USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 745 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc=-0.00843 K(o=-0.0084,f=-0.96) USER MOD Single : A 8 HIS : no HE2:sc= -3.44! C(o=-3.4!,f=-11!) USER MOD Single : A 11 TYR OH : rot 15:sc= -0.281 USER MOD Single : A 14 GLN : amide:sc= -0.204 K(o=-0.2,f=-0.94) USER MOD Single : A 16 LYS NZ :NH3+ -119:sc= -1.14 (180deg=-2.74!) USER MOD Single : A 17 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.28) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00208) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= -0.0792 (180deg=-0.509) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 42 CYS SG : rot 180:sc= -2.33 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 81:sc= -0.557! USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.36 K(o=-2.4,f=-7.3!) USER MOD Single : A 69 THR OG1 : rot -4:sc= 0.209 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -90:sc= -0.25 USER MOD Single : A 84 ASN : amide:sc= 0.632 K(o=0.63,f=-2.6!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 82 N LEU A 5 118.012 7.451 5.393 1.00 0.00 N ATOM 83 CA LEU A 5 117.811 6.128 5.979 1.00 0.00 C ATOM 84 C LEU A 5 117.096 6.253 7.329 1.00 0.00 C ATOM 85 O LEU A 5 116.321 5.375 7.726 1.00 0.00 O ATOM 86 CB LEU A 5 119.164 5.429 6.182 1.00 0.00 C ATOM 87 CG LEU A 5 118.951 4.002 6.716 1.00 0.00 C ATOM 88 CD1 LEU A 5 118.188 3.162 5.687 1.00 0.00 C ATOM 89 CD2 LEU A 5 120.309 3.353 6.992 1.00 0.00 C ATOM 0 HA LEU A 5 117.198 5.537 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 5 119.709 5.394 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 5 119.775 5.999 6.882 1.00 0.00 H new ATOM 0 HG LEU A 5 118.371 4.051 7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 5 118.043 2.154 6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 5 117.218 3.619 5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 5 118.760 3.115 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 5 120.159 2.342 7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 5 120.887 3.313 6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 5 120.849 3.941 7.734 1.00 0.00 H new ATOM 101 N SER A 6 117.355 7.348 8.030 1.00 0.00 N ATOM 102 CA SER A 6 116.729 7.571 9.327 1.00 0.00 C ATOM 103 C SER A 6 115.211 7.655 9.175 1.00 0.00 C ATOM 104 O SER A 6 114.460 7.205 10.040 1.00 0.00 O ATOM 105 CB SER A 6 117.263 8.866 9.943 1.00 0.00 C ATOM 106 OG SER A 6 116.984 9.953 9.071 1.00 0.00 O ATOM 0 H SER A 6 117.987 8.089 7.727 1.00 0.00 H new ATOM 0 HA SER A 6 116.969 6.734 9.983 1.00 0.00 H new ATOM 0 HB2 SER A 6 116.800 9.037 10.915 1.00 0.00 H new ATOM 0 HB3 SER A 6 118.337 8.786 10.111 1.00 0.00 H new ATOM 0 HG SER A 6 117.324 10.784 9.465 1.00 0.00 H new ATOM 112 N GLN A 7 114.767 8.230 8.065 1.00 0.00 N ATOM 113 CA GLN A 7 113.340 8.369 7.813 1.00 0.00 C ATOM 114 C GLN A 7 112.653 7.016 7.942 1.00 0.00 C ATOM 115 O GLN A 7 111.568 6.913 8.516 1.00 0.00 O ATOM 116 CB GLN A 7 113.111 8.927 6.406 1.00 0.00 C ATOM 117 CG GLN A 7 111.626 9.245 6.217 1.00 0.00 C ATOM 118 CD GLN A 7 111.399 9.891 4.854 1.00 0.00 C ATOM 119 OE1 GLN A 7 112.261 10.618 4.359 1.00 0.00 O ATOM 120 NE2 GLN A 7 110.286 9.663 4.213 1.00 0.00 N ATOM 0 H GLN A 7 115.369 8.604 7.331 1.00 0.00 H new ATOM 0 HA GLN A 7 112.919 9.056 8.547 1.00 0.00 H new ATOM 0 HB2 GLN A 7 113.708 9.827 6.259 1.00 0.00 H new ATOM 0 HB3 GLN A 7 113.437 8.203 5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 7 111.037 8.331 6.298 1.00 0.00 H new ATOM 0 HG3 GLN A 7 111.286 9.915 7.007 1.00 0.00 H new ATOM 0 HE21 GLN A 7 109.574 9.060 4.626 1.00 0.00 H new ATOM 0 HE22 GLN A 7 110.128 10.087 3.299 1.00 0.00 H new ATOM 129 N HIS A 8 113.288 5.975 7.410 1.00 0.00 N ATOM 130 CA HIS A 8 112.719 4.636 7.480 1.00 0.00 C ATOM 131 C HIS A 8 112.656 4.172 8.928 1.00 0.00 C ATOM 132 O HIS A 8 111.653 3.613 9.367 1.00 0.00 O ATOM 133 CB HIS A 8 113.573 3.661 6.665 1.00 0.00 C ATOM 134 CG HIS A 8 112.885 2.323 6.591 1.00 0.00 C ATOM 135 ND1 HIS A 8 113.579 1.127 6.682 1.00 0.00 N ATOM 136 CD2 HIS A 8 111.565 1.980 6.430 1.00 0.00 C ATOM 137 CE1 HIS A 8 112.682 0.130 6.577 1.00 0.00 C ATOM 138 NE2 HIS A 8 111.440 0.594 6.422 1.00 0.00 N ATOM 0 H HIS A 8 114.187 6.033 6.931 1.00 0.00 H new ATOM 0 HA HIS A 8 111.710 4.661 7.067 1.00 0.00 H new ATOM 0 HB2 HIS A 8 113.733 4.054 5.661 1.00 0.00 H new ATOM 0 HB3 HIS A 8 114.555 3.551 7.125 1.00 0.00 H new ATOM 0 HD1 HIS A 8 114.586 1.022 6.806 1.00 0.00 H new ATOM 0 HD2 HIS A 8 110.749 2.679 6.326 1.00 0.00 H new ATOM 0 HE1 HIS A 8 112.936 -0.919 6.614 1.00 0.00 H new ATOM 147 N GLU A 9 113.733 4.411 9.670 1.00 0.00 N ATOM 148 CA GLU A 9 113.779 4.010 11.076 1.00 0.00 C ATOM 149 C GLU A 9 112.579 4.580 11.832 1.00 0.00 C ATOM 150 O GLU A 9 112.158 4.034 12.857 1.00 0.00 O ATOM 151 CB GLU A 9 115.079 4.500 11.724 1.00 0.00 C ATOM 152 CG GLU A 9 116.262 3.727 11.138 1.00 0.00 C ATOM 153 CD GLU A 9 117.570 4.269 11.703 1.00 0.00 C ATOM 154 OE1 GLU A 9 117.511 5.187 12.503 1.00 0.00 O ATOM 155 OE2 GLU A 9 118.612 3.757 11.329 1.00 0.00 O ATOM 0 H GLU A 9 114.576 4.874 9.329 1.00 0.00 H new ATOM 0 HA GLU A 9 113.744 2.922 11.125 1.00 0.00 H new ATOM 0 HB2 GLU A 9 115.206 5.568 11.548 1.00 0.00 H new ATOM 0 HB3 GLU A 9 115.036 4.357 12.804 1.00 0.00 H new ATOM 0 HG2 GLU A 9 116.166 2.667 11.373 1.00 0.00 H new ATOM 0 HG3 GLU A 9 116.262 3.814 10.051 1.00 0.00 H new ATOM 162 N ARG A 10 112.028 5.672 11.311 1.00 0.00 N ATOM 163 CA ARG A 10 110.869 6.298 11.943 1.00 0.00 C ATOM 164 C ARG A 10 109.597 5.576 11.535 1.00 0.00 C ATOM 165 O ARG A 10 108.811 5.181 12.379 1.00 0.00 O ATOM 166 CB ARG A 10 110.766 7.767 11.550 1.00 0.00 C ATOM 167 CG ARG A 10 112.033 8.499 12.004 1.00 0.00 C ATOM 168 CD ARG A 10 111.987 9.947 11.527 1.00 0.00 C ATOM 169 NE ARG A 10 110.890 10.649 12.178 1.00 0.00 N ATOM 170 CZ ARG A 10 110.504 11.852 11.767 1.00 0.00 C ATOM 171 NH1 ARG A 10 109.516 12.461 12.365 1.00 0.00 N ATOM 172 NH2 ARG A 10 111.112 12.426 10.765 1.00 0.00 N ATOM 0 H ARG A 10 112.358 6.137 10.465 1.00 0.00 H new ATOM 0 HA ARG A 10 110.995 6.231 13.024 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.645 7.860 10.471 1.00 0.00 H new ATOM 0 HB3 ARG A 10 109.886 8.218 12.009 1.00 0.00 H new ATOM 0 HG2 ARG A 10 112.114 8.466 13.090 1.00 0.00 H new ATOM 0 HG3 ARG A 10 112.916 8.001 11.603 1.00 0.00 H new ATOM 0 HD2 ARG A 10 112.931 10.443 11.751 1.00 0.00 H new ATOM 0 HD3 ARG A 10 111.859 9.979 10.445 1.00 0.00 H new ATOM 0 HE ARG A 10 110.410 10.210 12.963 1.00 0.00 H new ATOM 0 HH11 ARG A 10 109.040 12.013 13.148 1.00 0.00 H new ATOM 0 HH12 ARG A 10 109.220 13.385 12.049 1.00 0.00 H new ATOM 0 HH21 ARG A 10 111.884 11.951 10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 10 110.815 13.350 10.450 1.00 0.00 H new ATOM 186 N TYR A 11 109.400 5.407 10.234 1.00 0.00 N ATOM 187 CA TYR A 11 108.207 4.730 9.736 1.00 0.00 C ATOM 188 C TYR A 11 108.139 3.309 10.295 1.00 0.00 C ATOM 189 O TYR A 11 107.070 2.796 10.598 1.00 0.00 O ATOM 190 CB TYR A 11 108.231 4.682 8.206 1.00 0.00 C ATOM 191 CG TYR A 11 106.875 4.252 7.686 1.00 0.00 C ATOM 192 CD1 TYR A 11 106.649 2.917 7.329 1.00 0.00 C ATOM 193 CD2 TYR A 11 105.848 5.194 7.560 1.00 0.00 C ATOM 194 CE1 TYR A 11 105.395 2.525 6.846 1.00 0.00 C ATOM 195 CE2 TYR A 11 104.594 4.802 7.077 1.00 0.00 C ATOM 196 CZ TYR A 11 104.367 3.467 6.720 1.00 0.00 C ATOM 197 OH TYR A 11 103.132 3.081 6.240 1.00 0.00 O ATOM 0 H TYR A 11 110.043 5.725 9.509 1.00 0.00 H new ATOM 0 HA TYR A 11 107.327 5.285 10.062 1.00 0.00 H new ATOM 0 HB2 TYR A 11 108.490 5.662 7.806 1.00 0.00 H new ATOM 0 HB3 TYR A 11 108.998 3.986 7.867 1.00 0.00 H new ATOM 0 HD1 TYR A 11 107.442 2.190 7.426 1.00 0.00 H new ATOM 0 HD2 TYR A 11 106.023 6.224 7.835 1.00 0.00 H new ATOM 0 HE1 TYR A 11 105.220 1.495 6.570 1.00 0.00 H new ATOM 0 HE2 TYR A 11 103.801 5.529 6.980 1.00 0.00 H new ATOM 0 HH TYR A 11 103.063 2.104 6.262 1.00 0.00 H new ATOM 207 N VAL A 12 109.290 2.676 10.427 1.00 0.00 N ATOM 208 CA VAL A 12 109.327 1.309 10.951 1.00 0.00 C ATOM 209 C VAL A 12 108.860 1.260 12.403 1.00 0.00 C ATOM 210 O VAL A 12 107.924 0.543 12.734 1.00 0.00 O ATOM 211 CB VAL A 12 110.749 0.766 10.865 1.00 0.00 C ATOM 212 CG1 VAL A 12 110.921 -0.394 11.848 1.00 0.00 C ATOM 213 CG2 VAL A 12 111.017 0.268 9.446 1.00 0.00 C ATOM 0 H VAL A 12 110.199 3.071 10.186 1.00 0.00 H new ATOM 0 HA VAL A 12 108.654 0.699 10.349 1.00 0.00 H new ATOM 0 HB VAL A 12 111.452 1.560 11.116 1.00 0.00 H new ATOM 0 HG11 VAL A 12 111.939 -0.778 11.783 1.00 0.00 H new ATOM 0 HG12 VAL A 12 110.730 -0.043 12.862 1.00 0.00 H new ATOM 0 HG13 VAL A 12 110.217 -1.188 11.600 1.00 0.00 H new ATOM 0 HG21 VAL A 12 112.033 -0.121 9.383 1.00 0.00 H new ATOM 0 HG22 VAL A 12 110.310 -0.524 9.199 1.00 0.00 H new ATOM 0 HG23 VAL A 12 110.899 1.092 8.743 1.00 0.00 H new ATOM 223 N GLU A 13 109.515 2.030 13.261 1.00 0.00 N ATOM 224 CA GLU A 13 109.151 2.059 14.677 1.00 0.00 C ATOM 225 C GLU A 13 107.811 2.755 14.893 1.00 0.00 C ATOM 226 O GLU A 13 107.081 2.442 15.834 1.00 0.00 O ATOM 227 CB GLU A 13 110.238 2.775 15.479 1.00 0.00 C ATOM 228 CG GLU A 13 111.504 1.914 15.503 1.00 0.00 C ATOM 229 CD GLU A 13 112.623 2.655 16.228 1.00 0.00 C ATOM 230 OE1 GLU A 13 112.406 3.796 16.599 1.00 0.00 O ATOM 231 OE2 GLU A 13 113.677 2.068 16.406 1.00 0.00 O ATOM 0 H GLU A 13 110.294 2.638 13.008 1.00 0.00 H new ATOM 0 HA GLU A 13 109.058 1.029 15.021 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.454 3.746 15.033 1.00 0.00 H new ATOM 0 HB3 GLU A 13 109.892 2.961 16.496 1.00 0.00 H new ATOM 0 HG2 GLU A 13 111.300 0.967 16.002 1.00 0.00 H new ATOM 0 HG3 GLU A 13 111.813 1.678 14.485 1.00 0.00 H new ATOM 238 N GLN A 14 107.504 3.706 14.031 1.00 0.00 N ATOM 239 CA GLN A 14 106.258 4.454 14.140 1.00 0.00 C ATOM 240 C GLN A 14 105.086 3.626 13.633 1.00 0.00 C ATOM 241 O GLN A 14 104.254 3.176 14.415 1.00 0.00 O ATOM 242 CB GLN A 14 106.363 5.749 13.328 1.00 0.00 C ATOM 243 CG GLN A 14 105.126 6.628 13.554 1.00 0.00 C ATOM 244 CD GLN A 14 105.093 7.096 15.005 1.00 0.00 C ATOM 245 OE1 GLN A 14 106.133 7.451 15.560 1.00 0.00 O ATOM 246 NE2 GLN A 14 103.962 7.120 15.655 1.00 0.00 N ATOM 0 H GLN A 14 108.097 3.981 13.248 1.00 0.00 H new ATOM 0 HA GLN A 14 106.086 4.691 15.190 1.00 0.00 H new ATOM 0 HB2 GLN A 14 107.261 6.294 13.617 1.00 0.00 H new ATOM 0 HB3 GLN A 14 106.460 5.514 12.268 1.00 0.00 H new ATOM 0 HG2 GLN A 14 105.150 7.487 12.884 1.00 0.00 H new ATOM 0 HG3 GLN A 14 104.221 6.067 13.321 1.00 0.00 H new ATOM 0 HE21 GLN A 14 103.102 6.825 15.193 1.00 0.00 H new ATOM 0 HE22 GLN A 14 103.938 7.433 16.625 1.00 0.00 H new ATOM 255 N LEU A 15 105.009 3.460 12.319 1.00 0.00 N ATOM 256 CA LEU A 15 103.905 2.715 11.728 1.00 0.00 C ATOM 257 C LEU A 15 103.615 1.477 12.570 1.00 0.00 C ATOM 258 O LEU A 15 102.458 1.169 12.851 1.00 0.00 O ATOM 259 CB LEU A 15 104.270 2.299 10.293 1.00 0.00 C ATOM 260 CG LEU A 15 103.018 2.215 9.414 1.00 0.00 C ATOM 261 CD1 LEU A 15 102.004 1.272 10.046 1.00 0.00 C ATOM 262 CD2 LEU A 15 102.397 3.611 9.262 1.00 0.00 C ATOM 0 H LEU