 -7.872 17.350 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.786 -6.470 14.146 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.771 -6.446 15.612 1.00 0.00 H new ATOM 1622 N PHE A 99 -0.240 -8.314 12.060 1.00 0.00 N ATOM 1623 CA PHE A 99 -0.774 -8.134 10.713 1.00 0.00 C ATOM 1624 C PHE A 99 -1.689 -6.911 10.662 1.00 0.00 C ATOM 1625 O PHE A 99 -1.569 -6.058 9.777 1.00 0.00 O ATOM 1626 CB PHE A 99 -1.547 -9.393 10.289 1.00 0.00 C ATOM 1627 CG PHE A 99 -2.063 -9.364 8.874 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -3.278 -8.768 8.571 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -1.334 -9.946 7.848 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -3.750 -8.749 7.273 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -1.804 -9.929 6.550 1.00 0.00 C ATOM 1632 CZ PHE A 99 -3.012 -9.330 6.262 1.00 0.00 C ATOM 0 H PHE A 99 -0.507 -9.194 12.502 1.00 0.00 H new ATOM 0 HA PHE A 99 0.054 -7.974 10.023 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.897 -10.260 10.407 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.390 -9.532 10.967 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.861 -8.314 9.358 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.388 -10.418 8.067 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.697 -8.279 7.049 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.225 -10.385 5.760 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.380 -9.316 5.247 1.00 0.00 H new ATOM 1642 N LYS A 100 -2.592 -6.832 11.632 1.00 0.00 N ATOM 1643 CA LYS A 100 -3.573 -5.756 11.698 1.00 0.00 C ATOM 1644 C LYS A 100 -2.879 -4.415 11.926 1.00 0.00 C ATOM 1645 O LYS A 100 -3.223 -3.414 11.303 1.00 0.00 O ATOM 1646 CB LYS A 100 -4.573 -6.050 12.828 1.00 0.00 C ATOM 1647 CG LYS A 100 -6.011 -5.645 12.524 1.00 0.00 C ATOM 1648 CD LYS A 100 -6.210 -4.139 12.565 1.00 0.00 C ATOM 1649 CE LYS A 100 -7.660 -3.771 12.287 1.00 0.00 C ATOM 1650 NZ LYS A 100 -7.917 -2.318 12.469 1.00 0.00 N ATOM 0 H LYS A 100 -2.665 -7.509 12.392 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.111 -5.698 10.752 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.549 -7.117 13.048 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.246 -5.531 13.729 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.290 -6.019 11.539 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.679 -6.117 13.245 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.915 -3.756 13.542 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.563 -3.663 11.828 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.917 -4.058 11.267 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.311 -4.339 12.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.942 -2.151 12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.468 -1.994 13.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.521 -1.792 11.664 1.00 0.00 H new ATOM 1664 N ASP A 101 -1.876 -4.415 12.796 1.00 0.00 N ATOM 1665 CA ASP A 101 -1.163 -3.190 13.154 1.00 0.00 C ATOM 1666 C ASP A 101 -0.342 -2.673 11.979 1.00 0.00 C ATOM 1667 O ASP A 101 -0.265 -1.464 11.750 1.00 0.00 O ATOM 1668 CB ASP A 101 -0.256 -3.443 14.356 1.00 0.00 C ATOM 1669 CG ASP A 101 0.184 -2.159 15.032 1.00 0.00 C ATOM 1670 OD1 ASP A 101 -0.418 -1.100 14.759 1.00 0.00 O ATOM 1671 OD2 ASP A 101 1.117 -2.207 15.862 1.00 0.00 O ATOM 0 H ASP A 101 -1.535 -5.252 13.269 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.900 -2.431 13.415 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.781 -4.068 15.078 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.624 -3.999 14.033 1.00 0.00 H new ATOM 1676 N ILE A 102 0.273 -3.579 11.232 1.00 0.00 N ATOM 1677 CA ILE A 102 0.982 -3.189 10.019 1.00 0.00 C ATOM 1678 C ILE A 102 0.012 -2.555 9.028 1.00 