USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 696 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 3 GLN : amide:sc= -0.0669 X(o=-0.067,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 9 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.3!) USER MOD Single : A 11 LYS NZ :NH3+ -105:sc= 0 (180deg=-0.11) USER MOD Single : A 17 LYS NZ :NH3+ -120:sc= -0.0167 (180deg=-0.286) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -1.64! USER MOD Single : A 41 ASN : amide:sc= -0.688 K(o=-0.69,f=-2.1!) USER MOD Single : A 44 THR OG1 : rot 5:sc= -1.76! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 39:sc= 0.0221 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.23) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -69:sc= 0.419 USER MOD Single : A 79 GLN : amide:sc= -0.0397 X(o=-0.04,f=0.062) USER MOD Single : A 80 GLN : amide:sc= -0.0985 K(o=-0.098,f=-1.4!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl -125:sc= -0.0395 (180deg=-0.39) USER MOD Single : A 95 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.900 5.987 -15.771 1.00 0.00 N ATOM 32 CA GLN A 3 -6.072 4.782 -14.894 1.00 0.00 C ATOM 33 C GLN A 3 -6.364 5.201 -13.440 1.00 0.00 C ATOM 34 O GLN A 3 -5.515 5.080 -12.575 1.00 0.00 O ATOM 35 CB GLN A 3 -4.744 4.023 -14.981 1.00 0.00 C ATOM 36 CG GLN A 3 -4.519 3.552 -16.420 1.00 0.00 C ATOM 37 CD GLN A 3 -5.309 2.261 -16.666 1.00 0.00 C ATOM 38 OE1 GLN A 3 -4.785 1.178 -16.493 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.557 2.322 -17.065 1.00 0.00 N ATOM 0 HA GLN A 3 -6.913 4.167 -15.215 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.923 4.667 -14.665 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.756 3.168 -14.305 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.837 4.324 -17.120 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.457 3.380 -16.596 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.002 3.228 -17.212 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.083 1.463 -17.228 1.00 0.00 H new ATOM 48 N GLU A 4 -7.557 5.689 -13.161 1.00 0.00 N ATOM 49 CA GLU A 4 -7.884 6.105 -11.755 1.00 0.00 C ATOM 50 C GLU A 4 -8.623 4.975 -11.022 1.00 0.00 C ATOM 51 O GLU A 4 -8.380 4.737 -9.854 1.00 0.00 O ATOM 52 CB GLU A 4 -8.778 7.346 -11.875 1.00 0.00 C ATOM 53 CG GLU A 4 -8.615 8.215 -10.627 1.00 0.00 C ATOM 54 CD GLU A 4 -9.612 7.765 -9.558 1.00 0.00 C ATOM 55 OE1 GLU A 4 -10.730 7.437 -9.919 1.00 0.00 O ATOM 56 OE2 GLU A 4 -9.241 7.756 -8.395 1.00 0.00 O ATOM 0 H GLU A 4 -8.309 5.815 -13.839 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.982 6.322 -11.183 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.510 7.915 -12.765 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.820 7.047 -11.989 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.597 8.136 -10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.781 9.263 -10.876 1.00 0.00 H new ATOM 63 N GLN A 5 -9.517 4.265 -11.690 1.00 0.00 N ATOM 64 CA GLN A 5 -10.249 3.141 -10.992 1.00 0.00 C ATOM 65 C GLN A 5 -9.232 2.171 -10.363 1.00 0.00 C ATOM 66 O GLN A 5 -9.436 1.682 -9.266 1.00 0.00 O ATOM 67 CB GLN A 5 -11.116 2.429 -12.052 1.00 0.00 C ATOM 68 CG GLN A 5 -10.233 1.787 -13.129 1.00 0.00 C ATOM 69 CD GLN A 5 -11.099 1.396 -14.333 1.00 0.00 C ATOM 70 OE1 GLN A 5 -11.196 2.141 -15.289 1.00 0.00 O ATOM 71 NE2 GLN A 5 -11.740 0.252 -14.335 1.00 0.00 N ATOM 0 H GLN A 5 -9.768 4.410 -12.668 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.882 3.519 -10.189 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.730 1.665 -11.574 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.798 3.144 -12.512 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.454 2.484 -13.439 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.732 0.907 -12.727 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.663 -0.377 -13.536 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.316 -0.009 -15.136 1.00 0.00 H new ATOM 80 N TYR A 6 -8.120 1.924 -11.025 1.00 0.00 N ATOM 81 CA TYR A 6 -7.081 1.025 -10.420 1.00 0.00 C ATOM 82 C TYR A 6 -6.342 1.801 -9.319 1.00 0.00 C ATOM 83 O TYR A 6 -5.985 1.246 -8.298 1.00 0.00 O ATOM 84 CB TYR A 6 -6.106 0.642 -11.546 1.00 0.00 C ATOM 85 CG TYR A 6 -6.754 -0.373 -12.456 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.516 0.055 -13.550 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.589 -1.740 -12.209 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.114 -0.886 -14.396 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.186 -2.681 -13.055 1.00 0.00 C ATOM 90 CZ TYR A 6 -7.949 -2.254 -14.149 1.00 0.00 C ATOM 91 OH TYR A 6 -8.539 -3.182 -14.984 1.00 0.00 O ATOM 0 H TYR A 6 -7.890 2.301 -11.945 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.524 0.130 -9.982 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.826 1.529 -12.115 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.189 0.232 -11.123 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.642 1.110 -13.741 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.001 -2.069 -11.365 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.703 -0.557 -15.239 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.058 -3.736 -12.864 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.607 -2.811 -15.889 1.00 0.00 H new ATOM 101 N THR A 7 -6.121 3.089 -9.512 1.00 0.00 N ATOM 102 CA THR A 7 -5.416 3.896 -8.456 1.00 0.00 C ATOM 103 C THR A 7 -6.311 4.011 -7.213 1.00 0.00 C ATOM 104 O THR A 7 -5.834 3.913 -6.097 1.00 0.00 O ATOM 105 CB THR A 7 -5.157 5.287 -9.073 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.291 5.149 -10.196 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.504 6.223 -8.049 1.00 0.00 C ATOM 0 H THR A 7 -6.396 3.609 -10.346 1.00 0.00 H new ATOM 0 HA THR A 7 -4.480 3.430 -8.146 1.00 0.00 H new ATOM 0 HB THR A 7 -6.111 5.714 -9.381 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.824 5.115 -11.018 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.331 7.197 -8.506 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.163 6.338 -7.188 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.553 5.800 -7.724 1.00 0.00 H new ATOM 115 N GLU A 8 -7.602 4.209 -7.390 1.00 0.00 N ATOM 116 CA GLU A 8 -8.501 4.316 -6.187 1.00 0.00 C ATOM 117 C GLU A 8 -8.634 2.941 -5.526 1.00 0.00 C ATOM 118 O GLU A 8 -8.603 2.831 -4.314 1.00 0.00 O ATOM 119 CB GLU A 8 -9.867 4.810 -6.688 1.00 0.00 C ATOM 120 CG GLU A 8 -10.708 5.280 -5.500 1.00 0.00 C ATOM 121 CD GLU A 8 -12.161 5.458 -5.940 1.00 0.00 C ATOM 122 OE1 GLU A 8 -12.374 6.028 -6.998 1.00 0.00 O ATOM 123 OE2 GLU A 8 -13.038 5.022 -5.213 1.00 0.00 O ATOM 0 H GLU A 8 -8.064 4.300 -8.295 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.097 5.007 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.732 5.627 -7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.383 4.009 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.649 4.554 -4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.316 6.221 -5.114 1.00 0.00 H new ATOM 130 N ASN A 9 -8.757 1.888 -6.304 1.00 0.00 N ATOM 131 CA ASN A 9 -8.860 0.521 -5.688 1.00 0.00 C ATOM 132 C ASN A 9 -7.479 0.096 -5.173 1.00 0.00 C ATOM 133 O ASN A 9 -7.368 -0.509 -4.124 1.00 0.00 O ATOM 134 CB ASN A 9 -9.348 -0.434 -6.788 1.00 0.00 C ATOM 135 CG ASN A 9 -10.806 -0.113 -7.135 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.110 0.984 -7.559 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.733 -1.026 -6.972 1.00 0.00 N ATOM 0 H ASN A 9 -8.790 1.913 -7.323 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.553 0.509 -4.847 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.722 -0.335 -7.675 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.262 -1.467 -6.452 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.704 -0.813 -7.201 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.483 -1.949 -6.616 1.00 0.00 H new ATOM 144 N LEU A 10 -6.420 0.424 -5.889 1.00 0.00 N ATOM 145 CA LEU A 10 -5.051 0.046 -5.399 1.00 0.00 C ATOM 146 C LEU A 10 -4.717 0.854 -4.140 1.00 0.00 C ATOM 147 O LEU A 10 -4.120 0.339 -3.214 1.00 0.00 O ATOM 148 CB LEU A 10 -4.061 0.377 -6.526 1.00 0.00 C ATOM 149 CG LEU A 10 -2.676 -0.161 -6.163 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.723 -1.688 -6.096 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.667 0.271 -7.228 1.00 0.00 C ATOM 0 H LEU A 10 -6.445 0.928 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.999 -1.013 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.400 -0.064 -7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.015 1.455 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.375 0.236 -5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.736 -2.071 -5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.442 -1.997 -5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.024 -2.086 -7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.680 -0.112 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.969 -0.126 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.633 1.359 -7.277 1.00 0.00 H new ATOM 163 N LYS A 11 -5.107 2.115 -4.085 1.00 0.00 N ATOM 164 CA LYS A 11 -4.805 2.932 -2.854 1.00 0.00 C ATOM 165 C LYS A 11 -5.421 2.272 -1.609 1.00 0.00 C ATOM 166 O LYS A 11 -4.867 2.358 -0.529 1.00 0.00 O ATOM 167 CB LYS A 11 -5.418 4.324 -3.077 1.00 0.00 C ATOM 168 CG LYS A 11 -5.072 5.232 -1.897 1.00 0.00 C ATOM 169 CD LYS A 11 -5.762 6.587 -2.075 1.00 0.00 C ATOM 170 CE LYS A 11 -5.625 7.403 -0.788 1.00 0.00 C ATOM 171 NZ LYS A 11 -6.710 6.904 0.102 1.00 0.00 N ATOM 0 H LYS A 11 -5.611 2.605 -4.824 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.730 3.002 -2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.039 4.755 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.500 4.243 -3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.391 4.770 -0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.992 5.367 -1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.316 7.127 -2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.815 6.442 -2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.645 7.261 -0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.734 8.470 -0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.479 7.604 0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.078 6.005 -0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.332 6.755 1.059 1.00 0.00 H new ATOM 185 N VAL A 12 -6.553 1.604 -1.743 1.00 0.00 N ATOM 186 CA VAL A 12 -7.162 0.941 -0.537 1.00 0.00 C ATOM 187 C VAL A 12 -6.337 -0.298 -0.174 1.00 0.00 C ATOM 188 O VAL A 12 -5.999 -0.506 0.977 1.00 0.00 O ATOM 189 CB VAL A 12 -8.597 0.544 -0.927 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.271 -0.176 0.243 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.394 