A 15 105.687 3.825 11.650 1.00 0.00 H new ATOM 0 HA LEU A 15 103.016 3.345 11.701 1.00 0.00 H new ATOM 0 HB2 LEU A 15 104.970 3.018 9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 15 104.775 1.333 10.307 1.00 0.00 H new ATOM 0 HG LEU A 15 103.298 1.835 8.432 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.116 1.217 9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 15 102.442 0.279 10.143 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.726 1.644 11.032 1.00 0.00 H new ATOM 0 HD21 LEU A 15 101.507 3.547 8.636 1.00 0.00 H new ATOM 0 HD22 LEU A 15 102.123 3.996 10.244 1.00 0.00 H new ATOM 0 HD23 LEU A 15 103.120 4.282 8.798 1.00 0.00 H new ATOM 274 N LYS A 16 104.659 0.781 12.988 1.00 0.00 N ATOM 275 CA LYS A 16 104.467 -0.404 13.810 1.00 0.00 C ATOM 276 C LYS A 16 103.809 -0.044 15.141 1.00 0.00 C ATOM 277 O LYS A 16 102.908 -0.741 15.604 1.00 0.00 O ATOM 278 CB LYS A 16 105.811 -1.087 14.061 1.00 0.00 C ATOM 279 CG LYS A 16 106.277 -1.774 12.778 1.00 0.00 C ATOM 280 CD LYS A 16 107.622 -2.456 13.026 1.00 0.00 C ATOM 281 CE LYS A 16 108.083 -3.161 11.751 1.00 0.00 C ATOM 282 NZ LYS A 16 109.393 -3.825 12.003 1.00 0.00 N ATOM 0 H LYS A 16 105.631 1.009 12.778 1.00 0.00 H new ATOM 0 HA LYS A 16 103.808 -1.089 13.276 1.00 0.00 H new ATOM 0 HB2 LYS A 16 106.550 -0.353 14.383 1.00 0.00 H new ATOM 0 HB3 LYS A 16 105.716 -1.818 14.864 1.00 0.00 H new ATOM 0 HG2 LYS A 16 105.538 -2.508 12.457 1.00 0.00 H new ATOM 0 HG3 LYS A 16 106.370 -1.043 11.975 1.00 0.00 H new ATOM 0 HD2 LYS A 16 108.363 -1.719 13.334 1.00 0.00 H new ATOM 0 HD3 LYS A 16 107.531 -3.176 13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 16 107.342 -3.898 11.441 1.00 0.00 H new ATOM 0 HE3 LYS A 16 108.177 -2.442 10.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 110.113 -3.425 11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 109.678 -3.668 12.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 109.304 -4.846 11.827 1.00 0.00 H new ATOM 296 N GLN A 17 104.269 1.039 15.757 1.00 0.00 N ATOM 297 CA GLN A 17 103.717 1.456 17.042 1.00 0.00 C ATOM 298 C GLN A 17 102.183 1.504 16.969 1.00 0.00 C ATOM 299 O GLN A 17 101.469 0.917 17.799 1.00 0.00 O ATOM 300 CB GLN A 17 104.273 2.841 17.405 1.00 0.00 C ATOM 301 CG GLN A 17 105.026 2.778 18.733 1.00 0.00 C ATOM 302 CD GLN A 17 104.076 2.351 19.845 1.00 0.00 C ATOM 303 OE1 GLN A 17 103.005 2.936 20.008 1.00 0.00 O ATOM 304 NE2 GLN A 17 104.403 1.354 20.621 1.00 0.00 N ATOM 0 H GLN A 17 105.012 1.637 15.395 1.00 0.00 H new ATOM 0 HA GLN A 17 104.004 0.737 17.810 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.940 3.191 16.617 1.00 0.00 H new ATOM 0 HB3 GLN A 17 103.458 3.561 17.475 1.00 0.00 H new ATOM 0 HG2 GLN A 17 105.854 2.073 18.659 1.00 0.00 H new ATOM 0 HG3 GLN A 17 105.457 3.752 18.964 1.00 0.00 H new ATOM 0 HE21 GLN A 17 105.291 0.871 20.484 1.00 0.00 H new ATOM 0 HE22 GLN A 17 103.771 1.058 21.365 1.00 0.00 H new ATOM 313 N ALA A 18 101.672 2.192 15.965 1.00 0.00 N ATOM 314 CA ALA A 18 100.235 2.289 15.806 1.00 0.00 C ATOM 315 C ALA A 18 99.642 0.899 15.618 1.00 0.00 C ATOM 316 O ALA A 18 98.803 0.482 16.387 1.00 0.00 O ATOM 317 CB ALA A 18 99.897 3.188 14.615 1.00 0.00 C ATOM 0 H ALA A 18 102.220 2.684 15.259 1.00 0.00 H new ATOM 0 HA ALA A 18 99.803 2.733 16.703 1.00 0.00 H new ATOM 0 HB1 ALA A 18 98.815 3.254 14.505 1.00 0.00 H new ATOM 0 HB2 ALA A 18 100.306 4.184 14.784 1.00 0.00 H new ATOM 0 HB3 ALA A 18 100.329 2.767 13.707 1.00 0.00 H new ATOM 323 N LEU A 19 100.104 0.206 14.596 1.00 0.00 N ATOM 324 CA LEU A 19 99.591 -1.141 14.321 1.00 0.00 C ATOM 325 C LEU A 19 99.421 -1.909 15.626 1.00 0.00 C ATOM 326 O LEU A 19 98.385 -2.532 15.862 1.00 0.00 O ATOM 327 CB LEU A 19 100.556 -1.885 13.405 1.00 0.00 C ATOM 328 CG LEU A 19 100.043 -1.804 11.965 1.00 0.00 C ATOM 329 CD1 LEU A 19 101.137 -2.247 10.980 1.00 0.00 C ATOM 330 CD2 LEU A 19 98.826 -2.724 11.795 1.00 0.00 C ATOM 0 H LEU A 19 100.819 0.536 13.948 1.00 0.00 H new ATOM 0 HA LEU A 19 98.622 -1.059 13.828 1.00 0.00 H new ATOM 0 HB2 LEU A 19 101.552 -1.448 13.474 1.00 0.00 H new ATOM 0 HB3 LEU A 19 100.642 -2.926 13.716 1.00 0.00 H new ATOM 0 HG LEU A 19 99.764 -0.771 11.757 1.00 0.00 H new ATOM 0 HD11 LEU A 19 100.756 -2.184 9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 19 102.005 -1.596 11.084 1.00 0.00 H new ATOM 0 HD13 LEU A 19 101.426 -3.276 11.196 1.00 0.00 H new ATOM 0 HD21 LEU A 19 98.464 -2.663 10.769 1.00 0.00 H new ATOM 0 HD22 LEU A 19 99.113 -3.752 12.018 1.00 0.00 H new ATOM 0 HD23 LEU A 19 98.036 -2.412 12.477 1.00 0.00 H new ATOM 342 N LYS A 20 100.433 -1.869 16.467 1.00 0.00 N ATOM 343 CA LYS A 20 100.369 -2.576 17.737 1.00 0.00 C ATOM 344 C LYS A 20 99.067 -2.235 18.440 1.00 0.00 C ATOM 345 O LYS A 20 98.478 -3.075 19.121 1.00 0.00 O ATOM 346 CB LYS A 20 101.555 -2.185 18.614 1.00 0.00 C ATOM 347 CG LYS A 20 101.539 -2.999 19.908 1.00 0.00 C ATOM 348 CD LYS A 20 102.710 -2.571 20.787 1.00 0.00 C ATOM 349 CE LYS A 20 102.693 -3.380 22.081 1.00 0.00 C ATOM 350 NZ LYS A 20 103.811 -2.937 22.959 1.00 0.00 N ATOM 0 H LYS A 20 101.302 -1.362 16.301 1.00 0.00 H new ATOM 0 HA LYS A 20 100.409 -3.650 17.554 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.488 -2.358 18.077 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.513 -1.120 18.844 1.00 0.00 H new ATOM 0 HG2 LYS A 20 100.598 -2.846 20.436 1.00 0.00 H new ATOM 0 HG3 LYS A 20 101.608 -4.063 19.683 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.651 -2.727 20.260 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.642 -1.506 21.010 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.740 -3.247 22.593 1.00 0.00 H new ATOM 0 HE3 LYS A 20 102.790 -4.443 21.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 103.799 -3.488 23.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 104.717 -3.086 22.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 103.699 -1.927 23.181 1.00 0.00 H new ATOM 364 N THR A 21 98.618 -1.004 18.267 1.00 0.00 N ATOM 365 CA THR A 21 97.366 -0.572 18.886 1.00 0.00 C ATOM 366 C THR A 21 96.186 -1.412 18.387 1.00 0.00 C ATOM 367 O THR A 21 95.229 -1.657 19.124 1.00 0.00 O ATOM 368 CB THR A 21 97.103 0.908 18.574 1.00 0.00 C ATOM 369 OG1 THR A 21 96.423 1.504 19.672 1.00 0.00 O ATOM 370 CG2 THR A 21 96.254 1.054 17.301 1.00 0.00 C ATOM 0 H THR A 21 99.090 -0.291 17.712 1.00 0.00 H new ATOM 0 HA THR A 21 97.462 -0.708 19.963 1.00 0.00 H new ATOM 0 HB THR A 21 98.058 1.408 18.411 1.00 0.00 H new ATOM 0 HG1 THR A 21 96.254 2.450 19.478 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.080 2.111 17.099 1.00 0.00 H new ATOM 0 HG22 THR A 21 96.781 0.606 16.459 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.298 0.549 17.441 1.00 0.00 H new ATOM 378 N ARG A 22 96.258 -1.838 17.128 1.00 0.00 N ATOM 379 CA ARG A 22 95.187 -2.628 16.531 1.00 0.00 C ATOM 380 C ARG A 22 95.196 -4.045 17.089 1.00 0.00 C ATOM 381 O ARG A 22 94.511 -4.931 16.577 1.00 0.00 O ATOM 382 CB ARG A 22 95.338 -2.669 14.998 1.00 0.00 C ATOM 383 CG ARG A 22 94.606 -1.479 14.358 1.00 0.00 C ATOM 384 CD ARG A 22 93.143 -1.843 14.120 1.00 0.00 C ATOM 385 NE ARG A 22 92.460 -0.737 13.467 1.00 0.00 N ATOM 386 CZ ARG A 22 92.453 -0.621 12.143 1.00 0.00 C ATOM 387 NH1 ARG A 22 91.825 0.375 11.580 1.00 0.00 N ATOM 388 NH2 ARG A 22 93.072 -1.502 11.406 1.00 0.00 N ATOM 0 H ARG A 22 97.043 -1.650 16.505 1.00 0.00 H new ATOM 0 HA ARG A 22 94.236 -2.157 16.780 1.00 0.00 H new ATOM 0 HB2 ARG A 22 96.394 -2.643 14.729 1.00 0.00 H new ATOM 0 HB3 ARG A 22 94.934 -3.604 14.611 1.00 0.00 H new ATOM 0 HG2 ARG A 22 94.673 -0.606 15.008 1.00 0.00 H new ATOM 0 HG3 ARG A 22 95.082 -1.211 13.415 1.00 0.00 H new ATOM 0 HD2 ARG A 22 93.077 -2.739 13.502 1.00 0.00 H new ATOM 0 HD3 ARG A 22 92.657 -2.074 15.068 1.00 0.00 H new ATOM 0 HE ARG A 22 91.979 -0.039 14.034 1.00 0.00 H new ATOM 0 HH11 ARG A 22 91.340 1.063 12.156 1.00 0.00 H new ATOM 0 HH12 ARG A 22 91.819 0.465 10.564 1.00 0.00 H new ATOM 0 HH21 ARG A 22 93.562 -2.281 11.846 1.00 0.00 H new ATOM 0 HH22 ARG A 22 93.066 -1.412 10.390 1.00 0.00 H new ATOM 402 N GLY A 23 95.975 -4.246 18.144 1.00 0.00 N ATOM 403 CA GLY A 23 96.068 -5.566 18.773 1.00 0.00 C ATOM 404 C GLY A 23 97.265 -6.338 18.238 1.00 0.00 C ATOM 405 O GLY A 23 97.584 -7.422 18.722 1.00 0.00 O ATOM 0 H GLY A 23 96.547 -3.524 18.581 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.156 -5.453 19.854 1.00 0.00 H new ATOM 0 HA3 GLY A 23 95.154 -6.128 18.585 1.00 0.00 H new ATOM 409 N VAL A 24 97.923 -5.775 17.232 1.00 0.00 N ATOM 410 CA VAL A 24 99.082 -6.428 16.636 1.00 0.00 C ATOM 411 C VAL A 24 100.262 -6.404 17.601 1.00 0.00 C ATOM 412 O VAL A 24 100.222 -5.707 18.615 1.00 0.00 O ATOM 413 CB VAL A 24 99.478 -5.722 15.337 1.00 0.00 C ATOM 414 CG1 VAL A 24 100.494 -6.564 14.553 1.00 0.00 C ATOM 415 CG2 VAL A 24 98.233 -5.496 14.478 1.00 0.00 C ATOM 0 H VAL A 24 97.677 -4.877 16.815 1.00 0.00 H new ATOM 0 HA VAL A 24 98.816 -7.463 16.420 1.00 0.00 H new ATOM 0 HB VAL A 24 99.935 -4.764 15.586 1.00 0.00 H new ATOM 0 HG11 VAL A 24 100.763 -6.046 13.633 1.00 0.00 H new ATOM 0 HG12 VAL A 24 101.387 -6.714 15.159 1.00 0.00 H new ATOM 0 HG13 VAL A 24 100.054 -7.531 14.309 1.00 0.00 H new ATOM 0 HG21 VAL A 24 98.515 -4.993 13.553 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.774 -6.456 14.243 1.00 0.00 H new ATOM 0 HG23 VAL A 24 97.521 -4.877 15.025 1.00 0.00 H new ATOM 425 N LYS A 25 101.307 -7.166 17.279 1.00 0.00 N ATOM 426 CA LYS A 25 102.489 -7.217 18.127 1.00 0.00 C ATOM 427 C LYS A 25 103.731 -6.837 17.323 1.00 0.00 C ATOM 428 O LYS A 25 103.951 -7.363 16.231 1.00 0.00 O ATOM 429 CB LYS A 25 102.656 -8.622 18.708 1.00 0.00 C ATOM 430 CG LYS A 25 103.754 -8.607 19.772 1.00 0.00 C ATOM 431 CD LYS A 25 103.851 -9.987 20.424 1.00 0.00 C ATOM 432 CE LYS A 25 104.992 -9.995 21.442 1.00 0.00 C ATOM 433 NZ LYS A 25 104.553 -9.317 22.694 1.00 0.00 N ATOM 0 H LYS A 25 101.356 -7.750 16.444 1.00 0.00 H new ATOM 0 HA LYS A 25 102.366 -6.506 18.944 1.00 0.00 H new ATOM 0 HB2 LYS A 25 101.716 -8.960 19.145 1.00 0.00 H new ATOM 0 HB3 LYS A 25 102.912 -9.326 17.916 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.709 -8.338 19.321 1.00 0.00 H new ATOM 0 HG3 LYS A 25 103.534 -7.851 20.526 1.00 0.00 H new ATOM 0 HD2 LYS A 25 102.910 -10.235 20.915 1.00 0.00 H new ATOM 0 HD3 LYS A 25 104.024 -10.748 19.663 1.00 0.00 H new ATOM 0 HE2 LYS A 25 105.292 -11.020 21.658 1.00 0.00 H new ATOM 0 HE3 LYS A 25 105.864 -9.488 21.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 105.319 -9.354 23.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 104.320 -8.325 22.