0.00 C ATOM 1679 O ILE A 102 0.295 -1.502 8.457 1.00 0.00 O ATOM 1680 CB ILE A 102 1.715 -4.379 9.358 1.00 0.00 C ATOM 1681 CG1 ILE A 102 2.872 -4.846 10.248 1.00 0.00 C ATOM 1682 CG2 ILE A 102 2.225 -4.004 7.972 1.00 0.00 C ATOM 1683 CD1 ILE A 102 3.702 -5.956 9.640 1.00 0.00 C ATOM 0 H ILE A 102 0.297 -4.577 11.440 1.00 0.00 H new ATOM 0 HA ILE A 102 1.741 -2.461 10.307 1.00 0.00 H new ATOM 0 HB ILE A 102 1.006 -5.199 9.244 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.520 -3.996 10.461 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.469 -5.187 11.202 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.737 -4.858 7.529 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.384 -3.717 7.340 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.919 -3.168 8.054 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.501 -6.232 10.329 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.069 -6.823 9.452 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.135 -5.613 8.700 1.00 0.00 H new ATOM 1695 N THR A 103 -1.148 -3.184 8.861 1.00 0.00 N ATOM 1696 CA THR A 103 -2.193 -2.647 8.001 1.00 0.00 C ATOM 1697 C THR A 103 -2.594 -1.242 8.461 1.00 0.00 C ATOM 1698 O THR A 103 -2.698 -0.318 7.653 1.00 0.00 O ATOM 1699 CB THR A 103 -3.430 -3.569 8.003 1.00 0.00 C ATOM 1700 OG1 THR A 103 -3.035 -4.917 7.698 1.00 0.00 O ATOM 1701 CG2 THR A 103 -4.463 -3.100 6.986 1.00 0.00 C ATOM 0 H THR A 103 -1.386 -4.067 9.312 1.00 0.00 H new ATOM 0 HA THR A 103 -1.800 -2.591 6.986 1.00 0.00 H new ATOM 0 HB THR A 103 -3.879 -3.533 8.996 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.606 -5.318 8.483 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.324 -3.767 7.008 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.782 -2.087 7.232 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.022 -3.109 5.989 1.00 0.00 H new ATOM 1709 N GLU A 104 -2.791 -1.090 9.768 1.00 0.00 N ATOM 1710 CA GLU A 104 -3.100 0.208 10.368 1.00 0.00 C ATOM 1711 C GLU A 104 -2.031 1.243 10.031 1.00 0.00 C ATOM 1712 O GLU A 104 -2.342 2.349 9.589 1.00 0.00 O ATOM 1713 CB GLU A 104 -3.216 0.064 11.886 1.00 0.00 C ATOM 1714 CG GLU A 104 -4.474 -0.651 12.342 1.00 0.00 C ATOM 1715 CD GLU A 104 -5.737 0.054 11.897 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -5.980 1.192 12.350 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -6.507 -0.535 11.112 1.00 0.00 O ATOM 0 H GLU A 104 -2.742 -1.857 10.439 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.049 0.552 9.957 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.347 -0.479 12.257 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.189 1.055 12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.472 -1.668 11.949 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.469 -0.729 13.429 1.00 0.00 H new ATOM 1724 N SER A 105 -0.775 0.869 10.232 1.00 0.00 N ATOM 1725 CA SER A 105 0.350 1.760 9.973 1.00 0.00 C ATOM 1726 C SER A 105 0.375 2.210 8.511 1.00 0.00 C ATOM 1727 O SER A 105 0.633 3.380 8.214 1.00 0.00 O ATOM 1728 CB SER A 105 1.658 1.055 10.339 1.00 0.00 C ATOM 1729 OG SER A 105 1.603 0.549 11.667 1.00 0.00 O ATOM 0 H SER A 105 -0.507 -0.053 10.576 1.00 0.00 H new ATOM 0 HA SER A 105 0.236 2.651 10.590 1.00 0.00 H new ATOM 0 HB2 SER A 105 1.844 0.239 9.641 1.00 0.00 H new ATOM 0 HB3 SER A 105 2.491 1.752 10.244 1.00 0.00 H new ATOM 0 HG SER A 105 1.050 -0.260 11.686 1.00 0.00 H new ATOM 1735 N VAL A 106 0.095 1.281 7.603 1.00 0.00 N ATOM 1736 CA VAL A 106 0.046 1.596 6.182 1.00 0.00 C ATOM 1737 C VAL A 106 -1.138 2.515 5.881 1.00 0.00 C ATOM 1738 O VAL A 106 -0.977 3.562 5.252 1.00 0.00 O ATOM 1739 CB VAL A 106 -0.048 0.317 5.319 1.00 0.00 C ATOM 1740 CG1 VAL A 106 -0.112 0.665 3.840 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.134 -0.601 5.593 1.00 0.00 C ATOM 0 H VAL A 106 -0.101 0.305 7.827 1.00 0.00 H new ATOM 0 HA VAL A 106 0.974 2.108 5.927 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.966 -0.205 5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.178 -0.251 3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.990 1.282 3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.786 1.214 3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.050 -1.496 4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.062 -0.081 5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.138 -0.885 6.645 1.00 0.00 H new ATOM 1751 N LEU A 107 -2.319 2.133 6.364 1.00 0.00 N ATOM 1752 CA LEU A 107 -3.535 2.911 6.135 1.00 0.00 C ATOM 1753 C LEU A 107 -3.397 4.332 6.679 1.00 0.00 C ATOM 1754 O LEU A 107 -3.785 5.293 6.015 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.747 2.218 6.766 1.00 0.00 C ATOM 1756 CG LEU A 107 -5.215 0.945 6.051 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -6.386 0.316 6.787 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -5.598 1.258 4.611 1.00 0.00 C ATOM 0 H LEU A 107 -2.460 1.288 6.917 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.688 2.975 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.506 1.968 7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.576 2.925 6.795 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.392 0.231 6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.703 -0.586 6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.082 0.059 7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.214 1.023 6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.928 0.345 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.406 1.989 4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.734 1.664 4.085 1.00 0.00 H new ATOM 1770 N TYR A 108 -2.844 4.454 7.883 1.00 0.00 N ATOM 1771 CA TYR A 108 -2.583 5.762 8.484 1.00 0.00 C ATOM 1772 C TYR A 108 -1.762 6.636 7.540 1.00 0.00 C ATOM 1773 O TYR A 108 -2.146 7.764 7.225 1.00 0.00 O ATOM 1774 CB TYR A 108 -1.850 5.593 9.822 1.00 0.00 C ATOM 1775 CG TYR A 108 -1.346 6.888 10.427 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -2.211 7.768 11.069 1.00 0.00 C ATOM 1777 CD2 TYR A 108 0.001 7.229 10.357 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -1.747 8.950 11.618 1.00 0.00 C ATOM 1779 CE2 TYR A 108 0.470 8.407 10.903 1.00 0.00 C ATOM 1780 CZ TYR A 108 -0.405 9.263 11.533 1.00 0.00 C ATOM 1781 OH TYR A 108 0.064 10.442 12.075 1.00 0.00 O ATOM 0 H TYR A 108 -2.567 3.662 8.464 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.539 6.255 8.664 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.522 5.112 10.532 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.005 4.921 9.677 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.261 7.525 11.140 1.00 0.00 H new ATOM 0 HD2 TYR A 108 0.692 6.560 9.867 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.431 9.625 12.111 1.00 0.00 H new ATOM 0 HE2 TYR A 108 1.519 8.656 10.836 1.00 0.00 H new ATOM 0 HH TYR A 108 1.031 10.507 11.929 1.00 0.00 H new ATOM 1791 N THR A 109 -0.648 6.093 7.076 1.00 0.00 N ATOM 1792 CA THR A 109 0.247 6.815 6.187 1.00 0.00 C ATOM 1793 C THR A 109 -0.437 7.148 4.860 1.00 0.00 C ATOM 1794 O THR A 109 -0.318 8.265 4.355 1.00 0.00 O ATOM 1795 CB THR A 109 1.523 5.996 5.922 1.00 0.00 C ATOM 1796 OG1 THR A 109 2.117 5.612 7.170 1.00 0.00 O ATOM 1797 CG2 THR A 109 2.528 6.794 5.103 1.00 0.00 C ATOM 0 H THR A 109 -0.341 5.147 7.303 1.00 0.00 H new ATOM 0 HA THR A 109 0.516 7.749 6.680 1.00 0.00 H new ATOM 0 HB THR A 109 1.247 5.108 5.354 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.625 4.852 7.546 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.419 6.190 4.932 