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 161:sc= -1.03 (180deg=-2.38!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.213 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 13 MET CE :methyl -132:sc= -0.358 (180deg=-1.21) USER MOD Single : A 19 LYS NZ :NH3+ -152:sc= 0.947 (180deg=0.346) USER MOD Single : A 24 TYR OH : rot 57:sc= 0.23 USER MOD Single : A 25 GLN : amide:sc= 1.02 K(o=1,f=-1.5!) USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= 1.19 (180deg=1.07) USER MOD Single : A 47 ASN : amide:sc= -1.26! K(o=-1.3!,f=-0.21) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= 1.28 (180deg=0.864) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= -0.0547 (180deg=-0.353) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.0347 X(o=-0.035,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.92! C(o=-1.9!,f=-6.9!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 1.24 K(o=1.2,f=-0.082) USER MOD Single : A 88 GLN : amide:sc= -5.12! C(o=-5.1!,f=-3.7!) USER MOD Single : A 89 SER OG : rot 52:sc= 1.23 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.247 X(o=-0.25,f=0.051) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 166:sc= -0.0936 (180deg=-0.417) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 105 SER OG : rot 80:sc= 0.991 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 83:sc= 0.665 USER MOD Single : A 111 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 156:sc= 0.056 (180deg=-0.232) USER MOD ----------------------------------------------------------------- ATOM 81 N LEU A 6 -0.911 10.461 -10.708 1.00 0.00 N ATOM 82 CA LEU A 6 -0.258 10.369 -9.397 1.00 0.00 C ATOM 83 C LEU A 6 -1.127 9.700 -8.328 1.00 0.00 C ATOM 84 O LEU A 6 -0.815 8.600 -7.869 1.00 0.00 O ATOM 85 CB LEU A 6 0.185 11.758 -8.923 1.00 0.00 C ATOM 86 CG LEU A 6 0.914 11.789 -7.582 1.00 0.00 C ATOM 87 CD1 LEU A 6 2.238 11.045 -7.670 1.00 0.00 C ATOM 88 CD2 LEU A 6 1.128 13.225 -7.134 1.00 0.00 C ATOM 0 HA LEU A 6 0.613 9.728 -9.534 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.836 12.192 -9.682 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.695 12.398 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 6 0.296 11.284 -6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.740 11.080 -6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.054 10.007 -7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.870 11.514 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.649 13.234 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.726 13.753 -7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.163 13.720 -7.027 1.00 0.00 H new ATOM 100 N LEU A 7 -2.214 10.356 -7.941 1.00 0.00 N ATOM 101 CA LEU A 7 -3.009 9.927 -6.791 1.00 0.00 C ATOM 102 C LEU A 7 -3.596 8.534 -6.988 1.00 0.00 C ATOM 103 O LEU A 7 -3.765 7.792 -6.025 1.00 0.00 O ATOM 104 CB LEU A 7 -4.130 10.926 -6.518 1.00 0.00 C ATOM 105 CG LEU A 7 -4.940 10.667 -5.241 1.00 0.00 C ATOM 106 CD1 LEU A 7 -4.032 10.614 -4.020 1.00 0.00 C ATOM 107 CD2 LEU A 7 -6.000 11.739 -5.059 1.00 0.00 C ATOM 0 H LEU A 7 -2.568 11.191 -8.407 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.338 9.887 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.698 11.925 -6.459 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.812 10.924 -7.368 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.431 9.699 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.631 10.429 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.305 9.811 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.508 11.564 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.566 11.541 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.521 12.715 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.675 11.732 -5.915 1.00 0.00 H new ATOM 119 N GLU A 8 -3.889 8.190 -8.232 1.00 0.00 N ATOM 120 CA GLU A 8 -4.493 6.902 -8.564 1.00 0.00 C ATOM 121 C GLU A 8 -3.679 5.725 -8.034 1.00 0.00 C ATOM 122 O GLU A 8 -4.249 4.725 -7.601 1.00 0.00 O ATOM 123 CB GLU A 8 -4.669 6.783 -10.074 1.00 0.00 C ATOM 124 CG GLU A 8 -5.660 7.784 -10.644 1.00 0.00 C ATOM 125 CD GLU A 8 -7.077 7.556 -10.147 1.00 0.00 C ATOM 126 OE1 GLU A 8 -7.392 7.973 -9.011 1.00 0.00 O ATOM 127 OE2 GLU A 8 -7.886 6.975 -10.902 1.00 0.00 O ATOM 0 H GLU A 8 -3.717 8.790 -9.039 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.467 6.864 -8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.702 6.923 -10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.003 5.774 -10.316 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.344 8.793 -10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.647 7.722 -11.732 1.00 0.00 H new ATOM 134 N MET A 9 -2.351 5.837 -8.048 1.00 0.00 N ATOM 135 CA MET A 9 -1.512 4.767 -7.519 1.00 0.00 C ATOM 136 C MET A 9 -1.724 4.622 -6.014 1.00 0.00 C ATOM 137 O MET A 9 -1.650 3.522 -5.469 1.00 0.00 O ATOM 138 CB MET A 9 -0.028 5.001 -7.828 1.00 0.00 C ATOM 139 CG MET A 9 0.333 4.822 -9.297 1.00 0.00 C ATOM 140 SD MET A 9 0.140 6.338 -10.259 1.00 0.00 S ATOM 141 CE MET A 9 1.529 7.291 -9.646 1.00 0.00 C ATOM 0 H MET A 9 -1.842 6.642 -8.413 1.00 0.00 H new ATOM 0 HA MET A 9 -1.809 3.841 -8.012 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.243 6.010 -7.518 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.570 4.313 -7.231 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.365 4.479 -9.373 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.295 4.042 -9.728 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.761 8.091 -10.350 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.275 7.722 -8.678 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.397 6.641 -9.537 1.00 0.00 H new ATOM 151 N THR A 10 -2.008 5.738 -5.354 1.00 0.00 N ATOM 152 CA THR A 10 -2.318 5.728 -3.934 1.00 0.00 C ATOM 153 C THR A 10 -3.715 5.156 -3.715 1.00 0.00 C ATOM 154 O THR A 10 -3.913 4.282 -2.875 1.00 0.00 O ATOM 155 CB THR A 10 -2.251 7.147 -3.335 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.030 7.784 -3.733 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.333 7.108 -1.817 1.00 0.00 C ATOM 0 H THR A 10 -2.029 6.663 -5.783 1.00 0.00 H new ATOM 0 HA THR A 10 -1.576 5.106 -3.433 1.00 0.00 H new ATOM 0 HB THR A 10 -3.103 7.714 -3.710 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.992 8.686 -3.351 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.283 8.123 -1.424 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.274 6.648 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.501 6.525 -1.423 1.00 0.00 H new ATOM 165 N GLU A 11 -4.670 5.648 -4.503 1.00 0.00 N ATOM 166 CA GLU A 11 -6.058 5.199 -4.434 1.00 0.00 C ATOM 167 C GLU A 11 -6.145 3.684 -4.612 1.00 0.00 C ATOM 168 O GLU A 11 -6.848 2.994 -3.866 1.00 0.00 O ATOM 169 CB GLU A 11 -6.888 5.897 -5.519 1.00 0.00 C ATOM 170 CG GLU A 11 -6.847 7.417 -5.452 1.00 0.00 C ATOM 171 CD GLU A 11 -7.459 7.972 -4.183 1.00 0.00 C ATOM 172 OE1 GLU A 11 -8.681 8.223 -4.170 1.00 0.00 O ATOM 173 OE2 GLU A 11 -6.723 8.191 -3.200 1.00 0.00 O ATOM 0 H GLU A 11 -4.503 6.368 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.455 5.457 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.529 5.577 -6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.924 5.568 -5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.812 7.750 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.375 7.827 -6.313 1.00 0.00 H new ATOM 180 N GLN A 12 -5.417 3.173 -5.599 1.00 0.00 N ATOM 181 CA GLN A 12 -5.359 1.742 -5.858 1.00 0.00 C ATOM 182 C GLN A 12 -4.752 1.010 -4.665 1.00 0.00 C ATOM 183 O GLN A 12 -5.300 0.015 -4.190 1.00 0.00 O ATOM 184 CB GLN A 12 -4.537 1.479 -7.125 1.00 0.00 C ATOM 185 CG GLN A 12 -4.316 0.006 -7.429 1.00 0.00 C ATOM 186 CD GLN A 12 -3.600 -0.209 -8.749 1.00 0.00 C ATOM 187 OE1 GLN A 12 -2.827 0.637 -9.199 1.00 0.00 O ATOM 188 NE2 GLN A 12 -3.840 -1.351 -9.370 1.00 0.00 N ATOM 0 H GLN A 12 -4.855 3.736 -6.237 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.371 1.366 -6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.040 1.942 -7.974 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.568 1.967 -7.024 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.734 -0.445 -6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.278 -0.506 -7.453 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.488 -2.026 -8.964 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.377 -1.557 -10.255 1.00 0.00 H new ATOM 197 N MET A 13 -3.629 1.526 -4.171 1.00 0.00 N ATOM 198 CA MET A 13 -2.938 0.925 -3.033 1.00 0.00 C ATOM 199 C MET A 13 -3.838 0.908 -1.795 1.00 0.00 C ATOM 200 O MET A 13 -3.801 -0.040 -1.006 1.00 0.00 O ATOM 201 CB MET A 13 -1.634 1.678 -2.737 1.00 0.00 C ATOM 202 CG MET A 13 -0.798 1.049 -1.630 1.00 0.00 C ATOM 203 SD MET A 13 0.799 1.857 -1.419 1.00 0.00 S ATOM 204 CE MET A 13 1.523 1.600 -3.036 1.00 0.00 C ATOM 0 H MET A 13 -3.177 2.362 -4.542 1.00 0.00 H new ATOM 0 HA MET A 13 -2.694 -0.106 -3.290 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.037 1.724 -3.648 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.873 2.705 -2.460 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.351 1.096 -0.692 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.640 -0.006 -1.855 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.539 1.221 -2.924 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.926 0.877 -3.591 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.546 2.545 -3.579 1.00 0.00 H new ATOM 214 N ILE A 14 -4.643 1.958 -1.636 1.00 0.00 N ATOM 215 CA ILE A 14 -5.620 2.033 -0.553 1.00 0.00 C ATOM 216 C ILE A 14 -6.544 0.819 -0.572 1.00 0.00 C ATOM 217 O ILE A 14 -6.705 0.130 0.440 1.00 0.00 O ATOM 218 CB ILE A 14 -6.484 3.319 -0.648 1.00 0.00 C ATOM 219 CG1 ILE A 14 -5.642 4.570 -0.379 1.00 0.00 C ATOM 220 CG2 ILE A 14 -7.663 3.257 0.317 1.00 0.00 C ATOM 221 CD1 ILE A 14 -5.116 4.662 1.037 1.00 0.00 C ATOM 0 H ILE A 14 -4.636 2.773 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.056 2.054 0.379 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.873 3.380 -1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.800 4.585 -1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.244 5.454 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -8.252 4.170 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -8.288 2.398 0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.293 3.159 1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.530 5.574 1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.953 4.680 1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.486 3.798 1.248 1.00 0.00 H new ATOM 233 N GLU A 15 -7.137 0.553 -1.731 1.00 0.00 N ATOM 234 CA GLU A 15 -8.102 -0.530 -1.847 1.00 0.00 C ATOM 235 C GLU A 15 -7.430 -1.888 -1.668 1.00 0.00 C ATOM 236 O GLU A 15 -8.004 -2.788 -1.067 1.00 0.00 O ATOM 237 CB GLU A 15 -8.828 -0.479 -3.190 1.00 0.00 C ATOM 238 CG GLU A 15 -10.003 -1.437 -3.257 1.00 0.00 C ATOM 239 CD GLU A 15 -10.646 -1.494 -4.624 1.00 0.00 C ATOM 240 OE1 GLU A 15 -11.369 -0.545 -4.991 1.00 0.00 O ATOM 241 OE2 GLU A 15 -10.452 -2.503 -5.326 1.00 0.00 O ATOM 0 H GLU A 15 -6.968 1.068 -2.595 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.835 -0.399 -1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.182 0.536 -3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.125 -0.717 -3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.666 -2.436 -2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.751 -1.137 -2.523 1.00 0.00 H new ATOM 248 N VAL A 16 -6.210 -2.029 -2.180 1.00 0.00 N ATOM 249 CA VAL A 16 -5.475 -3.288 -2.055 1.00 0.00 C ATOM 250 C VAL A 16 -5.242 -3.631 -0.585 1.00 0.00 C ATOM 251 O VAL A 16 -5.414 -4.778 -0.172 1.00 0.00 O ATOM 252 CB VAL A 16 -4.118 -3.244 -2.799 1.00 0.00 C ATOM 253 CG1 VAL A 16 -3.360 -4.557 -2.629 1.00 0.00 C ATOM 254 CG2 VAL A 16 -4.328 -2.938 -4.274 1.00 0.00 C ATOM 0 H VAL A 16 -5.711 -1.294 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.088 -4.062 -2.517 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.518 -2.446 -2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.410 -4.500 -3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.173 -4.734 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.955 -5.376 -3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.363 -2.911 -4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.951 -3.712 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.820 -1.971 -4.379 1.00 0.00 H new ATOM 264 N ALA A 17 -4.884 -2.623 0.203 1.00 0.00 N ATOM 265 CA ALA A 17 -4.658 -2.817 1.631 1.00 0.00 C ATOM 266 C ALA A 17 -5.955 -3.204 2.336 1.00 0.00 C ATOM 267 O ALA A 17 -5.998 -4.179 3.092 1.00 0.00 O ATOM 268 CB ALA A 17 -4.069 -1.562 2.257 1.00 0.00 C ATOM 