1.804 -1.274 1.00 0.00 C ATOM 0 H VAL A 12 -7.070 1.492 -2.615 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.173 1.604 0.328 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.566 -0.122 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.287 -0.455 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.704 -1.073 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.303 0.486 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.411 1.526 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.421 2.467 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.918 2.317 -2.110 1.00 0.00 H new ATOM 201 N ILE A 13 -5.999 -1.117 -1.146 1.00 0.00 N ATOM 202 CA ILE A 13 -5.176 -2.335 -0.834 1.00 0.00 C ATOM 203 C ILE A 13 -3.782 -1.905 -0.347 1.00 0.00 C ATOM 204 O ILE A 13 -3.221 -2.519 0.541 1.00 0.00 O ATOM 205 CB ILE A 13 -5.079 -3.152 -2.134 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.495 -3.541 -2.597 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.254 -4.419 -1.883 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.654 -3.272 -4.097 1.00 0.00 C ATOM 0 H ILE A 13 -6.252 -0.999 -2.127 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.629 -2.935 -0.044 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.594 -2.554 -2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.677 -4.595 -2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.238 -2.972 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.186 -4.997 -2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.253 -4.142 -1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.736 -5.020 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.659 -3.551 -4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.492 -2.213 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.923 -3.861 -4.652 1.00 0.00 H new ATOM 220 N VAL A 14 -3.223 -0.845 -0.904 1.00 0.00 N ATOM 221 CA VAL A 14 -1.866 -0.389 -0.430 1.00 0.00 C ATOM 222 C VAL A 14 -1.956 0.014 1.050 1.00 0.00 C ATOM 223 O VAL A 14 -1.070 -0.285 1.829 1.00 0.00 O ATOM 224 CB VAL A 14 -1.473 0.820 -1.298 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.100 1.343 -0.865 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.416 0.398 -2.771 1.00 0.00 C ATOM 0 H VAL A 14 -3.638 -0.287 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.121 -1.179 -0.520 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.216 1.608 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.174 2.199 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.140 1.647 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.644 0.555 -0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.138 1.255 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.676 -0.393 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.394 0.031 -3.082 1.00 0.00 H new ATOM 236 N ALA A 15 -3.025 0.680 1.452 1.00 0.00 N ATOM 237 CA ALA A 15 -3.153 1.075 2.901 1.00 0.00 C ATOM 238 C ALA A 15 -3.349 -0.176 3.779 1.00 0.00 C ATOM 239 O ALA A 15 -2.912 -0.209 4.913 1.00 0.00 O ATOM 240 CB ALA A 15 -4.382 1.992 3.005 1.00 0.00 C ATOM 0 H ALA A 15 -3.800 0.962 0.851 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.254 1.585 3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.516 2.305 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.235 2.870 2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.268 1.452 2.672 1.00 0.00 H new ATOM 246 N GLU A 16 -4.000 -1.212 3.270 1.00 0.00 N ATOM 247 CA GLU A 16 -4.206 -2.456 4.104 1.00 0.00 C ATOM 248 C GLU A 16 -2.863 -2.962 4.657 1.00 0.00 C ATOM 249 O GLU A 16 -2.798 -3.455 5.768 1.00 0.00 O ATOM 250 CB GLU A 16 -4.818 -3.514 3.172 1.00 0.00 C ATOM 251 CG GLU A 16 -5.159 -4.771 3.975 1.00 0.00 C ATOM 252 CD GLU A 16 -5.059 -5.999 3.067 1.00 0.00 C ATOM 253 OE1 GLU A 16 -6.005 -6.252 2.340 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.038 -6.666 3.116 1.00 0.00 O ATOM 0 H GLU A 16 -4.391 -1.249 2.329 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.857 -2.249 4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.716 -3.119 2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.117 -3.759 2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.477 -4.873 4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.165 -4.691 4.387 1.00 0.00 H new ATOM 261 N LYS A 17 -1.790 -2.842 3.900 1.00 0.00 N ATOM 262 CA LYS A 17 -0.462 -3.321 4.416 1.00 0.00 C ATOM 263 C LYS A 17 0.195 -2.220 5.260 1.00 0.00 C ATOM 264 O LYS A 17 0.629 -2.467 6.369 1.00 0.00 O ATOM 265 CB LYS A 17 0.401 -3.639 3.186 1.00 0.00 C ATOM 266 CG LYS A 17 1.275 -4.863 3.477 1.00 0.00 C ATOM 267 CD LYS A 17 2.279 -4.536 4.590 1.00 0.00 C ATOM 268 CE LYS A 17 1.873 -5.249 5.884 1.00 0.00 C ATOM 269 NZ LYS A 17 2.203 -6.682 5.653 1.00 0.00 N ATOM 0 H LYS A 17 -1.776 -2.440 2.963 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.575 -4.202 5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.235 -3.830 2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.028 -2.783 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.650 -5.704 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.806 -5.165 2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.280 -4.847 4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.316 -3.459 4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.417 -4.852 