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.084 7.065 4.145 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.802 7.699 5.645 1.00 0.00 H new ATOM 1805 N LEU A 110 -1.176 6.186 4.318 1.00 0.00 N ATOM 1806 CA LEU A 110 -1.846 6.361 3.034 1.00 0.00 C ATOM 1807 C LEU A 110 -2.867 7.491 3.084 1.00 0.00 C ATOM 1808 O LEU A 110 -3.019 8.242 2.120 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.524 5.060 2.603 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.569 3.917 2.265 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -2.347 2.655 1.922 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -0.661 4.315 1.114 1.00 0.00 C ATOM 0 H LEU A 110 -1.327 5.274 4.749 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.085 6.628 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.190 4.733 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.146 5.263 1.732 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.951 3.709 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.650 1.851 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.960 2.363 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.989 2.846 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.015 3.492 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.265 4.546 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.080 5.193 1.396 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.559 7.617 4.208 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.531 8.692 4.378 1.00 0.00 C ATOM 1826 C HIS A 111 -3.823 10.036 4.363 1.00 0.00 C ATOM 1827 O HIS A 111 -4.292 10.997 3.749 1.00 0.00 O ATOM 1828 CB HIS A 111 -5.294 8.551 5.699 1.00 0.00 C ATOM 1829 CG HIS A 111 -6.140 7.320 5.821 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -6.783 6.980 6.987 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.439 6.344 4.929 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -7.436 5.849 6.813 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -7.247 5.440 5.573 1.00 0.00 N ATOM 0 H HIS A 111 -3.468 6.994 5.011 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.241 8.629 3.554 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.575 8.560 6.518 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.933 9.425 5.826 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -6.104 6.288 3.904 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -8.027 5.341 7.561 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.637 4.592 5.161 1.00 0.00 H new ATOM 1842 N ALA A 112 -2.677 10.086 5.033 1.00 0.00 N ATOM 1843 CA ALA A 112 -1.907 11.313 5.148 1.00 0.00 C ATOM 1844 C ALA A 112 -1.388 11.747 3.789 1.00 0.00 C ATOM 1845 O ALA A 112 -1.391 12.931 3.465 1.00 0.00 O ATOM 1846 CB ALA A 112 -0.756 11.127 6.126 1.00 0.00 C ATOM 0 H ALA A 112 -2.261 9.284 5.507 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.561 12.097 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -0.189 12.055 6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.151 10.863 7.107 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.102 10.330 5.771 1.00 0.00 H new ATOM 1852 N VAL A 113 -0.959 10.777 2.991 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.448 11.063 1.662 1.00 0.00 C ATOM 1854 C VAL A 113 -1.583 11.520 0.757 1.00 0.00 C ATOM 1855 O VAL A 113 -1.460 12.518 0.049 1.00 0.00 O ATOM 1856 CB VAL A 113 0.245 9.831 1.037 1.00 0.00 C ATOM 1857 CG1 VAL A 113 0.741 10.141 -0.371 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.394 9.368 1.918 1.00 0.00 C ATOM 0 H VAL A 113 -0.956 9.789 3.243 1.00 0.00 H new ATOM 0 HA VAL A 113 0.294 11.856 1.758 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.487 9.026 0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.225 9.258 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.103 