0 H ALA A 17 -4.744 -1.666 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.944 -3.631 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.908 -1.728 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.118 -1.329 1.778 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.758 -0.729 2.120 1.00 0.00 H new ATOM 274 N GLU A 18 -7.010 -2.434 2.082 1.00 0.00 N ATOM 275 CA GLU A 18 -8.324 -2.709 2.640 1.00 0.00 C ATOM 276 C GLU A 18 -8.832 -4.093 2.230 1.00 0.00 C ATOM 277 O GLU A 18 -9.424 -4.811 3.037 1.00 0.00 O ATOM 278 CB GLU A 18 -9.304 -1.633 2.187 1.00 0.00 C ATOM 279 CG GLU A 18 -9.044 -0.268 2.804 1.00 0.00 C ATOM 280 CD GLU A 18 -9.340 -0.213 4.293 1.00 0.00 C ATOM 281 OE1 GLU A 18 -9.623 -1.269 4.898 1.00 0.00 O ATOM 282 OE2 GLU A 18 -9.302 0.897 4.865 1.00 0.00 O ATOM 0 H GLU A 18 -6.975 -1.607 1.486 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.243 -2.698 3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.257 -1.546 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.317 -1.948 2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.002 0.005 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.654 0.476 2.292 1.00 0.00 H new ATOM 289 N LYS A 19 -8.608 -4.457 0.970 1.00 0.00 N ATOM 290 CA LYS A 19 -8.989 -5.772 0.470 1.00 0.00 C ATOM 291 C LYS A 19 -8.175 -6.870 1.143 1.00 0.00 C ATOM 292 O LYS A 19 -8.723 -7.887 1.555 1.00 0.00 O ATOM 293 CB LYS A 19 -8.806 -5.859 -1.049 1.00 0.00 C ATOM 294 CG LYS A 19 -10.053 -5.513 -1.850 1.00 0.00 C ATOM 295 CD LYS A 19 -9.817 -5.717 -3.338 1.00 0.00 C ATOM 296 CE LYS A 19 -11.120 -5.740 -4.128 1.00 0.00 C ATOM 297 NZ LYS A 19 -11.854 -4.449 -4.058 1.00 0.00 N ATOM 0 H LYS A 19 -8.163 -3.857 0.276 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.043 -5.916 0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.000 -5.188 -1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.491 -6.870 -1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.885 -6.135 -1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.335 -4.477 -1.661 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.179 -4.918 -3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.282 -6.654 -3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.905 -5.975 -5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.758 -6.537 -3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.873 -4.623 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.679 -4.000 -3.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.524 -3.820 -4.818 1.00 0.00 H new ATOM 311 N GLY A 20 -6.869 -6.653 1.257 1.00 0.00 N ATOM 312 CA GLY A 20 -5.992 -7.644 1.856 1.00 0.00 C ATOM 313 C GLY A 20 -6.355 -7.950 3.295 1.00 0.00 C ATOM 314 O GLY A 20 -6.508 -9.114 3.666 1.00 0.00 O ATOM 0 H GLY A 20 -6.399 -5.804 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.035 -8.563 1.271 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.963 -7.287 1.813 1.00 0.00 H new ATOM 318 N ALA A 21 -6.516 -6.902 4.097 1.00 0.00 N ATOM 319 CA ALA A 21 -6.868 -7.055 5.505 1.00 0.00 C ATOM 320 C ALA A 21 -8.180 -7.817 5.670 1.00 0.00 C ATOM 321 O ALA A 21 -8.292 -8.713 6.505 1.00 0.00 O ATOM 322 CB ALA A 21 -6.964 -5.693 6.179 1.00 0.00 C ATOM 0 H ALA A 21 -6.408 -5.934 3.794 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.079 -7.634 5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.227 -5.824 7.229 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.003 -5.183 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.730 -5.096 5.685 1.00 0.00 H new ATOM 328 N ASP A 22 -9.163 -7.460 4.857 1.00 0.00 N ATOM 329 CA ASP A 22 -10.476 -8.096 4.908 1.00 0.00 C ATOM 330 C ASP A 22 -10.434 -9.510 4.336 1.00 0.00 C ATOM 331 O ASP A 22 -11.115 -10.406 4.826 1.00 0.00 O ATOM 332 CB ASP A 22 -11.495 -7.245 4.148 1.00 0.00 C ATOM 333 CG ASP A 22 -12.748 -8.011 3.778 1.00 0.00 C ATOM 334 OD1 ASP A 22 -13.560 -8.312 4.673 1.00 0.00 O ATOM 335 OD2 ASP A 22 -12.936 -8.296 2.579 1.00 0.00 O ATOM 0 H ASP A 22 -9.078 -6.730 4.150 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.777 -8.171 5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.769 -6.385 4.759 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.032 -6.857 3.241 1.00 0.00 H new ATOM 340 N ARG A 23 -9.632 -9.721 3.308 1.00 0.00 N ATOM 341 CA ARG A 23 -9.524 -11.044 2.718 1.00 0.00 C ATOM 342 C ARG A 23 -8.856 -11.993 3.707 1.00 0.00 C ATOM 343 O ARG A 23 -9.219 -13.167 3.805 1.00 0.00 O ATOM 344 CB ARG A 23 -8.742 -11.001 1.407 1.00 0.00 C ATOM 345 CG ARG A 23 -9.307 -11.925 0.337 1.00 0.00 C ATOM 346 CD ARG A 23 -10.406 -11.250 -0.482 1.00 0.00 C ATOM 347 NE ARG A 23 -11.475 -10.668 0.341 1.00 0.00 N ATOM 348 CZ ARG A 23 -12.765 -10.657 -0.009 1.00 0.00 C ATOM 349 NH1 ARG A 23 -13.167 -11.276 -1.112 1.00 0.00 N ATOM 350 NH2 ARG A 23 -13.658 -10.034 0.750 1.00 0.00 N ATOM 0 H ARG A 23 -9.053 -9.005 2.869 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.527 -11.407 2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.737 -9.979 1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.705 -11.274 1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.504 -12.243 -0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.706 -12.823 0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.962 -10.466 -1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.840 -11.980 -1.165 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.217 -10.247 1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.490 -11.764 -1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.153 -11.264 -1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.361 -9.561 1.604 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.641 -10.028 0.480 1.00 0.00 H new ATOM 364 N TYR A 24 -7.891 -11.468 4.454 1.00 0.00 N ATOM 365 CA TYR A 24 -7.242 -12.230 5.508 1.00 0.00 C ATOM 366 C TYR A 24 -8.200 -12.444 6.674 1.00 0.00 C ATOM 367 O TYR A 24 -8.170 -13.486 7.322 1.00 0.00 O ATOM 368 CB TYR A 24 -5.972 -11.522 5.991 1.00 0.00 C ATOM 369 CG TYR A 24 -5.296 -12.220 7.155 1.00 0.00 C ATOM 370 CD1 TYR A 24 -4.547 -13.377 6.962 1.00 0.00 C ATOM 371 CD2 TYR A 24 -5.414 -11.728 8.450 1.00 0.00 C ATOM 372 CE1 TYR A 24 -3.939 -14.021 8.026 1.00 0.00 C ATOM 373 CE2 TYR A 24 -4.807 -12.365 9.516 1.00 0.00 C ATOM 374 CZ TYR A 24 -4.072 -13.511 9.298 1.00 0.00 C ATOM 375 OH TYR A 24 -3.474 -14.150 10.361 1.00 0.00 O ATOM 0 H TYR A 24 -7.542 -10.516 4.347 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.960 -13.201 5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.268 -11.450 5.162 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.223 -10.503 6.285 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.438 -13.779 5.966 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.990 -10.832 8.626 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.363 -14.919 7.859 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.908 -11.967 10.515 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.512 -14.231 10.195 1.00 0.00 H new ATOM 385 N GLN A 25 -9.057 -11.458 6.934 1.00 0.00 N ATOM 386 CA GLN A 25 -10.017 -11.557 8.028 1.00 0.00 C ATOM 387 C GLN A 25 -11.050 -12.649 7.731 1.00 0.00 C ATOM 388 O GLN A 25 -11.660 -13.209 8.643 1.00 0.00 O ATOM 389 CB GLN A 25 -10.684 -10.199 8.319 1.00 0.00 C ATOM 390 CG GLN A 25 -11.982 -9.932 7.576 1.00 0.00 C ATOM 391 CD GLN A 25 -12.725 -8.744 8.151 1.00 0.00 C ATOM 392 OE1 GLN A 25 -12.659 -8.481 9.353 1.00 0.00 O ATOM 393 NE2 GLN A 25 -13.431 -8.013 7.308 1.00 0.00 N ATOM 0 H GLN A 25 -9.105 -10.587 6.405 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.479 -11.841 8.933 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.879 -10.132 9.389 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.976 -9.407 8.074 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.767 -9.751 6.523 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.617 -10.816 7.625 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.462 -8.262 6.319 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.945 -7.199 7.645 1.00 0.00 H new ATOM 635 N LYS A 41 1.291 -14.113 -8.157 1.00 0.00 N ATOM 636 CA LYS A 41 1.990 -13.629 -9.347 1.00 0.00 C ATOM 637 C LYS A 41 1.514 -12.227 -9.760 1.00 0.00 C ATOM 638 O LYS A 41 2.312 -11.291 -9.758 1.00 0.00 O ATOM 639 CB LYS A 41 1.847 -14.613 -10.524 1.00 0.00 C ATOM 640 CG LYS A 41 2.877 -15.737 -10.547 1.00 0.00 C ATOM 641 CD LYS A 41 4.255 -15.245 -10.977 1.00 0.00 C ATOM 642 CE LYS A 41 5.010 -14.569 -9.842 1.00 0.00 C ATOM 643 NZ LYS A 41 6.261 -13.930 -10.321 1.00 0.00 N ATOM 0 HA LYS A 41 3.046 -13.560 -9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.850 -15.053 -10.492 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.919 -14.054 -11.457 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.946 -16.185 -9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.543 -16.520 -11.228 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.839 -16.087 -11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.146 -14.544 -11.805 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.372 -13.817 -9.377 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.248 -15.305 -9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.791 -13.553 -9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.843 -14.635 -10.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.027 -13.154 -10.972 1.00 0.00 H new ATOM 657 N PRO A 42 0.213 -12.041 -10.096 1.00 0.00 N ATOM 658 CA PRO A 42 -0.282 -10.763 -10.632 1.00 0.00 C ATOM 659 C PRO A 42 0.002 -9.576 -9.714 1.00 0.00 C ATOM 660 O PRO A 42 0.531 -8.553 -10.157 1.00 0.00 O ATOM 661 CB PRO A 42 -1.792 -10.980 -10.768 1.00 0.00 C ATOM 662 CG PRO A 42 -1.956 -12.455 -10.852 1.00 0.00 C ATOM 663 CD PRO A 42 -0.876 -13.033 -9.986 1.00 0.00 C ATOM 0 HA PRO A 42 0.214 -10.514 -11.570 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.329 -10.570 -9.913 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.184 -10.487 -11.657 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.943 -12.760 -10.503 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.860 -12.802 -11.881 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.208 -13.153 -8.955 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.562 -14.016 -10.337 1.00 0.00 H new ATOM 671 N ALA A 43 -0.344 -9.717 -8.441 1.00 0.00 N ATOM 672 CA ALA A 43 -0.156 -8.644 -7.473 1.00 0.00 C ATOM 673 C ALA A 43 1.323 -8.384 -7.208 1.00 0.00 C ATOM 674 O ALA A 43 1.733 -7.241 -7.036 1.00 0.00 O ATOM 675 CB ALA A 43 -0.872 -8.971 -6.172 1.00 0.00 C ATOM 0 H ALA A 43 -0.757 -10.566 -8.054 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.586 -7.737 -7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.722 -8.160 -5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.938 -9.092 -6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.470 -9.896 -5.758 1.00 0.00 H new ATOM 681 N VAL A 44 2.119 -9.448 -7.208 1.00 0.00 N ATOM 682 CA VAL A 44 3.541 -9.347 -6.881 1.00 0.00 C ATOM 683 C VAL A 44 4.261 -8.393 -7.833 1.00 0.00 C ATOM 684 O VAL A 44 4.908 -7.439 -7.397 1.00 0.00 O ATOM 685 CB VAL A 44 4.232 -10.729 -6.922 1.00 0.00 C ATOM 686 CG1 VAL A 44 5.682 -10.629 -6.465 1.00 0.00 C ATOM 687 CG2 VAL A 44 3.470 -11.736 -6.074 1.00 0.00 C ATOM 0 H VAL A 44 1.805 -10.393 -7.431 1.00 0.00 H new ATOM 0 HA VAL A 44 3.604 -8.953 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 44 4.228 -11.077 -7.955 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.144 -11.615 -6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.224 -9.948 -7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.716 -10.252 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.973 -12.702 -6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.436 -11.390 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.454 -11.839 -6.456 1.00 0.00 H new ATOM 697 N GLU A 45 4.137 -8.647 -9.130 1.00 0.00 N ATOM 698 CA GLU A 45 4.770 -7.809 -10.137 1.00 0.00 C ATOM 699 C GLU A 45 4.181 -6.398 -10.147 1.00 0.00 C ATOM 700 O GLU A 45 4.902 -5.416 -10.316 1.00 0.00 O ATOM 701 CB GLU A 45 4.631 -8.451 -11.518 1.00 0.00 C ATOM 702 CG GLU A 45 5.682 -9.511 -11.819 1.00 0.00 C ATOM 703 CD GLU A 45 5.642 -10.695 -10.875 1.00 0.00 C ATOM 704 OE1 GLU A 45 6.236 -10.611 -9.782 1.00 0.00 O ATOM 705 OE2 GLU A 45 5.033 -11.722 -11.232 1.00 0.00 O ATOM 0 H GLU A 45 3.602 -9.429 -9.508 1.00 0.00 H new ATOM 0 HA GLU A 45 5.827 -7.724 -9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.642 -8.902 -11.599 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.689 -7.671 -12.277 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.544 -9.867 -12.840 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.670 -9.054 -11.772 