6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.811 -5.117 6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.339 -7.255 5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.607 -6.796 4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.894 -6.998 6.363 1.00 0.00 H new ATOM 283 N LEU A 18 0.263 -1.003 4.755 1.00 0.00 N ATOM 284 CA LEU A 18 0.896 0.106 5.562 1.00 0.00 C ATOM 285 C LEU A 18 0.147 0.271 6.890 1.00 0.00 C ATOM 286 O LEU A 18 0.757 0.377 7.938 1.00 0.00 O ATOM 287 CB LEU A 18 0.769 1.388 4.723 1.00 0.00 C ATOM 288 CG LEU A 18 1.635 1.273 3.469 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.072 2.186 2.379 1.00 0.00 C ATOM 290 CD2 LEU A 18 3.068 1.695 3.798 1.00 0.00 C ATOM 0 H LEU A 18 -0.085 -0.731 3.836 1.00 0.00 H new ATOM 0 HA LEU A 18 1.940 -0.113 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.272 1.549 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.078 2.251 5.312 1.00 0.00 H new ATOM 0 HG LEU A 18 1.633 0.241 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.688 2.106 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.051 1.886 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.076 3.218 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.686 1.613 2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.072 2.727 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.469 1.046 4.577 1.00 0.00 H new ATOM 302 N ALA A 19 -1.170 0.277 6.860 1.00 0.00 N ATOM 303 CA ALA A 19 -1.939 0.416 8.144 1.00 0.00 C ATOM 304 C ALA A 19 -1.624 -0.758 9.097 1.00 0.00 C ATOM 305 O ALA A 19 -1.800 -0.637 10.295 1.00 0.00 O ATOM 306 CB ALA A 19 -3.430 0.404 7.770 1.00 0.00 C ATOM 0 H ALA A 19 -1.737 0.193 6.016 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.667 1.337 8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.032 0.503 8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.643 1.236 7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.673 -0.535 7.273 1.00 0.00 H new ATOM 312 N GLY A 20 -1.171 -1.898 8.589 1.00 0.00 N ATOM 313 CA GLY A 20 -0.874 -3.048 9.495 1.00 0.00 C ATOM 314 C GLY A 20 0.642 -3.221 9.737 1.00 0.00 C ATOM 315 O GLY A 20 1.057 -4.247 10.246 1.00 0.00 O ATOM 0 H GLY A 20 -1.000 -2.068 7.598 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.378 -2.896 10.450 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.278 -3.963 9.063 1.00 0.00 H new ATOM 319 N ILE A 21 1.480 -2.250 9.406 1.00 0.00 N ATOM 320 CA ILE A 21 2.952 -2.429 9.669 1.00 0.00 C ATOM 321 C ILE A 21 3.275 -1.931 11.092 1.00 0.00 C ATOM 322 O ILE A 21 2.706 -0.956 11.542 1.00 0.00 O ATOM 323 CB ILE A 21 3.686 -1.602 8.581 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.667 -2.389 7.268 1.00 0.00 C ATOM 325 CG2 ILE A 21 5.153 -1.332 8.968 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.990 -1.460 6.095 1.00 0.00 C ATOM 0 H ILE A 21 1.214 -1.364 8.976 1.00 0.00 H new ATOM 0 HA ILE A 21 3.267 -3.471 9.619 1.00 0.00 H new ATOM 0 HB ILE A 21 3.174 -0.645 8.477 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.394 -3.200 7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.688 -2.845 7.122 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.635 -0.750 8.182 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.186 -0.775 9.904 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.677 -2.280 9.092 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.974 -2.029 5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.247 -0.664 6.046 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.979 -1.025 6.237 1.00 0.00 H new ATOM 338 N PRO A 22 4.187 -2.610 11.758 1.00 0.00 N ATOM 339 CA PRO A 22 4.569 -2.198 13.131 1.00 0.00 C ATOM 340 C PRO A 22 5.344 -0.873 13.088 1.00 0.00 C ATOM 341 O PRO A 22 6.029 -0.584 12.125 1.00 0.00 O ATOM 342 CB PRO A 22 5.458 -3.341 13.621 1.00 0.00 C ATOM 343 CG PRO A 22 5.998 -3.964 12.376 1.00 0.00 C ATOM 344 CD PRO A 22 4.939 -3.799 11.319 1.00 0.00 C ATOM 0 HA PRO A 22 3.713 -2.030 13.785 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.261 -2.972 14.259 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.889 -4.061 14.209 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.927 -3.481 12.073 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.224 -5.018 12.537 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.378 -3.653 10.332 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.297 -4.678 11.255 1.00 0.00 H new ATOM 415 N ASP A 27 2.262 9.225 8.425 1.00 0.00 N ATOM 416 CA ASP A 27 2.178 9.263 6.928 1.00 0.00 C ATOM 417 C ASP A 27 1.814 7.873 6.365 1.00 0.00 C ATOM 418 O ASP A 27 2.566 7.295 5.604 1.00 0.00 O ATOM 419 CB ASP A 27 3.571 9.690 6.454 1.00 0.00 C ATOM 420 CG ASP A 27 3.700 11.211 6.555 1.00 0.00 C ATOM 421 OD1 ASP A 27 3.383 11.744 7.606 1.00 0.00 O ATOM 422 OD2 ASP A 27 4.115 11.817 5.581 1.00 0.00 O ATOM 0 HA ASP A 27 1.404 9.950 6.584 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.337 9.208 7.062 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.731 9.368 5.425 1.00 0.00 H new ATOM 427 N ILE A 28 0.670 7.333 6.734 1.00 0.00 N ATOM 428 CA ILE A 28 0.277 5.980 6.209 1.00 0.00 C ATOM 429 C ILE A 28 -0.722 6.114 5.039 1.00 0.00 C ATOM 430 O ILE A 28 -0.700 5.317 4.119 1.00 0.00 O ATOM 431 CB ILE A 28 -0.310 5.220 7.424 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.351 3.706 7.136 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.716 