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 103.713 -9.798 23.073 1.00 0.00 H new ATOM 447 N VAL A 26 104.534 -5.917 17.866 1.00 0.00 N ATOM 448 CA VAL A 26 105.747 -5.473 17.184 1.00 0.00 C ATOM 449 C VAL A 26 106.983 -5.754 18.042 1.00 0.00 C ATOM 450 O VAL A 26 107.266 -5.039 19.004 1.00 0.00 O ATOM 451 CB VAL A 26 105.649 -3.973 16.893 1.00 0.00 C ATOM 452 CG1 VAL A 26 104.385 -3.684 16.073 1.00 0.00 C ATOM 453 CG2 VAL A 26 105.583 -3.208 18.216 1.00 0.00 C ATOM 0 H VAL A 26 104.366 -5.470 18.768 1.00 0.00 H new ATOM 0 HA VAL A 26 105.844 -6.023 16.248 1.00 0.00 H new ATOM 0 HB VAL A 26 106.524 -3.656 16.326 1.00 0.00 H new ATOM 0 HG11 VAL A 26 104.320 -2.615 15.869 1.00 0.00 H new ATOM 0 HG12 VAL A 26 104.429 -4.231 15.131 1.00 0.00 H new ATOM 0 HG13 VAL A 26 103.506 -4.000 16.635 1.00 0.00 H new ATOM 0 HG21 VAL A 26 105.513 -2.139 18.015 1.00 0.00 H new ATOM 0 HG22 VAL A 26 104.707 -3.529 18.779 1.00 0.00 H new ATOM 0 HG23 VAL A 26 106.482 -3.410 18.798 1.00 0.00 H new ATOM 463 N LYS A 27 107.711 -6.803 17.679 1.00 0.00 N ATOM 464 CA LYS A 27 108.918 -7.193 18.405 1.00 0.00 C ATOM 465 C LYS A 27 110.167 -6.918 17.575 1.00 0.00 C ATOM 466 O LYS A 27 110.090 -6.701 16.377 1.00 0.00 O ATOM 467 CB LYS A 27 108.866 -8.671 18.775 1.00 0.00 C ATOM 468 CG LYS A 27 108.461 -9.487 17.552 1.00 0.00 C ATOM 469 CD LYS A 27 108.664 -10.972 17.847 1.00 0.00 C ATOM 470 CE LYS A 27 108.034 -11.811 16.731 1.00 0.00 C ATOM 471 NZ LYS A 27 108.268 -13.257 17.004 1.00 0.00 N ATOM 0 H LYS A 27 107.487 -7.402 16.884 1.00 0.00 H new ATOM 0 HA LYS A 27 108.965 -6.597 19.316 1.00 0.00 H new ATOM 0 HB2 LYS A 27 109.839 -9.000 19.139 1.00 0.00 H new ATOM 0 HB3 LYS A 27 108.153 -8.830 19.584 1.00 0.00 H new ATOM 0 HG2 LYS A 27 107.418 -9.294 17.300 1.00 0.00 H new ATOM 0 HG3 LYS A 27 109.057 -9.191 16.689 1.00 0.00 H new ATOM 0 HD2 LYS A 27 109.728 -11.195 17.926 1.00 0.00 H new ATOM 0 HD3 LYS A 27 108.213 -11.227 18.806 1.00 0.00 H new ATOM 0 HE2 LYS A 27 106.964 -11.610 16.670 1.00 0.00 H new ATOM 0 HE3 LYS A 27 108.465 -11.537 15.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 107.840 -13.827 16.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 109.291 -13.442 17.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 107.836 -13.513 17.915 1.00 0.00 H new ATOM 485 N TYR A 28 111.321 -6.930 18.218 1.00 0.00 N ATOM 486 CA TYR A 28 112.573 -6.679 17.509 1.00 0.00 C ATOM 487 C TYR A 28 112.742 -7.674 16.356 1.00 0.00 C ATOM 488 O TYR A 28 113.259 -7.334 15.287 1.00 0.00 O ATOM 489 CB TYR A 28 113.746 -6.801 18.482 1.00 0.00 C ATOM 490 CG TYR A 28 115.031 -6.487 17.760 1.00 0.00 C ATOM 491 CD1 TYR A 28 115.305 -5.172 17.369 1.00 0.00 C ATOM 492 CD2 TYR A 28 115.953 -7.505 17.484 1.00 0.00 C ATOM 493 CE1 TYR A 28 116.499 -4.872 16.701 1.00 0.00 C ATOM 494 CE2 TYR A 28 117.146 -7.207 16.816 1.00 0.00 C ATOM 495 CZ TYR A 28 117.419 -5.890 16.425 1.00 0.00 C ATOM 496 OH TYR A 28 118.595 -5.596 15.766 1.00 0.00 O ATOM 0 H TYR A 28 111.423 -7.108 19.217 1.00 0.00 H new ATOM 0 HA TYR A 28 112.550 -5.671 17.096 1.00 0.00 H new ATOM 0 HB2 TYR A 28 113.610 -6.117 19.320 1.00 0.00 H new ATOM 0 HB3 TYR A 28 113.786 -7.808 18.896 1.00 0.00 H new ATOM 0 HD1 TYR A 28 114.595 -4.387 17.583 1.00 0.00 H new ATOM 0 HD2 TYR A 28 115.743 -8.520 17.787 1.00 0.00 H new ATOM 0 HE1 TYR A 28 116.709 -3.857 16.399 1.00 0.00 H new ATOM 0 HE2 TYR A 28 117.856 -7.992 16.602 1.00 0.00 H new ATOM 0 HH TYR A 28 119.121 -6.415 15.655 1.00 0.00 H new ATOM 506 N ALA A 29 112.296 -8.904 16.585 1.00 0.00 N ATOM 507 CA ALA A 29 112.387 -9.954 15.575 1.00 0.00 C ATOM 508 C ALA A 29 111.635 -9.559 14.309 1.00 0.00 C ATOM 509 O ALA A 29 111.910 -10.071 13.223 1.00 0.00 O ATOM 510 CB ALA A 29 111.830 -11.274 16.112 1.00 0.00 C ATOM 0 H ALA A 29 111.867 -9.200 17.462 1.00 0.00 H new ATOM 0 HA ALA A 29 113.441 -10.087 15.331 1.00 0.00 H new ATOM 0 HB1 ALA A 29 111.908 -12.042 15.342 1.00 0.00 H new ATOM 0 HB2 ALA A 29 112.401 -11.580 16.989 1.00 0.00 H new ATOM 0 HB3 ALA A 29 110.784 -11.142 16.388 1.00 0.00 H new ATOM 516 N ASP A 30 110.686 -8.640 14.458 1.00 0.00 N ATOM 517 CA ASP A 30 109.892 -8.171 13.317 1.00 0.00 C ATOM 518 C ASP A 30 110.732 -7.287 12.413 1.00 0.00 C ATOM 519 O ASP A 30 110.583 -7.320 11.200 1.00 0.00 O ATOM 520 CB ASP A 30 108.664 -7.388 13.794 1.00 0.00 C ATOM 521 CG ASP A 30 107.708 -8.324 14.527 1.00 0.00 C ATOM 522 OD1 ASP A 30 107.937 -9.523 14.485 1.00 0.00 O ATOM 523 OD2 ASP A 30 106.764 -7.830 15.121 1.00 0.00 O ATOM 0 H ASP A 30 110.446 -8.205 15.349 1.00 0.00 H new ATOM 0 HA ASP A 30 109.560 -9.046 12.759 1.00 0.00 H new ATOM 0 HB2 ASP A 30 108.972 -6.577 14.455 1.00 0.00 H new ATOM 0 HB3 ASP A 30 108.159 -6.931 12.943 1.00 0.00 H new ATOM 528 N LEU A 31 111.613 -6.500 13.009 1.00 0.00 N ATOM 529 CA LEU A 31 112.473 -5.614 12.231 1.00 0.00 C ATOM 530 C LEU A 31 113.468 -6.431 11.423 1.00 0.00 C ATOM 531 O LEU A 31 113.764 -6.125 10.281 1.00 0.00 O ATOM 532 CB LEU A 31 113.225 -4.662 13.170 1.00 0.00 C ATOM 533 CG LEU A 31 112.303 -3.529 13.645 1.00 0.00 C ATOM 534 CD1 LEU A 31 111.613 -3.953 14.944 1.00 0.00 C ATOM 535 CD2 LEU A 31 113.132 -2.270 13.899 1.00 0.00 C ATOM 0 H LEU A 31 111.753 -6.454 14.018 1.00 0.00 H new ATOM 0 HA LEU A 31 111.855 -5.031 11.548 1.00 0.00 H new ATOM 0 HB2 LEU A 31 113.603 -5.215 14.030 1.00 0.00 H new ATOM 0 HB3 LEU A 31 114.089 -4.243 12.655 1.00 0.00 H new ATOM 0 HG LEU A 31 111.554 -3.322 12.881 1.00 0.00 H new ATOM 0 HD11 LEU A 31 110.957 -3.152 15.286 1.00 0.00 H new ATOM 0 HD12 LEU A 31 111.025 -4.853 14.766 1.00 0.00 H new ATOM 0 HD13 LEU A 31 112.365 -4.156 15.706 1.00 0.00 H new ATOM 0 HD21 LEU A 31 112.478 -1.466 14.236 1.00 0.00 H new ATOM 0 HD22 LEU A 31 113.880 -2.475 14.665 1.00 0.00 H new ATOM 0 HD23 LEU A 31 113.630 -1.970 12.977 1.00 0.00 H new ATOM 547 N LEU A 32 113.994 -7.474 12.022 1.00 0.00 N ATOM 548 CA LEU A 32 114.971 -8.297 11.324 1.00 0.00 C ATOM 549 C LEU A 32 114.373 -8.916 10.061 1.00 0.00 C ATOM 550 O LEU A 32 115.031 -9.014 9.026 1.00 0.00 O ATOM 551 CB LEU A 32 115.423 -9.420 12.240 1.00 0.00 C ATOM 552 CG LEU A 32 115.830 -8.834 13.603 1.00 0.00 C ATOM 553 CD1 LEU A 32 116.323 -9.953 14.524 1.00 0.00 C ATOM 554 CD2 LEU A 32 116.955 -7.812 13.402 1.00 0.00 C ATOM 0 H LEU A 32 113.772 -7.774 12.971 1.00 0.00 H new ATOM 0 HA LEU A 32 115.810 -7.661 11.042 1.00 0.00 H new ATOM 0 HB2 LEU A 32 114.619 -10.145 12.369 1.00 0.00 H new ATOM 0 HB3 LEU A 32 116.264 -9.952 11.794 1.00 0.00 H new ATOM 0 HG LEU A 32 114.966 -8.348 14.057 1.00 0.00 H new ATOM 0 HD11 LEU A 32 116.610 -9.531 15.487 1.00 0.00 H new ATOM 0 HD12 LEU A 32 115.526 -10.682 14.670 1.00 0.00 H new ATOM 0 HD13 LEU A 32 117.185 -10.443 14.072 1.00 0.00 H new ATOM 0 HD21 LEU A 32 117.245 -7.396 14.367 1.00 0.00 H new ATOM 0 HD22 LEU A 32 117.815 -8.302 12.945 1.00 0.00 H new ATOM 0 HD23 LEU A 32 116.606 -7.010 12.751 1.00 0.00 H new ATOM 566 N LYS A 33 113.130 -9.348 10.166 1.00 0.00 N ATOM 567 CA LYS A 33 112.449 -9.974 9.034 1.00 0.00 C ATOM 568 C LYS A 33 111.809 -8.944 8.119 1.00 0.00 C ATOM 569 O LYS A 33 111.981 -8.989 6.917 1.00 0.00 O ATOM 570 CB LYS A 33 111.365 -10.923 9.536 1.00 0.00 C ATOM 571 CG LYS A 33 110.790 -11.717 8.358 1.00 0.00 C ATOM 572 CD LYS A 33 109.717 -12.683 8.867 1.00 0.00 C ATOM 573 CE LYS A 33 109.128 -13.465 7.690 1.00 0.00 C ATOM 574 NZ LYS A 33 110.194 -14.292 7.057 1.00 0.00 N ATOM 0 H LYS A 33 112.569 -9.280 11.015 1.00 0.00 H new ATOM 0 HA LYS A 33 113.202 -10.522 8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 33 111.780 -11.604 10.279 1.00 0.00 H new ATOM 0 HB3 LYS A 33 110.573 -10.359 10.028 1.00 0.00 H new ATOM 0 HG2 LYS A 33 110.362 -11.037 7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 33 111.584 -12.270 7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 33 110.148 -13.371 9.594 1.00 0.00 H new ATOM 0 HD3 LYS A 33 108.930 -12.130 9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 33 108.315 -14.104 8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 33 108.705 -12.777 6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 109.757 -15.036 6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 110.791 -13.688 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 110.779 -14.730 7.797 1.00 0.00 H new ATOM 588 N PHE A 34 111.064 -8.022 8.697 1.00 0.00 N ATOM 589 CA PHE A 34 110.387 -6.984 7.920 1.00 0.00 C ATOM 590 C PHE A 34 111.371 -6.096 7.160 1.00 0.00 C ATOM 591 O PHE A 34 111.140 -5.733 6.003 1.00 0.00 O ATOM 592 CB PHE A 34 109.540 -6.109 8.856 1.00 0.00 C ATOM 593 CG PHE A 34 108.783 -5.081 8.043 1.00 0.00 C ATOM 594 CD1 PHE A 34 107.694 -5.478 7.259 1.00 0.00 C ATOM 595 CD2 PHE A 34 109.173 -3.737 8.071 1.00 0.00 C ATOM 596 CE1 PHE A 34 106.995 -4.531 6.501 1.00 0.00 C ATOM 597 CE2 PHE A 34 108.474 -2.790 7.314 1.00 0.00 C ATOM 598 CZ PHE A 34 107.384 -3.187 6.528 1.00 0.00 C ATOM 0 H PHE A 34 110.908 -7.965 9.703 1.00 0.00 H new ATOM 0 HA PHE A 34 109.755 -7.486 7.188 1.00 0.00 H new ATOM 0 HB2 PHE A 34 108.842 -6.730 9.417 1.00 0.00 H new ATOM 0 HB3 PHE A 34 110.181 -5.612 9.584 1.00 0.00 H new ATOM 0 HD1 PHE A 34 107.393 -6.515 7.239 1.00 0.00 H new ATOM 0 HD2 PHE A 34 110.013 -3.431 8.677 1.00 0.00 H new ATOM 0 HE1 PHE A 34 106.155 -4.838 5.895 1.00 0.00 H new ATOM 0 HE2 PHE A 34 108.775 -1.753 7.336 1.00 0.00 H new ATOM 0 HZ PHE A 34 106.845 -2.456 5.944 1.00 0.00 H new ATOM 608 N PHE A 35 112.479 -5.784 7.806 1.00 0.00 N ATOM 609 CA PHE A 35 113.500 -4.955 7.180 1.00 0.00 C ATOM 610 C PHE A 35 114.304 -5.771 6.155 1.00 0.00 C ATOM 611 O PHE A 35 114.466 -5.356 5.008 1.00 0.00 O ATOM 612 CB PHE A 35 114.425 -4.393 8.255 1.00 0.00 C ATOM 613 CG PHE A 35 114.993 -3.071 7.797 1.00 0.00 C ATOM 614 CD1 PHE A 35 114.674 -1.909 8.510 1.00 0.00 C ATOM 615 CD2 PHE A 35 115.811 -2.994 6.664 1.00 0.00 C ATOM 616 CE1 PHE A 35 115.173 -0.671 8.090 1.00 0.00 C ATOM 617 CE2 PHE A 35 116.310 -1.756 6.244 1.00 0.00 C ATOM 618 CZ PHE A 35 115.992 -0.594 6.957 1.00 0.00 C ATOM 0 H PHE A 35 112.697 -6.087 8.755 1.00 0.00 H new ATOM 0 HA PHE A 35 113.018 -4.131 6.654 1.00 0.00 H new ATOM 0 HB2 PHE A 35 113.876 -4.261 9.188 1.00 0.00 H new ATOM 0 HB3 PHE A 35 115.233 -5.096 8.457 1.00 0.00 H new ATOM 0 HD1 PHE A 35 114.043 -1.968 9.384 1.00 0.00 H new ATOM 0 HD2 PHE A 35 116.057 -3.890 6.114 1.00 0.00 H new ATOM 0 HE1 PHE A 35 114.926 0.225 8.640 1.00 0.00 H new ATOM 0 HE2 PHE A 35 116.941 -1.697 5.369 1.00 0.00 H new ATOM 0 HZ PHE A 35 116.378 0.361 6.633 1.00 0.00 H new ATOM 628 N ASP A 36 114.811 -6.926 6.586 1.00 0.00 N ATOM 629 CA ASP A 36 115.606 -7.772 5.699 1.00 0.00 C ATOM 630 C ASP A 36 114.762 -8.283 4.529 1.00 0.00 C ATOM 631 O ASP A 36 115.274 -8.521 3.427 1.00 0.00 O ATOM 632 CB ASP A 36 116.179 -8.957 6.467 1.00 0.00 C ATOM 633 CG ASP A 36 117.243 -9.660 5.629 1.00 0.00 C ATOM 634 OD1 ASP A 36 117.965 -10.467 6.190 1.00 0.00 O ATOM 635 OD2 ASP A 36 117.324 -9.379 4.444 1.00 0.00 O ATOM 0 H ASP A 36 114.688 -7.293 7.530 1.00 0.00 H new ATOM 0 HA ASP A 36 116.423 -7.167 5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 36 116.612 -8.616 7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 36 115.382 -9.657 6.719 1.00 0.00 H new ATOM 640 N PHE A 37 113.466 -8.456 4.778 1.00 0.00 N ATOM 641 CA PHE A 37 112.552 -8.946 3.753 1.00 0.00 C ATOM 642 C PHE A 37 112.531 -8.012 2.557 1.00 0.00 C ATOM 643 O PHE A 37 112.671 -8.451 1.418 1.00 0.00 O ATOM 644 CB PHE A 37 111.134 -9.057 4.326 1.00 0.00 C ATOM 645 CG PHE A 37 110.166 -9.356 3.219 