USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=17 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 Single : A 9 MET CE :methyl 175:sc= -2.94 (180deg=-3.41!) USER MOD Single : A 10 THR OG1 : rot 70:sc= 1.31 USER MOD Single : A 12 GLN : amide:sc= -1.61! C(o=-1.6!,f=-3.4!) USER MOD Single : A 13 MET CE :methyl -141:sc= -0.966 (180deg=-1.34) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.03) USER MOD Single : A 24 TYR OH : rot 30:sc= -0.159 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 41 LYS NZ :NH3+ 166:sc= -0.0121 (180deg=-0.186) USER MOD Single : A 47 ASN : amide:sc= -1.43! K(o=-1.4!,f=0.97) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.15) USER MOD Single : A 68 LYS NZ :NH3+ 154:sc= 2.27 (180deg=1.02) USER MOD Single : A 69 TYR OH : rot -120:sc= 1.95 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.78! C(o=-1.8!,f=-7!) USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= 0.974 (180deg=0.969) USER MOD Single : A 81 ASN : amide:sc= 1.21 K(o=1.2,f=-0.2) USER MOD Single : A 88 GLN : amide:sc= -4.37! C(o=-4.4!,f=-8.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 93 HIS : no HD1:sc= 0.711 K(o=0.71,f=-6.1!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0673 X(o=-0.067,f=-0.0027) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0794) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 105 SER OG : rot 69:sc= 1.08 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 81:sc= 0.973 USER MOD Single : A 111 HIS : no HD1:sc= -0.374 X(o=-0.37,f=0.07) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N LEU A 6 -2.202 10.095 -9.659 1.00 0.00 N ATOM 82 CA LEU A 6 -1.361 9.898 -8.487 1.00 0.00 C ATOM 83 C LEU A 6 -2.242 9.476 -7.319 1.00 0.00 C ATOM 84 O LEU A 6 -1.881 8.604 -6.525 1.00 0.00 O ATOM 85 CB LEU A 6 -0.609 11.187 -8.121 1.00 0.00 C ATOM 86 CG LEU A 6 0.379 11.065 -6.960 1.00 0.00 C ATOM 87 CD1 LEU A 6 1.499 10.095 -7.303 1.00 0.00 C ATOM 88 CD2 LEU A 6 0.944 12.430 -6.610 1.00 0.00 C ATOM 0 HA LEU A 6 -0.623 9.127 -8.709 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.068 11.534 -9.001 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.341 11.956 -7.873 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.153 10.673 -6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.189 10.024 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.078 9.111 -7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.034 10.453 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.646 12.332 -5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.460 12.843 -7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.132 13.096 -6.320 1.00 0.00 H new ATOM 100 N LEU A 7 -3.419 10.089 -7.245 1.00 0.00 N ATOM 101 CA LEU A 7 -4.350 9.845 -6.154 1.00 0.00 C ATOM 102 C LEU A 7 -5.081 8.521 -6.353 1.00 0.00 C ATOM 103 O LEU A 7 -5.318 7.785 -5.397 1.00 0.00 O ATOM 104 CB LEU A 7 -5.354 10.998 -6.054 1.00 0.00 C ATOM 105 CG LEU A 7 -6.300 10.939 -4.851 1.00 0.00 C ATOM 106 CD1 LEU A 7 -5.512 10.963 -3.551 1.00 0.00 C ATOM 107 CD2 LEU A 7 -7.293 12.089 -4.892 1.00 0.00 C ATOM 0 H LEU A 7 -3.751 10.763 -7.935 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.785 9.785 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.802 11.937 -6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.952 11.017 -6.965 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.857 10.003 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.201 10.920 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.842 10.104 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.928 11.882 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.956 12.028 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.754 13.036 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.883 12.028 -5.807 1.00 0.00 H new ATOM 119 N GLU A 8 -5.410 8.211 -7.602 1.00 0.00 N ATOM 120 CA GLU A 8 -6.113 6.973 -7.923 1.00 0.00 C ATOM 121 C GLU A 8 -5.208 5.770 -7.713 1.00 0.00 C ATOM 122 O GLU A 8 -5.648 4.717 -7.256 1.00 0.00 O ATOM 123 CB GLU A 8 -6.674 6.997 -9.355 1.00 0.00 C ATOM 124 CG GLU A 8 -5.933 7.897 -10.339 1.00 0.00 C ATOM 125 CD GLU A 8 -4.521 7.440 -10.628 1.00 0.00 C ATOM 126 OE1 GLU A 8 -3.608 7.825 -9.873 1.00 0.00 O ATOM 127 OE2 GLU A 8 -4.322 6.694 -11.610 1.00 0.00 O ATOM 0 H GLU A 8 -5.202 8.799 -8.409 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.960 6.887 -7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.668 5.979 -9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.716 7.316 -9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.492 7.938 -11.274 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.904 8.911 -9.941 1.00 0.00 H new ATOM 134 N MET A 9 -3.941 5.942 -8.040 1.00 0.00 N ATOM 135 CA MET A 9 -2.924 4.942 -7.748 1.00 0.00 C ATOM 136 C MET A 9 -2.822 4.729 -6.239 1.00 0.00 C ATOM 137 O MET A 9 -2.629 3.608 -5.770 1.00 0.00 O ATOM 138 CB MET A 9 -1.574 5.377 -8.316 1.00 0.00 C ATOM 139 CG MET A 9 -0.453 4.378 -8.076 1.00 0.00 C ATOM 140 SD MET A 9 1.137 4.975 -8.684 1.00 0.00 S ATOM 141 CE MET A 9 1.258 6.530 -7.801 1.00 0.00 C ATOM 0 H MET A 9 -3.586 6.773 -8.513 1.00 0.00 H new ATOM 0 HA MET A 9 -3.209 4.001 -8.218 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.678 5.541 -9.389 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.296 6.333 -7.873 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.377 4.170 -7.009 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.697 3.436 -8.567 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.229 6.985 -7.997 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.468 7.201 -8.136 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.152 6.350 -6.731 1.00 0.00 H new ATOM 151 N THR A 10 -2.969 5.812 -5.487 1.00 0.00 N ATOM 152 CA THR A 10 -2.993 5.733 -4.035 1.00 0.00 C ATOM 153 C THR A 10 -4.243 4.984 -3.571 1.00 0.00 C ATOM 154 O THR A 10 -4.164 4.084 -2.735 1.00 0.00 O ATOM 155 CB THR A 10 -2.951 7.139 -3.399 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.793 7.848 -3.867 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.913 7.058 -1.878 1.00 0.00 C ATOM 0 H THR A 10 -3.073 6.756 -5.860 1.00 0.00 H new ATOM 0 HA THR A 10 -2.106 5.188 -3.711 1.00 0.00 H new ATOM 0 HB THR A 10 -3.857 7.669 -3.692 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.908 8.074 -4.813 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.884 8.065 -1.461 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.803 6.542 -1.519 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.025 6.510 -1.565 1.00 0.00 H new ATOM 165 N GLU A 11 -5.390 5.344 -4.145 1.00 0.00 N ATOM 166 CA GLU A 11 -6.651 4.664 -3.859 1.00 0.00 C ATOM 167 C GLU A 11 -6.555 3.177 -4.191 1.00 0.00 C ATOM 168 O GLU A 11 -7.123 2.342 -3.493 1.00 0.00 O ATOM 169 CB GLU A 11 -7.797 5.304 -4.649 1.00 0.00 C ATOM 170 CG GLU A 11 -8.243 6.652 -4.101 1.00 0.00 C ATOM 171 CD GLU A 11 -9.378 7.259 -4.901 1.00 0.00 C ATOM 172 OE1 GLU A 11 -10.438 6.607 -5.041 1.00 0.00 O ATOM 173 OE2 GLU A 11 -9.225 8.393 -5.394 1.00 0.00 O ATOM 0 H GLU A 11 -5.471 6.108 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.855 4.768 -2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.486 5.429 -5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.649 4.624 -4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.557 6.533 -3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.396 7.338 -4.100 1.00 0.00 H new ATOM 180 N GLN A 12 -5.839 2.858 -5.263 1.00 0.00 N ATOM 181 CA GLN A 12 -5.582 1.471 -5.635 1.00 0.00 C ATOM 182 C GLN A 12 -4.810 0.755 -4.529 1.00 0.00 C ATOM 183 O GLN A 12 -5.181 -0.340 -4.113 1.00 0.00 O ATOM 184 CB GLN A 12 -4.807 1.417 -6.957 1.00 0.00 C ATOM 185 CG GLN A 12 -4.252 0.042 -7.298 1.00 0.00 C ATOM 186 CD GLN A 12 -3.538 0.019 -8.637 1.00 0.00 C ATOM 187 OE1 GLN A 12 -3.024 1.038 -9.098 1.00 0.00 O ATOM 188 NE2 GLN A 12 -3.469 -1.151 -9.251 1.00 0.00 N ATOM 0 H GLN A 12 -5.424 3.545 -5.893 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.536 0.961 -5.769 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.464 1.742 -7.764 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.982 2.128 -6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.561 -0.271 -6.516 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.067 -0.682 -7.312 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.909 -1.972 -8.835 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.976 -1.232 -10.140 1.00 0.00 H new ATOM 197 N MET A 13 -3.748 1.389 -4.044 1.00 0.00 N ATOM 198 CA MET A 13 -2.953 0.823 -2.961 1.00 0.00 C ATOM 199 C MET A 13 -3.805 0.647 -1.706 1.00 0.00 C ATOM 200 O MET A 13 -3.696 -0.363 -1.008 1.00 0.00 O ATOM 201 CB MET A 13 -1.741 1.710 -2.665 1.00 0.00 C ATOM 202 CG MET A 13 -0.838 1.161 -1.570 1.00 0.00 C ATOM 203 SD MET A 13 0.664 2.135 -1.344 1.00 0.00 S ATOM 204 CE MET A 13 1.415 1.978 -2.958 1.00 0.00 C ATOM 0 H MET A 13 -3.419 2.293 -4.383 1.00 0.00 H new ATOM 0 HA MET A 13 -2.595 -0.158 -3.274 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.158 1.831 -3.578 1.00 0.00 H new ATOM 0 HB3 MET A 13 -2.089 2.701 -2.375 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.391 1.132 -0.631 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.566 0.134 -1.812 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.494 1.869 -2.848 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.011 1.101 -3.464 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.199 2.869 -3.548 1.00 0.00 H new ATOM 214 N ILE A 14 -4.666 1.624 -1.440 1.00 0.00 N ATOM 215 CA ILE A 14 -5.577 1.553 -0.305 1.00 0.00 C ATOM 216 C ILE A 14 -6.549 0.392 -0.480 1.00 0.00 C ATOM 217 O ILE A 14 -6.792 -0.374 0.449 1.00 0.00 O ATOM 218 CB ILE A 14 -6.377 2.866 -0.130 1.00 0.00 C ATOM 219 CG1 ILE A 14 -5.428 4.045 0.105 1.00 0.00 C ATOM 220 CG2 ILE A 14 -7.363 2.740 1.026 1.00 0.00 C ATOM 221 CD1 ILE A 14 -6.127 5.387 0.164 1.00 0.00 C ATOM 0 H ILE A 14 -4.751 2.475 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.971 1.398 0.588 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.939 3.051 -1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.888 3.885 1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.685 4.067 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.917 3.672 1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -8.059 1.926 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.819 2.532 1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.391 6.173 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.644 5.570 -0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.850 5.385 0.980 1.00 0.00 H new ATOM 233 N GLU A 15 -7.077 0.261 -1.689 1.00 0.00 N ATOM 234 CA GLU A 15 -8.037 -0.786 -2.010 1.00 0.00 C ATOM 235 C GLU A 15 -7.425 -2.166 -1.784 1.00 0.00 C ATOM 236 O GLU A 15 -8.067 -3.060 -1.231 1.00 0.00 O ATOM 237 CB GLU A 15 -8.496 -0.639 -3.464 1.00 0.00 C ATOM 238 CG GLU A 15 -9.691 -1.504 -3.830 1.00 0.00 C ATOM 239 CD GLU A 15 -10.116 -1.324 -5.273 1.00 0.00 C ATOM 240 OE1 GLU A 15 -10.532 -0.203 -5.645 1.00 0.00 O ATOM 241 OE2 GLU A 15 -10.060 -2.306 -6.040 1.00 0.00 O ATOM 0 H GLU A 15 -6.853 0.875 -2.472 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.900 -0.685 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.747 0.405 -3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.665 -0.890 -4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.445 -2.551 -3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.527 -1.259 -3.175 1.00 0.00 H new ATOM 248 N VAL A 16 -6.175 -2.329 -2.205 1.00 0.00 N ATOM 249 CA VAL A 16 -5.459 -3.584 -2.005 1.00 0.00 C ATOM 250 C VAL A 16 -5.267 -3.871 -0.516 1.00 0.00 C ATOM 251 O VAL A 16 -5.484 -4.994 -0.063 1.00 0.00 O ATOM 252 CB VAL A 16 -4.081 -3.572 -2.708 1.00 0.00 C ATOM 253 CG1 VAL A 16 -3.328 -4.872 -2.458 1.00 0.00 C ATOM 254 CG2 VAL A 16 -4.245 -3.338 -4.203 1.00 0.00 C ATOM 0 H VAL A 16 -5.637 -1.608 -2.686 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.068 -4.372 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.498 -2.753 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.363 -4.836 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.172 -5.002 -1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.909 -5.709 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.265 -3.333 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.853 -4.135 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.735 -2.379 -4.370 1.00 0.00 H new ATOM 264 N ALA A 17 -4.870 -2.850 0.241 1.00 0.00 N ATOM 265 CA ALA A 17 -4.661 -3.000 1.678 1.00 0.00 C ATOM 266 C ALA A 17 -5.969 -3.345 2.385 1.00 0.00 C ATOM 267 O ALA A 17 -6.025 -4.278 3.188 1.00 0.00 O ATOM 268 CB ALA A 17 -4.056 -1.731 2.262 1.00 0.00 