5.728 7.780 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.332 3.381 6.000 1.00 0.00 C ATOM 0 H ILE A 28 -0.001 7.765 7.369 1.00 0.00 H new ATOM 0 HA ILE A 28 1.122 5.432 5.793 1.00 0.00 H new ATOM 0 HB ILE A 28 0.340 5.406 8.279 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.647 3.357 6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.645 3.170 8.038 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.097 5.173 8.637 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.668 6.789 8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.381 5.584 6.929 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.338 2.306 5.821 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.334 3.708 6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.022 3.898 5.092 1.00 0.00 H new ATOM 446 N LYS A 29 -1.576 7.114 5.039 1.00 0.00 N ATOM 447 CA LYS A 29 -2.522 7.273 3.885 1.00 0.00 C ATOM 448 C LYS A 29 -1.810 8.050 2.767 1.00 0.00 C ATOM 449 O LYS A 29 -1.995 7.764 1.599 1.00 0.00 O ATOM 450 CB LYS A 29 -3.735 8.056 4.409 1.00 0.00 C ATOM 451 CG LYS A 29 -4.742 7.084 5.028 1.00 0.00 C ATOM 452 CD LYS A 29 -6.028 7.835 5.376 1.00 0.00 C ATOM 453 CE LYS A 29 -6.853 8.049 4.105 1.00 0.00 C ATOM 454 NZ LYS A 29 -7.711 9.231 4.399 1.00 0.00 N ATOM 0 H LYS A 29 -1.659 7.816 5.775 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.843 6.313 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.416 8.787 5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.202 8.611 3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.958 6.275 4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.320 6.629 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.606 7.269 6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.789 8.795 5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.211 8.232 3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.456 7.171 3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.307 9.441 3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.316 9.025 5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.109 10.053 4.610 1.00 0.00 H new ATOM 468 N TYR A 30 -0.976 9.016 3.112 1.00 0.00 N ATOM 469 CA TYR A 30 -0.241 9.776 2.045 1.00 0.00 C ATOM 470 C TYR A 30 0.857 8.896 1.422 1.00 0.00 C ATOM 471 O TYR A 30 1.190 9.065 0.263 1.00 0.00 O ATOM 472 CB TYR A 30 0.384 11.006 2.725 1.00 0.00 C ATOM 473 CG TYR A 30 -0.697 12.013 3.036 1.00 0.00 C ATOM 474 CD1 TYR A 30 -1.084 12.947 2.068 1.00 0.00 C ATOM 475 CD2 TYR A 30 -1.314 12.012 4.293 1.00 0.00 C ATOM 476 CE1 TYR A 30 -2.086 13.881 2.356 1.00 0.00 C ATOM 477 CE2 TYR A 30 -2.316 12.946 4.582 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.702 13.880 3.613 1.00 0.00 C ATOM 479 OH TYR A 30 -3.691 14.801 3.897 1.00 0.00 O ATOM 0 H TYR A 30 -0.778 9.304 4.070 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.917 10.074 1.244 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.893 10.708 3.642 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.135 11.452 2.074 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.609 12.947 1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.017 11.291 5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.384 14.602 1.609 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.791 12.946 5.552 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.014 14.663 4.812 1.00 0.00 H new ATOM 489 N VAL A 31 1.423 7.954 2.163 1.00 0.00 N ATOM 490 CA VAL A 31 2.491 7.087 1.550 1.00 0.00 C ATOM 491 C VAL A 31 1.858 6.122 0.528 1.00 0.00 C ATOM 492 O VAL A 31 2.432 5.859 -0.513 1.00 0.00 O ATOM 493 CB VAL A 31 3.195 6.339 2.716 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.355 5.151 3.204 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.572 5.840 2.245 1.00 0.00 C ATOM 0 H VAL A 31 1.197 7.755 3.138 1.00 0.00 H new ATOM 0 HA VAL A 31 3.228 7.675 1.003 1.00 0.00 H new ATOM 0 HB VAL A 31 3.314 7.034 3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.875 4.649 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.388 5.510 3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.205 4.450 2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.068 5.315 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.444 5.161 1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.181 6.690 1.937 1.00 0.00 H new ATOM 505 N ALA A 32 0.674 5.604 0.804 1.00 0.00 N ATOM 506 CA ALA A 32 0.025 4.672 -0.187 1.00 0.00 C ATOM 507 C ALA A 32 -0.233 5.414 -1.508 1.00 0.00 C ATOM 508 O ALA A 32 -0.088 4.846 -2.575 1.00 0.00 O ATOM 509 CB ALA A 32 -1.304 4.214 0.435 1.00 0.00 C ATOM 0 H ALA A 32 0.140 5.782 1.654 1.00 0.00 H new ATOM 0 HA ALA A 32 0.666 3.817 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.811 3.535 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.107 3.701 1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.937 5.082 0.620 1.00 0.00 H new ATOM 515 N GLU A 33 -0.606 6.681 -1.455 1.00 0.00 N ATOM 516 CA GLU A 33 -0.858 7.440 -2.736 1.00 0.00 C ATOM 517 C GLU A 33 0.412 7.433 -3.595 1.00 0.00 C ATOM 518 O GLU A 33 0.366 7.135 -4.774 1.00 0.00 O ATOM 519 CB GLU A 33 -1.223 8.880 -2.339 1.00 0.00 C ATOM 520 CG GLU A 33 -2.647 8.911 -1.779 1.00 0.00 C ATOM 521 CD GLU A 33 -3.273 10.280 -2.051 1.00 0.00 C ATOM 522 OE1 GLU A 33 -3.801 10.463 -3.136 1.00 0.00 O ATOM 523 OE2 GLU A 33 -3.214 11.121 -1.171 1.00 0.00 