1.00 0.00 H new ATOM 712 N GLU A 46 2.872 -6.305 -9.949 1.00 0.00 N ATOM 713 CA GLU A 46 2.181 -5.021 -9.975 1.00 0.00 C ATOM 714 C GLU A 46 2.631 -4.134 -8.837 1.00 0.00 C ATOM 715 O GLU A 46 3.183 -3.054 -9.039 1.00 0.00 O ATOM 716 CB GLU A 46 0.689 -5.237 -9.815 1.00 0.00 C ATOM 717 CG GLU A 46 -0.136 -3.972 -9.968 1.00 0.00 C ATOM 718 CD GLU A 46 -1.594 -4.200 -9.647 1.00 0.00 C ATOM 719 OE1 GLU A 46 -1.956 -4.173 -8.454 1.00 0.00 O ATOM 720 OE2 GLU A 46 -2.386 -4.416 -10.586 1.00 0.00 O ATOM 0 H GLU A 46 2.266 -7.105 -9.768 1.00 0.00 H new ATOM 0 HA GLU A 46 2.412 -4.546 -10.929 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.356 -5.967 -10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.498 -5.667 -8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.262 -3.199 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.044 -3.601 -10.989 1.00 0.00 H new ATOM 727 N ASN A 47 2.390 -4.627 -7.640 1.00 0.00 N ATOM 728 CA ASN A 47 2.608 -3.861 -6.420 1.00 0.00 C ATOM 729 C ASN A 47 4.072 -3.484 -6.231 1.00 0.00 C ATOM 730 O ASN A 47 4.368 -2.430 -5.670 1.00 0.00 O ATOM 731 CB ASN A 47 2.094 -4.634 -5.202 1.00 0.00 C ATOM 732 CG ASN A 47 0.583 -4.819 -5.221 1.00 0.00 C ATOM 733 OD1 ASN A 47 0.061 -5.813 -4.721 1.00 0.00 O ATOM 734 ND2 ASN A 47 -0.130 -3.863 -5.799 1.00 0.00 N ATOM 0 H ASN A 47 2.037 -5.571 -7.480 1.00 0.00 H new ATOM 0 HA ASN A 47 2.044 -2.933 -6.517 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.576 -5.611 -5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.380 -4.105 -4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.146 -3.938 -5.839 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.338 -3.052 -6.204 1.00 0.00 H new ATOM 741 N ASP A 48 4.985 -4.325 -6.711 1.00 0.00 N ATOM 742 CA ASP A 48 6.413 -4.040 -6.579 1.00 0.00 C ATOM 743 C ASP A 48 6.788 -2.787 -7.372 1.00 0.00 C ATOM 744 O ASP A 48 7.492 -1.909 -6.866 1.00 0.00 O ATOM 745 CB ASP A 48 7.254 -5.230 -7.043 1.00 0.00 C ATOM 746 CG ASP A 48 8.739 -5.010 -6.819 1.00 0.00 C ATOM 747 OD1 ASP A 48 9.174 -4.997 -5.648 1.00 0.00 O ATOM 748 OD2 ASP A 48 9.482 -4.871 -7.812 1.00 0.00 O ATOM 0 H ASP A 48 4.767 -5.199 -7.189 1.00 0.00 H new ATOM 0 HA ASP A 48 6.623 -3.862 -5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.937 -6.126 -6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.072 -5.410 -8.103 1.00 0.00 H new ATOM 753 N GLU A 49 6.308 -2.705 -8.610 1.00 0.00 N ATOM 754 CA GLU A 49 6.541 -1.529 -9.443 1.00 0.00 C ATOM 755 C GLU A 49 5.687 -0.360 -8.968 1.00 0.00 C ATOM 756 O GLU A 49 6.130 0.791 -8.961 1.00 0.00 O ATOM 757 CB GLU A 49 6.228 -1.835 -10.909 1.00 0.00 C ATOM 758 CG GLU A 49 7.148 -2.870 -11.528 1.00 0.00 C ATOM 759 CD GLU A 49 6.897 -3.044 -13.010 1.00 0.00 C ATOM 760 OE1 GLU A 49 6.970 -2.042 -13.752 1.00 0.00 O ATOM 761 OE2 GLU A 49 6.621 -4.182 -13.446 1.00 0.00 O ATOM 0 H GLU A 49 5.757 -3.437 -9.058 1.00 0.00 H new ATOM 0 HA GLU A 49 7.593 -1.258 -9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.199 -2.185 -10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.294 -0.912 -11.485 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.185 -2.573 -11.369 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.009 -3.826 -11.023 1.00 0.00 H new ATOM 768 N LEU A 50 4.462 -0.674 -8.563 1.00 0.00 N ATOM 769 CA LEU A 50 3.507 0.326 -8.100 1.00 0.00 C ATOM 770 C LEU A 50 4.069 1.100 -6.916 1.00 0.00 C ATOM 771 O LEU A 50 4.115 2.326 -6.931 1.00 0.00 O ATOM 772 CB LEU A 50 2.204 -0.359 -7.683 1.00 0.00 C ATOM 773 CG LEU A 50 0.972 0.541 -7.637 1.00 0.00 C ATOM 774 CD1 LEU A 50 0.548 0.918 -9.045 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.164 -0.153 -6.905 1.00 0.00 C ATOM 0 H LEU A 50 4.103 -1.629 -8.546 1.00 0.00 H new ATOM 0 HA LEU A 50 3.315 1.022 -8.916 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.008 -1.178 -8.374 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.346 -0.801 -6.697 1.00 0.00 H new ATOM 0 HG LEU A 50 1.223 1.452 -7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.332 1.560 -9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.361 1.450 -9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.310 0.015 -9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.035 0.502 -6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.419 -1.078 -7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.146 -0.382 -5.885 1.00 0.00 H new ATOM 787 N ALA A 51 4.504 0.368 -5.899 1.00 0.00 N ATOM 788 CA ALA A 51 5.035 0.975 -4.685 1.00 0.00 C ATOM 789 C ALA A 51 6.324 1.738 -4.966 1.00 0.00 C ATOM 790 O ALA A 51 6.624 2.730 -4.304 1.00 0.00 O ATOM 791 CB ALA A 51 5.263 -0.086 -3.620 1.00 0.00 C ATOM 0 H ALA A 51 4.499 -0.652 -5.891 1.00 0.00 H new ATOM 0 HA ALA A 51 4.300 1.690 -4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.660 0.382 -2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.318 -0.577 -3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.975 -0.825 -3.989 1.00 0.00 H new ATOM 797 N ALA A 52 7.079 1.279 -5.959 1.00 0.00 N ATOM 798 CA ALA A 52 8.315 1.944 -6.353 1.00 0.00 C ATOM 799 C ALA A 52 8.021 3.335 -6.898 1.00 0.00 C ATOM 800 O ALA A 52 8.576 4.331 -6.432 1.00 0.00 O ATOM 801 CB ALA A 52 9.060 1.117 -7.389 1.00 0.00 C ATOM 0 H ALA A 52 6.856 0.448 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 52 8.947 2.043 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.980 1.630 -7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.303 0.141 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.432 0.987 -8.271 1.00 0.00 H new ATOM 807 N ARG A 53 7.130 3.389 -7.880 1.00 0.00 N ATOM 808 CA ARG A 53 6.736 4.640 -8.490 1.00 0.00 C ATOM 809 C ARG A 53 5.924 5.494 -7.525 1.00 0.00 C ATOM 810 O ARG A 53 5.968 6.724 -7.586 1.00 0.00 O ATOM 811 CB ARG A 53 5.954 4.365 -9.768 1.00 0.00 C ATOM 812 CG ARG A 53 6.654 4.910 -10.995 1.00 0.00 C ATOM 813 CD ARG A 53 5.813 4.767 -12.247 1.00 0.00 C ATOM 814 NE ARG A 53 6.542 5.198 -13.439 1.00 0.00 N ATOM 815 CZ ARG A 53 6.377 4.660 -14.645 1.00 0.00 C ATOM 816 NH1 ARG A 53 5.448 3.732 -14.841 1.00 0.00 N ATOM 817 NH2 ARG A 53 7.121 5.076 -15.661 1.00 0.00 N ATOM 0 H ARG A 53 6.666 2.569 -8.270 1.00 0.00 H new ATOM 0 HA ARG A 53 7.635 5.203 -8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.811 3.290 -9.880 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.963 4.812 -9.689 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.892 5.962 -10.838 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.600 4.387 -11.134 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.507 3.727 -12.363 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.903 5.357 -12.144 1.00 0.00 H new ATOM 0 HE ARG A 53 7.217 5.956 -13.340 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.858 3.429 -14.066 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.324 3.322 -15.767 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.818 5.807 -15.517 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.996 4.665 -16.586 1.00 0.00 H new ATOM 831 N TRP A 54 5.187 4.839 -6.636 1.00 0.00 N ATOM 832 CA TRP A 54 4.444 5.541 -5.601 1.00 0.00 C ATOM 833 C TRP A 54 5.400 6.325 -4.708 1.00 0.00 C ATOM 834 O TRP A 54 5.179 7.504 -4.427 1.00 0.00 O ATOM 835 CB TRP A 54 3.633 4.554 -4.759 1.00 0.00 C ATOM 836 CG TRP A 54 2.846 5.212 -3.669 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.641 5.835 -3.799 1.00 0.00 C ATOM 838 CD2 TRP A 54 3.210 5.319 -2.288 1.00 0.00 C ATOM 839 NE1 TRP A 54 1.230 6.324 -2.585 1.00 0.00 N ATOM 840 CE2 TRP A 54 2.176 6.022 -1.639 1.00 0.00 C ATOM 841 CE3 TRP A 54 4.305 4.891 -1.534 1.00 0.00 C ATOM 842 CZ2 TRP A 54 2.209 6.308 -0.278 1.00 0.00 C ATOM 843 CZ3 TRP A 54 4.337 5.174 -0.182 1.00 0.00 C ATOM 844 CH2 TRP A 54 3.295 5.877 0.434 1.00 0.00 C ATOM 0 H TRP A 54 5.089 3.824 -6.612 1.00 0.00 H new ATOM 0 HA TRP A 54 3.756 6.236 -6.082 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.951 4.006 -5.410 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.310 3.822 -4.318 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.090 5.930 -4.723 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.361 6.830 -2.414 1.00 0.00 H new ATOM 0 HE3 TRP A 54 5.114 4.348 -2.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.406 6.851 0.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 5.180 4.847 0.409 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.349 6.083 1.493 1.00 0.00 H new ATOM 855 N ALA A 55 6.467 5.657 -4.275 1.00 0.00 N ATOM 856 CA ALA A 55 7.486 6.286 -3.448 1.00 0.00 C ATOM 857 C ALA A 55 8.095 7.487 -4.161 1.00 0.00 C ATOM 858 O ALA A 55 8.228 8.559 -3.576 1.00 0.00 O ATOM 859 CB ALA A 55 8.567 5.282 -3.080 1.00 0.00 C ATOM 0 H ALA A 55 6.646 4.675 -4.486 1.00 0.00 H new ATOM 0 HA ALA A 55 7.012 6.637 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.321 5.769 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.122 4.455 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.034 4.901 -3.988 1.00 0.00 H new ATOM 865 N GLU A 56 8.435 7.302 -5.435 1.00 0.00 N ATOM 866 CA GLU A 56 9.002 8.331 -6.253 1.00 0.00 C ATOM 867 C GLU A 56 8.058 9.528 -6.359 1.00 0.00 C ATOM 868 O GLU A 56 8.486 10.684 -6.277 1.00 0.00 O ATOM 869 CB GLU A 56 9.273 7.721 -7.619 1.00 0.00 C ATOM 870 CG GLU A 56 9.757 8.722 -8.614 1.00 0.00 C ATOM 871 CD GLU A 56 10.251 8.093 -9.897 1.00 0.00 C ATOM 872 OE1 GLU A 56 9.423 7.810 -10.789 1.00 0.00 O ATOM 873 OE2 GLU A 56 11.475 7.873 -10.017 1.00 0.00 O ATOM 0 H GLU A 56 8.316 6.413 -5.920 1.00 0.00 H new ATOM 0 HA GLU A 56 9.927 8.704 -5.814 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.015 6.929 -7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.360 7.257 -7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.949 9.416 -8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.562 9.307 -8.170 1.00 0.00 H new ATOM 880 N GLY A 57 6.772 9.242 -6.537 1.00 0.00 N ATOM 881 CA GLY A 57 5.775 10.294 -6.611 1.00 0.00 C ATOM 882 C GLY A 57 5.640 11.050 -5.303 1.00 0.00 C ATOM 883 O GLY A 57 5.596 12.279 -5.294 1.00 0.00 O ATOM 0 H GLY A 57 6.402 8.296 -6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.043 10.991 -7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.811 9.861 -6.879 1.00 0.00 H new ATOM 887 N ALA A 58 5.586 10.313 -4.197 1.00 0.00 N ATOM 888 CA ALA A 58 5.474 10.919 -2.874 1.00 0.00 C ATOM 889 C ALA A 58 6.705 11.766 -2.565 1.00 0.00 C ATOM 890 O ALA A 58 6.594 12.873 -2.038 1.00 0.00 O ATOM 891 CB ALA A 58 5.276 9.845 -1.813 1.00 0.00 C ATOM 0 H ALA A 58 5.618 9.294 -4.191 1.00 0.00 H new ATOM 0 HA ALA A 58 4.602 11.573 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.194 10.313 -0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.364 9.287 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.128 9.165 -1.820 1.00 0.00 H new ATOM 897 N LEU A 59 7.877 11.245 -2.919 1.00 0.00 N ATOM 898 CA LEU A 59 9.122 11.956 -2.732 1.00 0.00 C ATOM 899 C LEU A 59 9.121 13.267 -3.505 1.00 0.00 C ATOM 900 O LEU A 59 9.585 14.287 -3.008 1.00 0.00 O ATOM 901 CB LEU A 59 10.283 11.077 -3.186 1.00 0.00 C ATOM 902 CG LEU A 59 10.617 9.896 -2.267 1.00 0.00 C ATOM 903 CD1 LEU A 59 11.730 9.051 -2.868 1.00 0.00 C ATOM 904 CD2 LEU A 59 11.016 10.392 -0.886 1.00 0.00 C ATOM 0 H LEU A 59 7.982 10.322 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 59 9.236 12.190 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.055 10.689 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.171 11.701 -3.284 1.00 0.00 H new ATOM 0 HG LEU A 59 9.726 9.275 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.954 8.217 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.412 8.666 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.623 9.663 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.250 9.540 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.893 11.034 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.192 10.957 -0.450 1.00 0.00 H new ATOM 916 N GLU A 60 8.584 13.231 -4.718 1.00 0.00 N ATOM 917 CA GLU A 60 8.491 14.423 -5.553 1.00 0.00 C ATOM 918 C GLU A 60 7.747 15.538 -4.816 1.00 0.00 C ATOM 919 O GLU A 60 8.185 16.682 -4.797 1.00 0.00 O ATOM 920 CB GLU A 60 7.776 14.091 -6.865 1.00 0.00 C ATOM 921 CG GLU A 60 7.756 15.233 -7.872 1.00 0.00 C ATOM 922 CD GLU A 60 9.128 15.533 -8.447 1.00 0.00 C ATOM 923 OE1 GLU A 60 9.625 14.729 -9.266 1.00 0.00 O ATOM 924 OE2 GLU A 60 9.716 16.576 -8.098 1.00 0.00 O ATOM 0 H GLU A 60 8.205 12.387 -5.147 1.00 0.00 H new ATOM 0 HA GLU A 60 9.500 14.769 -5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.261 13.228 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.749 13.800 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.073 14.983 -8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.365 