1.00 0.00 C ATOM 646 CD1 PHE A 37 109.533 -8.314 2.532 1.00 0.00 C ATOM 647 CD2 PHE A 37 109.896 -10.686 2.875 1.00 0.00 C ATOM 648 CE1 PHE A 37 108.632 -8.601 1.500 1.00 0.00 C ATOM 649 CE2 PHE A 37 108.995 -10.973 1.843 1.00 0.00 C ATOM 650 CZ PHE A 37 108.363 -9.930 1.155 1.00 0.00 C ATOM 0 H PHE A 37 113.027 -8.264 5.679 1.00 0.00 H new ATOM 0 HA PHE A 37 112.900 -9.927 3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 37 111.096 -9.844 5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 37 110.858 -8.127 4.823 1.00 0.00 H new ATOM 0 HD1 PHE A 37 109.740 -7.288 2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 37 110.383 -11.491 3.406 1.00 0.00 H new ATOM 0 HE1 PHE A 37 108.144 -7.796 0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 37 108.787 -11.999 1.577 1.00 0.00 H new ATOM 0 HZ PHE A 37 107.668 -10.151 0.358 1.00 0.00 H new ATOM 660 N VAL A 38 112.358 -6.724 2.818 1.00 0.00 N ATOM 661 CA VAL A 38 112.328 -5.747 1.723 1.00 0.00 C ATOM 662 C VAL A 38 113.692 -5.651 1.050 1.00 0.00 C ATOM 663 O VAL A 38 113.780 -5.472 -0.156 1.00 0.00 O ATOM 664 CB VAL A 38 111.920 -4.369 2.246 1.00 0.00 C ATOM 665 CG1 VAL A 38 110.783 -3.792 1.401 1.00 0.00 C ATOM 666 CG2 VAL A 38 111.465 -4.495 3.687 1.00 0.00 C ATOM 0 H VAL A 38 112.238 -6.332 3.752 1.00 0.00 H new ATOM 0 HA VAL A 38 111.594 -6.085 0.991 1.00 0.00 H new ATOM 0 HB VAL A 38 112.777 -3.699 2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 38 110.505 -2.811 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 38 111.112 -3.695 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 38 109.921 -4.458 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 38 111.173 -3.515 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 38 110.613 -5.173 3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 38 112.281 -4.888 4.293 1.00 0.00 H new ATOM 676 N LYS A 39 114.752 -5.774 1.831 1.00 0.00 N ATOM 677 CA LYS A 39 116.104 -5.696 1.272 1.00 0.00 C ATOM 678 C LYS A 39 116.265 -6.665 0.112 1.00 0.00 C ATOM 679 O LYS A 39 116.988 -6.383 -0.843 1.00 0.00 O ATOM 680 CB LYS A 39 117.124 -6.026 2.353 1.00 0.00 C ATOM 681 CG LYS A 39 117.798 -4.744 2.856 1.00 0.00 C ATOM 682 CD LYS A 39 118.677 -5.070 4.062 1.00 0.00 C ATOM 683 CE LYS A 39 119.440 -3.812 4.486 1.00 0.00 C ATOM 684 NZ LYS A 39 120.331 -4.130 5.637 1.00 0.00 N ATOM 0 H LYS A 39 114.712 -5.926 2.839 1.00 0.00 H new ATOM 0 HA LYS A 39 116.268 -4.683 0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 39 116.634 -6.537 3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 39 117.876 -6.709 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 39 118.400 -4.302 2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 39 117.043 -4.007 3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 39 118.063 -5.432 4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 39 119.377 -5.867 3.812 1.00 0.00 H new ATOM 0 HE2 LYS A 39 120.029 -3.434 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 39 118.738 -3.025 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 120.848 -3.274 5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 119.758 -4.471 6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 121.010 -4.867 5.357 1.00 0.00 H new ATOM 698 N ASP A 40 115.611 -7.812 0.203 1.00 0.00 N ATOM 699 CA ASP A 40 115.716 -8.812 -0.858 1.00 0.00 C ATOM 700 C ASP A 40 115.561 -8.177 -2.243 1.00 0.00 C ATOM 701 O ASP A 40 116.495 -8.194 -3.046 1.00 0.00 O ATOM 702 CB ASP A 40 114.623 -9.861 -0.680 1.00 0.00 C ATOM 703 CG ASP A 40 114.908 -10.702 0.560 1.00 0.00 C ATOM 704 OD1 ASP A 40 114.042 -11.469 0.944 1.00 0.00 O ATOM 705 OD2 ASP A 40 115.990 -10.564 1.107 1.00 0.00 O ATOM 0 H ASP A 40 115.011 -8.075 0.985 1.00 0.00 H new ATOM 0 HA ASP A 40 116.704 -9.268 -0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 40 113.652 -9.375 -0.585 1.00 0.00 H new ATOM 0 HB3 ASP A 40 114.574 -10.501 -1.561 1.00 0.00 H new ATOM 710 N THR A 41 114.380 -7.624 -2.515 1.00 0.00 N ATOM 711 CA THR A 41 114.119 -6.988 -3.808 1.00 0.00 C ATOM 712 C THR A 41 113.954 -5.477 -3.662 1.00 0.00 C ATOM 713 O THR A 41 114.178 -4.722 -4.607 1.00 0.00 O ATOM 714 CB THR A 41 112.857 -7.587 -4.431 1.00 0.00 C ATOM 715 OG1 THR A 41 111.923 -7.891 -3.406 1.00 0.00 O ATOM 716 CG2 THR A 41 113.213 -8.862 -5.192 1.00 0.00 C ATOM 0 H THR A 41 113.594 -7.602 -1.865 1.00 0.00 H new ATOM 0 HA THR A 41 114.975 -7.174 -4.456 1.00 0.00 H new ATOM 0 HB THR A 41 112.419 -6.867 -5.122 1.00 0.00 H new ATOM 0 HG1 THR A 41 111.113 -8.273 -3.804 1.00 0.00 H new ATOM 0 HG21 THR A 41 112.311 -9.286 -5.634 1.00 0.00 H new ATOM 0 HG22 THR A 41 113.928 -8.627 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 41 113.654 -9.584 -4.505 1.00 0.00 H new ATOM 724 N CYS A 42 113.553 -5.047 -2.474 1.00 0.00 N ATOM 725 CA CYS A 42 113.343 -3.629 -2.204 1.00 0.00 C ATOM 726 C CYS A 42 112.317 -3.047 -3.187 1.00 0.00 C ATOM 727 O CYS A 42 112.555 -2.025 -3.832 1.00 0.00 O ATOM 728 CB CYS A 42 114.682 -2.878 -2.297 1.00 0.00 C ATOM 729 SG CYS A 42 115.412 -2.756 -0.648 1.00 0.00 S ATOM 0 H CYS A 42 113.366 -5.659 -1.680 1.00 0.00 H new ATOM 0 HA CYS A 42 112.948 -3.510 -1.195 1.00 0.00 H new ATOM 0 HB2 CYS A 42 115.360 -3.402 -2.970 1.00 0.00 H new ATOM 0 HB3 CYS A 42 114.526 -1.883 -2.713 1.00 0.00 H new ATOM 0 HG CYS A 42 116.546 -2.124 -0.721 1.00 0.00 H new ATOM 735 N PRO A 43 111.184 -3.686 -3.327 1.00 0.00 N ATOM 736 CA PRO A 43 110.125 -3.221 -4.258 1.00 0.00 C ATOM 737 C PRO A 43 109.311 -2.068 -3.690 1.00 0.00 C ATOM 738 O PRO A 43 108.672 -1.322 -4.431 1.00 0.00 O ATOM 739 CB PRO A 43 109.258 -4.455 -4.455 1.00 0.00 C ATOM 740 CG PRO A 43 109.419 -5.253 -3.204 1.00 0.00 C ATOM 741 CD PRO A 43 110.775 -4.912 -2.615 1.00 0.00 C ATOM 0 HA PRO A 43 110.543 -2.830 -5.186 1.00 0.00 H new ATOM 0 HB2 PRO A 43 108.215 -4.181 -4.616 1.00 0.00 H new ATOM 0 HB3 PRO A 43 109.576 -5.024 -5.328 1.00 0.00 H new ATOM 0 HG2 PRO A 43 108.624 -5.020 -2.496 1.00 0.00 H new ATOM 0 HG3 PRO A 43 109.352 -6.320 -3.419 1.00 0.00 H new ATOM 0 HD2 PRO A 43 110.711 -4.745 -1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 43 111.491 -5.720 -2.770 1.00 0.00 H new ATOM 749 N TRP A 44 109.334 -1.933 -2.371 1.00 0.00 N ATOM 750 CA TRP A 44 108.587 -0.871 -1.707 1.00 0.00 C ATOM 751 C TRP A 44 109.217 0.494 -1.965 1.00 0.00 C ATOM 752 O TRP A 44 109.025 1.431 -1.190 1.00 0.00 O ATOM 753 CB TRP A 44 108.526 -1.136 -0.201 1.00 0.00 C ATOM 754 CG TRP A 44 107.100 -1.141 0.249 1.00 0.00 C ATOM 755 CD1 TRP A 44 106.195 -0.174 -0.026 1.00 0.00 C ATOM 756 CD2 TRP A 44 106.403 -2.139 1.051 1.00 0.00 C ATOM 757 NE1 TRP A 44 104.986 -0.515 0.556 1.00 0.00 N ATOM 758 CE2 TRP A 44 105.064 -1.717 1.230 1.00 0.00 C ATOM 759 CE3 TRP A 44 106.799 -3.356 1.635 1.00 0.00 C ATOM 760 CZ2 TRP A 44 104.150 -2.475 1.962 1.00 0.00 C ATOM 761 CZ3 TRP A 44 105.880 -4.123 2.371 1.00 0.00 C ATOM 762 CH2 TRP A 44 104.559 -3.683 2.535 1.00 0.00 C ATOM 0 H TRP A 44 109.858 -2.541 -1.742 1.00 0.00 H new ATOM 0 HA TRP A 44 107.577 -0.864 -2.117 1.00 0.00 H new ATOM 0 HB2 TRP A 44 108.994 -2.093 0.030 1.00 0.00 H new ATOM 0 HB3 TRP A 44 109.085 -0.370 0.336 1.00 0.00 H new ATOM 0 HD1 TRP A 44 106.385 0.718 -0.605 1.00 0.00 H new ATOM 0 HE1 TRP A 44 104.141 0.053 0.494 1.00 0.00 H new ATOM 0 HE3 TRP A 44 107.815 -3.703 1.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 103.134 -2.131 2.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 106.193 -5.057 2.813 1.00 0.00 H new ATOM 0 HH2 TRP A 44 103.858 -4.276 3.103 1.00 0.00 H new ATOM 773 N PHE A 45 109.962 0.599 -3.058 1.00 0.00 N ATOM 774 CA PHE A 45 110.612 1.848 -3.411 1.00 0.00 C ATOM 775 C PHE A 45 111.186 2.522 -2.169 1.00 0.00 C ATOM 776 O PHE A 45 110.632 3.503 -1.670 1.00 0.00 O ATOM 777 CB PHE A 45 109.620 2.788 -4.095 1.00 0.00 C ATOM 778 CG PHE A 45 109.632 2.544 -5.590 1.00 0.00 C ATOM 779 CD1 PHE A 45 108.472 2.099 -6.235 1.00 0.00 C ATOM 780 CD2 PHE A 45 110.804 2.757 -6.325 1.00 0.00 C ATOM 781 CE1 PHE A 45 108.486 1.867 -7.617 1.00 0.00 C ATOM 782 CE2 PHE A 45 110.817 2.526 -7.705 1.00 0.00 C ATOM 783 CZ PHE A 45 109.658 2.081 -8.351 1.00 0.00 C ATOM 0 H PHE A 45 110.129 -0.166 -3.712 1.00 0.00 H new ATOM 0 HA PHE A 45 111.427 1.626 -4.100 1.00 0.00 H new ATOM 0 HB2 PHE A 45 108.618 2.626 -3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 45 109.882 3.825 -3.884 1.00 0.00 H new ATOM 0 HD1 PHE A 45 107.567 1.935 -5.668 1.00 0.00 H new ATOM 0 HD2 PHE A 45 111.699 3.100 -5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 45 107.592 1.523 -8.116 1.00 0.00 H new ATOM 0 HE2 PHE A 45 111.721 2.691 -8.272 1.00 0.00 H new ATOM 0 HZ PHE A 45 109.668 1.903 -9.416 1.00 0.00 H new ATOM 793 N PRO A 46 112.275 2.009 -1.664 1.00 0.00 N ATOM 794 CA PRO A 46 112.932 2.563 -0.453 1.00 0.00 C ATOM 795 C PRO A 46 113.691 3.852 -0.748 1.00 0.00 C ATOM 796 O PRO A 46 114.129 4.545 0.170 1.00 0.00 O ATOM 797 CB PRO A 46 113.882 1.459 -0.008 1.00 0.00 C ATOM 798 CG PRO A 46 114.169 0.644 -1.218 1.00 0.00 C ATOM 799 CD PRO A 46 113.000 0.842 -2.193 1.00 0.00 C ATOM 0 HA PRO A 46 112.206 2.833 0.314 1.00 0.00 H new ATOM 0 HB2 PRO A 46 114.799 1.878 0.405 1.00 0.00 H new ATOM 0 HB3 PRO A 46 113.430 0.849 0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 46 115.108 0.955 -1.676 1.00 0.00 H new ATOM 0 HG3 PRO A 46 114.276 -0.408 -0.955 1.00 0.00 H new ATOM 0 HD2 PRO A 46 113.355 1.021 -3.208 1.00 0.00 H new ATOM 0 HD3 PRO A 46 112.360 -0.040 -2.230 1.00 0.00 H new ATOM 807 N GLN A 47 113.857 4.164 -2.030 1.00 0.00 N ATOM 808 CA GLN A 47 114.582 5.369 -2.409 1.00 0.00 C ATOM 809 C GLN A 47 113.807 6.615 -1.983 1.00 0.00 C ATOM 810 O GLN A 47 114.318 7.448 -1.245 1.00 0.00 O ATOM 811 CB GLN A 47 114.759 5.392 -3.925 1.00 0.00 C ATOM 812 CG GLN A 47 115.643 4.215 -4.359 1.00 0.00 C ATOM 813 CD GLN A 47 115.837 4.228 -5.873 1.00 0.00 C ATOM 814 OE1 GLN A 47 115.364 5.139 -6.553 1.00 0.00 O ATOM 815 NE2 GLN A 47 116.513 3.269 -6.443 1.00 0.00 N ATOM 0 H GLN A 47 113.506 3.609 -2.811 1.00 0.00 H new ATOM 0 HA GLN A 47 115.553 5.366 -1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 47 113.788 5.330 -4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 47 115.213 6.334 -4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 47 116.611 4.275 -3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 47 115.185 3.275 -4.052 1.00 0.00 H new ATOM 0 HE21 GLN A 47 116.904 2.515 -5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 47 116.651 3.273 -7.454 1.00 0.00 H new ATOM 824 N GLU A 48 112.564 6.722 -2.440 1.00 0.00 N ATOM 825 CA GLU A 48 111.720 7.857 -2.070 1.00 0.00 C ATOM 826 C GLU A 48 110.858 7.504 -0.858 1.00 0.00 C ATOM 827 O GLU A 48 110.270 8.376 -0.224 1.00 0.00 O ATOM 828 CB GLU A 48 110.850 8.267 -3.250 1.00 0.00 C ATOM 829 CG GLU A 48 109.837 7.166 -3.548 1.00 0.00 C ATOM 830 CD GLU A 48 109.097 7.473 -4.846 1.00 0.00 C ATOM 831 OE1 GLU A 48 109.745 7.499 -5.880 1.00 0.00 O ATOM 832 OE2 GLU A 48 107.895 7.672 -4.787 1.00 0.00 O ATOM 0 H GLU A 48 112.120 6.045 -3.061 1.00 0.00 H new ATOM 0 HA GLU A 48 112.357 8.700 -1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 48 110.333 9.200 -3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 48 111.472 8.450 -4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 48 110.345 6.205 -3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 48 109.126 7.083 -2.726 1.00 0.00 H new ATOM 839 N GLY A 49 110.778 6.215 -0.549 1.00 0.00 N ATOM 840 CA GLY A 49 109.974 5.759 0.581 1.00 0.00 C ATOM 841 C GLY A 49 108.490 6.031 0.348 1.00 0.00 C ATOM 842 O GLY A 49 107.906 6.908 0.984 1.00 0.00 O ATOM 0 H GLY A 49 111.255 5.472 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 49 110.131 4.691 0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 49 110.301 6.264 1.490 1.00 0.00 H new ATOM 846 N THR A 50 107.891 5.269 -0.567 1.00 0.00 N ATOM 847 CA THR A 50 106.471 5.425 -0.890 1.00 0.00 C ATOM 848 C THR A 50 105.745 4.101 -0.744 1.00 0.00 C ATOM 849 O THR A 50 106.376 3.057 -0.588 1.00 0.00 O ATOM 850 CB THR A 50 106.308 5.931 -2.324 1.00 0.00 C ATOM 851 OG1 THR A 50 104.932 6.143 -2.598 1.00 0.00 O ATOM 852 CG2 THR A 50 106.876 4.900 -3.311 1.00 0.00 C ATOM 0 H THR A 50 108.365 4.538 -1.098 1.00 0.00 H new ATOM 0 HA THR A 50 106.042 6.149 -0.197 1.00 0.00 H new ATOM 0 HB THR A 50 106.851 6.869 -2.436 1.00 0.00 H new ATOM 0 HG1 THR A 50 104.828 6.469 -3.516 1.00 0.00 H new ATOM 0 HG21 THR A 50 106.756 5.268 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 50 107.935 4.743 -3.104 1.00 0.00 H new ATOM 0 HG23 THR A 50 106.341 3.957 -3.200 1.00 0.00 H new ATOM 860 N ILE A 51 104.420 4.152 -0.794 1.00 0.00 N ATOM 861 CA ILE A 51 103.620 2.946 -0.660 1.00 0.00 C ATOM 862 C ILE A 51 102.913 2.649 -1.973 1.00 0.00 C ATOM 863 O ILE A 51 102.464 3.564 -2.664 1.00 0.00 O ATOM 864 CB ILE A 51 102.567 3.129 0.433 1.00 0.00 C ATOM 865 CG1 ILE A 51 103.118 4.047 1.526 1.00 0.00 C ATOM 866 CG2 ILE A 51 102.232 1.766 1.035 1.00 0.00 C ATOM 867 CD1 ILE A 51 102.427 3.764 2.860 1.00 0.00 C ATOM 0 H ILE A 51 103.882 5.009 -0.925 1.00 0.00 H new ATOM 0 HA ILE A 51 104.281 2.120 -0.396 1.00 0.00 H new ATOM 0 HB ILE A 51 101.669 3.575 0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 51 104.193 3.897 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 51 102.966 5.089 1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 51 101.481 1.888 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 51 101.843 1.110 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 51 103.133 1.326 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 51 102.831 4.426 3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 51 101.356 3.937 2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 51 102.601 2.727 3.147 1.00 0.00 H new ATOM 879 N ASP A 52 102.804 1.372 -2.316 1.00 0.00 N ATOM 880 CA ASP A 52 102.130 0.979 -3.546 1.00 0.00 C ATOM 881 C ASP A 52 101.372 -0.329 -3.340 1.00 0.00 C ATOM 882 O ASP A 52 101.960 -1.343 -2.978 1.00 0.00 O ATOM 883 CB ASP A 52 103.159 0.787 -4.647 1.00 0.00 C ATOM 884 CG ASP A 52 102.468 0.444 -5.961 1.00 0.00 C ATOM 885 OD1 ASP A 52 103.149 0.426 -6.973 1.00 0.00 O ATOM 886 OD2 ASP A 52 101.270 0.219 -5.941 1.00 0.00 O ATOM 0 H ASP A 52 103.171 0.596 -1.765 1.00 0.00 H new ATOM 0 HA ASP A 52 101.425 1.762 -3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 52 103.750 1.696 -4.765 1.00 0.00 H new ATOM 0 HB3 ASP A 52 103.851 -0.010 -4.373 1.00 0.00 H new ATOM 891 N ILE A 53 100.069 -0.277 -3.573 1.00 0.00 N ATOM 892 CA ILE A 53 99.206 -1.454 -3.414 1.00 0.00 C ATOM 893 C ILE A 53 99.471 -2.476 -4.516 1.00 0.00 C ATOM 894 O ILE A 53 99.489 -3.679 -4.266 1.00 0.00 O ATOM 895 CB ILE A 53 97.730 -1.050 -3.441 1.00 0.00 C ATOM 896 CG1 ILE A 53 97.520 0.129 -2.475 1.00 0.00 C ATOM 897 CG2 ILE A 53 96.871 -2.249 -2.993 1.00 0.00 C ATOM 898 CD1 ILE A 53 98.076 -0.211 -1.077 1.00 0.00 C ATOM 0 H ILE A 53 99.579 0.566 -3.873 1.00 0.00 H new ATOM 0 HA ILE A 53 99.437 -1.905 -2.449 1.00 0.00 H new ATOM 0 HB ILE A 53 97.439 -0.753 -4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 53 98.017 1.018 -2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 53 96.458 0.363 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 53 95.818 -1.969 -3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 53 97.034 -3.087 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 53 97.153 -2.541 -1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 53 97.919 0.635 -0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 53 97.560 -1.087 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 53 99.143 -0.421 -1.151 1.00 0.00 H new ATOM 910 N LYS A 54 99.651 -1.986 -5.741 1.00 0.00 N ATOM 911 CA LYS A 54 99.887 -2.870 -6.882 1.00 0.00 C ATOM 912 C LYS A 54 101.196 -3.653 -6.735 1.00 0.00 C ATOM 913 O LYS A 54 101.203 -4.887 -6.741 1.00 0.00 O ATOM 914 CB LYS A 54 99.959 -2.035 -8.166 1.00 0.00 C ATOM 915 CG LYS A 54 100.069 -2.961 -9.378 1.00 0.00 C ATOM 916 CD LYS A 54 100.109 -2.128 -10.658 1.00 0.00 C ATOM 917 CE LYS A 54 100.192 -3.061 -11.867 1.00 0.00 C ATOM 918 NZ LYS A 54 100.161 -2.255 -13.120 1.00 0.00 N ATOM 0 H LYS A 54 99.638 -0.992 -5.969 1.00 0.00 H new ATOM 0 HA LYS A 54 99.062 -3.581 -6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 54 99.071 -1.409 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 54 100.819 -1.366 -8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 54 100.969 -3.572 -9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 54 99.221 -3.645 -9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 54 99.218 -1.503 -10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 54 100.968 -1.457 -10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 54 101.108 -3.650 -11.823 1.00 0.00 H new ATOM 0 HE3 LYS A 54 99.360 -3.765 -11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 100.217 -2.889 -13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 99.275 -1.712 -13.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 100.969 -1.600 -13.132 1.00 0.00 H new ATOM 932 N ARG A 55 102.297 -2.926 -6.603 1.00 0.00 N ATOM 933 CA ARG A 55 103.598 -3.563 -6.456 1.00 0.00 C ATOM 934 C ARG A 55 103.650 -4.379 -5.173 1.00 0.00 C ATOM 935 O ARG A 55 104.277 -5.435 -5.129 1.00 0.00 O ATOM 936 CB ARG A 55 104.719 -2.514 -6.460 1.00 0.00 C ATOM 937 CG ARG A 55 104.888 -1.947 -7.866 1.00 0.00 C ATOM 938 CD ARG A 55 105.956 -0.851 -7.842 1.00 0.00 C ATOM 939 NE ARG A 55 106.200 -0.353 -9.192 1.00 0.00 N ATOM 940 CZ ARG A 55 105.418 0.574 -9.736 1.00 0.00 C ATOM 941 NH1 ARG A 55 105.657 1.001 -10.946 1.00 0.00 N ATOM 942 NH2 ARG A 55 104.411 1.057 -9.061 1.00 0.00 N ATOM 0 H ARG A 55 102.316 -1.906 -6.595 1.00 0.00 H new ATOM 0 HA ARG A 55 103.746 -4.232 -7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 55 104.482 -1.712 -5.760 1.00 0.00 H new ATOM 0 HB3 ARG A 55 105.653 -2.965 -6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 55 105.177 -2.738 -8.558 1.00 0.00 H new ATOM 0 HG3 ARG A 55 103.942 -1.541 -8.224 1.00 0.00 H new ATOM 0 HD2 ARG A 55 105.633 -0.033 -7.198 1.00 0.00 H new ATOM 0 HD3 ARG A 55 106.881 -1.244 -7.419 1.00 0.00 H new ATOM 0 HE ARG A 55 106.985 -0.723 -9.728 1.00 0.00 H new ATOM 0 HH11 ARG A 55 106.444 0.623 -11.474 1.00 0.00 H new ATOM 0 HH12 ARG A 55 105.057 1.712 -11.364 1.00 0.00 H new ATOM 0 HH21 ARG A 55 104.224 0.723 -8.116 1.00 0.00 H new ATOM 0 HH22 ARG A 55 103.811 1.768 -9.479 1.00 0.00 H new ATOM 956 N TRP A 56 102.999 -3.882 -4.130 1.00 0.00 N ATOM 957 CA TRP A 56 103.001 -4.579 -2.859 1.00 0.00 C ATOM 958 C TRP A 56 102.428 -5.979 -3.006 1.00 0.00 C ATOM 959 O TRP A 56 102.927 -6.932 -2.405 1.00 0.00 O ATOM 960 CB TRP A 56 102.193 -3.798 -1.826 1.00 0.00 C ATOM 961 CG TRP A 56 101.875 -4.677 -0.658 1.00 0.00 C ATOM 962 CD1 TRP A 56 100.628 -4.894 -0.182 1.00 0.00 C ATOM 963 CD2 TRP A 56 102.776 -5.455 0.181 1.00 0.00 C ATOM 964 NE1 TRP A 56 100.707 -5.757 0.897 1.00 0.00 N ATOM 965 CE2 TRP A 56 102.009 -6.131 1.160 1.00 0.00 C ATOM 966 CE3 TRP A 56 104.171 -5.639 0.189 1.00 0.00 C ATOM 967 CZ2 TRP A 56 102.604 -6.959 2.112 1.00 0.00 C ATOM 968 CZ3 TRP A 56 104.773 -6.471 1.147 1.00 0.00 C ATOM 969 CH2 TRP A 56 103.991 -7.131 2.106 1.00 0.00 C ATOM 0 H TRP A 56 102.470 -3.010 -4.141 1.00 0.00 H new ATOM 0 HA TRP A 56 104.034 -4.660 -2.521 1.00 0.00 H new ATOM 0 HB2 TRP A 56 102.757 -2.927 -1.494 1.00 0.00 H new ATOM 0 HB3 TRP A 56 101.271 -3.429 -2.276 1.00 0.00 H new ATOM 0 HD1 TRP A 56 99.720 -4.465 -0.579 1.00 0.00 H new ATOM 0 HE1 TRP A 56 99.901 -6.078 1.433 1.00 0.00 H new ATOM 0 HE3 TRP A 56 104.783 -5.137 -0.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 101.997 -7.464 2.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 105.845 -6.603 1.145 1.00 0.00 H new ATOM 0 HH2 TRP A 56 104.460 -7.771 2.839 1.00 0.00 H new ATOM 980 N ARG A 57 101.374 -6.093 -3.800 1.00 0.00 N ATOM 981 CA ARG A 57 100.727 -7.378 -4.017 1.00 0.00 C ATOM 982 C ARG A 57 101.678 -8.326 -4.739 1.00 0.00 C ATOM 983 O ARG A 57 101.722 -9.519 -4.441 1.00 0.00 O ATOM 984 CB ARG A 57 99.445 -7.199 -4.843 1.00 0.00 C ATOM 985 CG ARG A 57 98.723 -8.541 -4.979 1.00 0.00 C ATOM 986 CD ARG A 57 97.462 -8.355 -5.820 1.00 0.00 C ATOM 987 NE ARG A 57 96.696 -9.594 -5.853 1.00 0.00 N ATOM 988 CZ ARG A 57 96.971 -10.544 -6.740 1.00 0.00 C ATOM 989 NH1 ARG A 57 96.270 -11.646 -6.756 1.00 0.00 N ATOM 990 NH2 ARG A 57 97.940 -10.374 -7.597 1.00 0.00 N ATOM 0 H ARG A 57 100.950 -5.314 -4.303 1.00 0.00 H new ATOM 0 HA ARG A 57 100.465 -7.803 -3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 57 98.791 -6.471 -4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 57 99.689 -6.806 -5.830 1.00 0.00 H new ATOM 0 HG2 ARG A 57 99.380 -9.274 -5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 57 98.463 -8.928 -3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 57 96.853 -7.553 -5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 57 97.732 -8.058 -6.833 1.00 0.00 H new ATOM 0 HE ARG A 57 95.938 -9.734 -5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 57 95.511 -11.777 -6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 57 96.481 -12.375 -7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 57 98.486 -9.512 -7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 57 98.152 -11.103 -8.278 1.00 0.00 H new ATOM 1004 N ARG A 58 102.430 -7.793 -5.702 1.00 0.00 N ATOM 1005 CA ARG A 58 103.363 -8.622 -6.462 1.00 0.00 C ATOM 1006 C ARG A 58 104.384 -9.289 -5.546 1.00 0.00 C ATOM 1007 O ARG A 58 104.546 -10.504 -5.567 1.00 0.00 O ATOM 1008 CB ARG A 58 104.110 -7.765 -7.483 1.00 0.00 C ATOM 1009 CG ARG A 58 103.166 -7.369 -8.617 1.00 0.00 C ATOM 1010 CD ARG A 58 103.922 -6.518 -9.639 1.00 0.00 C ATOM 1011 NE ARG A 58 103.016 -6.074 -10.692 1.00 0.00 N ATOM 1012 CZ ARG A 58 102.727 -6.851 -11.729 1.00 0.00 C ATOM 1013 NH1 ARG A 58 101.911 -6.426 -12.655 1.00 0.00 N ATOM 1014 NH2 ARG A 58 103.259 -8.039 -11.824 1.00 0.00 N ATOM 0 H ARG A 58 102.413 -6.809 -5.970 1.00 0.00 H new ATOM 0 HA ARG A 58 102.782 -9.394 -6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 58 104.508 -6.872 -7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 