O ATOM 0 H GLU A 33 -0.745 7.214 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.661 6.985 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.520 9.252 -1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.147 9.537 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.247 8.127 -2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.632 8.713 -0.707 1.00 0.00 H new ATOM 530 N TYR A 34 1.551 7.733 -3.007 1.00 0.00 N ATOM 531 CA TYR A 34 2.829 7.710 -3.806 1.00 0.00 C ATOM 532 C TYR A 34 3.080 6.281 -4.307 1.00 0.00 C ATOM 533 O TYR A 34 3.504 6.079 -5.429 1.00 0.00 O ATOM 534 CB TYR A 34 3.957 8.163 -2.854 1.00 0.00 C ATOM 535 CG TYR A 34 5.325 8.079 -3.521 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.473 8.225 -4.914 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.458 7.868 -2.724 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.745 8.157 -5.495 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.728 7.806 -3.308 1.00 0.00 C ATOM 540 CZ TYR A 34 7.871 7.950 -4.692 1.00 0.00 C ATOM 541 OH TYR A 34 9.124 7.893 -5.265 1.00 0.00 O ATOM 0 H TYR A 34 1.653 7.989 -2.025 1.00 0.00 H new ATOM 0 HA TYR A 34 2.780 8.368 -4.673 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.772 9.188 -2.532 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.950 7.541 -1.959 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.605 8.390 -5.535 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.351 7.753 -1.656 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.857 8.264 -6.564 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.599 7.647 -2.689 1.00 0.00 H new ATOM 0 HH TYR A 34 9.796 7.745 -4.567 1.00 0.00 H new ATOM 551 N ILE A 35 2.804 5.282 -3.490 1.00 0.00 N ATOM 552 CA ILE A 35 3.013 3.863 -3.946 1.00 0.00 C ATOM 553 C ILE A 35 2.124 3.597 -5.174 1.00 0.00 C ATOM 554 O ILE A 35 2.578 3.056 -6.163 1.00 0.00 O ATOM 555 CB ILE A 35 2.628 2.963 -2.751 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.668 3.155 -1.640 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.601 1.489 -3.170 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.256 2.364 -0.398 1.00 0.00 C ATOM 0 H ILE A 35 2.448 5.386 -2.540 1.00 0.00 H new ATOM 0 HA ILE A 35 4.043 3.663 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 35 1.635 3.240 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.647 2.823 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.759 4.213 -1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.328 0.872 -2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.869 1.350 -3.966 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.587 1.195 -3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.999 2.505 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.286 2.717 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.188 1.305 -0.647 1.00 0.00 H new ATOM 570 N VAL A 36 0.871 4.005 -5.131 1.00 0.00 N ATOM 571 CA VAL A 36 -0.018 3.793 -6.333 1.00 0.00 C ATOM 572 C VAL A 36 0.554 4.584 -7.516 1.00 0.00 C ATOM 573 O VAL A 36 0.593 4.095 -8.628 1.00 0.00 O ATOM 574 CB VAL A 36 -1.417 4.315 -5.957 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.364 4.166 -7.152 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.959 3.503 -4.780 1.00 0.00 C ATOM 0 H VAL A 36 0.431 4.466 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.074 2.742 -6.617 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.347 5.367 -5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.353 4.537 -6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.979 4.740 -7.995 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.435 3.115 -7.431 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.950 3.869 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.025 2.452 -5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.289 3.608 -3.927 1.00 0.00 H new ATOM 586 N LEU A 37 1.023 5.798 -7.286 1.00 0.00 N ATOM 587 CA LEU A 37 1.618 6.592 -8.422 1.00 0.00 C ATOM 588 C LEU A 37 2.818 5.819 -8.994 1.00 0.00 C ATOM 589 O LEU A 37 2.993 5.742 -10.195 1.00 0.00 O ATOM 590 CB LEU A 37 2.075 7.940 -7.839 1.00 0.00 C ATOM 591 CG LEU A 37 1.995 9.016 -8.922 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.613 9.672 -8.891 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.068 10.077 -8.666 1.00 0.00 C ATOM 0 H LEU A 37 1.020 6.265 -6.379 1.00 0.00 H new ATOM 0 HA LEU A 37 0.898 6.753 -9.224 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.446 8.214 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.096 7.860 -7.466 1.00 0.00 H new ATOM 0 HG LEU A 37 2.158 8.560 -9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.557 10.439 -9.663 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.152 8.917 -9.073 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.448 10.128 -7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.012 10.845 -9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.904 10.532 -7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.053 9.611 -8.689 1.00 0.00 H new ATOM 605 N LEU A 38 3.627 5.210 -8.146 1.00 0.00 N ATOM 606 CA LEU A 38 4.778 4.404 -8.682 1.00 0.00 C ATOM 607 C LEU A 38 4.202 3.212 -9.466 1.00 0.00 C ATOM 608 O LEU A 38 4.691 2.855 -10.520 1.00 0.00 O ATOM 609 CB LEU A 38 5.584 3.896 -7.474 1.00 0.00 C ATOM 610 CG LEU A 38 6.200 5.075 -6.721 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.682 