10.424 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.456 10.963 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.873 8.500 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.122 10.173 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.012 9.099 2.903 1.00 0.00 H new ATOM 1868 N LYS A 114 -2.697 10.796 0.815 1.00 0.00 N ATOM 1869 CA LYS A 114 -3.854 11.088 -0.020 1.00 0.00 C ATOM 1870 C LYS A 114 -4.345 12.520 0.184 1.00 0.00 C ATOM 1871 O LYS A 114 -4.550 13.258 -0.783 1.00 0.00 O ATOM 1872 CB LYS A 114 -4.991 10.100 0.266 1.00 0.00 C ATOM 1873 CG LYS A 114 -6.246 10.394 -0.544 1.00 0.00 C ATOM 1874 CD LYS A 114 -7.129 9.169 -0.722 1.00 0.00 C ATOM 1875 CE LYS A 114 -7.580 8.580 0.601 1.00 0.00 C ATOM 1876 NZ LYS A 114 -8.593 7.513 0.401 1.00 0.00 N ATOM 0 H LYS A 114 -2.821 9.997 1.437 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.542 10.980 -1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.651 9.088 0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.234 10.131 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.817 11.180 -0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.960 10.776 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.004 9.439 -1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.585 8.412 -1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.720 8.172 1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.998 9.368 1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.819 7.073 1.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.456 7.926 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.215 6.792 -0.246 1.00 0.00 H new ATOM 1890 N ASP A 115 -4.512 12.912 1.442 1.00 0.00 N ATOM 1891 CA ASP A 115 -5.032 14.237 1.756 1.00 0.00 C ATOM 1892 C ASP A 115 -4.055 15.325 1.319 1.00 0.00 C ATOM 1893 O ASP A 115 -4.470 16.375 0.830 1.00 0.00 O ATOM 1894 CB ASP A 115 -5.340 14.371 3.249 1.00 0.00 C ATOM 1895 CG ASP A 115 -6.098 15.649 3.556 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -7.227 15.810 3.044 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -5.578 16.495 4.313 1.00 0.00 O ATOM 0 H ASP A 115 -4.297 12.336 2.256 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.962 14.364 1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.926 13.513 3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.409 14.356 3.815 1.00 0.00 H new ATOM 1902 N GLU A 116 -2.760 15.058 1.477 1.00 0.00 N ATOM 1903 CA GLU A 116 -1.724 15.989 1.042 1.00 0.00 C ATOM 1904 C GLU A 116 -1.762 16.174 -0.474 1.00 0.00 C ATOM 1905 O GLU A 116 -1.669 17.295 -0.960 1.00 0.00 O ATOM 1906 CB GLU A 116 -0.338 15.505 1.480 1.00 0.00 C ATOM 1907 CG GLU A 116 -0.075 15.646 2.973 1.00 0.00 C ATOM 1908 CD GLU A 116 0.141 17.082 3.408 1.00 0.00 C ATOM 1909 OE1 GLU A 116 1.287 17.572 3.285 1.00 0.00 O ATOM 1910 OE2 GLU A 116 -0.819 17.721 3.888 1.00 0.00 O ATOM 0 H GLU A 116 -2.404 14.203 1.904 1.00 0.00 H new ATOM 0 HA GLU A 116 -1.920 16.952 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.225 14.458 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.421 16.065 0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.917 15.229 3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 116 0.803 15.057 3.238 1.00 0.00 H new ATOM 1917 N ILE A 117 -1.918 15.078 -1.216 1.00 0.00 N ATOM 1918 CA ILE A 117 -1.973 15.142 -2.678 1.00 0.00 C ATOM 1919 C ILE A 117 -3.061 16.110 -3.140 1.00 0.00 C ATOM 1920 O ILE A 117 -2.807 17.017 -3.934 1.00 0.00 O ATOM 1921 CB ILE A 117 -2.237 13.753 -3.305 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -1.120 12.774 -2.937 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -2.365 13.866 -4.820 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -1.388 11.356 -3.393 1.00 0.00 C