16.129 -7.391 1.00 0.00 H new ATOM 931 N LEU A 61 6.639 15.189 -4.181 1.00 0.00 N ATOM 932 CA LEU A 61 5.819 16.177 -3.485 1.00 0.00 C ATOM 933 C LEU A 61 6.555 16.802 -2.301 1.00 0.00 C ATOM 934 O LEU A 61 6.470 18.013 -2.084 1.00 0.00 O ATOM 935 CB LEU A 61 4.504 15.556 -3.007 1.00 0.00 C ATOM 936 CG LEU A 61 3.348 15.588 -4.016 1.00 0.00 C ATOM 937 CD1 LEU A 61 2.990 17.022 -4.375 1.00 0.00 C ATOM 938 CD2 LEU A 61 3.695 14.795 -5.267 1.00 0.00 C ATOM 0 H LEU A 61 6.285 14.234 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 61 5.603 16.968 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.693 14.519 -2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.187 16.074 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 61 2.480 15.122 -3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.168 17.023 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.688 17.558 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.857 17.514 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.859 14.834 -5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.580 15.224 -5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.894 13.758 -4.997 1.00 0.00 H new ATOM 950 N ILE A 62 7.289 15.989 -1.549 1.00 0.00 N ATOM 951 CA ILE A 62 7.922 16.470 -0.324 1.00 0.00 C ATOM 952 C ILE A 62 9.087 17.423 -0.614 1.00 0.00 C ATOM 953 O ILE A 62 9.309 18.377 0.135 1.00 0.00 O ATOM 954 CB ILE A 62 8.401 15.312 0.589 1.00 0.00 C ATOM 955 CG1 ILE A 62 9.594 14.572 -0.024 1.00 0.00 C ATOM 956 CG2 ILE A 62 7.253 14.341 0.851 1.00 0.00 C ATOM 957 CD1 ILE A 62 10.181 13.513 0.884 1.00 0.00 C ATOM 0 H ILE A 62 7.460 15.006 -1.761 1.00 0.00 H new ATOM 0 HA ILE A 62 7.149 17.023 0.210 1.00 0.00 H new ATOM 0 HB ILE A 62 8.728 15.743 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.281 14.105 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.370 15.295 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.600 13.532 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.435 14.868 1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.902 13.928 -0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.021 13.031 0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.526 13.977 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.419 12.768 1.114 1.00 0.00 H new ATOM 969 N LYS A 63 9.831 17.174 -1.690 1.00 0.00 N ATOM 970 CA LYS A 63 10.950 18.045 -2.050 1.00 0.00 C ATOM 971 C LYS A 63 10.491 19.273 -2.839 1.00 0.00 C ATOM 972 O LYS A 63 11.211 20.267 -2.912 1.00 0.00 O ATOM 973 CB LYS A 63 12.069 17.277 -2.784 1.00 0.00 C ATOM 974 CG LYS A 63 11.598 16.274 -3.829 1.00 0.00 C ATOM 975 CD LYS A 63 11.162 16.936 -5.122 1.00 0.00 C ATOM 976 CE LYS A 63 12.348 17.392 -5.949 1.00 0.00 C ATOM 977 NZ LYS A 63 11.923 17.858 -7.290 1.00 0.00 N ATOM 0 H LYS A 63 9.683 16.387 -2.321 1.00 0.00 H new ATOM 0 HA LYS A 63 11.376 18.409 -1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.724 18.000 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.670 16.749 -2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.403 15.570 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.767 15.696 -3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.561 16.237 -5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.526 17.792 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.868 18.197 -5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.057 16.571 -6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.755 17.937 -7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.251 17.177 -7.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.465 18.788 -7.205 1.00 0.00 H new ATOM 991 N VAL A 64 9.303 19.205 -3.438 1.00 0.00 N ATOM 992 CA VAL A 64 8.735 20.371 -4.112 1.00 0.00 C ATOM 993 C VAL A 64 8.140 21.340 -3.092 1.00 0.00 C ATOM 994 O VAL A 64 8.425 22.540 -3.123 1.00 0.00 O ATOM 995 CB VAL A 64 7.661 19.980 -5.155 1.00 0.00 C ATOM 996 CG1 VAL A 64 6.905 21.206 -5.649 1.00 0.00 C ATOM 997 CG2 VAL A 64 8.302 19.259 -6.327 1.00 0.00 C ATOM 0 H VAL A 64 8.722 18.367 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 64 9.550 20.859 -4.646 1.00 0.00 H new ATOM 0 HB VAL A 64 6.950 19.311 -4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.157 20.902 -6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.412 21.693 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.604 21.902 -6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.534 18.990 -7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.035 19.913 -6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.798 18.356 -5.971 1.00 0.00 H new ATOM 1007 N ARG A 65 7.315 20.820 -2.190 1.00 0.00 N ATOM 1008 CA ARG A 65 6.759 21.637 -1.121 1.00 0.00 C ATOM 1009 C ARG A 65 7.411 21.298 0.210 1.00 0.00 C ATOM 1010 O ARG A 65 8.518 21.745 0.498 1.00 0.00 O ATOM 1011 CB ARG A 65 5.242 21.470 -0.994 1.00 0.00 C ATOM 1012 CG ARG A 65 4.439 22.091 -2.120 1.00 0.00 C ATOM 1013 CD ARG A 65 3.005 22.333 -1.676 1.00 0.00 C ATOM 1014 NE ARG A 65 2.181 22.963 -2.706 1.00 0.00 N ATOM 1015 CZ ARG A 65 2.354 24.201 -3.165 1.00 0.00 C ATOM 1016 NH1 ARG A 65 3.374 24.948 -2.747 1.00 0.00 N ATOM 1017 NH2 ARG A 65 1.487 24.693 -4.037 1.00 0.00 N ATOM 0 H ARG A 65 7.019 19.844 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 65 6.968 22.675 -1.381 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.010 20.406 -0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.920 21.910 -0.050 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.896 23.032 -2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.451 21.434 -2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.555 21.382 -1.391 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.008 22.963 -0.787 1.00 0.00 H new ATOM 0 HE ARG A 65 1.418 22.414 -3.102 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.035 24.574 -2.067 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.494 25.895 -3.107 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.699 24.125 -4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.607 25.640 -4.397 1.00 0.00 H new ATOM 1031 N ARG A 66 6.715 20.483 0.998 1.00 0.00 N ATOM 1032 CA ARG A 66 7.162 20.074 2.323 1.00 0.00 C ATOM 1033 C ARG A 66 6.061 19.216 2.946 1.00 0.00 C ATOM 1034 O ARG A 66 4.889 19.596 2.895 1.00 0.00 O ATOM 1035 CB ARG A 66 7.435 21.298 3.210 1.00 0.00 C ATOM 1036 CG ARG A 66 8.401 21.032 4.355 1.00 0.00 C ATOM 1037 CD ARG A 66 9.840 21.350 3.964 1.00 0.00 C ATOM 1038 NE ARG A 66 10.300 20.575 2.810 1.00 0.00 N ATOM 1039 CZ ARG A 66 11.199 21.010 1.926 1.00 0.00 C ATOM 1040 NH1 ARG A 66 11.761 22.209 2.073 1.00 0.00 N ATOM 1041 NH2 ARG A 66 11.542 20.237 0.899 1.00 0.00 N ATOM 0 H ARG A 66 5.815 20.085 0.730 1.00 0.00 H new ATOM 0 HA ARG A 66 8.091 19.509 2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.835 22.100 2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.490 21.654 3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.117 21.634 5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.328 19.987 4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.924 22.413 3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.494 21.152 4.813 1.00 0.00 H new ATOM 0 HE ARG A 66 9.908 19.643 2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.504 22.799 2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.448 22.537 1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.118 19.316 0.790 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.229 20.566 0.221 1.00 0.00 H new ATOM 1055 N PRO A 67 6.408 18.055 3.520 1.00 0.00 N ATOM 1056 CA PRO A 67 5.416 17.099 4.040 1.00 0.00 C ATOM 1057 C PRO A 67 4.629 17.643 5.231 1.00 0.00 C ATOM 1058 O PRO A 67 5.207 18.193 6.170 1.00 0.00 O ATOM 1059 CB PRO A 67 6.260 15.895 4.480 1.00 0.00 C ATOM 1060 CG PRO A 67 7.610 16.098 3.881 1.00 0.00 C ATOM 1061 CD PRO A 67 7.783 17.578 3.720 1.00 0.00 C ATOM 0 HA PRO A 67 4.666 16.865 3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.320 15.837 5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.817 14.961 4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.387 15.684 4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.689 15.591 2.919 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.242 18.028 4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.421 17.819 2.870 1.00 0.00 H new ATOM 1069 N LYS A 68 3.309 17.494 5.184 1.00 0.00 N ATOM 1070 CA LYS A 68 2.460 17.900 6.296 1.00 0.00 C ATOM 1071 C LYS A 68 2.092 16.702 7.161 1.00 0.00 C ATOM 1072 O LYS A 68 2.248 16.730 8.382 1.00 0.00 O ATOM 1073 CB LYS A 68 1.183 18.573 5.792 1.00 0.00 C ATOM 1074 CG LYS A 68 1.424 19.873 5.049 1.00 0.00 C ATOM 1075 CD LYS A 68 0.117 20.580 4.733 1.00 0.00 C ATOM 1076 CE LYS A 68 0.364 21.931 4.085 1.00 0.00 C ATOM 1077 NZ LYS A 68 1.120 22.852 4.979 1.00 0.00 N ATOM 0 H LYS A 68 2.806 17.096 4.390 1.00 0.00 H new ATOM 0 HA LYS A 68 3.024 18.614 6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.656 17.882 5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.527 18.767 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.057 20.526 5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.963 19.671 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.483 19.959 4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.458 20.713 5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.918 21.791 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.591 22.386 3.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.021 23.829 4.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.743 22.785 5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.126 22.586 4.981 1.00 0.00 H new ATOM 1091 N TYR A 69 1.601 15.650 6.524 1.00 0.00 N ATOM 1092 CA TYR A 69 1.174 14.458 7.239 1.00 0.00 C ATOM 1093 C TYR A 69 2.238 13.374 7.144 1.00 0.00 C ATOM 1094 O TYR A 69 2.690 12.839 8.158 1.00 0.00 O ATOM 1095 CB TYR A 69 -0.142 13.919 6.672 1.00 0.00 C ATOM 1096 CG TYR A 69 -1.341 14.827 6.840 1.00 0.00 C ATOM 1097 CD1 TYR A 69 -1.551 15.898 5.982 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -2.281 14.592 7.836 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -2.659 16.712 6.113 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -3.397 15.397 7.967 1.00 0.00 C ATOM 1101 CZ TYR A 69 -3.579 16.458 7.103 1.00 0.00 C ATOM 1102 OH TYR A 69 -4.695 17.258 7.219 1.00 0.00 O ATOM 0 H TYR A 69 1.488 15.598 5.512 1.00 0.00 H new ATOM 0 HA TYR A 69 1.024 14.734 8.283 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.005 13.719 5.609 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.360 12.964 7.151 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.835 16.098 5.198 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.137 13.767 8.519 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.802 17.545 5.441 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.123 15.197 8.741 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.245 16.945 7.967 1.00 0.00 H new ATOM 1112 N VAL A 70 2.650 13.077 5.918 1.00 0.00 N ATOM 1113 CA VAL A 70 3.569 11.974 5.657 1.00 0.00 C ATOM 1114 C VAL A 70 5.003 12.320 6.079 1.00 0.00 C ATOM 1115 O VAL A 70 5.332 13.484 6.313 1.00 0.00 O ATOM 1116 CB VAL A 70 3.532 11.579 4.158 1.00 0.00 C ATOM 1117 CG1 VAL A 70 4.172 12.656 3.292 1.00 0.00 C ATOM 1118 CG2 VAL A 70 4.190 10.226 3.922 1.00 0.00 C ATOM 0 H VAL A 70 2.361 13.587 5.084 1.00 0.00 H new ATOM 0 HA VAL A 70 3.241 11.125 6.256 1.00 0.00 H new ATOM 0 HB VAL A 70 2.485 11.491 3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.132 12.353 2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.631 13.594 3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.211 12.793 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.146 9.980 2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.231 10.267 4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.664 9.461 4.493 1.00 0.00 H new ATOM 1128 N HIS A 71 5.843 11.299 6.197 1.00 0.00 N ATOM 1129 CA HIS A 71 7.250 11.487 6.524 1.00 0.00 C ATOM 1130 C HIS A 71 8.082 10.594 5.609 1.00 0.00 C ATOM 1131 O HIS A 71 7.641 9.498 5.266 1.00 0.00 O ATOM 1132 CB HIS A 71 7.492 11.133 7.998 1.00 0.00 C ATOM 1133 CG HIS A 71 8.714 11.767 8.591 1.00 0.00 C ATOM 1134 ND1 HIS A 71 8.706 13.022 9.156 1.00 0.00 N ATOM 1135 CD2 HIS A 71 9.983 11.310 8.715 1.00 0.00 C ATOM 1136 CE1 HIS A 71 9.915 13.311 9.602 1.00 0.00 C ATOM 1137 NE2 HIS A 71 10.708 12.288 9.349 1.00 0.00 N ATOM 0 H HIS A 71 5.570 10.324 6.070 1.00 0.00 H new ATOM 0 HA HIS A 71 7.539 12.527 6.374 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.621 11.435 8.580 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.577 10.050 8.090 1.00 0.00 H new ATOM 0 HD2 HIS A 71 10.355 10.354 8.378 