4.604 -5.347 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.386 5.623 -7.518 1.00 0.00 C ATOM 0 H LEU A 38 3.542 5.236 -7.130 1.00 0.00 H new ATOM 0 HA LEU A 38 5.417 4.995 -9.338 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.936 3.327 -6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.369 3.218 -7.810 1.00 0.00 H new ATOM 0 HG LEU A 38 5.453 5.859 -6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.122 5.443 -4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.838 4.211 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.430 3.821 -5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.827 6.464 -6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.134 4.840 -7.642 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.043 5.956 -8.498 1.00 0.00 H new ATOM 624 N ILE A 39 3.146 2.605 -8.956 1.00 0.00 N ATOM 625 CA ILE A 39 2.515 1.442 -9.673 1.00 0.00 C ATOM 626 C ILE A 39 1.867 1.939 -10.977 1.00 0.00 C ATOM 627 O ILE A 39 2.083 1.377 -12.034 1.00 0.00 O ATOM 628 CB ILE A 39 1.442 0.887 -8.707 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.127 0.311 -7.450 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.583 -0.188 -9.394 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.875 -0.988 -7.778 1.00 0.00 C ATOM 0 H ILE A 39 2.697 2.865 -8.078 1.00 0.00 H new ATOM 0 HA ILE A 39 3.241 0.673 -9.937 1.00 0.00 H new ATOM 0 HB ILE A 39 0.780 1.702 -8.414 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.824 1.044 -7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.380 0.120 -6.680 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.163 -0.561 -8.692 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.082 0.245 -10.260 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.220 -1.011 -9.717 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.349 -1.373 -6.875 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.171 -1.726 -8.161 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.638 -0.789 -8.531 1.00 0.00 H new ATOM 643 N VAL A 40 1.075 2.988 -10.909 1.00 0.00 N ATOM 644 CA VAL A 40 0.419 3.509 -12.161 1.00 0.00 C ATOM 645 C VAL A 40 1.465 4.117 -13.130 1.00 0.00 C ATOM 646 O VAL A 40 1.190 4.268 -14.307 1.00 0.00 O ATOM 647 CB VAL A 40 -0.636 4.560 -11.707 1.00 0.00 C ATOM 648 CG1 VAL A 40 0.001 5.932 -11.449 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.705 4.699 -12.793 1.00 0.00 C ATOM 0 H VAL A 40 0.856 3.501 -10.055 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.063 2.704 -12.716 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.078 4.213 -10.773 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.768 6.637 -11.134 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.753 5.842 -10.665 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.471 6.293 -12.364 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.447 5.434 -12.481 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.239 5.026 -13.723 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.191 3.736 -12.950 1.00 0.00 H new ATOM 659 N ASN A 41 2.652 4.467 -12.661 1.00 0.00 N ATOM 660 CA ASN A 41 3.672 5.058 -13.591 1.00 0.00 C ATOM 661 C ASN A 41 4.631 3.982 -14.128 1.00 0.00 C ATOM 662 O ASN A 41 5.150 4.119 -15.221 1.00 0.00 O ATOM 663 CB ASN A 41 4.445 6.099 -12.771 1.00 0.00 C ATOM 664 CG ASN A 41 3.647 7.407 -12.720 1.00 0.00 C ATOM 665 OD1 ASN A 41 2.873 7.689 -13.614 1.00 0.00 O ATOM 666 ND2 ASN A 41 3.798 8.229 -11.709 1.00 0.00 N ATOM 0 H ASN A 41 2.950 4.369 -11.690 1.00 0.00 H new ATOM 0 HA ASN A 41 3.189 5.505 -14.459 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.618 5.727 -11.761 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.424 6.275 -13.217 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.267 9.100 -11.676 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.446 7.998 -10.956 1.00 0.00 H new ATOM 673 N GLY A 42 4.883 2.919 -13.388 1.00 0.00 N ATOM 674 CA GLY A 42 5.819 1.872 -13.900 1.00 0.00 C ATOM 675 C GLY A 42 5.358 0.482 -13.443 1.00 0.00 C ATOM 676 O GLY A 42 4.972 -0.341 -14.252 1.00 0.00 O ATOM 0 H GLY A 42 4.485 2.738 -12.466 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.859 1.910 -14.989 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.828 2.066 -13.537 1.00 0.00 H new ATOM 680 N GLY A 43 5.401 0.207 -12.156 1.00 0.00 N ATOM 681 CA GLY A 43 4.972 -1.133 -11.665 1.00 0.00 C ATOM 682 C GLY A 43 6.197 -2.051 -11.562 1.00 0.00 C ATOM 683 O GLY A 43 6.148 -3.203 -11.954 1.00 0.00 O ATOM 0 H GLY A 43 5.714 0.854 -11.433 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.490 -1.039 -10.692 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.236 -1.564 -12.344 1.00 0.00 H new ATOM 687 N THR A 44 7.290 -1.559 -11.019 1.00 0.00 N ATOM 688 CA THR A 44 8.511 -2.414 -10.871 1.00 0.00 C ATOM 689 C THR A 44 8.950 -2.390 -9.401 1.00 0.00 C ATOM 690 O THR A 44 9.377 -1.371 -8.899 1.00 0.00 O ATOM 691 CB THR A 44 9.601 -1.809 -11.779 1.00 0.00 C ATOM 692 OG1 THR A 44 10.091 -0.585 -11.220 1.00 0.00 O ATOM 693 CG2 THR A 44 9.047 -1.575 -13.195 1.00 0.00 C ATOM 0 H THR A 44 7.387 -0.604 -10.673 1.00 0.00 H new ATOM 0 HA THR A 44 8.323 -3.449 -11.157 1.00 0.00 H new ATOM 0 HB THR A 44 10.431 -2.513 -11.846 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.676 -0.436 -10.345 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.827 -1.148 -13.825 