C ATOM 0 H ALA A 17 -4.687 -1.912 -0.117 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.963 -3.822 1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.906 -1.859 3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.097 -1.531 1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.730 -0.893 2.087 1.00 0.00 H new ATOM 274 N GLU A 18 -7.018 -2.590 2.072 1.00 0.00 N ATOM 275 CA GLU A 18 -8.339 -2.834 2.622 1.00 0.00 C ATOM 276 C GLU A 18 -8.816 -4.248 2.316 1.00 0.00 C ATOM 277 O GLU A 18 -9.191 -4.996 3.219 1.00 0.00 O ATOM 278 CB GLU A 18 -9.324 -1.824 2.047 1.00 0.00 C ATOM 279 CG GLU A 18 -9.279 -0.468 2.728 1.00 0.00 C ATOM 280 CD GLU A 18 -9.829 -0.508 4.139 1.00 0.00 C ATOM 281 OE1 GLU A 18 -11.055 -0.346 4.307 1.00 0.00 O ATOM 282 OE2 GLU A 18 -9.042 -0.695 5.087 1.00 0.00 O ATOM 0 H GLU A 18 -6.973 -1.797 1.433 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.283 -2.724 3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.118 -1.694 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.333 -2.228 2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.249 -0.112 2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.850 0.250 2.139 1.00 0.00 H new ATOM 289 N LYS A 19 -8.785 -4.618 1.041 1.00 0.00 N ATOM 290 CA LYS A 19 -9.258 -5.917 0.614 1.00 0.00 C ATOM 291 C LYS A 19 -8.339 -7.027 1.106 1.00 0.00 C ATOM 292 O LYS A 19 -8.760 -8.173 1.244 1.00 0.00 O ATOM 293 CB LYS A 19 -9.374 -5.945 -0.903 1.00 0.00 C ATOM 294 CG LYS A 19 -10.654 -6.587 -1.384 1.00 0.00 C ATOM 295 CD LYS A 19 -11.872 -5.868 -0.825 1.00 0.00 C ATOM 296 CE LYS A 19 -13.173 -6.490 -1.307 1.00 0.00 C ATOM 297 NZ LYS A 19 -13.277 -7.934 -0.954 1.00 0.00 N ATOM 0 H LYS A 19 -8.434 -4.029 0.286 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.242 -6.090 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.319 -4.926 -1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.524 -6.487 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.686 -6.570 -2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.675 -7.634 -1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.840 -5.894 0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.841 -4.819 -1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.014 -5.951 -0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.248 -6.377 -2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.231 -8.279 -1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.575 -8.476 -1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.098 -8.057 0.063 1.00 0.00 H new ATOM 311 N GLY A 20 -7.084 -6.686 1.364 1.00 0.00 N ATOM 312 CA GLY A 20 -6.162 -7.640 1.950 1.00 0.00 C ATOM 313 C GLY A 20 -6.580 -8.020 3.355 1.00 0.00 C ATOM 314 O GLY A 20 -6.577 -9.199 3.719 1.00 0.00 O ATOM 0 H GLY A 20 -6.687 -5.765 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.117 -8.534 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.159 -7.214 1.970 1.00 0.00 H new ATOM 318 N ALA A 21 -6.954 -7.018 4.143 1.00 0.00 N ATOM 319 CA ALA A 21 -7.455 -7.250 5.491 1.00 0.00 C ATOM 320 C ALA A 21 -8.823 -7.923 5.439 1.00 0.00 C ATOM 321 O ALA A 21 -9.124 -8.808 6.243 1.00 0.00 O ATOM 322 CB ALA A 21 -7.526 -5.940 6.263 1.00 0.00 C ATOM 0 H ALA A 21 -6.919 -6.036 3.870 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.766 -7.915 6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.902 -6.130 7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.531 -5.500 6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.196 -5.251 5.749 1.00 0.00 H new ATOM 328 N ASP A 22 -9.639 -7.503 4.475 1.00 0.00 N ATOM 329 CA ASP A 22 -10.950 -8.108 4.239 1.00 0.00 C ATOM 330 C ASP A 22 -10.810 -9.589 3.905 1.00 0.00 C ATOM 331 O ASP A 22 -11.565 -10.426 4.405 1.00 0.00 O ATOM 332 CB ASP A 22 -11.667 -7.377 3.096 1.00 0.00 C ATOM 333 CG ASP A 22 -12.919 -8.096 2.618 1.00 0.00 C ATOM 334 OD1 ASP A 22 -13.955 -8.029 3.310 1.00 0.00 O ATOM 335 OD2 ASP A 22 -12.872 -8.722 1.537 1.00 0.00 O ATOM 0 H ASP A 22 -9.413 -6.739 3.838 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.541 -8.015 5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.936 -6.374 3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.979 -7.263 2.258 1.00 0.00 H new ATOM 340 N ARG A 23 -9.831 -9.901 3.065 1.00 0.00 N ATOM 341 CA ARG A 23 -9.558 -11.277 2.674 1.00 0.00 C ATOM 342 C ARG A 23 -9.153 -12.104 3.885 1.00 0.00 C ATOM 343 O ARG A 23 -9.624 -13.221 4.071 1.00 0.00 O ATOM 344 CB ARG A 23 -8.438 -11.321 1.632 1.00 0.00 C ATOM 345 CG ARG A 23 -8.251 -12.684 0.987 1.00 0.00 C ATOM 346 CD ARG A 23 -9.392 -13.005 0.036 1.00 0.00 C ATOM 347 NE ARG A 23 -9.277 -14.346 -0.532 1.00 0.00 N ATOM 348 CZ ARG A 23 -8.976 -14.595 -1.810 1.00 0.00 C ATOM 349 NH1 ARG A 23 -8.650 -13.601 -2.630 1.00 0.00 N ATOM 350 NH2 ARG A 23 -8.971 -15.840 -2.264 1.00 0.00 N ATOM 0 H ARG A 23 -9.209 -9.214 2.639 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.468 -11.695 2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.650 -10.588 0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.503 -11.022 2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.306 -12.706 0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.193 -13.450 1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.340 -12.917 0.566 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.408 -12.271 -0.770 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.436 -15.142 0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.628 -12.641 -2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.421 -13.798 -3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.197 -16.612 -1.637 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.741 -16.026 -3.240 1.00 0.00 H new ATOM 364 N TYR A 24 -8.280 -11.536 4.708 1.00 0.00 N ATOM 365 CA TYR A 24 -7.793 -12.214 5.905 1.00 0.00 C ATOM 366 C TYR A 24 -8.923 -12.421 6.911 1.00 0.00 C ATOM 367 O TYR A 24 -8.965 -13.435 7.613 1.00 0.00 O ATOM 368 CB TYR A 24 -6.650 -11.409 6.534 1.00 0.00 C ATOM 369 CG TYR A 24 -6.031 -12.052 7.757 1.00 0.00 C ATOM 370 CD1 TYR A 24 -5.262 -13.205 7.649 1.00 0.00 C ATOM 371 CD2 TYR A 24 -6.214 -11.502 9.019 1.00 0.00 C ATOM 372 CE1 TYR A 24 -4.696 -13.791 8.766 1.00 0.00 C ATOM 373 CE2 TYR A 24 -5.650 -12.082 10.139 1.00 0.00 C ATOM 374 CZ TYR A 24 -4.892 -13.225 10.008 1.00 0.00 C ATOM 375 OH TYR A 24 -4.335 -13.805 11.125 1.00 0.00 O ATOM 0 H TYR A 24 -7.893 -10.603 4.568 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.416 -13.196 5.619 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.873 -11.259 5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.024 -10.422 6.807 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.104 -13.650 6.678 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.807 -10.606 9.127 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.103 -14.688 8.666 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.803 -11.641 11.113 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.504 -14.262 10.877 1.00 0.00 H new ATOM 385 N GLN A 25 -9.841 -11.463 6.968 1.00 0.00 N ATOM 386 CA GLN A 25 -10.977 -11.549 7.880 1.00 0.00 C ATOM 387 C GLN A 25 -11.940 -12.636 7.418 1.00 0.00 C ATOM 388 O GLN A 25 -12.558 -13.324 8.230 1.00 0.00 O ATOM 389 CB GLN A 25 -11.702 -10.203 7.966 1.00 0.00 C ATOM 390 CG GLN A 25 -12.774 -10.154 9.048 1.00 0.00 C ATOM 391 CD GLN A 25 -13.432 -8.791 9.169 1.00 0.00 C ATOM 392 OE1 GLN A 25 -12.818 -7.761 8.881 1.00 0.00 O ATOM 393 NE2 GLN A 25 -14.679 -8.771 9.614 1.00 0.00 N ATOM 0 H GLN A 25 -9.822 -10.619 6.395 1.00 0.00 H new ATOM 0 HA GLN A 25 -10.605 -11.805 8.872 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.970 -9.418 8.156 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.161 -9.985 7.002 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.537 -10.902 8.830 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.328 -10.423 10.006 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.153 -9.645 9.842 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -15.165 -7.882 9.729 1.00 0.00 H new ATOM 635 N LYS A 41 3.712 -14.015 -7.074 1.00 0.00 N ATOM 636 CA LYS A 41 4.525 -13.745 -8.255 1.00 0.00 C ATOM 637 C LYS A 41 4.028 -12.488 -8.977 1.00 0.00 C ATOM 638 O LYS A 41 4.724 -11.474 -8.978 1.00 0.00 O ATOM 639 CB LYS A 41 4.565 -14.943 -9.216 1.00 0.00 C ATOM 640 CG LYS A 41 5.596 -16.003 -8.863 1.00 0.00 C ATOM 641 CD LYS A 41 7.008 -15.431 -8.864 1.00 0.00 C ATOM 642 CE LYS A 41 8.052 -16.526 -8.723 1.00 0.00 C ATOM 643 NZ LYS A 41 8.132 -17.378 -9.939 1.00 0.00 N ATOM 0 HA LYS A 41 5.545 -13.573 -7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.579 -15.407 -9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.768 -14.578 -10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.371 -16.418 -7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.534 -16.824 -9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.178 -14.881 -9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.114 -14.718 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.026 -16.076 -8.531 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.812 -17.147 -7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.999 -17.951 -9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.303 -18.005 -9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.150 -16.774 -10.785 1.00 0.00 H new ATOM 657 N PRO A 42 2.805 -12.502 -9.565 1.00 0.00 N ATOM 658 CA PRO A 42 2.306 -11.355 -10.336 1.00 0.00 C ATOM 659 C PRO A 42 2.031 -10.146 -9.451 1.00 0.00 C ATOM 660 O PRO A 42 2.331 -9.010 -9.820 1.00 0.00 O ATOM 661 CB PRO A 42 1.006 -11.871 -10.960 1.00 0.00 C ATOM 662 CG PRO A 42 0.557 -12.964 -10.057 1.00 0.00 C ATOM 663 CD PRO A 42 1.810 -13.599 -9.522 1.00 0.00 C ATOM 0 HA PRO A 42 3.033 -11.013 -11.072 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.258 -11.081 -11.026 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.172 -12.238 -11.973 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.059 -12.573 -9.247 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.050 -13.691 -10.596 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.668 -13.972 -8.508 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.122 -14.447 -10.132 1.00 0.00 H new ATOM 671 N ALA A 43 1.471 -10.405 -8.275 1.00 0.00 N ATOM 672 CA ALA A 43 1.181 -9.352 -7.317 1.00 0.00 C ATOM 673 C ALA A 43 2.468 -8.677 -6.869 1.00 0.00 C ATOM 674 O ALA A 43 2.542 -7.457 -6.781 1.00 0.00 O ATOM 675 CB ALA A 43 0.432 -9.916 -6.119 1.00 0.00 C ATOM 0 H ALA A 43 1.209 -11.340 -7.964 1.00 0.00 H new ATOM 0 HA ALA A 43 0.548 -8.607 -7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.222 -9.114 -5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.506 -10.360 -6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.042 -10.678 -5.634 1.00 0.00 H new ATOM 681 N VAL A 44 3.493 -9.480 -6.617 1.00 0.00 N ATOM 682 CA VAL A 44 4.773 -8.961 -6.159 1.00 0.00 C ATOM 683 C VAL A 44 5.378 -8.027 -7.204 1.00 0.00 C ATOM 684 O VAL A 44 5.912 -6.972 -6.870 1.00 0.00 O ATOM 685 CB VAL A 44 5.763 -10.103 -5.850 1.00 0.00 C ATOM 686 CG1 VAL A 44 7.040 -9.563 -5.227 1.00 0.00 C ATOM 687 CG2 VAL A 44 5.121 -11.139 -4.940 1.00 0.00 C ATOM 0 H VAL A 44 3.462 -10.494 -6.722 1.00 0.00 H new ATOM 0 HA VAL A 44 4.591 -8.403 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 44 6.024 -10.586 -6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.721 -10.389 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.515 -8.866 -5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.801 -9.047 -4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.836 -11.936 -4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.825 -10.667 -4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.242 -11.558 -5.429 1.00 0.00 H new ATOM 697 N GLU A 45 5.277 -8.417 -8.472 1.00 0.00 N ATOM 698 CA GLU A 45 5.764 -7.596 -9.568 1.00 0.00 C ATOM 699 C GLU A 45 4.977 -6.291 -9.656 1.00 0.00 C ATOM 700 O GLU A 45 5.555 -5.205 -9.716 1.00 0.00 O ATOM 701 CB GLU A 45 5.642 -8.360 -10.887 1.00 0.00 C ATOM 702 CG GLU A 45 6.414 -9.668 -10.915 1.00 0.00 C ATOM 703 CD GLU A 45 6.232 -10.420 -12.219 1.00 0.00 C ATOM 704 OE1 GLU A 45 5.247 -11.178 -12.341 1.00 0.00 O ATOM 705 OE2 GLU A 45 7.070 -10.253 -13.130 1.00 0.00 O ATOM 0 H GLU A 45 4.860 -9.301 -8.763 1.00 0.00 H new ATOM 0 HA GLU A 45 6.812 -7.360 -9.381 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.589 -8.567 -11.080 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.995 -7.723 -11.698 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.474 -9.464 -10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.087 -10.297 -10.087 1.00 0.00 H new ATOM 712 N GLU A 46 3.653 -6.419 -9.652 1.00 0.00 N ATOM 713 CA