ATOM 0 H ILE A 117 -2.008 14.138 -0.831 1.00 0.00 H new ATOM 0 HA ILE A 117 -0.999 15.497 -3.013 1.00 0.00 H new ATOM 0 HB ILE A 117 -3.176 13.371 -2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -0.185 13.119 -3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -0.983 12.780 -1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -2.550 12.879 -5.244 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -3.194 14.529 -5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -1.442 14.271 -5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -0.556 10.716 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -2.306 10.993 -2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -1.495 11.337 -4.478 1.00 0.00 H new ATOM 1936 N ALA A 118 -4.268 15.921 -2.623 1.00 0.00 N ATOM 1937 CA ALA A 118 -5.394 16.776 -2.978 1.00 0.00 C ATOM 1938 C ALA A 118 -5.214 18.182 -2.411 1.00 0.00 C ATOM 1939 O ALA A 118 -5.721 19.159 -2.967 1.00 0.00 O ATOM 1940 CB ALA A 118 -6.696 16.168 -2.484 1.00 0.00 C ATOM 0 H ALA A 118 -4.493 15.183 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.433 16.852 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -7.528 16.818 -2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.836 15.188 -2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.659 16.061 -1.400 1.00 0.00 H new ATOM 1946 N ARG A 119 -4.483 18.272 -1.308 1.00 0.00 N ATOM 1947 CA ARG A 119 -4.207 19.543 -0.647 1.00 0.00 C ATOM 1948 C ARG A 119 -3.286 20.410 -1.497 1.00 0.00 C ATOM 1949 O ARG A 119 -3.583 21.574 -1.760 1.00 0.00 O ATOM 1950 CB ARG A 119 -3.560 19.276 0.708 1.00 0.00 C ATOM 1951 CG ARG A 119 -3.303 20.518 1.540 1.00 0.00 C ATOM 1952 CD ARG A 119 -2.565 20.155 2.813 1.00 0.00 C ATOM 1953 NE ARG A 119 -2.460 21.276 3.737 1.00 0.00 N ATOM 1954 CZ ARG A 119 -1.900 21.179 4.936 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -1.376 20.024 5.334 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -1.850 22.234 5.739 1.00 0.00 N ATOM 0 H ARG A 119 -4.064 17.466 -0.845 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.147 20.078 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.201 18.601 1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.614 18.759 0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.718 21.235 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -4.248 21.002 1.785 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.080 19.330 3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -1.565 19.801 2.561 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.835 22.180 3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -1.404 19.212 4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -0.946 19.950 6.256 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -2.243 23.125 5.436 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -1.418 22.154 6.660 1.00 0.00 H new ATOM 1970 N GLU A 120 -2.169 19.832 -1.921 1.00 0.00 N ATOM 1971 CA GLU A 120 -1.200 20.544 -2.743 1.00 0.00 C ATOM 1972 C GLU A 120 -1.817 20.868 -4.101 1.00 0.00 C ATOM 1973 O GLU A 120 -1.580 21.941 -4.660 1.00 0.00 O ATOM 1974 CB GLU A 120 0.069 19.709 -2.918 1.00 0.00 C ATOM 1975 CG GLU A 120 0.587 19.084 -1.625 1.00 0.00 C ATOM 1976 CD GLU A 120 0.973 20.101 -0.566 1.00 0.00 C ATOM 1977 OE1 GLU A 120 0.082 20.785 -0.025 1.00 0.00 O ATOM 1978 OE2 GLU A 120 2.180 20.233 -0.274 1.00 0.00 O ATOM 0 H GLU A 120 -1.912 18.868 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.929 21.475 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.128 18.916 -3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.850 20.339 -3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.179 18.423 -1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 120 1.454 18.464 -1.854 1.00 0.00 H new