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.205 14.229 10.091 1.00 0.00 H new ATOM 0 HE2 HIS A 71 11.699 12.233 9.586 1.00 0.00 H new ATOM 1146 N LYS A 72 9.267 11.059 5.204 1.00 0.00 N ATOM 1147 CA LYS A 72 10.097 10.313 4.250 1.00 0.00 C ATOM 1148 C LYS A 72 10.363 8.887 4.732 1.00 0.00 C ATOM 1149 O LYS A 72 10.285 7.937 3.950 1.00 0.00 O ATOM 1150 CB LYS A 72 11.431 11.027 3.988 1.00 0.00 C ATOM 1151 CG LYS A 72 12.286 11.241 5.231 1.00 0.00 C ATOM 1152 CD LYS A 72 13.742 11.504 4.876 1.00 0.00 C ATOM 1153 CE LYS A 72 14.363 10.307 4.169 1.00 0.00 C ATOM 1154 NZ LYS A 72 15.830 10.457 3.990 1.00 0.00 N ATOM 0 H LYS A 72 9.672 11.941 5.518 1.00 0.00 H new ATOM 0 HA LYS A 72 9.536 10.266 3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.003 10.447 3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.227 11.995 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.893 12.082 5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.221 10.362 5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.809 12.383 4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.305 11.726 5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.160 9.403 4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.892 10.178 3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.208 9.618 3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.025 11.305 3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.285 10.553 4.920 1.00 0.00 H new ATOM 1168 N GLU A 73 10.655 8.748 6.021 1.00 0.00 N ATOM 1169 CA GLU A 73 10.921 7.449 6.626 1.00 0.00 C ATOM 1170 C GLU A 73 9.744 6.502 6.427 1.00 0.00 C ATOM 1171 O GLU A 73 9.923 5.328 6.102 1.00 0.00 O ATOM 1172 CB GLU A 73 11.202 7.631 8.114 1.00 0.00 C ATOM 1173 CG GLU A 73 11.459 6.337 8.865 1.00 0.00 C ATOM 1174 CD GLU A 73 11.812 6.587 10.312 1.00 0.00 C ATOM 1175 OE1 GLU A 73 10.886 6.694 11.143 1.00 0.00 O ATOM 1176 OE2 GLU A 73 13.017 6.695 10.619 1.00 0.00 O ATOM 0 H GLU A 73 10.714 9.530 6.673 1.00 0.00 H new ATOM 0 HA GLU A 73 11.792 7.009 6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.067 8.283 8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.354 8.141 8.572 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.573 5.704 8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.270 5.792 8.382 1.00 0.00 H new ATOM 1183 N GLN A 74 8.540 7.031 6.603 1.00 0.00 N ATOM 1184 CA GLN A 74 7.329 6.244 6.457 1.00 0.00 C ATOM 1185 C GLN A 74 7.145 5.784 5.018 1.00 0.00 C ATOM 1186 O GLN A 74 6.710 4.665 4.773 1.00 0.00 O ATOM 1187 CB GLN A 74 6.119 7.053 6.925 1.00 0.00 C ATOM 1188 CG GLN A 74 6.010 7.169 8.440 1.00 0.00 C ATOM 1189 CD GLN A 74 5.766 5.832 9.126 1.00 0.00 C ATOM 1190 OE1 GLN A 74 6.195 4.778 8.656 1.00 0.00 O ATOM 1191 NE2 GLN A 74 5.078 5.868 10.256 1.00 0.00 N ATOM 0 H GLN A 74 8.379 8.008 6.848 1.00 0.00 H new ATOM 0 HA GLN A 74 7.419 5.354 7.080 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.174 8.053 6.496 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.211 6.589 6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.927 7.609 8.831 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.197 7.852 8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.737 6.759 10.617 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.889 5.005 10.766 1.00 0.00 H new ATOM 1200 N ILE A 75 7.504 6.638 4.071 1.00 0.00 N ATOM 1201 CA ILE A 75 7.391 6.299 2.656 1.00 0.00 C ATOM 1202 C ILE A 75 8.284 5.109 2.319 1.00 0.00 C ATOM 1203 O ILE A 75 7.868 4.177 1.624 1.00 0.00 O ATOM 1204 CB ILE A 75 7.773 7.496 1.758 1.00 0.00 C ATOM 1205 CG1 ILE A 75 6.919 8.713 2.106 1.00 0.00 C ATOM 1206 CG2 ILE A 75 7.612 7.135 0.290 1.00 0.00 C ATOM 1207 CD1 ILE A 75 7.310 9.970 1.359 1.00 0.00 C ATOM 0 H ILE A 75 7.876 7.570 4.254 1.00 0.00 H new ATOM 0 HA ILE A 75 6.350 6.039 2.465 1.00 0.00 H new ATOM 0 HB ILE A 75 8.819 7.743 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.875 8.485 1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.991 8.901 3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.886 7.991 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.260 6.292 0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.575 6.863 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.658 10.790 1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.344 10.225 1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.210 9.802 0.287 1.00 0.00 H new ATOM 1219 N GLU A 76 9.505 5.140 2.839 1.00 0.00 N ATOM 1220 CA GLU A 76 10.468 4.071 2.606 1.00 0.00 C ATOM 1221 C GLU A 76 9.997 2.772 3.250 1.00 0.00 C ATOM 1222 O GLU A 76 10.149 1.688 2.681 1.00 0.00 O ATOM 1223 CB GLU A 76 11.843 4.454 3.164 1.00 0.00 C ATOM 1224 CG GLU A 76 12.407 5.740 2.581 1.00 0.00 C ATOM 1225 CD GLU A 76 13.762 6.094 3.158 1.00 0.00 C ATOM 1226 OE1 GLU A 76 13.821 6.615 4.293 1.00 0.00 O ATOM 1227 OE2 GLU A 76 14.786 5.849 2.482 1.00 0.00 O ATOM 0 H GLU A 76 9.853 5.897 3.427 1.00 0.00 H new ATOM 0 HA GLU A 76 10.550 3.922 1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.769 4.559 4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.543 3.641 2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.492 5.638 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.711 6.557 2.770 1.00 0.00 H new ATOM 1234 N ALA A 77 9.418 2.895 4.438 1.00 0.00 N ATOM 1235 CA ALA A 77 8.951 1.742 5.191 1.00 0.00 C ATOM 1236 C ALA A 77 7.694 1.137 4.571 1.00 0.00 C ATOM 1237 O ALA A 77 7.612 -0.081 4.393 1.00 0.00 O ATOM 1238 CB ALA A 77 8.691 2.130 6.638 1.00 0.00 C ATOM 0 H ALA A 77 9.261 3.790 4.902 1.00 0.00 H new ATOM 0 HA ALA A 77 9.734 0.984 5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.342 1.258 7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.613 2.499 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.931 2.911 6.674 1.00 0.00 H new ATOM 1244 N VAL A 78 6.728 1.987 4.231 1.00 0.00 N ATOM 1245 CA VAL A 78 5.444 1.527 3.708 1.00 0.00 C ATOM 1246 C VAL A 78 5.611 0.678 2.453 1.00 0.00 C ATOM 1247 O VAL A 78 4.958 -0.351 2.315 1.00 0.00 O ATOM 1248 CB VAL A 78 4.488 2.712 3.427 1.00 0.00 C ATOM 1249 CG1 VAL A 78 3.315 2.288 2.553 1.00 0.00 C ATOM 1250 CG2 VAL A 78 3.978 3.287 4.739 1.00 0.00 C ATOM 0 H VAL A 78 6.811 3.001 4.309 1.00 0.00 H new ATOM 0 HA VAL A 78 5.000 0.901 4.482 1.00 0.00 H new ATOM 0 HB VAL A 78 5.048 3.476 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.665 3.145 2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.688 1.913 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.751 1.503 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.306 4.120 4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.441 2.515 5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.821 3.638 5.334 1.00 0.00 H new ATOM 1260 N LYS A 79 6.504 1.094 1.558 1.00 0.00 N ATOM 1261 CA LYS A 79 6.736 0.362 0.313 1.00 0.00 C ATOM 1262 C LYS A 79 7.035 -1.112 0.586 1.00 0.00 C ATOM 1263 O LYS A 79 6.417 -2.001 -0.001 1.00 0.00 O ATOM 1264 CB LYS A 79 7.899 0.976 -0.472 1.00 0.00 C ATOM 1265 CG LYS A 79 8.203 0.234 -1.763 1.00 0.00 C ATOM 1266 CD LYS A 79 9.452 0.764 -2.446 1.00 0.00 C ATOM 1267 CE LYS A 79 9.808 -0.074 -3.664 1.00 0.00 C ATOM 1268 NZ LYS A 79 11.123 0.306 -4.244 1.00 0.00 N ATOM 0 H LYS A 79 7.077 1.930 1.670 1.00 0.00 H new ATOM 0 HA LYS A 79 5.824 0.434 -0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.665 2.015 -0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.790 0.982 0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.330 -0.827 -1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.354 0.324 -2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.294 1.800 -2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.284 0.760 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.827 -1.127 -3.385 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.032 0.041 -4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.323 -0.292 -5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.098 1.304 -4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.869 0.172 -3.531 1.00 0.00 H new ATOM 1282 N ASP A 80 7.967 -1.360 1.494 1.00 0.00 N ATOM 1283 CA ASP A 80 8.393 -2.723 1.792 1.00 0.00 C ATOM 1284 C ASP A 80 7.342 -3.454 2.619 1.00 0.00 C ATOM 1285 O ASP A 80 7.034 -4.618 2.361 1.00 0.00 O ATOM 1286 CB ASP A 80 9.731 -2.715 2.532 1.00 0.00 C ATOM 1287 CG ASP A 80 10.298 -4.109 2.708 1.00 0.00 C ATOM 1288 OD1 ASP A 80 10.948 -4.610 1.766 1.00 0.00 O ATOM 1289 OD2 ASP A 80 10.105 -4.708 3.787 1.00 0.00 O ATOM 0 H ASP A 80 8.443 -0.639 2.037 1.00 0.00 H new ATOM 0 HA ASP A 80 8.515 -3.252 0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.444 -2.102 1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.600 -2.252 3.510 1.00 0.00 H new ATOM 1294 N ASN A 81 6.780 -2.756 3.599 1.00 0.00 N ATOM 1295 CA ASN A 81 5.756 -3.337 4.465 1.00 0.00 C ATOM 1296 C ASN A 81 4.517 -3.715 3.669 1.00 0.00 C ATOM 1297 O ASN A 81 3.860 -4.707 3.970 1.00 0.00 O ATOM 1298 CB ASN A 81 5.382 -2.373 5.595 1.00 0.00 C ATOM 1299 CG ASN A 81 6.369 -2.420 6.746 1.00 0.00 C ATOM 1300 OD1 ASN A 81 6.189 -3.173 7.698 1.00 0.00 O ATOM 1301 ND2 ASN A 81 7.415 -1.616 6.667 1.00 0.00 N ATOM 0 H ASN A 81 7.015 -1.787 3.815 1.00 0.00 H new ATOM 0 HA ASN A 81 6.173 -4.243 4.905 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.335 -1.357 5.202 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.386 -2.619 5.964 1.00 0.00 H new ATOM 0 HD21 ASN A 81 8.109 -1.607 7.415 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.528 -1.005 5.858 1.00 0.00 H new ATOM 1308 N PHE A 82 4.211 -2.927 2.648 1.00 0.00 N ATOM 1309 CA PHE A 82 3.079 -3.207 1.778 1.00 0.00 C ATOM 1310 C PHE A 82 3.307 -4.504 1.013 1.00 0.00 C ATOM 1311 O PHE A 82 2.420 -5.352 0.931 1.00 0.00 O ATOM 1312 CB PHE A 82 2.858 -2.049 0.799 1.00 0.00 C ATOM 1313 CG PHE A 82 1.660 -2.231 -0.091 1.00 0.00 C ATOM 1314 CD1 PHE A 82 0.378 -2.172 0.429 1.00 0.00 C ATOM 1315 CD2 PHE A 82 1.818 -2.460 -1.450 1.00 0.00 C ATOM 1316 CE1 PHE A 82 -0.724 -2.338 -0.388 1.00 0.00 C ATOM 1317 CE2 PHE A 82 0.719 -2.626 -2.270 1.00 0.00 C ATOM 1318 CZ PHE A 82 -0.552 -2.567 -1.738 1.00 0.00 C ATOM 0 H PHE A 82 4.733 -2.086 2.402 1.00 0.00 H new ATOM 0 HA PHE A 82 2.188 -3.317 2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.743 -1.124 1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.747 -1.935 0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.238 -1.994 1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.811 -2.509 -1.871 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.719 -2.289 0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.855 -2.802 -3.327 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.412 -2.700 -2.377 1.00 0.00 H new ATOM 1328 N LEU A 83 4.509 -4.661 0.469 1.00 0.00 N ATOM 1329 CA LEU A 83 4.861 -5.861 -0.279 1.00 0.00 C ATOM 1330 C LEU A 83 4.810 -7.093 0.619 1.00 0.00 C ATOM 1331 O LEU A 83 4.250 -8.126 0.243 1.00 0.00 O ATOM 1332 CB LEU A 83 6.253 -5.714 -0.896 1.00 0.00 C ATOM 1333 CG LEU A 83 6.379 -4.612 -1.949 1.00 0.00 C ATOM 1334 CD1 LEU A 83 7.804 -4.528 -2.468 1.00 0.00 C ATOM 1335 CD2 LEU A 83 5.408 -4.854 -3.093 1.00 0.00 C ATOM 0 H LEU A 83 5.257 -3.970 0.533 1.00 0.00 H new ATOM 0 HA LEU A 83 4.133 -5.989 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.969 -5.517 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.535 -6.664 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 83 6.129 -3.660 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.873 -3.738 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.480 -4.305 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.084 -5.480 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.512 -4.060 -3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.627 -5.815 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.388 -4.861 -2.709 1.00 0.00 H new ATOM 1347 N GLU A 84 5.380 -6.971 1.812 1.00 0.00 N ATOM 1348 CA GLU A 84 5.347 -8.050 2.787 1.00 0.00 C ATOM 1349 C GLU A 84 3.906 -8.341 3.203 1.00 0.00 C ATOM 1350 O GLU A 84 3.524 -9.499 3.381 1.00 0.00 O ATOM 1351 CB GLU A 84 6.200 -7.693 4.010 1.00 0.00 C ATOM 1352 CG GLU A 84 6.212 -8.771 5.084 1.00 0.00 C ATOM 1353 CD GLU A 84 7.171 -8.465 6.217 1.00 0.00 C ATOM 1354 OE1 GLU A 84 6.902 -7.530 6.997 1.00 0.00 O ATOM 1355 OE2 GLU A 84 8.202 -9.163 6.331 1.00 0.00 O ATOM 0 H GLU A 84 5.871 -6.134 2.126 1.00 0.00 H new ATOM 0 HA GLU A 84 5.764 -8.947 2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.223 -7.505 3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.827 -6.765 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.206 -8.886 5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.485 -9.724 4.632 1.00 0.00 H new ATOM 1362 N LEU A 85 