GLU A 46 2.755 -5.276 -9.785 1.00 0.00 C ATOM 714 C GLU A 46 2.944 -4.298 -8.644 1.00 0.00 C ATOM 715 O GLU A 46 3.286 -3.133 -8.846 1.00 0.00 O ATOM 716 CB GLU A 46 1.309 -5.752 -9.759 1.00 0.00 C ATOM 717 CG GLU A 46 0.309 -4.740 -10.295 1.00 0.00 C ATOM 718 CD GLU A 46 0.579 -4.366 -11.736 1.00 0.00 C ATOM 719 OE1 GLU A 46 0.219 -5.152 -12.635 1.00 0.00 O ATOM 720 OE2 GLU A 46 1.161 -3.291 -11.975 1.00 0.00 O ATOM 0 H GLU A 46 3.174 -7.314 -9.557 1.00 0.00 H new ATOM 0 HA GLU A 46 2.985 -4.783 -10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.230 -6.669 -10.343 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.040 -6.004 -8.733 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.698 -5.150 -10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.340 -3.842 -9.678 1.00 0.00 H new ATOM 727 N ASN A 47 2.717 -4.800 -7.444 1.00 0.00 N ATOM 728 CA ASN A 47 2.733 -3.981 -6.238 1.00 0.00 C ATOM 729 C ASN A 47 4.102 -3.354 -5.984 1.00 0.00 C ATOM 730 O ASN A 47 4.184 -2.291 -5.372 1.00 0.00 O ATOM 731 CB ASN A 47 2.275 -4.791 -5.019 1.00 0.00 C ATOM 732 CG ASN A 47 0.799 -5.160 -5.085 1.00 0.00 C ATOM 733 OD1 ASN A 47 0.429 -6.210 -5.602 1.00 0.00 O ATOM 734 ND2 ASN A 47 -0.057 -4.296 -4.562 1.00 0.00 N ATOM 0 H ASN A 47 2.516 -5.786 -7.274 1.00 0.00 H new ATOM 0 HA ASN A 47 2.028 -3.165 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.871 -5.701 -4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.462 -4.215 -4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.057 -4.494 -4.581 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.284 -3.432 -4.140 1.00 0.00 H new ATOM 741 N ASP A 48 5.173 -3.988 -6.460 1.00 0.00 N ATOM 742 CA ASP A 48 6.509 -3.407 -6.317 1.00 0.00 C ATOM 743 C ASP A 48 6.610 -2.137 -7.146 1.00 0.00 C ATOM 744 O ASP A 48 6.918 -1.070 -6.619 1.00 0.00 O ATOM 745 CB ASP A 48 7.605 -4.388 -6.747 1.00 0.00 C ATOM 746 CG ASP A 48 8.995 -3.918 -6.338 1.00 0.00 C ATOM 747 OD1 ASP A 48 9.486 -2.906 -6.885 1.00 0.00 O ATOM 748 OD2 ASP A 48 9.613 -4.567 -5.465 1.00 0.00 O ATOM 0 H ASP A 48 5.145 -4.888 -6.940 1.00 0.00 H new ATOM 0 HA ASP A 48 6.659 -3.177 -5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.409 -5.365 -6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.571 -4.516 -7.829 1.00 0.00 H new ATOM 753 N GLU A 49 6.319 -2.256 -8.442 1.00 0.00 N ATOM 754 CA GLU A 49 6.340 -1.107 -9.345 1.00 0.00 C ATOM 755 C GLU A 49 5.296 -0.085 -8.918 1.00 0.00 C ATOM 756 O GLU A 49 5.490 1.122 -9.062 1.00 0.00 O ATOM 757 CB GLU A 49 6.057 -1.544 -10.784 1.00 0.00 C ATOM 758 CG GLU A 49 7.060 -2.536 -11.344 1.00 0.00 C ATOM 759 CD GLU A 49 6.734 -2.943 -12.765 1.00 0.00 C ATOM 760 OE1 GLU A 49 7.094 -2.195 -13.698 1.00 0.00 O ATOM 761 OE2 GLU A 49 6.118 -4.011 -12.960 1.00 0.00 O ATOM 0 H GLU A 49 6.066 -3.137 -8.889 1.00 0.00 H new ATOM 0 HA GLU A 49 7.332 -0.658 -9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.062 -1.987 -10.828 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.041 -0.661 -11.423 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.057 -2.097 -11.314 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.083 -3.423 -10.711 1.00 0.00 H new ATOM 768 N LEU A 50 4.188 -0.591 -8.393 1.00 0.00 N ATOM 769 CA LEU A 50 3.093 0.243 -7.920 1.00 0.00 C ATOM 770 C LEU A 50 3.567 1.139 -6.788 1.00 0.00 C ATOM 771 O LEU A 50 3.398 2.356 -6.831 1.00 0.00 O ATOM 772 CB LEU A 50 1.945 -0.640 -7.427 1.00 0.00 C ATOM 773 CG LEU A 50 0.566 0.014 -7.415 1.00 0.00 C ATOM 774 CD1 LEU A 50 0.051 0.157 -8.837 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.404 -0.800 -6.573 1.00 0.00 C ATOM 0 H LEU A 50 4.024 -1.592 -8.283 1.00 0.00 H new ATOM 0 HA LEU A 50 2.744 0.865 -8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.900 -1.530 -8.055 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.177 -0.975 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 50 0.650 1.006 -6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.934 0.624 -8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.738 0.777 -9.412 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.022 -0.828 -9.298 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.382 -0.318 -6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.493 -1.804 -6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.034 -0.862 -5.550 1.00 0.00 H new ATOM 787 N ALA A 51 4.176 0.523 -5.785 1.00 0.00 N ATOM 788 CA ALA A 51 4.678 1.253 -4.636 1.00 0.00 C ATOM 789 C ALA A 51 5.917 2.057 -5.001 1.00 0.00 C ATOM 790 O ALA A 51 6.216 3.061 -4.370 1.00 0.00 O ATOM 791 CB ALA A 51 4.979 0.298 -3.495 1.00 0.00 C ATOM 0 H ALA A 51 4.333 -0.484 -5.746 1.00 0.00 H new ATOM 0 HA ALA A 51 3.907 1.952 -4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.355 0.860 -2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.068 -0.228 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.731 -0.424 -3.814 1.00 0.00 H new ATOM 797 N ALA A 52 6.633 1.608 -6.025 1.00 0.00 N ATOM 798 CA ALA A 52 7.797 2.329 -6.526 1.00 0.00 C ATOM 799 C ALA A 52 7.377 3.652 -7.154 1.00 0.00 C ATOM 800 O ALA A 52 7.861 4.713 -6.766 1.00 0.00 O ATOM 801 CB ALA A 52 8.554 1.475 -7.535 1.00 0.00 C ATOM 0 H ALA A 52 6.427 0.744 -6.527 1.00 0.00 H new ATOM 0 HA ALA A 52 8.459 2.543 -5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.420 2.026 -7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.886 0.554 -7.056 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.898 1.233 -8.372 1.00 0.00 H new ATOM 807 N ARG A 53 6.462 3.579 -8.113 1.00 0.00 N ATOM 808 CA ARG A 53 5.922 4.757 -8.770 1.00 0.00 C ATOM 809 C ARG A 53 5.250 5.668 -7.745 1.00 0.00 C ATOM 810 O ARG A 53 5.346 6.893 -7.827 1.00 0.00 O ATOM 811 CB ARG A 53 4.919 4.294 -9.827 1.00 0.00 C ATOM 812 CG ARG A 53 4.688 5.259 -10.976 1.00 0.00 C ATOM 813 CD ARG A 53 3.736 6.393 -10.610 1.00 0.00 C ATOM 814 NE ARG A 53 3.252 7.104 -11.797 1.00 0.00 N ATOM 815 CZ ARG A 53 2.507 8.211 -11.767 1.00 0.00 C ATOM 816 NH1 ARG A 53 2.188 8.779 -10.610 1.00 0.00 N ATOM 817 NH2 ARG A 53 2.085 8.753 -12.902 1.00 0.00 N ATOM 0 H ARG A 53 6.075 2.700 -8.455 1.00 0.00 H new ATOM 0 HA ARG A 53 6.720 5.327 -9.246 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.262 3.344 -10.237 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.964 4.104 -9.338 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.644 5.679 -11.290 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.285 4.713 -11.829 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.888 5.991 -10.057 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.244 7.095 -9.948 1.00 0.00 H new ATOM 0 HE ARG A 53 3.502 6.726 -12.711 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.513 8.369 -9.734 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.618 9.625 -10.597 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.330 8.324 -13.794 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.515 9.599 -12.882 1.00 0.00 H new ATOM 831 N TRP A 54 4.572 5.055 -6.783 1.00 0.00 N ATOM 832 CA TRP A 54 3.935 5.794 -5.700 1.00 0.00 C ATOM 833 C TRP A 54 4.981 6.517 -4.855 1.00 0.00 C ATOM 834 O TRP A 54 4.892 7.726 -4.644 1.00 0.00 O ATOM 835 CB TRP A 54 3.112 4.845 -4.827 1.00 0.00 C ATOM 836 CG TRP A 54 2.333 5.536 -3.755 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.161 6.215 -3.912 1.00 0.00 C ATOM 838 CD2 TRP A 54 2.665 5.617 -2.365 1.00 0.00 C ATOM 839 NE1 TRP A 54 0.742 6.717 -2.706 1.00 0.00 N ATOM 840 CE2 TRP A 54 1.648 6.359 -1.738 1.00 0.00 C ATOM 841 CE3 TRP A 54 3.720 5.127 -1.590 1.00 0.00 C ATOM 842 CZ2 TRP A 54 1.661 6.630 -0.373 1.00 0.00 C ATOM 843 CZ3 TRP A 54 3.730 5.397 -0.234 1.00 0.00 C ATOM 844 CH2 TRP A 54 2.704 6.140 0.363 1.00 0.00 C ATOM 0 H TRP A 54 4.449 4.044 -6.731 1.00 0.00 H new ATOM 0 HA TRP A 54 3.269 6.539 -6.135 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.423 4.287 -5.462 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.781 4.118 -4.366 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.639 6.339 -4.849 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.104 7.266 -2.553 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.512 4.549 -2.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.874 7.208 0.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.542 5.029 0.375 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.737 6.330 1.426 1.00 0.00 H new ATOM 855 N ALA A 55 5.978 5.770 -4.395 1.00 0.00 N ATOM 856 CA ALA A 55 7.039 6.330 -3.571 1.00 0.00 C ATOM 857 C ALA A 55 7.795 7.422 -4.313 1.00 0.00 C ATOM 858 O ALA A 55 8.070 8.472 -3.750 1.00 0.00 O ATOM 859 CB ALA A 55 7.999 5.243 -3.120 1.00 0.00 C ATOM 0 H ALA A 55 6.072 4.771 -4.580 1.00 0.00 H new ATOM 0 HA ALA A 55 6.574 6.775 -2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.784 5.683 -2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.457 4.498 -2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.446 4.767 -3.993 1.00 0.00 H new ATOM 865 N GLU A 56 8.115 7.176 -5.579 1.00 0.00 N ATOM 866 CA GLU A 56 8.821 8.140 -6.392 1.00 0.00 C ATOM 867 C GLU A 56 8.044 9.450 -6.482 1.00 0.00 C ATOM 868 O GLU A 56 8.630 10.532 -6.430 1.00 0.00 O ATOM 869 CB GLU A 56 9.061 7.550 -7.779 1.00 0.00 C ATOM 870 CG GLU A 56 10.209 6.552 -7.822 1.00 0.00 C ATOM 871 CD GLU A 56 10.551 6.116 -9.232 1.00 0.00 C ATOM 872 OE1 GLU A 56 11.145 6.924 -9.976 1.00 0.00 O ATOM 873 OE2 GLU A 56 10.244 4.958 -9.598 1.00 0.00 O ATOM 0 H GLU A 56 7.891 6.306 -6.061 1.00 0.00 H new ATOM 0 HA GLU A 56 9.782 8.363 -5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.149 7.059 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.267 8.360 -8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.090 6.997 -7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.946 5.676 -7.229 1.00 0.00 H new ATOM 880 N GLY A 57 6.726 9.346 -6.592 1.00 0.00 N ATOM 881 CA GLY A 57 5.895 10.528 -6.656 1.00 0.00 C ATOM 882 C GLY A 57 5.780 11.231 -5.318 1.00 0.00 C ATOM 883 O GLY A 57 5.952 12.447 -5.229 1.00 0.00 O ATOM 0 H GLY A 57 6.219 8.462 -6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.308 11.219 -7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.900 10.250 -7.003 1.00 0.00 H new ATOM 887 N ALA A 58 5.491 10.460 -4.280 1.00 0.00 N ATOM 888 CA ALA A 58 5.318 11.006 -2.939 1.00 0.00 C ATOM 889 C ALA A 58 6.618 11.612 -2.419 1.00 0.00 C ATOM 890 O ALA A 58 6.612 12.679 -1.808 1.00 0.00 O ATOM 891 CB ALA A 58 4.810 9.933 -1.988 1.00 0.00 C ATOM 0 H ALA A 58 5.371 9.449 -4.340 1.00 0.00 H new ATOM 0 HA ALA A 58 4.575 11.802 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.687 10.358 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.851 9.557 -2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.528 9.114 -1.946 1.00 0.00 H new ATOM 897 N LEU A 59 7.727 10.933 -2.679 1.00 0.00 N ATOM 898 CA LEU A 59 9.036 11.411 -2.286 1.00 0.00 C ATOM 899 C LEU A 59 9.384 12.701 -3.009 1.00 0.00 C ATOM 900 O LEU A 59 9.988 13.596 -2.431 1.00 0.00 O ATOM 901 CB LEU A 59 10.086 10.346 -2.585 1.00 0.00 C ATOM 902 CG LEU A 59 10.132 9.174 -1.602 1.00 0.00 C ATOM 903 CD1 LEU A 59 11.189 8.168 -2.027 1.00 0.00 C ATOM 904 CD2 LEU A 59 10.409 9.668 -0.190 1.00 0.00 C ATOM 0 H LEU A 59 7.740 10.038 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 59 9.021 11.614 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.905 9.952 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.067 10.822 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 59 9.159 8.682 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.210 7.340 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.951 7.789 -3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.165 8.653 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.438 8.819 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.368 10.185 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.620 10.354 0.117 1.00 0.00 H new ATOM 916 N GLU A 60 8.990 12.791 -4.274 1.00 0.00 N ATOM 917 CA GLU A 60 9.239 13.983 -5.072 1.00 0.00 C ATOM 918 C GLU A 60 8.518 15.183 -4.457 1.00 0.00 C ATOM 919 O GLU A 60 9.059 16.286 -4.398 1.00 0.00 O ATOM 920 CB GLU A 60 8.756 13.762 -6.508 1.00 0.00 C ATOM 921 CG GLU A 60 9.476 14.617 -7.536 1.00 0.00 C ATOM 922 CD GLU A 60 10.935 14.232 -7.684 1.00 0.00 C ATOM 923 OE1 GLU A 60 11.220 13.033 -7.897 1.00 0.00 O ATOM 924 OE2 GLU A 60 11.807 15.121 -7.582 1.00 0.00 O ATOM 0 H GLU A 60 8.495 12.049 -4.769 1.00 0.00 H new ATOM 0 HA GLU A 60 10.311 14.182 -5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.887 12.711 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.688 13.972 -6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.977 14.519 -8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.407 