58 104.961 -8.317 -7.882 1.00 0.00 H new ATOM 0 HG2 ARG A 58 102.764 -8.261 -9.097 1.00 0.00 H new ATOM 0 HG3 ARG A 58 102.318 -6.811 -8.220 1.00 0.00 H new ATOM 0 HD2 ARG A 58 104.369 -5.655 -9.145 1.00 0.00 H new ATOM 0 HD3 ARG A 58 104.739 -7.096 -10.071 1.00 0.00 H new ATOM 0 HE ARG A 58 102.595 -5.147 -10.630 1.00 0.00 H new ATOM 0 HH11 ARG A 58 101.496 -5.497 -12.582 1.00 0.00 H new ATOM 0 HH12 ARG A 58 101.689 -7.023 -13.452 1.00 0.00 H new ATOM 0 HH21 ARG A 58 103.897 -8.371 -11.101 1.00 0.00 H new ATOM 0 HH22 ARG A 58 103.036 -8.635 -12.621 1.00 0.00 H new ATOM 1028 N VAL A 59 105.056 -8.490 -4.731 1.00 0.00 N ATOM 1029 CA VAL A 59 106.047 -9.028 -3.801 1.00 0.00 C ATOM 1030 C VAL A 59 105.383 -9.935 -2.772 1.00 0.00 C ATOM 1031 O VAL A 59 105.954 -10.940 -2.364 1.00 0.00 O ATOM 1032 CB VAL A 59 106.774 -7.884 -3.088 1.00 0.00 C ATOM 1033 CG1 VAL A 59 105.757 -6.936 -2.465 1.00 0.00 C ATOM 1034 CG2 VAL A 59 107.658 -8.451 -1.982 1.00 0.00 C ATOM 0 H VAL A 59 104.938 -7.478 -4.691 1.00 0.00 H new ATOM 0 HA VAL A 59 106.768 -9.615 -4.370 1.00 0.00 H new ATOM 0 HB VAL A 59 107.384 -7.346 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 59 106.279 -6.124 -1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 59 105.117 -6.525 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 59 105.147 -7.480 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 59 108.175 -7.636 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 59 107.041 -8.991 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 59 108.391 -9.132 -2.415 1.00 0.00 H new ATOM 1044 N GLY A 60 104.179 -9.572 -2.353 1.00 0.00 N ATOM 1045 CA GLY A 60 103.465 -10.370 -1.363 1.00 0.00 C ATOM 1046 C GLY A 60 103.164 -11.774 -1.879 1.00 0.00 C ATOM 1047 O GLY A 60 103.496 -12.763 -1.233 1.00 0.00 O ATOM 0 H GLY A 60 103.681 -8.743 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 60 104.060 -10.437 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 60 102.532 -9.872 -1.098 1.00 0.00 H new ATOM 1051 N ASP A 61 102.520 -11.851 -3.038 1.00 0.00 N ATOM 1052 CA ASP A 61 102.168 -13.144 -3.623 1.00 0.00 C ATOM 1053 C ASP A 61 103.410 -13.878 -4.124 1.00 0.00 C ATOM 1054 O ASP A 61 103.503 -15.099 -4.026 1.00 0.00 O ATOM 1055 CB ASP A 61 101.196 -12.941 -4.789 1.00 0.00 C ATOM 1056 CG ASP A 61 99.758 -12.848 -4.277 1.00 0.00 C ATOM 1057 OD1 ASP A 61 98.875 -12.619 -5.088 1.00 0.00 O ATOM 1058 OD2 ASP A 61 99.566 -12.986 -3.080 1.00 0.00 O ATOM 0 H ASP A 61 102.232 -11.042 -3.589 1.00 0.00 H new ATOM 0 HA ASP A 61 101.696 -13.747 -2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 61 101.455 -12.032 -5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 61 101.285 -13.769 -5.493 1.00 0.00 H new ATOM 1063 N CYS A 62 104.350 -13.122 -4.665 1.00 0.00 N ATOM 1064 CA CYS A 62 105.586 -13.709 -5.183 1.00 0.00 C ATOM 1065 C CYS A 62 106.395 -14.380 -4.071 1.00 0.00 C ATOM 1066 O CYS A 62 106.943 -15.471 -4.253 1.00 0.00 O ATOM 1067 CB CYS A 62 106.445 -12.631 -5.848 1.00 0.00 C ATOM 1068 SG CYS A 62 105.666 -12.090 -7.389 1.00 0.00 S ATOM 0 H CYS A 62 104.288 -12.108 -4.759 1.00 0.00 H new ATOM 0 HA CYS A 62 105.308 -14.466 -5.916 1.00 0.00 H new ATOM 0 HB2 CYS A 62 106.567 -11.783 -5.174 1.00 0.00 H new ATOM 0 HB3 CYS A 62 107.442 -13.022 -6.052 1.00 0.00 H new ATOM 0 HG CYS A 62 104.724 -11.235 -7.122 1.00 0.00 H new ATOM 1074 N PHE A 63 106.444 -13.741 -2.910 1.00 0.00 N ATOM 1075 CA PHE A 63 107.168 -14.300 -1.780 1.00 0.00 C ATOM 1076 C PHE A 63 106.304 -15.280 -1.000 1.00 0.00 C ATOM 1077 O PHE A 63 106.747 -16.365 -0.654 1.00 0.00 O ATOM 1078 CB PHE A 63 107.633 -13.181 -0.855 1.00 0.00 C ATOM 1079 CG PHE A 63 108.935 -12.612 -1.373 1.00 0.00 C ATOM 1080 CD1 PHE A 63 110.120 -12.834 -0.660 1.00 0.00 C ATOM 1081 CD2 PHE A 63 108.960 -11.865 -2.556 1.00 0.00 C ATOM 1082 CE1 PHE A 63 111.329 -12.309 -1.132 1.00 0.00 C ATOM 1083 CE2 PHE A 63 110.168 -11.340 -3.028 1.00 0.00 C ATOM 1084 CZ PHE A 63 111.354 -11.563 -2.317 1.00 0.00 C ATOM 0 H PHE A 63 105.995 -12.843 -2.728 1.00 0.00 H new ATOM 0 HA PHE A 63 108.032 -14.839 -2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 63 106.876 -12.398 -0.803 1.00 0.00 H new ATOM 0 HB3 PHE A 63 107.767 -13.562 0.157 1.00 0.00 H new ATOM 0 HD1 PHE A 63 110.101 -13.410 0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 63 108.046 -11.694 -3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 63 112.243 -12.479 -0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 63 110.186 -10.763 -3.941 1.00 0.00 H new ATOM 0 HZ PHE A 63 112.287 -11.160 -2.682 1.00 0.00 H new ATOM 1094 N GLN A 64 105.071 -14.891 -0.719 1.00 0.00 N ATOM 1095 CA GLN A 64 104.168 -15.749 0.033 1.00 0.00 C ATOM 1096 C GLN A 64 103.939 -17.060 -0.695 1.00 0.00 C ATOM 1097 O GLN A 64 103.663 -18.083 -0.072 1.00 0.00 O ATOM 1098 CB GLN A 64 102.831 -15.036 0.253 1.00 0.00 C ATOM 1099 CG GLN A 64 101.932 -15.883 1.158 1.00 0.00 C ATOM 1100 CD GLN A 64 100.606 -15.167 1.394 1.00 0.00 C ATOM 1101 OE1 GLN A 64 100.543 -13.938 1.355 1.00 0.00 O ATOM 1102 NE2 GLN A 64 99.532 -15.870 1.632 1.00 0.00 N ATOM 0 H GLN A 64 104.674 -13.994 -0.997 1.00 0.00 H new ATOM 0 HA GLN A 64 104.625 -15.965 0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 64 103.000 -14.059 0.705 1.00 0.00 H new ATOM 0 HB3 GLN A 64 102.339 -14.863 -0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 64 101.753 -16.855 0.699 1.00 0.00 H new ATOM 0 HG3 GLN A 64 102.430 -16.067 2.110 1.00 0.00 H new ATOM 0 HE21 GLN A 64 99.586 -16.888 1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 64 98.639 -15.401 1.786 1.00 0.00 H new ATOM 1111 N ASP A 65 104.055 -17.029 -2.015 1.00 0.00 N ATOM 1112 CA ASP A 65 103.861 -18.228 -2.813 1.00 0.00 C ATOM 1113 C ASP A 65 105.078 -19.142 -2.726 1.00 0.00 C ATOM 1114 O ASP A 65 104.967 -20.296 -2.320 1.00 0.00 O ATOM 1115 CB ASP A 65 103.632 -17.840 -4.264 1.00 0.00 C ATOM 1116 CG ASP A 65 103.632 -19.085 -5.144 1.00 0.00 C ATOM 1117 OD1 ASP A 65 103.543 -20.171 -4.597 1.00 0.00 O ATOM 1118 OD2 ASP A 65 103.727 -18.934 -6.350 1.00 0.00 O ATOM 0 H ASP A 65 104.281 -16.192 -2.552 1.00 0.00 H new ATOM 0 HA ASP A 65 102.993 -18.762 -2.426 1.00 0.00 H new ATOM 0 HB2 ASP A 65 102.682 -17.315 -4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 65 104.412 -17.153 -4.592 1.00 0.00 H new ATOM 1123 N TYR A 66 106.241 -18.618 -3.112 1.00 0.00 N ATOM 1124 CA TYR A 66 107.471 -19.407 -3.065 1.00 0.00 C ATOM 1125 C TYR A 66 107.841 -19.782 -1.631 1.00 0.00 C ATOM 1126 O TYR A 66 108.291 -20.894 -1.362 1.00 0.00 O ATOM 1127 CB TYR A 66 108.618 -18.624 -3.703 1.00 0.00 C ATOM 1128 CG TYR A 66 108.613 -18.842 -5.197 1.00 0.00 C ATOM 1129 CD1 TYR A 66 109.492 -19.771 -5.765 1.00 0.00 C ATOM 1130 CD2 TYR A 66 107.736 -18.117 -6.013 1.00 0.00 C ATOM 1131 CE1 TYR A 66 109.495 -19.976 -7.151 1.00 0.00 C ATOM 1132 CE2 TYR A 66 107.738 -18.323 -7.398 1.00 0.00 C ATOM 1133 CZ TYR A 66 108.617 -19.252 -7.967 1.00 0.00 C ATOM 1134 OH TYR A 66 108.620 -19.454 -9.332 1.00 0.00 O ATOM 0 H TYR A 66 106.357 -17.665 -3.456 1.00 0.00 H new ATOM 0 HA TYR A 66 107.298 -20.327 -3.623 1.00 0.00 H new ATOM 0 HB2 TYR A 66 108.514 -17.562 -3.480 1.00 0.00 H new ATOM 0 HB3 TYR A 66 109.570 -18.947 -3.282 1.00 0.00 H new ATOM 0 HD1 TYR A 66 110.168 -20.330 -5.135 1.00 0.00 H new ATOM 0 HD2 TYR A 66 107.058 -17.399 -5.574 1.00 0.00 H new ATOM 0 HE1 TYR A 66 110.174 -20.692 -7.590 1.00 0.00 H new ATOM 0 HE2 TYR A 66 107.061 -17.765 -8.028 1.00 0.00 H new ATOM 0 HH TYR A 66 107.950 -18.873 -9.750 1.00 0.00 H new ATOM 1144 N TYR A 67 107.666 -18.843 -0.719 1.00 0.00 N ATOM 1145 CA TYR A 67 107.995 -19.080 0.682 1.00 0.00 C ATOM 1146 C TYR A 67 107.126 -20.191 1.266 1.00 0.00 C ATOM 1147 O TYR A 67 107.624 -21.096 1.935 1.00 0.00 O ATOM 1148 CB TYR A 67 107.786 -17.799 1.491 1.00 0.00 C ATOM 1149 CG TYR A 67 108.385 -17.966 2.861 1.00 0.00 C ATOM 1150 CD1 TYR A 67 107.558 -18.088 3.984 1.00 0.00 C ATOM 1151 CD2 TYR A 67 109.777 -17.996 3.009 1.00 0.00 C ATOM 1152 CE1 TYR A 67 108.122 -18.241 5.255 1.00 0.00 C ATOM 1153 CE2 TYR A 67 110.341 -18.150 4.281 1.00 0.00 C ATOM 1154 CZ TYR A 67 109.514 -18.272 5.404 1.00 0.00 C ATOM 1155 OH TYR A 67 110.071 -18.424 6.657 1.00 0.00 O ATOM 0 H TYR A 67 107.300 -17.912 -0.918 1.00 0.00 H new ATOM 0 HA TYR A 67 109.040 -19.385 0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 67 108.249 -16.955 0.981 1.00 0.00 H new ATOM 0 HB3 TYR A 67 106.722 -17.577 1.572 1.00 0.00 H new ATOM 0 HD1 TYR A 67 106.484 -18.064 3.869 1.00 0.00 H new ATOM 0 HD2 TYR A 67 110.415 -17.900 2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 67 107.484 -18.335 6.121 1.00 0.00 H new ATOM 0 HE2 TYR A 67 111.415 -18.175 4.396 1.00 0.00 H new ATOM 0 HH TYR A 67 111.048 -18.426 6.583 1.00 0.00 H new ATOM 1165 N ASN A 68 105.824 -20.111 1.015 1.00 0.00 N ATOM 1166 CA ASN A 68 104.895 -21.113 1.526 1.00 0.00 C ATOM 1167 C ASN A 68 105.187 -22.485 0.914 1.00 0.00 C ATOM 1168 O ASN A 68 105.100 -23.508 1.593 1.00 0.00 O ATOM 1169 CB ASN A 68 103.457 -20.715 1.189 1.00 0.00 C ATOM 1170 CG ASN A 68 103.014 -19.580 2.095 1.00 0.00 C ATOM 1171 OD1 ASN A 68 103.745 -19.199 3.009 1.00 0.00 O ATOM 1172 ND2 ASN A 68 101.853 -19.016 1.907 1.00 0.00 N ATOM 0 H ASN A 68 105.390 -19.369 0.465 1.00 0.00 H new ATOM 0 HA ASN A 68 105.020 -21.169 2.607 1.00 0.00 H new ATOM 0 HB2 ASN A 68 103.390 -20.407 0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.794 -21.571 1.312 1.00 0.00 H new ATOM 0 HD21 ASN A 68 101.549 -18.258 2.518 1.00 0.00 H new ATOM 0 HD22 ASN A 68 101.249 -19.333 1.149 1.00 0.00 H new ATOM 1179 N THR A 69 105.521 -22.501 -0.376 1.00 0.00 N ATOM 1180 CA THR A 69 105.806 -23.759 -1.064 1.00 0.00 C ATOM 1181 C THR A 69 106.946 -24.485 -0.373 1.00 0.00 C ATOM 1182 O THR A 69 107.051 -25.709 -0.462 1.00 0.00 O ATOM 1183 CB THR A 69 106.161 -23.491 -2.537 1.00 0.00 C ATOM 1184 OG1 THR A 69 107.245 -22.580 -2.604 1.00 0.00 O ATOM 1185 CG2 THR A 69 104.958 -22.887 -3.257 1.00 0.00 C ATOM 0 H THR A 69 105.600 -21.668 -0.959 1.00 0.00 H new ATOM 0 HA THR A 69 104.917 -24.388 -1.028 1.00 0.00 H new ATOM 0 HB THR A 69 106.437 -24.431 -3.014 1.00 0.00 H new ATOM 0 HG1 THR A 69 107.477 -22.281 -1.700 1.00 0.00 H new ATOM 0 HG21 THR A 69 105.215 -22.699 -4.300 1.00 0.00 H new ATOM 0 HG22 THR A 69 104.119 -23.581 -3.209 1.00 0.00 H new ATOM 0 HG23 THR A 69 104.680 -21.949 -2.777 1.00 0.00 H new ATOM 1193 N PHE A 70 107.789 -23.728 0.322 1.00 0.00 N ATOM 1194 CA PHE A 70 108.914 -24.317 1.035 1.00 0.00 C ATOM 1195 C PHE A 70 108.751 -24.116 2.533 1.00 0.00 C ATOM 1196 O PHE A 70 109.661 -24.396 3.311 1.00 0.00 O ATOM 1197 CB PHE A 70 110.233 -23.688 0.571 1.00 0.00 C ATOM 1198 CG PHE A 70 110.418 -23.920 -0.915 1.00 0.00 C ATOM 1199 CD1 PHE A 70 110.494 -25.225 -1.414 1.00 0.00 C ATOM 1200 CD2 PHE A 70 110.507 -22.830 -1.788 1.00 0.00 C ATOM 1201 CE1 PHE A 70 110.660 -25.441 -2.787 1.00 0.00 C ATOM 1202 CE2 PHE A 70 110.673 -23.045 -3.162 1.00 0.00 C ATOM 1203 CZ PHE A 70 110.749 -24.351 -3.661 1.00 0.00 C ATOM 0 H PHE A 70 107.715 -22.714 