3.113 -7.283 3.334 1.00 0.00 N ATOM 1363 CA LEU A 85 1.707 -7.407 3.691 1.00 0.00 C ATOM 1364 C LEU A 85 0.982 -8.269 2.663 1.00 0.00 C ATOM 1365 O LEU A 85 0.369 -9.275 3.015 1.00 0.00 O ATOM 1366 CB LEU A 85 1.066 -6.011 3.793 1.00 0.00 C ATOM 1367 CG LEU A 85 -0.312 -5.936 4.467 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -0.582 -4.517 4.936 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -1.415 -6.383 3.519 1.00 0.00 C ATOM 0 H LEU A 85 3.425 -6.322 3.196 1.00 0.00 H new ATOM 0 HA LEU A 85 1.623 -7.893 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.749 -5.361 4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.976 -5.603 2.786 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.306 -6.609 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.561 -4.472 5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.184 -4.218 5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.563 -3.841 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.378 -6.319 4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.423 -5.738 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.235 -7.413 3.211 1.00 0.00 H new ATOM 1381 N VAL A 86 1.093 -7.899 1.393 1.00 0.00 N ATOM 1382 CA VAL A 86 0.433 -8.638 0.318 1.00 0.00 C ATOM 1383 C VAL A 86 0.899 -10.094 0.292 1.00 0.00 C ATOM 1384 O VAL A 86 0.093 -11.010 0.119 1.00 0.00 O ATOM 1385 CB VAL A 86 0.695 -7.983 -1.059 1.00 0.00 C ATOM 1386 CG1 VAL A 86 0.013 -8.761 -2.175 1.00 0.00 C ATOM 1387 CG2 VAL A 86 0.232 -6.535 -1.063 1.00 0.00 C ATOM 0 H VAL A 86 1.633 -7.092 1.080 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.638 -8.611 0.517 1.00 0.00 H new ATOM 0 HB VAL A 86 1.770 -8.004 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.214 -8.278 -3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.398 -9.781 -2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.062 -8.783 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.426 -6.094 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.837 -6.494 -0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.774 -5.977 -0.299 1.00 0.00 H new ATOM 1397 N LEU A 87 2.193 -10.293 0.499 1.00 0.00 N ATOM 1398 CA LEU A 87 2.795 -11.621 0.457 1.00 0.00 C ATOM 1399 C LEU A 87 2.157 -12.568 1.476 1.00 0.00 C ATOM 1400 O LEU A 87 1.628 -13.619 1.109 1.00 0.00 O ATOM 1401 CB LEU A 87 4.301 -11.521 0.706 1.00 0.00 C ATOM 1402 CG LEU A 87 5.067 -12.846 0.649 1.00 0.00 C ATOM 1403 CD1 LEU A 87 5.002 -13.447 -0.748 1.00 0.00 C ATOM 1404 CD2 LEU A 87 6.513 -12.643 1.078 1.00 0.00 C ATOM 0 H LEU A 87 2.854 -9.543 0.700 1.00 0.00 H new ATOM 0 HA LEU A 87 2.616 -12.034 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.729 -10.842 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.461 -11.071 1.686 1.00 0.00 H new ATOM 0 HG LEU A 87 4.596 -13.544 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.553 -14.388 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.962 -13.630 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.445 -12.754 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.043 -13.594 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.993 -11.927 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.540 -12.262 2.099 1.00 0.00 H new ATOM 1416 N GLN A 88 2.189 -12.195 2.752 1.00 0.00 N ATOM 1417 CA GLN A 88 1.726 -13.100 3.799 1.00 0.00 C ATOM 1418 C GLN A 88 0.202 -13.113 3.932 1.00 0.00 C ATOM 1419 O GLN A 88 -0.352 -13.959 4.637 1.00 0.00 O ATOM 1420 CB GLN A 88 2.413 -12.805 5.145 1.00 0.00 C ATOM 1421 CG GLN A 88 2.440 -11.339 5.566 1.00 0.00 C ATOM 1422 CD GLN A 88 1.098 -10.816 6.038 1.00 0.00 C ATOM 1423 OE1 GLN A 88 0.272 -11.564 6.549 1.00 0.00 O ATOM 1424 NE2 GLN A 88 0.888 -9.522 5.891 1.00 0.00 N ATOM 0 H GLN A 88 2.524 -11.290 3.082 1.00 0.00 H new ATOM 0 HA GLN A 88 2.017 -14.105 3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.909 -13.378 5.923 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.439 -13.169 5.096 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.171 -11.213 6.365 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.780 -10.735 4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.602 -8.935 5.460 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.011 -9.108 6.208 1.00 0.00 H new ATOM 1433 N SER A 89 -0.478 -12.204 3.234 1.00 0.00 N ATOM 1434 CA SER A 89 -1.938 -12.192 3.233 1.00 0.00 C ATOM 1435 C SER A 89 -2.483 -13.430 2.525 1.00 0.00 C ATOM 1436 O SER A 89 -3.589 -13.882 2.814 1.00 0.00 O ATOM 1437 CB SER A 89 -2.476 -10.924 2.566 1.00 0.00 C ATOM 1438 OG SER A 89 -2.153 -9.774 3.325 1.00 0.00 O ATOM 0 H SER A 89 -0.046 -11.474 2.668 1.00 0.00 H new ATOM 0 HA SER A 89 -2.274 -12.203 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.058 -10.831 1.563 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.558 -10.998 2.455 1.00 0.00 H new ATOM 0 HG SER A 89 -1.191 -9.766 3.514 1.00 0.00 H new ATOM 1444 N TYR A 90 -1.697 -13.983 1.608 1.00 0.00 N ATOM 1445 CA TYR A 90 -2.097 -15.192 0.905 1.00 0.00 C ATOM 1446 C TYR A 90 -1.832 -16.427 1.755 1.00 0.00 C ATOM 1447 O TYR A 90 -2.739 -17.205 2.037 1.00 0.00 O ATOM 1448 CB TYR A 90 -1.357 -15.319 -0.431 1.00 0.00 C ATOM 1449 CG TYR A 90 -1.759 -14.288 -1.462 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -3.056 -14.242 -1.954 1.00 0.00 C ATOM 1451 CD2 TYR A 90 -0.843 -13.362 -1.944 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -3.429 -13.306 -2.899 1.00 0.00 C ATOM 1453 CE2 TYR A 90 -1.208 -12.423 -2.890 1.00 0.00 C ATOM 1454 CZ TYR A 90 -2.503 -12.400 -3.364 1.00 0.00 C ATOM 1455 OH TYR A 90 -2.873 -11.468 -4.309 1.00 0.00 O ATOM 0 H TYR A 90 -0.785 -13.615 1.337 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.167 -15.120 0.710 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.285 -15.236 -0.249 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.535 -16.314 -0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.786 -14.950 -1.592 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.171 -13.376 -1.573 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.443 -13.285 -3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.483 -11.711 -3.256 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.103 -10.903 -4.530 1.00 0.00 H new ATOM 1465 N VAL A 91 -0.586 -16.588 2.181 1.00 0.00 N ATOM 1466 CA VAL A 91 -0.170 -17.791 2.898 1.00 0.00 C ATOM 1467 C VAL A 91 -0.668 -17.810 4.346 1.00 0.00 C ATOM 1468 O VAL A 91 -0.650 -18.855 4.994 1.00 0.00 O ATOM 1469 CB VAL A 91 1.364 -17.952 2.879 1.00 0.00 C ATOM 1470 CG1 VAL A 91 1.849 -18.249 1.470 1.00 0.00 C ATOM 1471 CG2 VAL A 91 2.045 -16.706 3.420 1.00 0.00 C ATOM 0 H VAL A 91 0.156 -15.902 2.043 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.626 -18.630 2.373 1.00 0.00 H new ATOM 0 HB VAL A 91 1.626 -18.792 3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.933 -18.360 1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.391 -19.172 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.571 -17.428 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.126 -16.843 3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.775 -15.848 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.723 -16.532 4.447 1.00 0.00 H new ATOM 1481 N HIS A 92 -1.101 -16.647 4.843 1.00 0.00 N ATOM 1482 CA HIS A 92 -1.638 -16.515 6.206 1.00 0.00 C ATOM 1483 C HIS A 92 -0.558 -16.808 7.244 1.00 0.00 C ATOM 1484 O HIS A 92 -0.857 -17.156 8.388 1.00 0.00 O ATOM 1485 CB HIS A 92 -2.837 -17.452 6.435 1.00 0.00 C ATOM 1486 CG HIS A 92 -3.975 -17.260 5.475 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -4.961 -18.202 5.287 1.00 0.00 N ATOM 1488 CD2 HIS A 92 -4.271 -16.240 4.635 1.00 0.00 C ATOM 1489 CE1 HIS A 92 -5.809 -17.774 4.372 1.00 0.00 C ATOM 1490 NE2 HIS A 92 -5.415 -16.585 3.959 1.00 0.00 N ATOM 0 H HIS A 92 -1.090 -15.773 4.317 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.977 -15.485 6.319 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -2.493 -18.484 6.367 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.207 -17.305 7.450 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.711 -15.324 4.518 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -6.680 -18.307 4.020 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -5.883 -16.016 3.254 1.00 0.00 H new ATOM 1499 N HIS A 93 0.697 -16.616 6.850 1.00 0.00 N ATOM 1500 CA HIS A 93 1.836 -16.988 7.686 1.00 0.00 C ATOM 1501 C HIS A 93 2.165 -15.879 8.687 1.00 0.00 C ATOM 1502 O HIS A 93 3.291 -15.378 8.742 1.00 0.00 O ATOM 1503 CB HIS A 93 3.051 -17.292 6.800 1.00 0.00 C ATOM 1504 CG HIS A 93 4.115 -18.117 7.472 1.00 0.00 C ATOM 1505 ND1 HIS A 93 4.118 -19.495 7.450 1.00 0.00 N ATOM 1506 CD2 HIS A 93 5.217 -17.755 8.171 1.00 0.00 C ATOM 1507 CE1 HIS A 93 5.172 -19.942 8.106 1.00 0.00 C ATOM 1508 NE2 HIS A 93 5.855 -18.907 8.552 1.00 0.00 N ATOM 0 H HIS A 93 0.953 -16.203 5.953 1.00 0.00 H new ATOM 0 HA HIS A 93 1.576 -17.882 8.253 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.712 -17.815 5.906 1.00 0.00 H new ATOM 0 HB3 HIS A 93 3.491 -16.351 6.471 1.00 0.00 H new ATOM 0 HD2 HIS A 93 5.534 -16.746 8.388 1.00 0.00 H new ATOM 0 HE1 HIS A 93 5.431 -20.980 8.253 1.00 0.00 H new ATOM 0 HE2 HIS A 93 6.718 -18.955 9.093 1.00 0.00 H new ATOM 1517 N ILE A 94 1.173 -15.504 9.477 1.00 0.00 N ATOM 1518 CA ILE A 94 1.345 -14.485 10.499 1.00 0.00 C ATOM 1519 C ILE A 94 0.269 -14.654 11.572 1.00 0.00 C ATOM 1520 O ILE A 94 -0.859 -15.053 11.269 1.00 0.00 O ATOM 1521 CB ILE A 94 1.283 -13.061 9.894 1.00 0.00 C ATOM 1522 CG1 ILE A 94 1.737 -12.021 10.923 1.00 0.00 C ATOM 1523 CG2 ILE A 94 -0.123 -12.746 9.399 1.00 0.00 C ATOM 1524 CD1 ILE A 94 1.878 -10.627 10.353 1.00 0.00 C ATOM 0 H ILE A 94 0.232 -15.894 9.429 1.00 0.00 H new ATOM 0 HA ILE A 94 2.331 -14.608 10.947 1.00 0.00 H new ATOM 0 HB ILE A 94 1.961 -13.022 9.041 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.021 -11.998 11.744 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.694 -12.331 11.343 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.144 -11.741 8.978 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.409 -13.466 8.633 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.824 -12.805 10.232 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.202 -9.944 11.138 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.616 -10.635 9.551 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.917 -10.296 9.959 1.00 0.00 H new ATOM 1536 N HIS A 95 0.610 -14.348 12.818 1.00 0.00 N ATOM 1537 CA HIS A 95 -0.295 -14.593 13.939 1.00 0.00 C ATOM 1538 C HIS A 95 -1.236 -13.414 14.192 1.00 0.00 C ATOM 1539 O HIS A 95 -1.404 -12.983 15.331 1.00 0.00 O ATOM 1540 CB HIS A 95 0.500 -14.924 15.208 1.00 0.00 C ATOM 1541 CG HIS A 95 1.127 -16.287 15.179 1.00 0.00 C ATOM 1542 ND1 HIS A 95 0.660 -17.347 15.927 1.00 0.00 N ATOM 1543 CD2 HIS A 95 2.182 -16.764 14.476 1.00 0.00 C ATOM 1544 CE1 HIS A 95 1.401 -18.412 15.685 1.00 0.00 C ATOM 1545 NE2 HIS A 95 2.331 -18.087 14.808 1.00 0.00 N ATOM 0 H HIS A 95 1.503 -13.931 13.079 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.914 -15.449 13.671 1.00 0.00 H new ATOM 0 HB2 HIS A 95 1.281 -14.176 15.344 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -0.162 -14.855 16.071 1.00 0.00 H new ATOM 0 HD2 HIS A 95 2.793 -16.206 13.782 1.00 0.00 H new ATOM 0 HE1 HIS A 95 1.268 -19.387 16.131 1.00 0.00 H new ATOM 0 HE2 HIS A 95 3.044 -18.716 14.438 1.00 0.00 H new ATOM 1554 N LYS A 96 -1.827 -12.893 13.112 1.00 0.00 N ATOM 1555 CA LYS A 96 -2.952 -11.948 13.185 1.00 0.00 C ATOM 1556 C LYS A 96 -2.577 -10.559 13.718 1.00 0.00 C ATOM 1557 O LYS A 96 -2.644 -9.579 12.979 1.00 0.00 O ATOM 1558 CB LYS A 96 -4.091 -12.550 14.016 1.00 0.00 C ATOM 1559 CG LYS A 96 -4.727 -13.762 13.360 1.00 0.00 C ATOM 1560 CD LYS A 96 -5.571 -14.562 14.337 1.00 0.00 C ATOM 1561 CE LYS A 96 -6.223 -15.751 13.651 1.00 0.00 C ATOM 1562 NZ LYS A 96 -5.231 -16.602 12.938 1.00 0.00 N ATOM 0 H LYS A 96 -1.540 -13.114 12.159 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.278 -11.789 12.157 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.708 -12.834 14.996 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.855 -11.790 14.180 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.349 -13.438 12.525 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.947 -14.402 12.947 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.948 -14.910 15.160 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.340 -13.921 14.768 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.749 -16.353 14.392 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.970 -15.394 12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.669 -17.512 12.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.920 -16.120 12.