15.665 -7.246 1.00 0.00 H new ATOM 931 N LEU A 61 7.300 14.944 -3.983 1.00 0.00 N ATOM 932 CA LEU A 61 6.489 15.988 -3.365 1.00 0.00 C ATOM 933 C LEU A 61 7.166 16.542 -2.112 1.00 0.00 C ATOM 934 O LEU A 61 7.297 17.755 -1.952 1.00 0.00 O ATOM 935 CB LEU A 61 5.103 15.437 -3.012 1.00 0.00 C ATOM 936 CG LEU A 61 4.155 16.431 -2.333 1.00 0.00 C ATOM 937 CD1 LEU A 61 3.828 17.590 -3.264 1.00 0.00 C ATOM 938 CD2 LEU A 61 2.883 15.729 -1.884 1.00 0.00 C ATOM 0 H LEU A 61 6.850 14.029 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 61 6.381 16.802 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.630 15.076 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.229 14.575 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 61 4.656 16.835 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.154 18.282 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.747 18.110 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.349 17.208 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.220 16.449 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.382 15.296 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.134 14.939 -1.177 1.00 0.00 H new ATOM 950 N ILE A 62 7.613 15.649 -1.234 1.00 0.00 N ATOM 951 CA ILE A 62 8.232 16.057 0.027 1.00 0.00 C ATOM 952 C ILE A 62 9.678 16.505 -0.189 1.00 0.00 C ATOM 953 O ILE A 62 10.317 17.058 0.705 1.00 0.00 O ATOM 954 CB ILE A 62 8.190 14.919 1.069 1.00 0.00 C ATOM 955 CG1 ILE A 62 9.051 13.737 0.612 1.00 0.00 C ATOM 956 CG2 ILE A 62 6.750 14.469 1.299 1.00 0.00 C ATOM 957 CD1 ILE A 62 9.155 12.627 1.633 1.00 0.00 C ATOM 0 H ILE A 62 7.559 14.640 -1.370 1.00 0.00 H new ATOM 0 HA ILE A 62 7.655 16.899 0.409 1.00 0.00 H new ATOM 0 HB ILE A 62 8.595 15.295 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.635 13.332 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.053 14.098 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.733 13.666 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.160 15.310 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.327 14.110 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.780 11.826 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.600 13.016 2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.160 12.238 1.850 1.00 0.00 H new ATOM 969 N LYS A 63 10.185 16.235 -1.376 1.00 0.00 N ATOM 970 CA LYS A 63 11.515 16.672 -1.777 1.00 0.00 C ATOM 971 C LYS A 63 11.484 18.123 -2.251 1.00 0.00 C ATOM 972 O LYS A 63 12.388 18.906 -1.962 1.00 0.00 O ATOM 973 CB LYS A 63 12.020 15.745 -2.886 1.00 0.00 C ATOM 974 CG LYS A 63 13.213 16.257 -3.671 1.00 0.00 C ATOM 975 CD LYS A 63 13.496 15.333 -4.840 1.00 0.00 C ATOM 976 CE LYS A 63 14.463 15.940 -5.838 1.00 0.00 C ATOM 977 NZ LYS A 63 14.517 15.133 -7.083 1.00 0.00 N ATOM 0 H LYS A 63 9.689 15.706 -2.093 1.00 0.00 H new ATOM 0 HA LYS A 63 12.193 16.622 -0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.284 14.785 -2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.202 15.560 -3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.015 17.266 -4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.087 16.316 -3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.906 14.395 -4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.560 15.094 -5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.156 16.959 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.457 16.001 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.106 15.621 -7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.928 14.201 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.555 15.011 -7.460 1.00 0.00 H new ATOM 991 N VAL A 64 10.434 18.473 -2.977 1.00 0.00 N ATOM 992 CA VAL A 64 10.295 19.816 -3.516 1.00 0.00 C ATOM 993 C VAL A 64 9.603 20.735 -2.512 1.00 0.00 C ATOM 994 O VAL A 64 10.049 21.858 -2.269 1.00 0.00 O ATOM 995 CB VAL A 64 9.493 19.798 -4.836 1.00 0.00 C ATOM 996 CG1 VAL A 64 9.295 21.204 -5.385 1.00 0.00 C ATOM 997 CG2 VAL A 64 10.177 18.907 -5.864 1.00 0.00 C ATOM 0 H VAL A 64 9.664 17.844 -3.207 1.00 0.00 H new ATOM 0 HA VAL A 64 11.297 20.197 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 64 8.507 19.386 -4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.727 21.155 -6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.750 21.805 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.266 21.660 -5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.598 18.906 -6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.179 19.286 -6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.244 17.890 -5.477 1.00 0.00 H new ATOM 1007 N ARG A 65 8.520 20.247 -1.923 1.00 0.00 N ATOM 1008 CA ARG A 65 7.736 21.035 -0.979 1.00 0.00 C ATOM 1009 C ARG A 65 7.803 20.415 0.412 1.00 0.00 C ATOM 1010 O ARG A 65 8.647 19.560 0.674 1.00 0.00 O ATOM 1011 CB ARG A 65 6.283 21.142 -1.461 1.00 0.00 C ATOM 1012 CG ARG A 65 6.153 21.868 -2.792 1.00 0.00 C ATOM 1013 CD ARG A 65 4.759 21.756 -3.382 1.00 0.00 C ATOM 1014 NE ARG A 65 3.737 22.330 -2.512 1.00 0.00 N ATOM 1015 CZ ARG A 65 3.350 23.606 -2.553 1.00 0.00 C ATOM 1016 NH1 ARG A 65 3.970 24.477 -3.345 1.00 0.00 N ATOM 1017 NH2 ARG A 65 2.344 24.009 -1.794 1.00 0.00 N ATOM 0 H ARG A 65 8.162 19.305 -2.083 1.00 0.00 H new ATOM 0 HA ARG A 65 8.154 22.040 -0.923 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.862 20.141 -1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.693 21.665 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.402 22.920 -2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.876 21.459 -3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.735 22.261 -4.348 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.528 20.706 -3.565 1.00 0.00 H new ATOM 0 HE ARG A 65 3.291 21.717 -1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.749 24.171 -3.928 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.666 25.450 -3.369 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.869 23.345 -1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.043 24.983 -1.821 1.00 0.00 H new ATOM 1031 N ARG A 66 6.927 20.849 1.311 1.00 0.00 N ATOM 1032 CA ARG A 66 6.935 20.335 2.673 1.00 0.00 C ATOM 1033 C ARG A 66 5.798 19.348 2.902 1.00 0.00 C ATOM 1034 O ARG A 66 4.649 19.603 2.526 1.00 0.00 O ATOM 1035 CB ARG A 66 6.835 21.471 3.695 1.00 0.00 C ATOM 1036 CG ARG A 66 8.075 21.618 4.566 1.00 0.00 C ATOM 1037 CD ARG A 66 9.254 22.158 3.772 1.00 0.00 C ATOM 1038 NE ARG A 66 9.000 23.519 3.309 1.00 0.00 N ATOM 1039 CZ ARG A 66 9.868 24.253 2.618 1.00 0.00 C ATOM 1040 NH1 ARG A 66 11.047 23.757 2.273 1.00 0.00 N ATOM 1041 NH2 ARG A 66 9.539 25.488 2.267 1.00 0.00 N ATOM 0 H ARG A 66 6.209 21.549 1.123 1.00 0.00 H new ATOM 0 HA ARG A 66 7.884 19.816 2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.658 22.408 3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.970 21.298 4.335 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.859 22.288 5.398 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.336 20.651 4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.150 22.143 4.392 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.447 21.510 2.917 1.00 0.00 H new ATOM 0 HE ARG A 66 8.096 23.935 3.530 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.296 22.804 2.537 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.705 24.328 1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.628 25.867 2.527 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.197 26.060 1.737 1.00 0.00 H new ATOM 1055 N PRO A 67 6.117 18.195 3.504 1.00 0.00 N ATOM 1056 CA PRO A 67 5.111 17.231 3.933 1.00 0.00 C ATOM 1057 C PRO A 67 4.347 17.742 5.148 1.00 0.00 C ATOM 1058 O PRO A 67 4.943 18.250 6.104 1.00 0.00 O ATOM 1059 CB PRO A 67 5.927 15.991 4.285 1.00 0.00 C ATOM 1060 CG PRO A 67 7.280 16.503 4.638 1.00 0.00 C ATOM 1061 CD PRO A 67 7.490 17.734 3.799 1.00 0.00 C ATOM 0 HA PRO A 67 4.358 17.040 3.169 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.481 15.449 5.119 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.975 15.299 3.444 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.343 16.740 5.700 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.046 15.755 4.432 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.060 18.492 4.336 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.041 17.507 2.886 1.00 0.00 H new ATOM 1069 N LYS A 68 3.039 17.612 5.110 1.00 0.00 N ATOM 1070 CA LYS A 68 2.189 18.173 6.139 1.00 0.00 C ATOM 1071 C LYS A 68 1.758 17.094 7.127 1.00 0.00 C ATOM 1072 O LYS A 68 1.615 17.354 8.321 1.00 0.00 O ATOM 1073 CB LYS A 68 0.969 18.822 5.484 1.00 0.00 C ATOM 1074 CG LYS A 68 1.334 19.719 4.310 1.00 0.00 C ATOM 1075 CD LYS A 68 0.125 20.045 3.448 1.00 0.00 C ATOM 1076 CE LYS A 68 0.550 20.607 2.099 1.00 0.00 C ATOM 1077 NZ LYS A 68 1.461 19.677 1.371 1.00 0.00 N ATOM 0 H LYS A 68 2.537 17.119 4.372 1.00 0.00 H new ATOM 0 HA LYS A 68 2.745 18.929 6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.289 18.042 5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.432 19.408 6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.774 20.644 4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.093 19.228 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.472 19.146 3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.509 20.767 3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.334 20.799 1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.050 21.564 2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.382 19.844 0.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.442 19.843 1.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.195 18.694 1.582 1.00 0.00 H new ATOM 1091 N TYR A 69 1.555 15.883 6.626 1.00 0.00 N ATOM 1092 CA TYR A 69 1.128 14.774 7.474 1.00 0.00 C ATOM 1093 C TYR A 69 2.198 13.685 7.542 1.00 0.00 C ATOM 1094 O TYR A 69 2.525 13.182 8.618 1.00 0.00 O ATOM 1095 CB TYR A 69 -0.168 14.161 6.944 1.00 0.00 C ATOM 1096 CG TYR A 69 -1.284 15.147 6.703 1.00 0.00 C ATOM 1097 CD1 TYR A 69 -2.129 15.540 7.732 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -1.504 15.671 5.438 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -3.161 16.431 7.505 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -2.532 16.557 5.203 1.00 0.00 C ATOM 1101 CZ TYR A 69 -3.357 16.934 6.238 1.00 0.00 C ATOM 1102 OH TYR A 69 -4.391 17.811 5.997 1.00 0.00 O ATOM 0 H TYR A 69 1.678 15.642 5.642 1.00 0.00 H new ATOM 0 HA TYR A 69 0.964 15.175 8.474 1.00 0.00 H new ATOM 0 HB2 TYR A 69 0.048 13.643 6.010 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.514 13.409 7.653 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.978 15.143 8.725 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.858 15.379 4.623 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.809 16.731 8.315 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.690 16.954 4.211 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.996 17.427 5.329 1.00 0.00 H new ATOM 1112 N VAL A 70 2.740 13.330 6.385 1.00 0.00 N ATOM 1113 CA VAL A 70 3.653 12.194 6.280 1.00 0.00 C ATOM 1114 C VAL A 70 5.116 12.645 6.405 1.00 0.00 C ATOM 1115 O VAL A 70 5.405 13.839 6.358 1.00 0.00 O ATOM 1116 CB VAL A 70 3.427 11.453 4.936 1.00 0.00 C ATOM 1117 CG1 VAL A 70 3.901 12.295 3.759 1.00 0.00 C ATOM 1118 CG2 VAL A 70 4.089 10.083 4.931 1.00 0.00 C ATOM 0 H VAL A 70 2.564 13.812 5.503 1.00 0.00 H new ATOM 0 HA VAL A 70 3.443 11.510 7.102 1.00 0.00 H new ATOM 0 HB VAL A 70 2.354 11.296 4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.730 11.751 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.347 13.234 3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.965 12.504 3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.908 9.595 3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.162 10.197 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.671 9.474 5.733 1.00 0.00 H new ATOM 1128 N HIS A 71 6.026 11.690 6.590 1.00 0.00 N ATOM 1129 CA HIS A 71 7.458 11.988 6.647 1.00 0.00 C ATOM 1130 C HIS A 71 8.198 11.201 5.569 1.00 0.00 C ATOM 1131 O HIS A 71 7.585 10.412 4.848 1.00 0.00 O ATOM 1132 CB HIS A 71 8.038 11.662 8.026 1.00 0.00 C ATOM 1133 CG HIS A 71 7.491 12.500 9.140 1.00 0.00 C ATOM 1134 ND1 HIS A 71 7.469 13.878 9.113 1.00 0.00 N ATOM 1135 CD2 HIS A 71 6.941 12.141 10.321 1.00 0.00 C ATOM 1136 CE1 HIS A 71 6.933 14.329 10.231 1.00 0.00 C ATOM 1137 NE2 HIS A 71 6.606 13.295 10.982 1.00 0.00 N ATOM 0 H HIS A 71 5.798 10.702 6.703 1.00 0.00 H new ATOM 0 HA HIS A 71 7.589 13.055 6.469 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.846 10.612 8.249 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.120 11.787 7.991 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.793 11.133 10.678 