0.406 1.00 0.00 H new ATOM 0 HA PHE A 70 108.936 -25.385 0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 70 110.231 -22.619 0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 70 111.067 -24.122 1.123 1.00 0.00 H new ATOM 0 HD1 PHE A 70 110.425 -26.066 -0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 70 110.448 -21.823 -1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 70 110.719 -26.448 -3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 70 110.742 -22.204 -3.836 1.00 0.00 H new ATOM 0 HZ PHE A 70 110.876 -24.518 -4.720 1.00 0.00 H new ATOM 1213 N GLY A 71 107.589 -23.619 2.925 1.00 0.00 N ATOM 1214 CA GLY A 71 107.320 -23.373 4.328 1.00 0.00 C ATOM 1215 C GLY A 71 105.833 -23.551 4.644 1.00 0.00 C ATOM 1216 O GLY A 71 105.106 -24.193 3.888 1.00 0.00 O ATOM 0 H GLY A 71 106.823 -23.380 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 71 107.909 -24.056 4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 71 107.632 -22.362 4.589 1.00 0.00 H new ATOM 1220 N PRO A 72 105.378 -22.994 5.739 1.00 0.00 N ATOM 1221 CA PRO A 72 103.951 -23.086 6.176 1.00 0.00 C ATOM 1222 C PRO A 72 103.011 -22.378 5.197 1.00 0.00 C ATOM 1223 O PRO A 72 103.338 -21.309 4.677 1.00 0.00 O ATOM 1224 CB PRO A 72 103.932 -22.381 7.549 1.00 0.00 C ATOM 1225 CG PRO A 72 105.355 -22.249 7.966 1.00 0.00 C ATOM 1226 CD PRO A 72 106.170 -22.206 6.672 1.00 0.00 C ATOM 0 HA PRO A 72 103.606 -24.119 6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.454 -21.404 7.479 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.365 -22.961 8.277 1.00 0.00 H new ATOM 0 HG2 PRO A 72 105.507 -21.344 8.554 1.00 0.00 H new ATOM 0 HG3 PRO A 72 105.658 -23.089 8.591 1.00 0.00 H new ATOM 0 HD2 PRO A 72 106.306 -21.184 6.318 1.00 0.00 H new ATOM 0 HD3 PRO A 72 107.164 -22.630 6.811 1.00 0.00 H new ATOM 1234 N GLU A 73 101.840 -22.966 4.951 1.00 0.00 N ATOM 1235 CA GLU A 73 100.882 -22.368 4.044 1.00 0.00 C ATOM 1236 C GLU A 73 100.074 -21.299 4.769 1.00 0.00 C ATOM 1237 O GLU A 73 99.728 -20.265 4.195 1.00 0.00 O ATOM 1238 CB GLU A 73 99.939 -23.453 3.512 1.00 0.00 C ATOM 1239 CG GLU A 73 99.004 -22.852 2.463 1.00 0.00 C ATOM 1240 CD GLU A 73 98.087 -23.934 1.899 1.00 0.00 C ATOM 1241 OE1 GLU A 73 97.084 -23.579 1.302 1.00 0.00 O ATOM 1242 OE2 GLU A 73 98.402 -25.100 2.071 1.00 0.00 O ATOM 0 H GLU A 73 101.541 -23.848 5.367 1.00 0.00 H new ATOM 0 HA GLU A 73 101.415 -21.907 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.516 -24.268 3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 73 99.358 -23.877 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 73 98.409 -22.055 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 73 99.587 -22.403 1.659 1.00 0.00 H new ATOM 1249 N LYS A 74 99.765 -21.568 6.037 1.00 0.00 N ATOM 1250 CA LYS A 74 98.976 -20.635 6.833 1.00 0.00 C ATOM 1251 C LYS A 74 99.789 -19.419 7.185 1.00 0.00 C ATOM 1252 O LYS A 74 99.311 -18.297 7.048 1.00 0.00 O ATOM 1253 CB LYS A 74 98.483 -21.296 8.118 1.00 0.00 C ATOM 1254 CG LYS A 74 98.142 -22.762 7.829 1.00 0.00 C ATOM 1255 CD LYS A 74 97.208 -22.848 6.622 1.00 0.00 C ATOM 1256 CE LYS A 74 96.496 -24.196 6.631 1.00 0.00 C ATOM 1257 NZ LYS A 74 95.577 -24.273 5.463 1.00 0.00 N ATOM 0 H LYS A 74 100.047 -22.416 6.529 1.00 0.00 H new ATOM 0 HA LYS A 74 98.117 -20.335 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 74 99.249 -21.233 8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 74 97.605 -20.773 8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.055 -23.326 7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 74 97.668 -23.213 8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 74 96.479 -22.038 6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 74 97.776 -22.730 5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 74 97.225 -25.006 6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 74 95.936 -24.319 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 95.089 -25.191 5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 94.875 -23.508 5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 96.124 -24.174 4.584 1.00 0.00 H new ATOM 1271 N VAL A 75 101.019 -19.666 7.627 1.00 0.00 N ATOM 1272 CA VAL A 75 101.950 -18.610 8.004 1.00 0.00 C ATOM 1273 C VAL A 75 101.265 -17.515 8.853 1.00 0.00 C ATOM 1274 O VAL A 75 100.043 -17.473 8.983 1.00 0.00 O ATOM 1275 CB VAL A 75 102.577 -17.963 6.750 1.00 0.00 C ATOM 1276 CG1 VAL A 75 104.073 -18.328 6.631 1.00 0.00 C ATOM 1277 CG2 VAL A 75 101.896 -18.423 5.452 1.00 0.00 C ATOM 0 H VAL A 75 101.398 -20.607 7.734 1.00 0.00 H new ATOM 0 HA VAL A 75 102.730 -19.075 8.606 1.00 0.00 H new ATOM 0 HB VAL A 75 102.443 -16.888 6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 75 104.492 -17.860 5.740 1.00 0.00 H new ATOM 0 HG12 VAL A 75 104.606 -17.971 7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 75 104.179 -19.410 6.556 1.00 0.00 H new ATOM 0 HG21 VAL A 75 102.373 -17.940 4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 75 101.990 -19.505 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 75 100.841 -18.152 5.479 1.00 0.00 H new ATOM 1287 N PRO A 76 102.008 -16.611 9.430 1.00 0.00 N ATOM 1288 CA PRO A 76 101.389 -15.522 10.230 1.00 0.00 C ATOM 1289 C PRO A 76 100.391 -14.712 9.396 1.00 0.00 C ATOM 1290 O PRO A 76 100.730 -14.176 8.340 1.00 0.00 O ATOM 1291 CB PRO A 76 102.586 -14.658 10.636 1.00 0.00 C ATOM 1292 CG PRO A 76 103.776 -15.547 10.530 1.00 0.00 C ATOM 1293 CD PRO A 76 103.475 -16.527 9.421 1.00 0.00 C ATOM 0 HA PRO A 76 100.820 -15.897 11.081 1.00 0.00 H new ATOM 0 HB2 PRO A 76 102.684 -13.792 9.981 1.00 0.00 H new ATOM 0 HB3 PRO A 76 102.469 -14.279 11.651 1.00 0.00 H new ATOM 0 HG2 PRO A 76 104.674 -14.970 10.306 1.00 0.00 H new ATOM 0 HG3 PRO A 76 103.958 -16.068 11.470 1.00 0.00 H new ATOM 0 HD2 PRO A 76 103.851 -16.175 8.461 1.00 0.00 H new ATOM 0 HD3 PRO A 76 103.934 -17.498 9.607 1.00 0.00 H new ATOM 1301 N VAL A 77 99.167 -14.620 9.892 1.00 0.00 N ATOM 1302 CA VAL A 77 98.113 -13.862 9.212 1.00 0.00 C ATOM 1303 C VAL A 77 98.174 -12.385 9.580 1.00 0.00 C ATOM 1304 O VAL A 77 97.550 -11.553 8.931 1.00 0.00 O ATOM 1305 CB VAL A 77 96.741 -14.441 9.554 1.00 0.00 C ATOM 1306 CG1 VAL A 77 95.659 -13.689 8.768 1.00 0.00 C ATOM 1307 CG2 VAL A 77 96.707 -15.944 9.172 1.00 0.00 C ATOM 0 H VAL A 77 98.873 -15.059 10.764 1.00 0.00 H new ATOM 0 HA VAL A 77 98.273 -13.947 8.137 1.00 0.00 H new ATOM 0 HB VAL A 77 96.555 -14.332 10.623 1.00 0.00 H new ATOM 0 HG11 VAL A 77 94.680 -14.101 9.011 1.00 0.00 H new ATOM 0 HG12 VAL A 77 95.684 -12.632 9.034 1.00 0.00 H new ATOM 0 HG13 VAL A 77 95.843 -13.798 7.699 1.00 0.00 H new ATOM 0 HG21 VAL A 77 95.729 -16.359 9.415 1.00 0.00 H new ATOM 0 HG22 VAL A 77 96.892 -16.052 8.103 1.00 0.00 H new ATOM 0 HG23 VAL A 77 97.477 -16.478 9.729 1.00 0.00 H new ATOM 1317 N THR A 78 98.915 -12.071 10.635 1.00 0.00 N ATOM 1318 CA THR A 78 99.034 -10.690 11.094 1.00 0.00 C ATOM 1319 C THR A 78 99.256 -9.748 9.915 1.00 0.00 C ATOM 1320 O THR A 78 98.935 -8.561 9.981 1.00 0.00 O ATOM 1321 CB THR A 78 100.203 -10.578 12.075 1.00 0.00 C ATOM 1322 OG1 THR A 78 101.419 -10.827 11.385 1.00 0.00 O ATOM 1323 CG2 THR A 78 100.042 -11.608 13.202 1.00 0.00 C ATOM 0 H THR A 78 99.441 -12.749 11.187 1.00 0.00 H new ATOM 0 HA THR A 78 98.108 -10.405 11.593 1.00 0.00 H new ATOM 0 HB THR A 78 100.217 -9.576 12.503 1.00 0.00 H new ATOM 0 HG1 THR A 78 102.170 -10.754 12.010 1.00 0.00 H new ATOM 0 HG21 THR A 78 100.878 -11.522 13.896 1.00 0.00 H new ATOM 0 HG22 THR A 78 99.109 -11.423 13.734 1.00 0.00 H new ATOM 0 HG23 THR A 78 100.025 -12.612 12.778 1.00 0.00 H new ATOM 1331 N ALA A 79 99.796 -10.293 8.841 1.00 0.00 N ATOM 1332 CA ALA A 79 100.056 -9.523 7.629 1.00 0.00 C ATOM 1333 C ALA A 79 98.763 -8.912 7.083 1.00 0.00 C ATOM 1334 O ALA A 79 98.786 -7.972 6.282 1.00 0.00 O ATOM 1335 CB ALA A 79 100.689 -10.413 6.561 1.00 0.00 C ATOM 0 H ALA A 79 100.067 -11.274 8.779 1.00 0.00 H new ATOM 0 HA ALA A 79 100.745 -8.718 7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 79 100.877 -9.825 5.663 1.00 0.00 H new ATOM 0 HB2 ALA A 79 101.630 -10.816 6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 79 100.012 -11.233 6.323 1.00 0.00 H new ATOM 1341 N PHE A 80 97.641 -9.449 7.541 1.00 0.00 N ATOM 1342 CA PHE A 80 96.329 -8.966 7.123 1.00 0.00 C ATOM 1343 C PHE A 80 96.076 -7.544 7.630 1.00 0.00 C ATOM 1344 O PHE A 80 95.551 -6.704 6.900 1.00 0.00 O ATOM 1345 CB PHE A 80 95.227 -9.904 7.625 1.00 0.00 C ATOM 1346 CG PHE A 80 93.927 -9.550 6.944 1.00 0.00 C ATOM 1347 CD1 PHE A 80 92.880 -8.976 7.676 1.00 0.00 C ATOM 1348 CD2 PHE A 80 93.767 -9.808 5.578 1.00 0.00 C ATOM 1349 CE1 PHE A 80 91.674 -8.658 7.040 1.00 0.00 C ATOM 1350 CE2 PHE A 80 92.560 -9.490 4.942 1.00 0.00 C ATOM 1351 CZ PHE A 80 91.514 -8.915 5.673 1.00 0.00 C ATOM 0 H PHE A 80 97.611 -10.223 8.205 1.00 0.00 H new ATOM 0 HA PHE A 80 96.312 -8.949 6.033 1.00 0.00 H new ATOM 0 HB2 PHE A 80 95.491 -10.940 7.415 1.00 0.00 H new ATOM 0 HB3 PHE A 80 95.121 -9.815 8.706 1.00 0.00 H new ATOM 0 HD1 PHE A 80 93.003 -8.779 8.731 1.00 0.00 H new ATOM 0 HD2 PHE A 80 94.574 -10.252 5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 80 90.867 -8.214 7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 80 92.437 -9.689 3.888 1.00 0.00 H new ATOM 0 HZ PHE A 80 90.584 -8.670 5.183 1.00 0.00 H new ATOM 1361 N SER A 81 96.447 -7.281 8.884 1.00 0.00 N ATOM 1362 CA SER A 81 96.247 -5.964 9.470 1.00 0.00 C ATOM 1363 C SER A 81 97.031 -4.909 8.705 1.00 0.00 C ATOM 1364 O SER A 81 96.553 -3.793 8.498 1.00 0.00 O ATOM 1365 CB SER A 81 96.689 -5.975 10.933 1.00 0.00 C ATOM 1366 OG SER A 81 95.921 -6.935 11.646 1.00 0.00 O ATOM 0 H SER A 81 96.884 -7.961 9.506 1.00 0.00 H new ATOM 0 HA SER A 81 95.187 -5.718 9.412 1.00 0.00 H new ATOM 0 HB2 SER A 81 97.750 -6.216 11.003 1.00 0.00 H new ATOM 0 HB3 SER A 81 96.557 -4.986 11.373 1.00 0.00 H new ATOM 0 HG SER A 81 96.202 -6.947 12.585 1.00 0.00 H new ATOM 1372 N TYR A 82 98.243 -5.267 8.292 1.00 0.00 N ATOM 1373 CA TYR A 82 99.081 -4.335 7.555 1.00 0.00 C ATOM 1374 C TYR A 82 98.400 -3.888 6.278 1.00 0.00 C ATOM 1375 O TYR A 82 98.318 -2.699 6.008 1.00 0.00 O ATOM 1376 CB TYR A 82 100.410 -4.996 7.192 1.00 0.00 C ATOM 1377 CG TYR A 82 101.405 -4.782 8.301 1.00 0.00 C ATOM 1378 CD1 TYR A 82 101.507 -5.706 9.348 1.00 0.00 C ATOM 1379 CD2 TYR A 82 102.225 -3.648 8.286 1.00 0.00 C ATOM 1380 CE1 TYR A 82 102.430 -5.497 10.379 1.00 0.00 C ATOM 1381 CE2 TYR A 82 103.148 -3.437 9.318 1.00 0.00 C ATOM 1382 CZ TYR A 82 103.250 -4.362 10.364 1.00 0.00 C ATOM 1383 OH TYR A 82 104.159 -4.155 11.378 1.00 0.00 O ATOM 0 H TYR A 82 98.660 -6.184 8.454 1.00 0.00 H new ATOM 0 HA TYR A 82 99.255 -3.469 8.193 1.00 0.00 H new ATOM 0 HB2 TYR A 82 100.262 -6.063 7.024 1.00 0.00 H new ATOM 0 HB3 TYR A 82 100.793 -4.577 6.261 1.00 0.00 H new ATOM 0 HD1 TYR A 82 100.873 -6.580 9.360 1.00 0.00 H new ATOM 0 HD2 TYR A 82 102.146 -2.935 7.478 1.00 0.00 H new ATOM 0 HE1 TYR A 82 102.510 -6.211 11.186 1.00 0.00 H new ATOM 0 HE2 TYR A 82 103.780 -2.562 9.307 1.00 0.00 H new ATOM 0 HH TYR A 82 103.737 -3.637 12.095 1.00 0.00 H new ATOM 1393 N TRP A 83 97.913 -4.844 5.495 1.00 0.00 N ATOM 1394 CA TRP A 83 97.245 -4.513 4.239 1.00 0.00 C ATOM 1395 C TRP A 83 96.055 -3.596 4.472 1.00 0.00 C ATOM 1396 O TRP A 83 95.823 -2.668 3.706 1.00 0.00 O ATOM 1397 CB TRP A 83 96.765 -5.790 3.554 1.00 0.00 C ATOM 1398 CG TRP A 83 97.829 -6.835 3.649 1.00 0.00 C ATOM 1399 CD1 TRP A 83 99.143 -6.590 3.857 1.00 0.00 C ATOM 1400 CD2 TRP A 83 97.694 -8.283 3.551 1.00 0.00 C ATOM 1401 NE1 TRP A 83 99.823 -7.794 3.894 1.00 0.00 N ATOM 1402 CE2 TRP A 83 98.974 -8.866 3.710 1.00 0.00 C ATOM 1403 CE3 TRP A 83 96.596 -9.138 3.342 1.00 0.00 C ATOM 1404 CZ2 TRP A 83 99.158 -10.249 3.663 1.00 0.00 C ATOM 1405 CZ3 TRP A 83 96.778 -10.529 3.294 1.00 0.00 C ATOM 1406 CH2 TRP A 83 98.056 -11.084 3.454 1.00 0.00 C ATOM 0 H TRP A 83 97.966 -5.841 5.702 1.00 0.00 H new ATOM 0 HA TRP A 83 97.964 -3.996 3.604 1.00 0.00 H new ATOM 0 HB2 TRP A 83 95.848 -6.145 4.024 1.00 0.00 H new ATOM 0 HB3 TRP A 83 96.530 -5.589 2.509 1.00 0.00 H new ATOM 0 HD1 TRP A 83 99.589 -5.613 3.975 1.00 0.00 H new ATOM 0 HE1 TRP A 83 100.829 -7.879 4.040 1.00 0.00 H new ATOM 0 HE3 TRP A 83 95.607 -8.721 3.