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.410 -16.769 13.555 1.00 0.00 H new ATOM 1576 N LYS A 97 -2.178 -10.477 14.983 1.00 0.00 N ATOM 1577 CA LYS A 97 -1.993 -9.187 15.653 1.00 0.00 C ATOM 1578 C LYS A 97 -1.014 -8.275 14.908 1.00 0.00 C ATOM 1579 O LYS A 97 -1.298 -7.097 14.689 1.00 0.00 O ATOM 1580 CB LYS A 97 -1.525 -9.381 17.102 1.00 0.00 C ATOM 1581 CG LYS A 97 -0.166 -10.053 17.243 1.00 0.00 C ATOM 1582 CD LYS A 97 0.488 -9.698 18.568 1.00 0.00 C ATOM 1583 CE LYS A 97 1.911 -10.223 18.651 1.00 0.00 C ATOM 1584 NZ LYS A 97 2.665 -9.589 19.764 1.00 0.00 N ATOM 0 H LYS A 97 -1.975 -11.287 15.568 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.967 -8.697 15.653 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.487 -8.408 17.591 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.267 -9.977 17.633 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.283 -11.134 17.170 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.481 -9.746 16.421 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.492 -8.615 18.693 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.101 -10.112 19.387 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.893 -11.304 18.792 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.425 -10.033 17.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.632 -9.971 19.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.703 -8.560 19.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.188 -9.791 20.666 1.00 0.00 H new ATOM 1598 N ARG A 98 0.127 -8.824 14.501 1.00 0.00 N ATOM 1599 CA ARG A 98 1.168 -8.025 13.866 1.00 0.00 C ATOM 1600 C ARG A 98 0.734 -7.610 12.464 1.00 0.00 C ATOM 1601 O ARG A 98 1.207 -6.612 11.926 1.00 0.00 O ATOM 1602 CB ARG A 98 2.491 -8.803 13.830 1.00 0.00 C ATOM 1603 CG ARG A 98 3.727 -7.929 14.030 1.00 0.00 C ATOM 1604 CD ARG A 98 4.126 -7.189 12.761 1.00 0.00 C ATOM 1605 NE ARG A 98 4.246 -5.743 12.971 1.00 0.00 N ATOM 1606 CZ ARG A 98 5.304 -5.018 12.603 1.00 0.00 C ATOM 1607 NH1 ARG A 98 6.380 -5.609 12.105 1.00 0.00 N ATOM 1608 NH2 ARG A 98 5.288 -3.701 12.758 1.00 0.00 N ATOM 0 H ARG A 98 0.353 -9.814 14.599 1.00 0.00 H new ATOM 0 HA ARG A 98 1.326 -7.120 14.452 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.471 -9.570 14.604 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.573 -9.318 12.873 1.00 0.00 H new ATOM 0 HG2 ARG A 98 3.533 -7.207 14.823 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.559 -8.551 14.361 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.077 -7.581 12.399 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.386 -7.380 11.984 1.00 0.00 H new ATOM 0 HE ARG A 98 3.472 -5.261 13.427 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.403 -6.623 12.001 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.186 -5.050 11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.468 -3.244 13.158 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.096 -3.145 12.477 1.00 0.00 H new ATOM 1622 N PHE A 99 -0.194 -8.367 11.892 1.00 0.00 N ATOM 1623 CA PHE A 99 -0.738 -8.050 10.579 1.00 0.00 C ATOM 1624 C PHE A 99 -1.487 -6.724 10.636 1.00 0.00 C ATOM 1625 O PHE A 99 -1.317 -5.865 9.768 1.00 0.00 O ATOM 1626 CB PHE A 99 -1.671 -9.172 10.106 1.00 0.00 C ATOM 1627 CG PHE A 99 -2.389 -8.874 8.823 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -1.739 -8.994 7.609 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -3.717 -8.477 8.832 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -2.395 -8.724 6.426 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -4.381 -8.205 7.652 1.00 0.00 C ATOM 1632 CZ PHE A 99 -3.718 -8.329 6.445 1.00 0.00 C ATOM 0 H PHE A 99 -0.586 -9.207 12.319 1.00 0.00 H new ATOM 0 HA PHE A 99 0.082 -7.961 9.867 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.089 -10.085 9.980 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.408 -9.369 10.885 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.704 -9.303 7.586 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.239 -8.379 9.773 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.874 -8.822 5.485 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.416 -7.896 7.672 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.233 -8.118 5.520 1.00 0.00 H new ATOM 1642 N LYS A 100 -2.292 -6.557 11.678 1.00 0.00 N ATOM 1643 CA LYS A 100 -3.054 -5.332 11.872 1.00 0.00 C ATOM 1644 C LYS A 100 -2.121 -4.168 12.166 1.00 0.00 C ATOM 1645 O LYS A 100 -2.347 -3.050 11.712 1.00 0.00 O ATOM 1646 CB LYS A 100 -4.049 -5.502 13.017 1.00 0.00 C ATOM 1647 CG LYS A 100 -5.001 -6.664 12.820 1.00 0.00 C ATOM 1648 CD LYS A 100 -6.048 -6.722 13.918 1.00 0.00 C ATOM 1649 CE LYS A 100 -6.929 -5.480 13.914 1.00 0.00 C ATOM 1650 NZ LYS A 100 -8.066 -5.596 14.865 1.00 0.00 N ATOM 0 H LYS A 100 -2.434 -7.259 12.404 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.603 -5.120 10.955 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.500 -5.646 13.947 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.626 -4.584 13.126 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.493 -6.572 11.852 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.438 -7.597 12.804 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.667 -7.609 13.785 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.557 -6.818 14.886 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.327 -4.609 14.174 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.314 -5.313 12.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.639 -4.729 14.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.656 -6.411 14.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.700 -5.729 15.829 1.00 0.00 H new ATOM 1664 N ASP A 101 -1.077 -4.450 12.934 1.00 0.00 N ATOM 1665 CA ASP A 101 -0.043 -3.460 13.246 1.00 0.00 C ATOM 1666 C ASP A 101 0.575 -2.910 11.966 1.00 0.00 C ATOM 1667 O ASP A 101 0.660 -1.694 11.780 1.00 0.00 O ATOM 1668 CB ASP A 101 1.041 -4.091 14.126 1.00 0.00 C ATOM 1669 CG ASP A 101 2.118 -3.107 14.548 1.00 0.00 C ATOM 1670 OD1 ASP A 101 3.031 -2.839 13.744 1.00 0.00 O ATOM 1671 OD2 ASP A 101 2.065 -2.621 15.697 1.00 0.00 O ATOM 0 H ASP A 101 -0.919 -5.364 13.358 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.505 -2.635 13.789 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.576 -4.514 15.016 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.504 -4.916 13.585 1.00 0.00 H new ATOM 1676 N ILE A 102 0.992 -3.812 11.083 1.00 0.00 N ATOM 1677 CA ILE A 102 1.537 -3.417 9.788 1.00 0.00 C ATOM 1678 C ILE A 102 0.491 -2.659 8.975 1.00 0.00 C ATOM 1679 O ILE A 102 0.747 -1.555 8.496 1.00 0.00 O ATOM 1680 CB ILE A 102 2.026 -4.640 8.973 1.00 0.00 C ATOM 1681 CG1 ILE A 102 3.153 -5.366 9.709 1.00 0.00 C ATOM 1682 CG2 ILE A 102 2.488 -4.217 7.586 1.00 0.00 C ATOM 1683 CD1 ILE A 102 3.633 -6.620 9.005 1.00 0.00 C ATOM 0 H ILE A 102 0.963 -4.819 11.240 1.00 0.00 H new ATOM 0 HA ILE A 102 2.391 -2.769 9.985 1.00 0.00 H new ATOM 0 HB ILE A 102 1.187 -5.327 8.862 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.994 -4.684 9.830 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.810 -5.630 10.709 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.827 -5.093 7.033 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.660 -3.749 7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.309 -3.506 7.677 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.432 -7.080 9.586 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.805 -7.322 8.907 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.007 -6.361 8.015 1.00 0.00 H new ATOM 1695 N THR A 103 -0.693 -3.247 8.854 1.00 0.00 N ATOM 1696 CA THR A 103 -1.769 -2.664 8.064 1.00 0.00 C ATOM 1697 C THR A 103 -2.102 -1.247 8.540 1.00 0.00 C ATOM 1698 O THR A 103 -2.268 -0.341 7.730 1.00 0.00 O ATOM 1699 CB THR A 103 -3.034 -3.542 8.124 1.00 0.00 C ATOM 1700 OG1 THR A 103 -2.715 -4.881 7.723 1.00 0.00 O ATOM 1701 CG2 THR A 103 -4.125 -2.996 7.218 1.00 0.00 C ATOM 0 H THR A 103 -0.933 -4.134 9.297 1.00 0.00 H new ATOM 0 HA THR A 103 -1.422 -2.612 7.032 1.00 0.00 H new ATOM 0 HB THR A 103 -3.399 -3.537 9.151 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.426 -5.396 8.505 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.005 -3.636 7.281 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.388 -1.986 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.766 -2.974 6.189 1.00 0.00 H new ATOM 1709 N GLU A 104 -2.166 -1.061 9.854 1.00 0.00 N ATOM 1710 CA GLU A 104 -2.477 0.232 10.433 1.00 0.00 C ATOM 1711 C GLU A 104 -1.380 1.238 10.117 1.00 0.00 C ATOM 1712 O GLU A 104 -1.657 2.341 9.642 1.00 0.00 O ATOM 1713 CB GLU A 104 -2.641 0.090 11.946 1.00 0.00 C ATOM 1714 CG GLU A 104 -3.193 1.330 12.611 1.00 0.00 C ATOM 1715 CD GLU A 104 -3.352 1.167 14.109 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -4.272 0.435 14.539 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -2.566 1.769 14.866 1.00 0.00 O ATOM 0 H GLU A 104 -2.004 -1.799 10.539 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.410 0.596 10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.303 -0.750 12.155 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.674 -0.150 12.388 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.530 2.171 12.409 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.160 1.574 12.171 1.00 0.00 H new ATOM 1724 N SER A 105 -0.138 0.846 10.370 1.00 0.00 N ATOM 1725 CA SER A 105 1.009 1.708 10.096 1.00 0.00 C ATOM 1726 C SER A 105 1.065 2.103 8.615 1.00 0.00 C ATOM 1727 O SER A 105 1.415 3.235 8.271 1.00 0.00 O ATOM 1728 CB SER A 105 2.299 1.001 10.514 1.00 0.00 C ATOM 1729 OG SER A 105 2.251 0.630 11.884 1.00 0.00 O ATOM 0 H SER A 105 0.103 -0.063 10.765 1.00 0.00 H new ATOM 0 HA SER A 105 0.900 2.624 10.677 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.449 0.114 9.898 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.151 1.658 10.340 1.00 0.00 H new ATOM 0 HG SER A 105 1.726 -0.192 11.982 1.00 0.00 H new ATOM 1735 N VAL A 106 0.702 1.168 7.745 1.00 0.00 N ATOM 1736 CA VAL A 106 0.668 1.425 6.312 1.00 0.00 C ATOM 1737 C VAL A 106 -0.503 2.336 5.947 1.00 0.00 C ATOM 1738 O VAL A 106 -0.316 3.370 5.309 1.00 0.00 O ATOM 1739 CB VAL A 106 0.577 0.108 5.506 1.00 0.00 C ATOM 1740 CG1 VAL A 106 0.346 0.383 4.028 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.840 -0.720 5.693 1.00 0.00 C ATOM 0 H VAL A 106 0.426 0.222 8.009 1.00 0.00 H new ATOM 0 HA VAL A 106 1.600 1.927 6.052 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.275 -0.456 5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.286 -0.561 3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.587 0.933 3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.172 0.975 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.758 -1.643 5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.703 -0.151 5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.965 -0.960 6.749 1.00 0.00 H new ATOM 1751 N LEU A 107 -1.703 1.962 6.381 1.00 0.00 N ATOM 1752 CA LEU A 107 -2.913 2.705 6.043 1.00 0.00 C ATOM 1753 C LEU A 107 -2.868 4.142 6.551 1.00 0.00 C ATOM 1754 O LEU A 107 -3.335 5.051 5.865 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.159 1.997 6.581 1.00 0.00 C ATOM 1756 CG LEU A 107 -4.704 0.873 5.693 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -5.902 0.211 6.353 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -5.092 1.416 4.325 1.00 0.00 C ATOM 0 H LEU A 107 -1.864 1.145 6.970 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.966 2.740 4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.927 1.583 7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.945 2.738 6.725 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.920 0.127 5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.278 -0.585 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.602 -0.209 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.686 0.951 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.477 0.605 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.861 2.180 4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.216 1.853 3.845 1.00 0.00 H new ATOM 1770 N TYR A 108 -2.311 4.351 7.743 1.00 0.00 N ATOM 1771 CA TYR A 108 -2.168 5.703 8.281 1.00 0.00 C ATOM 1772 C TYR A 108 -1.335 6.558 7.332 1.00 0.00 C ATOM 1773 O TYR A 108 -1.736 7.660 6.957 1.00 0.00 O ATOM 1774 CB TYR A 108 -1.521 5.687 9.672 1.00 0.00 C ATOM 1775 CG TYR A 108 -1.425 7.061 10.309 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -2.495 7.594 11.015 1.00 0.00 C ATOM 1777 CD2 TYR A 108 -0.272 7.828 10.192 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -2.419 8.850 11.590 1.00 0.00 C ATOM 1779 CE2 TYR A 108 -0.188 