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.787 15.368 10.488 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.174 13.346 11.905 1.00 0.00 H new ATOM 1146 N LYS A 72 9.510 11.404 5.471 1.00 0.00 N ATOM 1147 CA LYS A 72 10.318 10.782 4.418 1.00 0.00 C ATOM 1148 C LYS A 72 10.395 9.268 4.584 1.00 0.00 C ATOM 1149 O LYS A 72 10.012 8.512 3.690 1.00 0.00 O ATOM 1150 CB LYS A 72 11.740 11.345 4.432 1.00 0.00 C ATOM 1151 CG LYS A 72 11.826 12.851 4.246 1.00 0.00 C ATOM 1152 CD LYS A 72 13.272 13.323 4.291 1.00 0.00 C ATOM 1153 CE LYS A 72 13.959 12.901 5.583 1.00 0.00 C ATOM 1154 NZ LYS A 72 15.404 13.250 5.593 1.00 0.00 N ATOM 0 H LYS A 72 10.040 11.997 6.110 1.00 0.00 H new ATOM 0 HA LYS A 72 9.831 11.009 3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.212 11.081 5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.316 10.861 3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.378 13.130 3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.252 13.351 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.815 12.915 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.304 14.409 4.199 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.466 13.381 6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.846 11.825 5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.829 12.944 6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.882 12.772 4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.513 14.279 5.492 1.00 0.00 H new ATOM 1168 N GLU A 73 10.886 8.842 5.742 1.00 0.00 N ATOM 1169 CA GLU A 73 11.154 7.432 5.998 1.00 0.00 C ATOM 1170 C GLU A 73 9.884 6.606 5.893 1.00 0.00 C ATOM 1171 O GLU A 73 9.919 5.461 5.448 1.00 0.00 O ATOM 1172 CB GLU A 73 11.778 7.242 7.380 1.00 0.00 C ATOM 1173 CG GLU A 73 12.943 8.181 7.658 1.00 0.00 C ATOM 1174 CD GLU A 73 12.523 9.410 8.432 1.00 0.00 C ATOM 1175 OE1 GLU A 73 11.709 10.202 7.912 1.00 0.00 O ATOM 1176 OE2 GLU A 73 12.983 9.575 9.581 1.00 0.00 O ATOM 0 H GLU A 73 11.108 9.458 6.524 1.00 0.00 H new ATOM 0 HA GLU A 73 11.857 7.088 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.011 7.394 8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.122 6.212 7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.710 7.647 8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.393 8.486 6.713 1.00 0.00 H new ATOM 1183 N GLN A 74 8.765 7.198 6.296 1.00 0.00 N ATOM 1184 CA GLN A 74 7.477 6.528 6.231 1.00 0.00 C ATOM 1185 C GLN A 74 7.189 6.036 4.816 1.00 0.00 C ATOM 1186 O GLN A 74 6.930 4.856 4.609 1.00 0.00 O ATOM 1187 CB GLN A 74 6.363 7.471 6.695 1.00 0.00 C ATOM 1188 CG GLN A 74 6.476 7.915 8.151 1.00 0.00 C ATOM 1189 CD GLN A 74 6.366 6.766 9.144 1.00 0.00 C ATOM 1190 OE1 GLN A 74 6.754 5.633 8.861 1.00 0.00 O ATOM 1191 NE2 GLN A 74 5.829 7.054 10.321 1.00 0.00 N ATOM 0 H GLN A 74 8.727 8.145 6.672 1.00 0.00 H new ATOM 0 HA GLN A 74 7.511 5.664 6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.364 8.355 6.058 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.402 6.976 6.553 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.431 8.420 8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.694 8.644 8.362 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.518 8.005 10.521 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.726 6.325 11.027 1.00 0.00 H new ATOM 1200 N ILE A 75 7.277 6.938 3.849 1.00 0.00 N ATOM 1201 CA ILE A 75 6.955 6.618 2.462 1.00 0.00 C ATOM 1202 C ILE A 75 7.844 5.499 1.926 1.00 0.00 C ATOM 1203 O ILE A 75 7.377 4.609 1.208 1.00 0.00 O ATOM 1204 CB ILE A 75 7.099 7.869 1.567 1.00 0.00 C ATOM 1205 CG1 ILE A 75 6.178 8.986 2.069 1.00 0.00 C ATOM 1206 CG2 ILE A 75 6.790 7.533 0.114 1.00 0.00 C ATOM 1207 CD1 ILE A 75 6.347 10.294 1.327 1.00 0.00 C ATOM 0 H ILE A 75 7.570 7.903 3.999 1.00 0.00 H new ATOM 0 HA ILE A 75 5.920 6.276 2.439 1.00 0.00 H new ATOM 0 HB ILE A 75 8.131 8.216 1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.142 8.659 1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.368 9.153 3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.898 8.429 -0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.482 6.768 -0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.768 7.161 0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.663 11.036 1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.373 10.645 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.127 10.144 0.270 1.00 0.00 H new ATOM 1219 N GLU A 76 9.113 5.523 2.299 1.00 0.00 N ATOM 1220 CA GLU A 76 10.060 4.538 1.801 1.00 0.00 C ATOM 1221 C GLU A 76 9.876 3.202 2.518 1.00 0.00 C ATOM 1222 O GLU A 76 10.042 2.137 1.922 1.00 0.00 O ATOM 1223 CB GLU A 76 11.496 5.047 1.960 1.00 0.00 C ATOM 1224 CG GLU A 76 11.734 6.405 1.304 1.00 0.00 C ATOM 1225 CD GLU A 76 13.204 6.766 1.201 1.00 0.00 C ATOM 1226 OE1 GLU A 76 13.843 6.387 0.195 1.00 0.00 O ATOM 1227 OE2 GLU A 76 13.730 7.432 2.117 1.00 0.00 O ATOM 0 H GLU A 76 9.510 6.209 2.941 1.00 0.00 H new ATOM 0 HA GLU A 76 9.868 4.382 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.733 5.118 3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.182 4.318 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.296 6.402 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.216 7.174 1.877 1.00 0.00 H new ATOM 1234 N ALA A 77 9.511 3.261 3.794 1.00 0.00 N ATOM 1235 CA ALA A 77 9.279 2.055 4.577 1.00 0.00 C ATOM 1236 C ALA A 77 7.956 1.403 4.188 1.00 0.00 C ATOM 1237 O ALA A 77 7.805 0.181 4.277 1.00 0.00 O ATOM 1238 CB ALA A 77 9.300 2.372 6.067 1.00 0.00 C ATOM 0 H ALA A 77 9.370 4.131 4.307 1.00 0.00 H new ATOM 0 HA ALA A 77 10.083 1.351 4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.125 1.459 6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.271 2.787 6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.519 3.097 6.296 1.00 0.00 H new ATOM 1244 N VAL A 78 7.001 2.223 3.754 1.00 0.00 N ATOM 1245 CA VAL A 78 5.695 1.731 3.331 1.00 0.00 C ATOM 1246 C VAL A 78 5.826 0.697 2.221 1.00 0.00 C ATOM 1247 O VAL A 78 5.147 -0.321 2.254 1.00 0.00 O ATOM 1248 CB VAL A 78 4.759 2.877 2.872 1.00 0.00 C ATOM 1249 CG1 VAL A 78 3.564 2.338 2.098 1.00 0.00 C ATOM 1250 CG2 VAL A 78 4.272 3.666 4.073 1.00 0.00 C ATOM 0 H VAL A 78 7.110 3.235 3.687 1.00 0.00 H new ATOM 0 HA VAL A 78 5.247 1.258 4.205 1.00 0.00 H new ATOM 0 HB VAL A 78 5.330 3.530 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.926 3.167 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.914 1.802 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.995 1.659 2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.615 4.469 3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.724 3.005 4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.126 4.092 4.599 1.00 0.00 H new ATOM 1260 N LYS A 79 6.710 0.940 1.256 1.00 0.00 N ATOM 1261 CA LYS A 79 6.891 -0.009 0.159 1.00 0.00 C ATOM 1262 C LYS A 79 7.297 -1.382 0.696 1.00 0.00 C ATOM 1263 O LYS A 79 6.701 -2.399 0.339 1.00 0.00 O ATOM 1264 CB LYS A 79 7.943 0.463 -0.852 1.00 0.00 C ATOM 1265 CG LYS A 79 8.039 -0.485 -2.039 1.00 0.00 C ATOM 1266 CD LYS A 79 9.178 -0.149 -2.987 1.00 0.00 C ATOM 1267 CE LYS A 79 9.177 -1.109 -4.169 1.00 0.00 C ATOM 1268 NZ LYS A 79 10.357 -0.932 -5.057 1.00 0.00 N ATOM 0 H LYS A 79 7.302 1.769 1.210 1.00 0.00 H new ATOM 0 HA LYS A 79 5.932 -0.078 -0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.689 1.463 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.914 0.534 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.169 -1.503 -1.672 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.099 -0.463 -2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.075 0.877 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.130 -0.210 -2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.157 -2.134 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.266 -0.962 -4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.287 -1.587 -5.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.383 0.047 -5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.227 -1.132 -4.523 1.00 0.00 H new ATOM 1282 N ASP A 80 8.294 -1.394 1.571 1.00 0.00 N ATOM 1283 CA ASP A 80 8.820 -2.635 2.135 1.00 0.00 C ATOM 1284 C ASP A 80 7.760 -3.341 2.980 1.00 0.00 C ATOM 1285 O ASP A 80 7.657 -4.571 2.984 1.00 0.00 O ATOM 1286 CB ASP A 80 10.065 -2.333 2.973 1.00 0.00 C ATOM 1287 CG ASP A 80 10.757 -3.583 3.484 1.00 0.00 C ATOM 1288 OD1 ASP A 80 11.422 -4.272 2.682 1.00 0.00 O ATOM 1289 OD2 ASP A 80 10.648 -3.876 4.693 1.00 0.00 O ATOM 0 H ASP A 80 8.759 -0.552 1.909 1.00 0.00 H new ATOM 0 HA ASP A 80 9.095 -3.303 1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.768 -1.755 2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.782 -1.709 3.821 1.00 0.00 H new ATOM 1294 N ASN A 81 6.953 -2.552 3.676 1.00 0.00 N ATOM 1295 CA ASN A 81 5.884 -3.088 4.512 1.00 0.00 C ATOM 1296 C ASN A 81 4.708 -3.570 3.668 1.00 0.00 C ATOM 1297 O ASN A 81 4.066 -4.561 3.996 1.00 0.00 O ATOM 1298 CB ASN A 81 5.407 -2.035 5.516 1.00 0.00 C ATOM 1299 CG ASN A 81 6.302 -1.938 6.737 1.00 0.00 C ATOM 1300 OD1 ASN A 81 6.079 -2.618 7.739 1.00 0.00 O ATOM 1301 ND2 ASN A 81 7.319 -1.094 6.668 1.00 0.00 N ATOM 0 H ASN A 81 7.018 -1.534 3.679 1.00 0.00 H new ATOM 0 HA ASN A 81 6.288 -3.942 5.056 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.365 -1.063 5.024 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.392 -2.276 5.833 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.950 -0.990 7.462 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.472 -0.547 5.820 1.00 0.00 H new ATOM 1308 N PHE A 82 4.436 -2.867 2.580 1.00 0.00 N ATOM 1309 CA PHE A 82 3.325 -3.209 1.702 1.00 0.00 C ATOM 1310 C PHE A 82 3.611 -4.512 0.967 1.00 0.00 C ATOM 1311 O PHE A 82 2.710 -5.320 0.745 1.00 0.00 O ATOM 1312 CB PHE A 82 3.068 -2.073 0.710 1.00 0.00 C ATOM 1313 CG PHE A 82 1.795 -2.221 -0.073 1.00 0.00 C ATOM 1314 CD1 PHE A 82 0.569 -2.268 0.573 1.00 0.00 C ATOM 1315 CD2 PHE A 82 1.824 -2.312 -1.452 1.00 0.00 C ATOM 1316 CE1 PHE A 82 -0.603 -2.402 -0.147 1.00 0.00 C ATOM 1317 CE2 PHE A 82 0.658 -2.446 -2.177 1.00 0.00 C ATOM 1318 CZ PHE A 82 -0.558 -2.491 -1.524 1.00 0.00 C ATOM 0 H PHE A 82 4.972 -2.052 2.282 1.00 0.00 H new ATOM 0 HA PHE A 82 2.429 -3.348 2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 82 3.040 -1.129 1.254 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.905 -2.015 0.015 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.530 -2.199 1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.772 -2.278 -1.969 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.552 -2.437 0.367 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.696 -2.516 -3.254 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.472 -2.596 -2.089 1.00 0.00 H new ATOM 1328 N LEU A 83 4.873 -4.716 0.605 1.00 0.00 N ATOM 1329 CA LEU A 83 5.294 -5.970 -0.004 1.00 0.00 C ATOM 1330 C LEU A 83 5.111 -7.117 0.985 1.00 0.00 C ATOM 1331 O LEU A 83 4.653 -8.201 0.622 1.00 0.00 O ATOM 1332 CB LEU A 83 6.757 -5.884 -0.451 1.00 0.00 C ATOM 1333 CG LEU A 83 7.046 -4.856 -1.553 1.00 0.00 C ATOM 1334 CD1 LEU A 83 8.537 -4.807 -1.866 1.00 0.00 C ATOM 1335 CD2 LEU A 83 6.252 -5.185 -2.808 1.00 0.00 C ATOM 0 H LEU A 83 5.619 -4.031 0.723 1.00 0.00 H new ATOM 0 HA LEU A 83 4.676 -6.157 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.372 -5.644 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.071 -6.867 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 83 6.738 -3.874 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.720 -4.072 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.088 -4.526 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.870 -5.788 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.469 -4.446 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.531 -6.176 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.186 -5.169 -2.579 1.00 0.00 H new ATOM 1347 N GLU A 84 5.465 -6.858 2.241 1.00 0.00 N ATOM 1348 CA GLU A 84 5.253 -7.821 3.311 1.00 0.00 C ATOM 1349 C GLU A 84 3.760 -8.083 3.498 1.00 0.00 C ATOM 1350 O GLU A 84 3.343 -9.225 3.659 1.00 0.00 O ATOM 1351 CB GLU A 84 5.869 -7.304 4.614 1.00 0.00 C ATOM 1352 CG GLU A 84 5.677 -8.237 5.800 1.00 0.00 C ATOM 1353 CD GLU A 84 6.344 -9.581 5.610 1.00 0.00 C ATOM 1354 OE1 GLU A 84 7.543 -9.703 5.940 1.00 0.00 O ATOM 1355 OE2 GLU A 84 5.677 -10.523 5.143 1.00 0.00 O ATOM 0 H GLU A 84 5.901 -5.986 2.541 1.00 0.00 H new ATOM 0 HA GLU A 84 5.739 -8.758 3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.936 -7.142 4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.431 -6.335 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.077 -7.763 6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.611 -8.388 