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 100.144 -10.671 3.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 95.928 -11.176 3.133 1.00 0.00 H new ATOM 0 HH2 TRP A 83 98.189 -12.155 3.416 1.00 0.00 H new ATOM 1417 N ASN A 84 95.298 -3.865 5.526 1.00 0.00 N ATOM 1418 CA ASN A 84 94.135 -3.046 5.836 1.00 0.00 C ATOM 1419 C ASN A 84 94.529 -1.614 6.189 1.00 0.00 C ATOM 1420 O ASN A 84 93.917 -0.663 5.702 1.00 0.00 O ATOM 1421 CB ASN A 84 93.368 -3.666 7.010 1.00 0.00 C ATOM 1422 CG ASN A 84 92.464 -4.796 6.528 1.00 0.00 C ATOM 1423 OD1 ASN A 84 92.034 -4.793 5.374 1.00 0.00 O ATOM 1424 ND2 ASN A 84 92.142 -5.762 7.344 1.00 0.00 N ATOM 0 H ASN A 84 95.465 -4.635 6.174 1.00 0.00 H new ATOM 0 HA ASN A 84 93.504 -3.013 4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 84 94.072 -4.047 7.750 1.00 0.00 H new ATOM 0 HB3 ASN A 84 92.770 -2.901 7.504 1.00 0.00 H new ATOM 0 HD21 ASN A 84 91.533 -6.516 7.026 1.00 0.00 H new ATOM 0 HD22 ASN A 84 92.499 -5.763 8.299 1.00 0.00 H new ATOM 1431 N LEU A 85 95.540 -1.457 7.039 1.00 0.00 N ATOM 1432 CA LEU A 85 95.971 -0.135 7.435 1.00 0.00 C ATOM 1433 C LEU A 85 96.642 0.585 6.272 1.00 0.00 C ATOM 1434 O LEU A 85 96.289 1.710 5.941 1.00 0.00 O ATOM 1435 CB LEU A 85 96.952 -0.253 8.600 1.00 0.00 C ATOM 1436 CG LEU A 85 97.383 1.144 9.052 1.00 0.00 C ATOM 1437 CD1 LEU A 85 96.177 1.928 9.574 1.00 0.00 C ATOM 1438 CD2 LEU A 85 98.417 1.012 10.162 1.00 0.00 C ATOM 0 H LEU A 85 96.066 -2.224 7.458 1.00 0.00 H new ATOM 0 HA LEU A 85 95.098 0.442 7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 85 96.486 -0.787 9.428 1.00 0.00 H new ATOM 0 HB3 LEU A 85 97.824 -0.833 8.297 1.00 0.00 H new ATOM 0 HG LEU A 85 97.811 1.678 8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 85 96.498 2.920 9.892 1.00 0.00 H new ATOM 0 HD12 LEU A 85 95.435 2.024 8.782 1.00 0.00 H new ATOM 0 HD13 LEU A 85 95.738 1.400 10.420 1.00 0.00 H new ATOM 0 HD21 LEU A 85 98.729 2.004 10.489 1.00 0.00 H new ATOM 0 HD22 LEU A 85 97.981 0.473 11.003 1.00 0.00 H new ATOM 0 HD23 LEU A 85 99.283 0.464 9.790 1.00 0.00 H new ATOM 1450 N ILE A 86 97.616 -0.069 5.657 1.00 0.00 N ATOM 1451 CA ILE A 86 98.324 0.536 4.542 1.00 0.00 C ATOM 1452 C ILE A 86 97.350 0.855 3.424 1.00 0.00 C ATOM 1453 O ILE A 86 97.500 1.856 2.719 1.00 0.00 O ATOM 1454 CB ILE A 86 99.439 -0.410 4.049 1.00 0.00 C ATOM 1455 CG1 ILE A 86 100.805 0.074 4.580 1.00 0.00 C ATOM 1456 CG2 ILE A 86 99.476 -0.469 2.513 1.00 0.00 C ATOM 1457 CD1 ILE A 86 101.740 -1.122 4.730 1.00 0.00 C ATOM 0 H ILE A 86 97.930 -1.006 5.908 1.00 0.00 H new ATOM 0 HA ILE A 86 98.786 1.467 4.871 1.00 0.00 H new ATOM 0 HB ILE A 86 99.229 -1.411 4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 86 101.236 0.804 3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 86 100.678 0.574 5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 86 100.271 -1.143 2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 86 98.519 -0.834 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 86 99.664 0.528 2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 86 102.706 -0.784 5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 86 101.308 -1.836 5.432 1.00 0.00 H new ATOM 0 HD13 ILE A 86 101.875 -1.602 3.761 1.00 0.00 H new ATOM 1469 N LYS A 87 96.359 -0.003 3.259 1.00 0.00 N ATOM 1470 CA LYS A 87 95.381 0.191 2.207 1.00 0.00 C ATOM 1471 C LYS A 87 94.693 1.527 2.362 1.00 0.00 C ATOM 1472 O LYS A 87 94.539 2.272 1.393 1.00 0.00 O ATOM 1473 CB LYS A 87 94.342 -0.939 2.242 1.00 0.00 C ATOM 1474 CG LYS A 87 93.081 -0.525 1.469 1.00 0.00 C ATOM 1475 CD LYS A 87 92.151 -1.725 1.326 1.00 0.00 C ATOM 1476 CE LYS A 87 90.915 -1.304 0.531 1.00 0.00 C ATOM 1477 NZ LYS A 87 90.001 -2.468 0.380 1.00 0.00 N ATOM 0 H LYS A 87 96.212 -0.832 3.834 1.00 0.00 H new ATOM 0 HA LYS A 87 95.897 0.175 1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 87 94.764 -1.844 1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 87 94.084 -1.173 3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 87 92.570 0.283 1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 87 93.354 -0.145 0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 87 92.665 -2.541 0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 87 91.859 -2.094 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 87 90.402 -0.489 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 87 91.210 -0.930 -0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 89.160 -2.181 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 90.493 -3.233 -0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 89.710 -2.805 1.320 1.00 0.00 H new ATOM 1491 N GLU A 88 94.288 1.830 3.583 1.00 0.00 N ATOM 1492 CA GLU A 88 93.626 3.084 3.866 1.00 0.00 C ATOM 1493 C GLU A 88 94.620 4.201 4.112 1.00 0.00 C ATOM 1494 O GLU A 88 94.259 5.375 4.105 1.00 0.00 O ATOM 1495 CB GLU A 88 92.732 2.918 5.090 1.00 0.00 C ATOM 1496 CG GLU A 88 93.548 2.585 6.324 1.00 0.00 C ATOM 1497 CD GLU A 88 92.645 2.554 7.556 1.00 0.00 C ATOM 1498 OE1 GLU A 88 91.728 3.354 7.626 1.00 0.00 O ATOM 1499 OE2 GLU A 88 92.904 1.734 8.422 1.00 0.00 O ATOM 0 H GLU A 88 94.408 1.222 4.393 1.00 0.00 H new ATOM 0 HA GLU A 88 93.029 3.355 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 88 92.169 3.836 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 88 92.004 2.127 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 88 94.037 1.619 6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 88 94.336 3.326 6.459 1.00 0.00 H new ATOM 1506 N LEU A 89 95.860 3.829 4.391 1.00 0.00 N ATOM 1507 CA LEU A 89 96.872 4.811 4.711 1.00 0.00 C ATOM 1508 C LEU A 89 97.138 5.716 3.528 1.00 0.00 C ATOM 1509 O LEU A 89 97.282 6.927 3.677 1.00 0.00 O ATOM 1510 CB LEU A 89 98.172 4.102 5.097 1.00 0.00 C ATOM 1511 CG LEU A 89 99.182 5.096 5.665 1.00 0.00 C ATOM 1512 CD1 LEU A 89 98.657 5.704 6.970 1.00 0.00 C ATOM 1513 CD2 LEU A 89 100.516 4.391 5.937 1.00 0.00 C ATOM 0 H LEU A 89 96.183 2.862 4.401 1.00 0.00 H new ATOM 0 HA LEU A 89 96.511 5.415 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 89 97.964 3.327 5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 89 98.595 3.606 4.223 1.00 0.00 H new ATOM 0 HG LEU A 89 99.331 5.891 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 89 99.388 6.410 7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 89 97.718 6.223 6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 89 98.491 4.911 7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 89 101.230 5.108 6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 89 100.362 3.586 6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 89 100.905 3.977 5.007 1.00 0.00 H new ATOM 1525 N ILE A 90 97.226 5.114 2.351 1.00 0.00 N ATOM 1526 CA ILE A 90 97.504 5.881 1.152 1.00 0.00 C ATOM 1527 C ILE A 90 96.376 6.880 0.905 1.00 0.00 C ATOM 1528 O ILE A 90 96.617 8.025 0.526 1.00 0.00 O ATOM 1529 CB ILE A 90 97.649 4.954 -0.071 1.00 0.00 C ATOM 1530 CG1 ILE A 90 98.927 4.117 0.103 1.00 0.00 C ATOM 1531 CG2 ILE A 90 97.732 5.788 -1.381 1.00 0.00 C ATOM 1532 CD1 ILE A 90 99.319 3.486 -1.235 1.00 0.00 C ATOM 0 H ILE A 90 97.110 4.111 2.204 1.00 0.00 H new ATOM 0 HA ILE A 90 98.443 6.415 1.296 1.00 0.00 H new ATOM 0 HB ILE A 90 96.779 4.301 -0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 90 99.738 4.746 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 90 98.764 3.339 0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 90 97.834 5.117 -2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 90 96.824 6.381 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 90 98.596 6.451 -1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 90 100.225 2.894 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 90 98.512 2.842 -1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 90 99.500 4.272 -1.969 1.00 0.00 H new ATOM 1544 N ASP A 91 95.143 6.424 1.091 1.00 0.00 N ATOM 1545 CA ASP A 91 93.980 7.272 0.856 1.00 0.00 C ATOM 1546 C ASP A 91 94.152 8.613 1.556 1.00 0.00 C ATOM 1547 O ASP A 91 93.707 9.646 1.054 1.00 0.00 O ATOM 1548 CB ASP A 91 92.710 6.570 1.368 1.00 0.00 C ATOM 1549 CG ASP A 91 92.169 5.603 0.313 1.00 0.00 C ATOM 1550 OD1 ASP A 91 92.709 5.587 -0.780 1.00 0.00 O ATOM 1551 OD2 ASP A 91 91.229 4.888 0.621 1.00 0.00 O ATOM 0 H ASP A 91 94.923 5.478 1.402 1.00 0.00 H new ATOM 0 HA ASP A 91 93.884 7.448 -0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 91 92.933 6.027 2.287 1.00 0.00 H new ATOM 0 HB3 ASP A 91 91.951 7.313 1.613 1.00 0.00 H new ATOM 1556 N LYS A 92 94.806 8.598 2.709 1.00 0.00 N ATOM 1557 CA LYS A 92 95.032 9.828 3.454 1.00 0.00 C ATOM 1558 C LYS A 92 96.009 10.729 2.703 1.00 0.00 C ATOM 1559 O LYS A 92 97.008 10.260 2.158 1.00 0.00 O ATOM 1560 CB LYS A 92 95.595 9.503 4.840 1.00 0.00 C ATOM 1561 CG LYS A 92 94.534 8.778 5.664 1.00 0.00 C ATOM 1562 CD LYS A 92 95.093 8.467 7.054 1.00 0.00 C ATOM 1563 CE LYS A 92 94.030 7.742 7.880 1.00 0.00 C ATOM 1564 NZ LYS A 92 94.582 7.418 9.226 1.00 0.00 N ATOM 0 H LYS A 92 95.186 7.758 3.145 1.00 0.00 H new ATOM 0 HA LYS A 92 94.081 10.349 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 92 96.485 8.881 4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 92 95.899 10.420 5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 92 93.640 9.395 5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 92 94.238 7.856 5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 92 95.987 7.849 6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 92 95.390 9.389 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 92 93.143 8.367 7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 92 93.720 6.828 7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 93.859 6.925 9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 95.416 6.806 9.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 94.856 8.297 9.709 1.00 0.00 H new