9.085 10.761 1.00 0.00 C ATOM 1780 CZ TYR A 108 -1.265 9.592 11.458 1.00 0.00 C ATOM 1781 OH TYR A 108 -1.187 10.848 12.021 1.00 0.00 O ATOM 0 H TYR A 108 -1.955 3.611 8.348 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.165 6.132 8.377 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.097 5.032 10.325 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.521 5.260 9.594 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.403 7.018 11.117 1.00 0.00 H new ATOM 0 HD2 TYR A 108 0.573 7.435 9.647 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.260 9.247 12.140 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.716 9.667 10.660 1.00 0.00 H new ATOM 0 HH TYR A 108 -0.306 11.235 11.836 1.00 0.00 H new ATOM 1791 N THR A 109 -0.190 6.026 6.927 1.00 0.00 N ATOM 1792 CA THR A 109 0.705 6.734 6.025 1.00 0.00 C ATOM 1793 C THR A 109 0.043 6.951 4.666 1.00 0.00 C ATOM 1794 O THR A 109 0.186 8.013 4.058 1.00 0.00 O ATOM 1795 CB THR A 109 2.026 5.966 5.844 1.00 0.00 C ATOM 1796 OG1 THR A 109 2.588 5.665 7.127 1.00 0.00 O ATOM 1797 CG2 THR A 109 3.023 6.778 5.026 1.00 0.00 C ATOM 0 H THR A 109 0.141 5.104 7.210 1.00 0.00 H new ATOM 0 HA THR A 109 0.924 7.704 6.471 1.00 0.00 H new ATOM 0 HB THR A 109 1.814 5.041 5.308 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.163 4.859 7.489 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.948 6.212 4.913 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.603 6.986 4.042 1.00 0.00 H new ATOM 0 HG23 THR A 109 3.233 7.718 5.537 1.00 0.00 H new ATOM 1805 N LEU A 110 -0.688 5.947 4.202 1.00 0.00 N ATOM 1806 CA LEU A 110 -1.417 6.053 2.946 1.00 0.00 C ATOM 1807 C LEU A 110 -2.458 7.165 3.020 1.00 0.00 C ATOM 1808 O LEU A 110 -2.593 7.963 2.097 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.094 4.725 2.601 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.149 3.555 2.319 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -1.943 2.316 1.930 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -0.161 3.923 1.226 1.00 0.00 C ATOM 0 H LEU A 110 -0.792 5.050 4.676 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.701 6.295 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.751 4.448 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.727 4.877 1.726 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.588 3.334 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.258 1.492 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.614 2.043 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.527 2.525 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.504 3.080 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.703 4.169 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.427 4.785 1.542 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.185 7.217 4.131 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.191 8.254 4.342 1.00 0.00 C ATOM 1826 C HIS A 111 -3.542 9.633 4.383 1.00 0.00 C ATOM 1827 O HIS A 111 -4.117 10.614 3.914 1.00 0.00 O ATOM 1828 CB HIS A 111 -4.967 8.011 5.642 1.00 0.00 C ATOM 1829 CG HIS A 111 -6.064 6.993 5.530 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -7.281 7.125 6.165 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.125 5.819 4.854 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -8.039 6.079 5.890 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -7.360 5.274 5.097 1.00 0.00 N ATOM 0 H HIS A 111 -3.097 6.553 4.900 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.888 8.213 3.505 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.267 7.689 6.413 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.397 8.955 5.976 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.346 5.393 4.239 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -9.043 5.912 6.252 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.699 4.387 4.724 1.00 0.00 H new ATOM 1842 N ALA A 112 -2.339 9.689 4.941 1.00 0.00 N ATOM 1843 CA ALA A 112 -1.586 10.930 5.029 1.00 0.00 C ATOM 1844 C ALA A 112 -1.281 11.491 3.642 1.00 0.00 C ATOM 1845 O ALA A 112 -1.542 12.660 3.363 1.00 0.00 O ATOM 1846 CB ALA A 112 -0.298 10.697 5.804 1.00 0.00 C ATOM 0 H ALA A 112 -1.862 8.881 5.342 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.194 11.665 5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 112 0.262 11.630 5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.536 10.348 6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.304 9.946 5.292 1.00 0.00 H new ATOM 1852 N VAL A 113 -0.761 10.638 2.769 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.393 11.051 1.419 1.00 0.00 C ATOM 1854 C VAL A 113 -1.646 11.327 0.598 1.00 0.00 C ATOM 1855 O VAL A 113 -1.703 12.270 -0.194 1.00 0.00 O ATOM 1856 CB VAL A 113 0.450 9.967 0.708 1.00 0.00 C ATOM 1857 CG1 VAL A 113 0.937 10.456 -0.647 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.628 9.546 1.573 1.00 0.00 C ATOM 0 H VAL A 113 -0.584 9.654 2.971 1.00 0.00 H new ATOM 0 HA VAL A 113 0.205 11.958 1.502 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.190 9.099 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.527 9.674 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.080 10.700 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.553 11.345 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.207 8.783 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.262 10.411 1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.261 9.142 2.517 1.00 0.00 H new ATOM 1868 N LYS A 114 -2.650 10.492 0.816 1.00 0.00 N ATOM 1869 CA LYS A 114 -3.928 10.604 0.133 1.00 0.00 C ATOM 1870 C LYS A 114 -4.553 11.978 0.385 1.00 0.00 C ATOM 1871 O LYS A 114 -5.112 12.591 -0.528 1.00 0.00 O ATOM 1872 CB LYS A 114 -4.850 9.471 0.618 1.00 0.00 C ATOM 1873 CG LYS A 114 -6.130 9.271 -0.188 1.00 0.00 C ATOM 1874 CD LYS A 114 -7.218 10.268 0.185 1.00 0.00 C ATOM 1875 CE LYS A 114 -8.526 9.959 -0.529 1.00 0.00 C ATOM 1876 NZ LYS A 114 -8.365 9.941 -2.007 1.00 0.00 N ATOM 0 H LYS A 114 -2.600 9.715 1.474 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.783 10.508 -0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.286 8.538 0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.122 9.667 1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -5.905 9.365 -1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.500 8.258 -0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.377 10.248 1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.892 11.276 -0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.902 8.992 -0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.273 10.704 -0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.113 9.356 -2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.434 10.911 -2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.435 9.544 -2.250 1.00 0.00 H new ATOM 1890 N ASP A 115 -4.431 12.466 1.615 1.00 0.00 N ATOM 1891 CA ASP A 115 -5.022 13.746 1.986 1.00 0.00 C ATOM 1892 C ASP A 115 -4.260 14.905 1.355 1.00 0.00 C ATOM 1893 O ASP A 115 -4.860 15.753 0.702 1.00 0.00 O ATOM 1894 CB ASP A 115 -5.055 13.912 3.509 1.00 0.00 C ATOM 1895 CG ASP A 115 -5.845 15.137 3.947 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -7.086 15.033 4.071 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -5.238 16.207 4.169 1.00 0.00 O ATOM 0 H ASP A 115 -3.930 11.996 2.369 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.045 13.757 1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.494 13.021 3.958 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.035 13.989 3.885 1.00 0.00 H new ATOM 1902 N GLU A 116 -2.941 14.918 1.527 1.00 0.00 N ATOM 1903 CA GLU A 116 -2.102 16.004 1.022 1.00 0.00 C ATOM 1904 C GLU A 116 -2.247 16.176 -0.491 1.00 0.00 C ATOM 1905 O GLU A 116 -2.416 17.297 -0.978 1.00 0.00 O ATOM 1906 CB GLU A 116 -0.632 15.770 1.403 1.00 0.00 C ATOM 1907 CG GLU A 116 -0.380 15.859 2.902 1.00 0.00 C ATOM 1908 CD GLU A 116 1.089 15.746 3.282 1.00 0.00 C ATOM 1909 OE1 GLU A 116 1.858 16.685 2.995 1.00 0.00 O ATOM 1910 OE2 GLU A 116 1.471 14.732 3.906 1.00 0.00 O ATOM 0 H GLU A 116 -2.427 14.185 2.015 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.442 16.928 1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.323 14.787 1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.009 16.505 0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.770 16.807 3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -0.938 15.068 3.403 1.00 0.00 H new ATOM 1917 N ILE A 117 -2.212 15.073 -1.229 1.00 0.00 N ATOM 1918 CA ILE A 117 -2.328 15.135 -2.683 1.00 0.00 C ATOM 1919 C ILE A 117 -3.704 15.654 -3.102 1.00 0.00 C ATOM 1920 O ILE A 117 -3.812 16.548 -3.943 1.00 0.00 O ATOM 1921 CB ILE A 117 -2.076 13.762 -3.346 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -0.661 13.272 -3.039 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -2.291 13.845 -4.853 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -0.334 11.925 -3.648 1.00 0.00 C ATOM 0 H ILE A 117 -2.105 14.132 -0.850 1.00 0.00 H new ATOM 0 HA ILE A 117 -1.559 15.827 -3.026 1.00 0.00 H new ATOM 0 HB ILE A 117 -2.789 13.048 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 117 0.055 14.008 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -0.534 13.212 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -2.109 12.868 -5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -3.317 14.152 -5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -1.602 14.574 -5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 117 0.686 11.645 -3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -1.026 11.175 -3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -0.427 11.984 -4.732 1.00 0.00 H new ATOM 1936 N ALA A 118 -4.754 15.109 -2.496 1.00 0.00 N ATOM 1937 CA ALA A 118 -6.114 15.516 -2.826 1.00 0.00 C ATOM 1938 C ALA A 118 -6.374 16.949 -2.375 1.00 0.00 C ATOM 1939 O ALA A 118 -7.186 17.662 -2.963 1.00 0.00 O ATOM 1940 CB ALA A 118 -7.121 14.571 -2.186 1.00 0.00 C ATOM 0 H ALA A 118 -4.689 14.388 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 118 -6.230 15.470 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.132 14.889 -2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.955 13.559 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.999 14.588 -1.103 1.00 0.00 H new ATOM 1946 N ARG A 119 -5.673 17.358 -1.329 1.00 0.00 N ATOM 1947 CA ARG A 119 -5.802 18.696 -0.772 1.00 0.00 C ATOM 1948 C ARG A 119 -5.211 19.741 -1.714 1.00 0.00 C ATOM 1949 O ARG A 119 -5.684 20.880 -1.772 1.00 0.00 O ATOM 1950 CB ARG A 119 -5.114 18.740 0.597 1.00 0.00 C ATOM 1951 CG ARG A 119 -5.193 20.081 1.306 1.00 0.00 C ATOM 1952 CD ARG A 119 -4.782 19.954 2.768 1.00 0.00 C ATOM 1953 NE ARG A 119 -5.537 18.899 3.445 1.00 0.00 N ATOM 1954 CZ ARG A 119 -6.707 19.088 4.051 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -7.202 20.314 4.192 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -7.364 18.044 4.543 1.00 0.00 N ATOM 0 H ARG A 119 -4.997 16.770 -0.841 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.859 18.932 -0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -5.561 17.979 1.237 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -4.065 18.473 0.470 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.545 20.800 0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -6.209 20.470 1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.716 19.738 2.830 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.945 20.904 3.277 1.00 0.00 H new ATOM 0 HE ARG A 119 -5.141 17.959 3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.685 21.117 3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -8.099 20.451 4.657 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -6.971 17.107 4.455 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -8.261 18.179 5.009 1.00 0.00 H new ATOM 1970 N GLU A 120 -4.191 19.338 -2.464 1.00 0.00 N ATOM 1971 CA GLU A 120 -3.522 20.232 -3.400 1.00 0.00 C ATOM 1972 C GLU A 120 -4.288 20.373 -4.711 1.00 0.00 C ATOM 1973 O GLU A 120 -4.313 21.452 -5.309 1.00 0.00 O ATOM 1974 CB GLU A 120 -2.103 19.749 -3.676 1.00 0.00 C ATOM 1975 CG GLU A 120 -1.090 20.270 -2.675 1.00 0.00 C ATOM 1976 CD GLU A 120 -0.991 21.783 -2.701 1.00 0.00 C ATOM 1977 OE1 GLU A 120 -0.232 22.315 -3.539 1.00 0.00 O ATOM 1978 OE2 GLU A 120 -1.673 22.440 -1.888 1.00 0.00 O ATOM 0 H GLU A 120 -3.808 18.393 -2.441 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.486 21.216 -2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.088 18.659 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.808 20.061 -4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.369 19.942 -1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.112 19.839 -2.891 1.00 0.00 H new