5.968 1.00 0.00 H new ATOM 1362 N LEU A 85 2.967 -7.016 3.446 1.00 0.00 N ATOM 1363 CA LEU A 85 1.518 -7.103 3.615 1.00 0.00 C ATOM 1364 C LEU A 85 0.921 -8.107 2.628 1.00 0.00 C ATOM 1365 O LEU A 85 0.095 -8.942 3.000 1.00 0.00 O ATOM 1366 CB LEU A 85 0.894 -5.711 3.422 1.00 0.00 C ATOM 1367 CG LEU A 85 -0.526 -5.516 3.976 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -0.829 -4.033 4.122 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -1.568 -6.167 3.074 1.00 0.00 C ATOM 0 H LEU A 85 3.309 -6.068 3.286 1.00 0.00 H new ATOM 0 HA LEU A 85 1.296 -7.453 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.548 -4.976 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.878 -5.489 2.355 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.573 -5.997 4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.837 -3.905 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.112 -3.581 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.755 -3.549 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.562 -6.011 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.520 -5.720 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.369 -7.236 3.001 1.00 0.00 H new ATOM 1381 N VAL A 86 1.351 -8.024 1.376 1.00 0.00 N ATOM 1382 CA VAL A 86 0.892 -8.950 0.346 1.00 0.00 C ATOM 1383 C VAL A 86 1.304 -10.383 0.690 1.00 0.00 C ATOM 1384 O VAL A 86 0.493 -11.309 0.626 1.00 0.00 O ATOM 1385 CB VAL A 86 1.454 -8.575 -1.046 1.00 0.00 C ATOM 1386 CG1 VAL A 86 0.957 -9.541 -2.114 1.00 0.00 C ATOM 1387 CG2 VAL A 86 1.083 -7.144 -1.408 1.00 0.00 C ATOM 0 H VAL A 86 2.017 -7.325 1.048 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.195 -8.882 0.310 1.00 0.00 H new ATOM 0 HB VAL A 86 2.541 -8.649 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.367 -9.255 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.280 -10.553 -1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.132 -9.508 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.488 -6.901 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.002 -7.043 -1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.497 -6.462 -0.666 1.00 0.00 H new ATOM 1397 N LEU A 87 2.560 -10.548 1.091 1.00 0.00 N ATOM 1398 CA LEU A 87 3.109 -11.863 1.398 1.00 0.00 C ATOM 1399 C LEU A 87 2.400 -12.498 2.597 1.00 0.00 C ATOM 1400 O LEU A 87 1.961 -13.652 2.532 1.00 0.00 O ATOM 1401 CB LEU A 87 4.611 -11.754 1.675 1.00 0.00 C ATOM 1402 CG LEU A 87 5.321 -13.079 1.955 1.00 0.00 C ATOM 1403 CD1 LEU A 87 5.238 -13.997 0.745 1.00 0.00 C ATOM 1404 CD2 LEU A 87 6.771 -12.830 2.341 1.00 0.00 C ATOM 0 H LEU A 87 3.221 -9.781 1.212 1.00 0.00 H new ATOM 0 HA LEU A 87 2.947 -12.505 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.088 -11.279 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.759 -11.093 2.529 1.00 0.00 H new ATOM 0 HG LEU A 87 4.821 -13.570 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.749 -14.935 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.192 -14.199 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.713 -13.516 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.264 -13.782 2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.282 -12.318 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.808 -12.211 3.237 1.00 0.00 H new ATOM 1416 N GLN A 88 2.277 -11.739 3.683 1.00 0.00 N ATOM 1417 CA GLN A 88 1.664 -12.240 4.912 1.00 0.00 C ATOM 1418 C GLN A 88 0.184 -12.547 4.706 1.00 0.00 C ATOM 1419 O GLN A 88 -0.394 -13.355 5.434 1.00 0.00 O ATOM 1420 CB GLN A 88 1.839 -11.239 6.060 1.00 0.00 C ATOM 1421 CG GLN A 88 1.229 -9.874 5.791 1.00 0.00 C ATOM 1422 CD GLN A 88 1.354 -8.932 6.970 1.00 0.00 C ATOM 1423 OE1 GLN A 88 2.274 -9.042 7.775 1.00 0.00 O ATOM 1424 NE2 GLN A 88 0.433 -7.989 7.070 1.00 0.00 N ATOM 0 H GLN A 88 2.595 -10.771 3.738 1.00 0.00 H new ATOM 0 HA GLN A 88 2.173 -13.167 5.177 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.390 -11.655 6.962 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.903 -11.116 6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.715 -9.429 4.923 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.176 -9.995 5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.316 -7.932 6.380 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.471 -7.318 7.838 1.00 0.00 H new ATOM 1433 N SER A 89 -0.420 -11.913 3.709 1.00 0.00 N ATOM 1434 CA SER A 89 -1.815 -12.162 3.381 1.00 0.00 C ATOM 1435 C SER A 89 -1.978 -13.579 2.832 1.00 0.00 C ATOM 1436 O SER A 89 -3.021 -14.214 3.014 1.00 0.00 O ATOM 1437 CB SER A 89 -2.314 -11.123 2.364 1.00 0.00 C ATOM 1438 OG SER A 89 -3.727 -11.166 2.219 1.00 0.00 O ATOM 0 H SER A 89 0.036 -11.222 3.114 1.00 0.00 H new ATOM 0 HA SER A 89 -2.416 -12.071 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.011 -10.126 2.684 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.843 -11.304 1.398 1.00 0.00 H new ATOM 0 HG SER A 89 -4.010 -10.492 1.566 1.00 0.00 H new ATOM 1444 N TYR A 90 -0.926 -14.084 2.191 1.00 0.00 N ATOM 1445 CA TYR A 90 -0.962 -15.416 1.599 1.00 0.00 C ATOM 1446 C TYR A 90 -0.370 -16.468 2.534 1.00 0.00 C ATOM 1447 O TYR A 90 -1.044 -17.431 2.897 1.00 0.00 O ATOM 1448 CB TYR A 90 -0.211 -15.438 0.261 1.00 0.00 C ATOM 1449 CG TYR A 90 -0.819 -14.551 -0.802 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -2.165 -14.651 -1.132 1.00 0.00 C ATOM 1451 CD2 TYR A 90 -0.043 -13.622 -1.484 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -2.720 -13.849 -2.113 1.00 0.00 C ATOM 1453 CE2 TYR A 90 -0.591 -12.816 -2.463 1.00 0.00 C ATOM 1454 CZ TYR A 90 -1.930 -12.933 -2.774 1.00 0.00 C ATOM 1455 OH TYR A 90 -2.477 -12.139 -3.754 1.00 0.00 O ATOM 0 H TYR A 90 -0.041 -13.591 2.069 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.011 -15.660 1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.821 -15.129 0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.180 -16.463 -0.110 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.788 -15.366 -0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.006 -13.528 -1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.767 -13.940 -2.360 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.026 -12.098 -2.982 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.786 -11.548 -4.119 1.00 0.00 H new ATOM 1465 N VAL A 91 0.886 -16.280 2.935 1.00 0.00 N ATOM 1466 CA VAL A 91 1.597 -17.297 3.714 1.00 0.00 C ATOM 1467 C VAL A 91 1.298 -17.195 5.212 1.00 0.00 C ATOM 1468 O VAL A 91 1.585 -18.120 5.970 1.00 0.00 O ATOM 1469 CB VAL A 91 3.123 -17.230 3.490 1.00 0.00 C ATOM 1470 CG1 VAL A 91 3.465 -17.504 2.033 1.00 0.00 C ATOM 1471 CG2 VAL A 91 3.682 -15.886 3.925 1.00 0.00 C ATOM 0 H VAL A 91 1.430 -15.441 2.736 1.00 0.00 H new ATOM 0 HA VAL A 91 1.229 -18.258 3.354 1.00 0.00 H new ATOM 0 HB VAL A 91 3.585 -18.002 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.545 -17.452 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.112 -18.498 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.983 -16.759 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.759 -15.868 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.210 -15.091 3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.479 -15.733 4.985 1.00 0.00 H new ATOM 1481 N HIS A 92 0.738 -16.057 5.631 1.00 0.00 N ATOM 1482 CA HIS A 92 0.284 -15.858 7.016 1.00 0.00 C ATOM 1483 C HIS A 92 1.423 -16.015 8.030 1.00 0.00 C ATOM 1484 O HIS A 92 1.184 -16.386 9.177 1.00 0.00 O ATOM 1485 CB HIS A 92 -0.842 -16.848 7.359 1.00 0.00 C ATOM 1486 CG HIS A 92 -1.995 -16.833 6.398 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -2.547 -17.978 5.865 1.00 0.00 N ATOM 1488 CD2 HIS A 92 -2.690 -15.802 5.864 1.00 0.00 C ATOM 1489 CE1 HIS A 92 -3.528 -17.651 5.045 1.00 0.00 C ATOM 1490 NE2 HIS A 92 -3.637 -16.334 5.022 1.00 0.00 N ATOM 0 H HIS A 92 0.586 -15.250 5.026 1.00 0.00 H new ATOM 0 HA HIS A 92 -0.087 -14.835 7.082 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.426 -17.855 7.393 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.215 -16.623 8.358 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.530 -14.753 6.063 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -4.140 -18.344 4.486 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.311 -15.802 4.472 1.00 0.00 H new ATOM 1499 N HIS A 93 2.647 -15.680 7.628 1.00 0.00 N ATOM 1500 CA HIS A 93 3.824 -15.923 8.472 1.00 0.00 C ATOM 1501 C HIS A 93 4.021 -14.817 9.516 1.00 0.00 C ATOM 1502 O HIS A 93 5.146 -14.481 9.880 1.00 0.00 O ATOM 1503 CB HIS A 93 5.086 -16.082 7.599 1.00 0.00 C ATOM 1504 CG HIS A 93 5.631 -14.808 7.006 1.00 0.00 C ATOM 1505 ND1 HIS A 93 6.957 -14.450 7.100 1.00 0.00 N ATOM 1506 CD2 HIS A 93 5.034 -13.831 6.285 1.00 0.00 C ATOM 1507 CE1 HIS A 93 7.152 -13.310 6.468 1.00 0.00 C ATOM 1508 NE2 HIS A 93 6.001 -12.916 5.961 1.00 0.00 N ATOM 0 H HIS A 93 2.853 -15.242 6.730 1.00 0.00 H new ATOM 0 HA HIS A 93 3.652 -16.851 9.017 1.00 0.00 H new ATOM 0 HB2 HIS A 93 5.867 -16.545 8.202 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.860 -16.772 6.786 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.989 -13.782 6.015 1.00 0.00 H new ATOM 0 HE1 HIS A 93 8.094 -12.788 6.381 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.854 -12.067 5.415 1.00 0.00 H new ATOM 1517 N ILE A 94 2.922 -14.284 10.024 1.00 0.00 N ATOM 1518 CA ILE A 94 2.974 -13.212 11.009 1.00 0.00 C ATOM 1519 C ILE A 94 2.110 -13.539 12.221 1.00 0.00 C ATOM 1520 O ILE A 94 1.855 -12.680 13.067 1.00 0.00 O ATOM 1521 CB ILE A 94 2.539 -11.860 10.398 1.00 0.00 C ATOM 1522 CG1 ILE A 94 1.337 -12.025 9.449 1.00 0.00 C ATOM 1523 CG2 ILE A 94 3.706 -11.215 9.664 1.00 0.00 C ATOM 1524 CD1 ILE A 94 0.033 -12.379 10.138 1.00 0.00 C ATOM 0 H ILE A 94 1.978 -14.577 9.770 1.00 0.00 H new ATOM 0 HA ILE A 94 4.011 -13.123 11.333 1.00 0.00 H new ATOM 0 HB ILE A 94 2.227 -11.211 11.216 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.199 -11.097 8.894 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.570 -12.801 8.720 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.387 -10.264 9.238 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.525 -11.043 10.362 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.043 -11.875 8.865 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.757 -12.475 9.394 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.147 -13.323 10.670 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.229 -11.593 10.846 1.00 0.00 H new ATOM 1536 N HIS A 95 1.706 -14.802 12.296 1.00 0.00 N ATOM 1537 CA HIS A 95 0.779 -15.308 13.310 1.00 0.00 C ATOM 1538 C HIS A 95 -0.585 -14.618 13.222 1.00 0.00 C ATOM 1539 O HIS A 95 -1.534 -15.200 12.699 1.00 0.00 O ATOM 1540 CB HIS A 95 1.358 -15.194 14.727 1.00 0.00 C ATOM 1541 CG HIS A 95 0.649 -16.062 15.733 1.00 0.00 C ATOM 1542 ND1 HIS A 95 0.726 -15.865 17.095 1.00 0.00 N ATOM 1543 CD2 HIS A 95 -0.139 -17.151 15.561 1.00 0.00 C ATOM 1544 CE1 HIS A 95 0.023 -16.797 17.716 1.00 0.00 C ATOM 1545 NE2 HIS A 95 -0.514 -17.588 16.806 1.00 0.00 N ATOM 0 H HIS A 95 2.018 -15.520 11.642 1.00 0.00 H new ATOM 0 HA HIS A 95 0.634 -16.368 13.099 1.00 0.00 H new ATOM 0 HB2 HIS A 95 2.413 -15.465 14.703 1.00 0.00 H new ATOM 0 HB3 HIS A 95 1.303 -14.155 15.052 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.420 -17.594 14.617 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.092 -16.894 18.785 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -1.111 -18.393 16.997 1.00 0.00 H new ATOM 1554 N LYS A 96 -0.690 -13.383 13.714 1.00 0.00 N ATOM 1555 CA LYS A 96 -1.975 -12.689 13.725 1.00 0.00 C ATOM 1556 C LYS A 96 -1.801 -11.179 13.910 1.00 0.00 C ATOM 1557 O LYS A 96 -2.265 -10.387 13.090 1.00 0.00 O ATOM 1558 CB LYS A 96 -2.862 -13.254 14.845 1.00 0.00 C ATOM 1559 CG LYS A 96 -4.334 -13.389 14.476 1.00 0.00 C ATOM 1560 CD LYS A 96 -5.005 -12.039 14.270 1.00 0.00 C ATOM 1561 CE LYS A 96 -6.471 -12.206 13.899 1.00 0.00 C ATOM 1562 NZ LYS A 96 -7.175 -10.902 13.805 1.00 0.00 N ATOM 0 H LYS A 96 0.087 -12.850 14.104 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.452 -12.853 12.759 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.481 -14.234 15.134 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.777 -12.609 15.719 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.425 -13.980 13.565 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.855 -13.935 15.263 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.923 -11.446 15.181 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.488 -11.489 13.484 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.546 -12.728 12.945 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.964 -12.831 14.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.170 -11.062 13.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.127 -10.414 14.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.722 -10.314 13.076 1.00 0.00 H new ATOM 1576 N LYS A 97 -1.107 -10.791 14.974 1.00 0.00 N ATOM 1577 CA LYS A 97 -1.042 -9.388 15.389 1.00 0.00 C ATOM 1578 C LYS A 97 -0.296 -8.527 14.370 1.00 0.00 C ATOM 1579 O LYS A 97 -0.722 -7.411 14.061 1.00 0.00 O ATOM 1580 CB LYS A 97 -0.361 -9.271 16.756 1.00 0.00 C ATOM 1581 CG LYS A 97 -0.479 -7.889 17.379 1.00 0.00 C ATOM 1582 CD LYS A 97 0.417 -7.750 18.598 1.00 0.00 C ATOM 1583 CE LYS A 97 0.187 -6.431 19.322 1.00 0.00 C ATOM 1584 NZ LYS A 97 -1.129 -6.394 20.016 1.00 0.00 N ATOM 0 H LYS A 97 -0.578 -11.429 15.569 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.066 -9.021 15.455 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.798 -10.004 17.434 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.694 -9.524 16.650 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.212 -7.132 16.641 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.515 -7.704 17.664 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.230 -8.578 19.282 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.461 -7.819 18.292 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.984 -6.273 20.049 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.242 -5.611 18.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.181 -5.547 20.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.893 -6.365 19.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.235 -7.244 20.605 1.00 0.00 H new ATOM 1598 N ARG A 98 0.807 -9.052 13.844 1.00 0.00 N ATOM 1599 CA ARG A 98 1.644 -8.299 12.911 1.00 0.00 C ATOM 1600 C ARG A 98 0.876 -7.889 11.659 1.00 0.00 C ATOM 1601 O ARG A 98 1.175 -6.858 11.056 1.00 0.00 O ATOM 1602 CB ARG A 98 2.882 -9.103 12.511 1.00 0.00 C ATOM 1603 CG ARG A 98 4.026 -9.023 13.510 1.00 0.00 C ATOM 1604 CD ARG A 98 5.268 -9.717 12.969 1.00 0.00 C ATOM 1605 NE ARG A 98 6.454 -9.455 13.782 1.00 0.00 N ATOM 1606 CZ ARG A 98 7.703 -9.513 13.317 1.00 0.00 C ATOM 1607 NH1 ARG A 98 7.934 -9.841 12.050 1.00 0.00 N ATOM 1608 NH2 ARG A 98 8.723 -9.238 14.115 1.00 0.00 N ATOM 0 H ARG A 98 1.143 -9.994 14.046 1.00 0.00 H new ATOM 0 HA ARG A 98 1.957 -7.394 13.432 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.598 -10.148 12.384 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.235 -8.748 11.542 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.253 -7.979 13.727 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.726 -9.486 14.450 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.091 -10.792 12.927 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.451 -9.384 11.947 1.00 0.00 H new ATOM 0 HE ARG A 98 6.319 -9.213 14.764 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.154 -10.050 11.427 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.891 -9.884 11.701 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.555 -8.981 15.088 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.677 -9.283 13.757 1.00 0.00 H new ATOM 1622 N PHE A 99 -0.117 -8.686 11.275 1.00 0.00 N ATOM 1623 CA PHE A 99 -0.904 -8.394 10.082 1.00 0.00 C ATOM 1624 C PHE A 99 -1.589 -7.041 10.223 1.00 0.00 C ATOM 1625 O PHE A 99 -1.612 -6.241 9.288 1.00 0.00 O ATOM 1626 CB PHE A 99 -1.949 -9.490 9.838 1.00 0.00 C ATOM 1627 CG PHE A 99 -2.647 -9.375 8.508 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -3.785 -8.597 8.367 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -2.155 -10.041 7.398 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -4.418 -8.488 7.144 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -2.784 -9.934 6.172 1.00 0.00 C ATOM 1632 CZ PHE A 99 -3.916 -9.156 6.045 1.00 0.00 C ATOM 0 H PHE A 99 -0.394 -9.534 11.769 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.230 -8.364 9.226 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.463 -10.464 9.900 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.693 -9.454 10.633 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.181 -8.070 9.222 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.269 -10.651 7.491 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.306 -7.880 7.048 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.390 -10.459 5.314 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.409 -9.070 5.088 1.00 0.00 H new ATOM 1642 N LYS A 100 -2.120 -6.786 11.409 1.00 0.00 N ATOM 1643 CA LYS A 100 -2.830 -5.546 11.680 1.00 0.00 C ATOM 1644 C LYS A 100 -1.878 -4.359 11.661 1.00 0.00 C ATOM 1645 O LYS A 100 -2.098 -3.395 10.941 1.00 0.00 O ATOM 1646 CB LYS A 100 -3.519 -5.620 13.044 1.00 0.00 C ATOM 1647 CG LYS A 100 -4.271 -4.352 13.418 1.00 0.00 C ATOM 1648 CD LYS A 100 -4.676 -4.357 14.882 1.00 0.00 C ATOM 1649 CE LYS A 100 -5.357 -3.058 15.282 1.00 0.00 C ATOM 1650 NZ LYS A 100 -5.628 -3.009 16.742 1.00 0.00 N ATOM 0 H LYS A 100 -2.072 -7.425 12.203 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.578 -5.410 10.899 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.215 -6.459 13.044 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.770 -5.827 13.809 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.645 -3.483 13.216 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.160 -4.257 12.794 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.349 -5.194 15.070 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.794 -4.511 15.503 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.727 -2.214 15.000 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.293 -2.954 14.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.093 -2.109 16.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.249 -3.800 17.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.732 -3.083 17.264 1.00 0.00 H new ATOM 1664 N ASP A 101 -0.815 -4.457 12.445 1.00 0.00 N ATOM 1665 CA ASP A 101 0.133 -3.353 12.625 1.00 0.00 C ATOM 1666 C ASP A 101 0.719 -2.892 11.297 1.00 0.00 C ATOM 1667 O ASP A 101 0.788 -1.694 11.021 1.00 0.00 O ATOM 1668 CB ASP A 101 1.262 -3.787 13.558 1.00 0.00 C ATOM 1669 CG ASP A 101 2.215 -2.656 13.893 1.00 0.00 C ATOM 1670 OD1 ASP A 101 1.870 -1.825 14.761 1.00 0.00 O ATOM 1671 OD2 ASP A 101 3.309 -2.599 13.299 1.00 0.00 O ATOM 0 H ASP A 101 -0.580 -5.297 12.974 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.411 -2.516 13.063 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.834 -4.181 14.480 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.819 -4.600 13.093 1.00 0.00 H new ATOM 1676 N ILE A 102 1.132 -3.845 10.478 1.00 0.00 N ATOM 1677 CA ILE A 102 1.691 -3.530 9.168 1.00 0.00 C ATOM 1678 C ILE A 102 0.650 -2.862 8.274 1.00 0.00 C ATOM 1679 O ILE A 102 0.943 -1.862 7.615 1.00 0.00 O ATOM 1680 CB ILE A 102 2.265 -4.790 8.481 1.00 0.00 C ATOM 1681 CG1 ILE A 102 3.453 -5.320 9.290 1.00 0.00 C ATOM 1682 CG2 ILE A 102 2.683 -4.484 7.045 1.00 0.00 C ATOM 1683 CD1 ILE A 102 4.090 -6.564 8.711 1.00 0.00 C ATOM 0 H ILE A 102 1.092 -4.841 10.693 1.00 0.00 H new ATOM 0 HA ILE A 102 2.511 -2.829 9.324 1.00 0.00 H new ATOM 0 HB ILE A 102 1.490 -5.556 8.445 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.208 -4.537 9.361 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.120 -5.534 10.306 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.084 -5.386 6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.817 -4.140 6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.447 -3.707 7.046 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.923 -6.874 9.343 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.351 -7.364 8.666 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.456 -6.351 7.707 1.00 0.00 H new ATOM 1695 N THR A 103 -0.573 -3.386 8.278 1.00 0.00 N ATOM 1696 CA THR A 103 -1.652 -2.792 7.498 1.00 0.00 C ATOM 1697 C THR A 103 -1.944 -1.378 7.998 1.00 0.00 C ATOM 1698 O THR A 103 -2.114 -0.447 7.209 1.00 0.00 O ATOM 1699 CB THR A 103 -2.934 -3.647 7.575 1.00 0.00 C ATOM 1700 OG1 THR A 103 -2.636 -4.997 7.199 1.00 0.00 O ATOM 1701 CG2 THR A 103 -4.021 -3.093 6.660 1.00 0.00 C ATOM 0 H THR A 103 -0.839 -4.215 8.809 1.00 0.00 H new ATOM 0 HA THR A 103 -1.330 -2.751 6.457 1.00 0.00 H new ATOM 0 HB THR A 103 -3.301 -3.619 8.601 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.238 -5.468 7.960 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.912 -3.716 6.735 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.264 -2.074 6.960 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.664 -3.093 5.630 1.00 0.00 H new ATOM 1709 N GLU A 104 -1.966 -1.232 9.318 1.00 0.00 N ATOM 1710 CA GLU A 104 -2.183 0.055 9.964 1.00 0.00 C ATOM 1711 C GLU A 104 -1.100 1.053 9.574 1.00 0.00 C ATOM 1712 O GLU A 104 -1.400 2.188 9.219 1.00 0.00 O ATOM 1713 CB GLU A 104 -2.219 -0.128 11.483 1.00 0.00 C ATOM 1714 CG GLU A 104 -3.519 -0.727 11.990 1.00 0.00 C ATOM 1715 CD GLU A 104 -4.720 0.147 11.691 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -5.263 0.062 10.573 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -5.130 0.923 12.578 1.00 0.00 O ATOM 0 H GLU A 104 -1.834 -2.005 9.971 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.140 0.454 9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.391 -0.770 11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.063 0.839 11.961 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.665 -1.707 11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.447 -0.883 13.066 1.00 0.00 H new ATOM 1724 N SER A 105 0.153 0.615 9.630 1.00 0.00 N ATOM 1725 CA SER A 105 1.282 1.466 9.265 1.00 0.00 C ATOM 1726 C SER A 105 1.144 1.974 7.829 1.00 0.00 C ATOM 1727 O SER A 105 1.389 3.150 7.546 1.00 0.00 O ATOM 1728 CB SER A 105 2.595 0.696 9.427 1.00 0.00 C ATOM 1729 OG SER A 105 2.770 0.258 10.766 1.00 0.00 O ATOM 0 H SER A 105 0.414 -0.326 9.925 1.00 0.00 H new ATOM 0 HA SER A 105 1.288 2.328 9.932 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.601 -0.163 8.757 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.431 1.332 9.137 1.00 0.00 H new ATOM 0 HG SER A 105 2.113 -0.440 10.970 1.00 0.00 H new ATOM 1735 N VAL A 106 0.740 1.086 6.926 1.00 0.00 N ATOM 1736 CA VAL A 106 0.553 1.454 5.528 1.00 0.00 C ATOM 1737 C VAL A 106 -0.650 2.385 5.366 1.00 0.00 C ATOM 1738 O VAL A 106 -0.531 3.470 4.794 1.00 0.00 O ATOM 1739 CB VAL A 106 0.371 0.207 4.632 1.00 0.00 C ATOM 1740 CG1 VAL A 106 0.144 0.604 3.181 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.575 -0.715 4.745 1.00 0.00 C ATOM 0 H VAL A 106 0.536 0.109 7.137 1.00 0.00 H new ATOM 0 HA VAL A 106 1.455 1.977 5.210 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.512 -0.329 4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.019 -0.293 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.753 1.219 3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.003 1.170 2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.427 -1.586 4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.472 -0.182 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.690 -1.038 5.780 1.00 0.00 H new ATOM 1751 N LEU A 107 -1.796 1.970 5.899 1.00 0.00 N ATOM 1752 CA LEU A 107 -3.033 2.740 5.776 1.00 0.00 C ATOM 1753 C LEU A 107 -2.904 4.124 6.408 1.00 0.00 C ATOM 1754 O LEU A 107 -3.410 5.107 5.868 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.202 1.983 6.410 1.00 0.00 C ATOM 1756 CG LEU A 107 -4.758 0.819 5.585 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -5.867 0.115 6.348 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -5.270 1.314 4.240 1.00 0.00 C ATOM 0 H LEU A 107 -1.895 1.100 6.423 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.227 2.874 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.881 1.599 7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.010 2.690 6.600 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.953 0.107 5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.253 -0.710 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.473 -0.271 7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.671 0.821 6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.661 0.473 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.063 2.045 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.453 1.779 3.689 1.00 0.00 H new ATOM 1770 N TYR A 108 -2.224 4.199 7.546 1.00 0.00 N ATOM 1771 CA TYR A 108 -2.017 5.468 8.241 1.00 0.00 C ATOM 1772 C TYR A 108 -1.272 6.443 7.334 1.00 0.00 C ATOM 1773 O TYR A 108 -1.621 7.619 7.234 1.00 0.00 O ATOM 1774 CB TYR A 108 -1.228 5.232 9.531 1.00 0.00 C ATOM 1775 CG TYR A 108 -1.372 6.328 10.564 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -2.420 6.305 11.475 1.00 0.00 C ATOM 1777 CD2 TYR A 108 -0.456 7.370 10.644 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -2.555 7.291 12.433 1.00 0.00 C ATOM 1779 CE2 TYR A 108 -0.582 8.358 11.604 1.00 0.00 C ATOM 1780 CZ TYR A 108 -1.634 8.314 12.495 1.00 0.00 C ATOM 1781 OH TYR A 108 -1.760 9.290 13.460 1.00 0.00 O ATOM 0 H TYR A 108 -1.804 3.394 8.010 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.985 5.899 8.496 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.551 4.289 9.972 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.173 5.122 9.281 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.142 5.503 11.434 1.00 0.00 H new ATOM 0 HD2 TYR A 108 0.367 7.409 9.946 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.379 7.260 13.130 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.140 9.160 11.656 1.00 0.00 H new ATOM 0 HH TYR A 108 -1.030 9.937 13.368 1.00 0.00 H new ATOM 1791 N THR A 109 -0.259 5.927 6.653 1.00 0.00 N ATOM 1792 CA THR A 109 0.530 6.721 5.728 1.00 0.00 C ATOM 1793 C THR A 109 -0.290 7.078 4.485 1.00 0.00 C ATOM 1794 O THR A 109 -0.210 8.198 3.977 1.00 0.00 O ATOM 1795 CB THR A 109 1.801 5.957 5.313 1.00 0.00 C ATOM 1796 OG1 THR A 109 2.509 5.526 6.485 1.00 0.00 O ATOM 1797 CG2 THR A 109 2.713 6.826 4.461 1.00 0.00 C ATOM 0 H THR A 109 0.036 4.953 6.726 1.00 0.00 H new ATOM 0 HA THR A 109 0.818 7.643 6.234 1.00 0.00 H new ATOM 0 HB THR A 109 1.500 5.093 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.100 4.705 6.831 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.602 6.259 4.184 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.184 7.134 3.559 1.00 0.00 H new ATOM 0 HG23 THR A 109 3.008 7.709 5.028 1.00 0.00 H new ATOM 1805 N LEU A 110 -1.088 6.124 4.013 1.00 0.00 N ATOM 1806 CA LEU A 110 -1.945 6.341 2.853 1.00 0.00 C ATOM 1807 C LEU A 110 -2.950 7.455 3.121 1.00 0.00 C ATOM 1808 O LEU A 110 -3.224 8.275 2.246 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.671 5.047 2.478 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.766 3.918 1.982 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -2.576 2.660 1.715 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -1.024 4.350 0.727 1.00 0.00 C ATOM 0 H LEU A 110 -1.158 5.191 4.418 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.316 6.644 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.224 4.693 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.405 5.271 1.704 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.035 3.695 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.914 1.869 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.066 2.341 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.330 2.867 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.384 3.537 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.743 4.598 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.413 5.225 0.949 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.489 7.484 4.336 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.390 8.558 4.751 1.00 0.00 C ATOM 1826 C HIS A 111 -3.708 9.909 4.598 1.00 0.00 C ATOM 1827 O HIS A 111 -4.287 10.863 4.074 1.00 0.00 O ATOM 1828 CB HIS A 111 -4.818 8.379 6.211 1.00 0.00 C ATOM 1829 CG HIS A 111 -5.987 7.465 6.413 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -7.109 7.841 7.115 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.200 6.182 6.032 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -7.957 6.833 7.160 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -7.431 5.811 6.512 1.00 0.00 N ATOM 0 H HIS A 111 -3.319 6.777 5.051 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.272 8.517 4.112 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.971 7.994 6.779 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.063 9.357 6.626 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.525 5.565 5.457 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -8.921 6.842 7.646 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.867 4.897 6.388 1.00 0.00 H new ATOM 1842 N ALA A 112 -2.460 9.965 5.042 1.00 0.00 N ATOM 1843 CA ALA A 112 -1.687 11.196 5.029 1.00 0.00 C ATOM 1844 C ALA A 112 -1.439 11.685 3.606 1.00 0.00 C ATOM 1845 O ALA A 112 -1.702 12.842 3.287 1.00 0.00 O ATOM 1846 CB ALA A 112 -0.364 10.978 5.749 1.00 0.00 C ATOM 0 H ALA A 112 -1.958 9.161 5.420 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.261 11.964 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 112 0.213 11.903 5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.556 10.683 6.781 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.199 10.192 5.245 1.00 0.00 H new ATOM 1852 N VAL A 113 -0.974 10.785 2.749 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.575 11.147 1.392 1.00 0.00 C ATOM 1854 C VAL A 113 -1.799 11.467 0.547 1.00 0.00 C ATOM 1855 O VAL A 113 -1.762 12.343 -0.318 1.00 0.00 O ATOM 1856 CB VAL A 113 0.246 10.019 0.725 1.00 0.00 C ATOM 1857 CG1 VAL A 113 0.674 10.413 -0.680 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.464 9.676 1.568 1.00 0.00 C ATOM 0 H VAL A 113 -0.863 9.795 2.969 1.00 0.00 H new ATOM 0 HA VAL A 113 0.057 12.033 1.458 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.391 9.138 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.250 9.602 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.209 10.608 -1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.289 11.312 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.030 8.880 1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.095 10.559 1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.142 9.343 2.554 1.00 0.00 H new ATOM 1868 N LYS A 114 -2.886 10.763 0.825 1.00 0.00 N ATOM 1869 CA LYS A 114 -4.147 10.987 0.141 1.00 0.00 C ATOM 1870 C LYS A 114 -4.583 12.438 0.329 1.00 0.00 C ATOM 1871 O LYS A 114 -4.950 13.119 -0.633 1.00 0.00 O ATOM 1872 CB LYS A 114 -5.205 10.018 0.696 1.00 0.00 C ATOM 1873 CG LYS A 114 -6.497 9.920 -0.117 1.00 0.00 C ATOM 1874 CD LYS A 114 -7.387 11.153 0.017 1.00 0.00 C ATOM 1875 CE LYS A 114 -7.865 11.356 1.448 1.00 0.00 C ATOM 1876 NZ LYS A 114 -8.725 12.563 1.583 1.00 0.00 N ATOM 0 H LYS A 114 -2.917 10.024 1.528 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.030 10.801 -0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.763 9.024 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.457 10.325 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.247 9.773 -1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.055 9.040 0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.837 12.035 -0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.249 11.052 -0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.421 10.477 1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.003 11.450 2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.029 12.664 2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.187 13.406 1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.561 12.463 0.973 1.00 0.00 H new ATOM 1890 N ASP A 115 -4.524 12.913 1.569 1.00 0.00 N ATOM 1891 CA ASP A 115 -4.955 14.270 1.870 1.00 0.00 C ATOM 1892 C ASP A 115 -4.005 15.281 1.247 1.00 0.00 C ATOM 1893 O ASP A 115 -4.441 16.306 0.745 1.00 0.00 O ATOM 1894 CB ASP A 115 -5.052 14.503 3.379 1.00 0.00 C ATOM 1895 CG ASP A 115 -5.912 15.711 3.719 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -5.380 16.838 3.800 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -7.136 15.534 3.899 1.00 0.00 O ATOM 0 H ASP A 115 -4.186 12.384 2.373 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.948 14.404 1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.469 13.616 3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.052 14.644 3.788 1.00 0.00 H new ATOM 1902 N GLU A 116 -2.709 14.968 1.262 1.00 0.00 N ATOM 1903 CA GLU A 116 -1.688 15.827 0.659 1.00 0.00 C ATOM 1904 C GLU A 116 -2.011 16.126 -0.802 1.00 0.00 C ATOM 1905 O GLU A 116 -2.052 17.284 -1.215 1.00 0.00 O ATOM 1906 CB GLU A 116 -0.315 15.144 0.722 1.00 0.00 C ATOM 1907 CG GLU A 116 0.210 14.897 2.124 1.00 0.00 C ATOM 1908 CD GLU A 116 0.885 16.109 2.731 1.00 0.00 C ATOM 1909 OE1 GLU A 116 0.775 17.216 2.157 1.00 0.00 O ATOM 1910 OE2 GLU A 116 1.537 15.953 3.785 1.00 0.00 O ATOM 0 H GLU A 116 -2.339 14.119 1.689 1.00 0.00 H new ATOM 0 HA GLU A 116 -1.672 16.760 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.375 14.190 0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.406 15.758 0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.616 14.590 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 116 0.919 14.069 2.099 1.00 0.00 H new ATOM 1917 N ILE A 117 -2.243 15.069 -1.572 1.00 0.00 N ATOM 1918 CA ILE A 117 -2.504 15.195 -3.002 1.00 0.00 C ATOM 1919 C ILE A 117 -3.725 16.077 -3.264 1.00 0.00 C ATOM 1920 O ILE A 117 -3.686 16.975 -4.106 1.00 0.00 O ATOM 1921 CB ILE A 117 -2.719 13.812 -3.654 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -1.501 12.918 -3.411 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -2.987 13.955 -5.148 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -1.694 11.489 -3.872 1.00 0.00 C ATOM 0 H ILE A 117 -2.256 14.109 -1.227 1.00 0.00 H new ATOM 0 HA ILE A 117 -1.627 15.663 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 117 -3.591 13.346 -3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -0.640 13.344 -3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -1.267 12.919 -2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -3.136 12.968 -5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -3.882 14.559 -5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -2.136 14.440 -5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -0.790 10.915 -3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -2.534 11.045 -3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -1.897 11.476 -4.943 1.00 0.00 H new ATOM 1936 N ALA A 118 -4.797 15.830 -2.517 1.00 0.00 N ATOM 1937 CA ALA A 118 -6.034 16.586 -2.684 1.00 0.00 C ATOM 1938 C ALA A 118 -5.942 17.965 -2.028 1.00 0.00 C ATOM 1939 O ALA A 118 -6.756 18.851 -2.302 1.00 0.00 O ATOM 1940 CB ALA A 118 -7.212 15.803 -2.116 1.00 0.00 C ATOM 0 H ALA A 118 -4.834 15.114 -1.792 1.00 0.00 H new ATOM 0 HA ALA A 118 -6.191 16.738 -3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.128 16.378 -2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.303 14.851 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.048 15.618 -1.054 1.00 0.00 H new ATOM 1946 N ARG A 119 -4.956 18.145 -1.155 1.00 0.00 N ATOM 1947 CA ARG A 119 -4.764 19.418 -0.470 1.00 0.00 C ATOM 1948 C ARG A 119 -3.913 20.355 -1.315 1.00 0.00 C ATOM 1949 O ARG A 119 -4.171 21.558 -1.381 1.00 0.00 O ATOM 1950 CB ARG A 119 -4.104 19.207 0.899 1.00 0.00 C ATOM 1951 CG ARG A 119 -4.016 20.480 1.725 1.00 0.00 C ATOM 1952 CD ARG A 119 -3.566 20.208 3.152 1.00 0.00 C ATOM 1953 NE ARG A 119 -3.424 21.451 3.912 1.00 0.00 N ATOM 1954 CZ ARG A 119 -3.543 21.547 5.236 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -3.818 20.478 5.977 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -3.400 22.725 5.825 1.00 0.00 N ATOM 0 H ARG A 119 -4.278 17.425 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.744 19.869 -0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.669 18.459 1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.101 18.806 0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.319 21.171 1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -4.990 20.970 1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.289 19.558 3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -2.615 19.676 3.140 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.220 22.304 3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -3.941 19.568 5.533 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -3.906 20.568 6.989 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.200 23.554 5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -3.490 22.803 6.838 1.00 0.00 H new ATOM 1970 N GLU A 120 -2.899 19.797 -1.959 1.00 0.00 N ATOM 1971 CA GLU A 120 -1.991 20.580 -2.780 1.00 0.00 C ATOM 1972 C GLU A 120 -2.692 21.035 -4.058 1.00 0.00 C ATOM 1973 O GLU A 120 -2.441 22.132 -4.565 1.00 0.00 O ATOM 1974 CB GLU A 120 -0.746 19.760 -3.116 1.00 0.00 C ATOM 1975 CG GLU A 120 0.531 20.582 -3.158 1.00 0.00 C ATOM 1976 CD GLU A 120 0.895 21.167 -1.804 1.00 0.00 C ATOM 1977 OE1 GLU A 120 0.286 22.177 -1.404 1.00 0.00 O ATOM 1978 OE2 GLU A 120 1.812 20.632 -1.141 1.00 0.00 O ATOM 0 H GLU A 120 -2.685 18.800 -1.928 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.685 21.464 -2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.633 18.967 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.889 19.277 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.350 19.956 -3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.414 21.391 -3.879 1.00 0.00 H new