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.718 -2.524 -13.618 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.203 -0.887 -13.146 1.00 0.00 H new ATOM 701 N VAL A 45 8.814 -3.498 -8.694 1.00 0.00 N ATOM 702 CA VAL A 45 9.195 -3.517 -7.229 1.00 0.00 C ATOM 703 C VAL A 45 10.595 -2.906 -7.009 1.00 0.00 C ATOM 704 O VAL A 45 10.825 -2.246 -6.014 1.00 0.00 O ATOM 705 CB VAL A 45 9.161 -4.995 -6.777 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.604 -5.107 -5.312 1.00 0.00 C ATOM 707 CG2 VAL A 45 7.732 -5.535 -6.903 1.00 0.00 C ATOM 0 H VAL A 45 8.460 -4.381 -9.061 1.00 0.00 H new ATOM 0 HA VAL A 45 8.499 -2.916 -6.644 1.00 0.00 H new ATOM 0 HB VAL A 45 9.837 -5.572 -7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.577 -6.152 -5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.619 -4.724 -5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.931 -4.525 -4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.707 -6.577 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.064 -4.947 -6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.407 -5.465 -7.941 1.00 0.00 H new ATOM 717 N GLU A 46 11.522 -3.105 -7.918 1.00 0.00 N ATOM 718 CA GLU A 46 12.889 -2.506 -7.713 1.00 0.00 C ATOM 719 C GLU A 46 12.797 -0.976 -7.778 1.00 0.00 C ATOM 720 O GLU A 46 13.225 -0.292 -6.866 1.00 0.00 O ATOM 721 CB GLU A 46 13.791 -3.041 -8.837 1.00 0.00 C ATOM 722 CG GLU A 46 15.234 -3.123 -8.338 1.00 0.00 C ATOM 723 CD GLU A 46 16.165 -3.422 -9.516 1.00 0.00 C ATOM 724 OE1 GLU A 46 16.084 -2.710 -10.503 1.00 0.00 O ATOM 725 OE2 GLU A 46 16.943 -4.356 -9.409 1.00 0.00 O ATOM 0 H GLU A 46 11.400 -3.643 -8.776 1.00 0.00 H new ATOM 0 HA GLU A 46 13.297 -2.776 -6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.448 -4.026 -9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.733 -2.387 -9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.520 -2.184 -7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.325 -3.903 -7.582 1.00 0.00 H new ATOM 732 N SER A 47 12.226 -0.430 -8.831 1.00 0.00 N ATOM 733 CA SER A 47 12.100 1.070 -8.904 1.00 0.00 C ATOM 734 C SER A 47 11.057 1.552 -7.882 1.00 0.00 C ATOM 735 O SER A 47 11.196 2.619 -7.314 1.00 0.00 O ATOM 736 CB SER A 47 11.655 1.421 -10.331 1.00 0.00 C ATOM 737 OG SER A 47 12.371 2.565 -10.777 1.00 0.00 O ATOM 0 H SER A 47 11.849 -0.943 -9.628 1.00 0.00 H new ATOM 0 HA SER A 47 13.048 1.556 -8.672 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.838 0.579 -10.999 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.583 1.617 -10.352 1.00 0.00 H new ATOM 0 HG SER A 47 12.091 2.791 -11.688 1.00 0.00 H new ATOM 743 N VAL A 48 10.020 0.774 -7.629 1.00 0.00 N ATOM 744 CA VAL A 48 8.992 1.211 -6.623 1.00 0.00 C ATOM 745 C VAL A 48 9.561 1.085 -5.200 1.00 0.00 C ATOM 746 O VAL A 48 9.273 1.907 -4.349 1.00 0.00 O ATOM 747 CB VAL A 48 7.763 0.299 -6.807 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.662 0.717 -5.828 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.236 0.430 -8.239 1.00 0.00 C ATOM 0 H VAL A 48 9.845 -0.129 -8.069 1.00 0.00 H new ATOM 0 HA VAL A 48 8.714 2.255 -6.771 1.00 0.00 H new ATOM 0 HB VAL A 48 8.052 -0.734 -6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.794 0.071 -5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.030 0.626 -4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.377 1.751 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.367 -0.215 -8.367 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.951 1.465 -8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.015 0.134 -8.942 1.00 0.00 H new ATOM 759 N VAL A 49 10.388 0.088 -4.930 1.00 0.00 N ATOM 760 CA VAL A 49 10.975 -0.021 -3.547 1.00 0.00 C ATOM 761 C VAL A 49 12.084 1.037 -3.395 1.00 0.00 C ATOM 762 O VAL A 49 12.215 1.651 -2.352 1.00 0.00 O ATOM 763 CB VAL A 49 11.530 -1.456 -3.405 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.351 -1.588 -2.116 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.360 -2.442 -3.347 1.00 0.00 C ATOM 0 H VAL A 49 10.674 -0.635 -5.590 1.00 0.00 H new ATOM 0 HA VAL A 49 10.236 0.161 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 49 12.170 -1.672 -4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.735 -2.605 -2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.185 -0.887 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.718 -1.367 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.744 -3.457 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.728 -2.207 -2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.773 -2.365 -4.262 1.00 0.00 H new ATOM 775 N ASP A 50 12.868 1.271 -4.431 1.00 0.00 N ATOM 776 CA ASP A 50 13.944 2.317 -4.321 1.00 0.00 C ATOM 777 C ASP A 50 13.298 3.707 -4.206 1.00 0.00 C ATOM 778 O ASP A 50 13.763 4.547 -3.458 1.00 0.00 O ATOM 779 CB ASP A 50 14.789 2.226 -5.602 1.00 0.00 C ATOM 780 CG ASP A 50 16.082 3.023 -5.419 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.951 2.549 -4.705 1.00 0.00 O ATOM 782 OD2 ASP A 50 16.182 4.094 -5.994 1.00 0.00 O ATOM 0 H ASP A 50 12.811 0.793 -5.330 1.00 0.00 H new ATOM 0 HA ASP A 50 14.565 2.158 -3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.020 1.184 -5.825 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.226 2.616 -6.450 1.00 0.00 H new ATOM 787 N GLU A 51 12.225 3.958 -4.934 1.00 0.00 N ATOM 788 CA GLU A 51 11.562 5.308 -4.836 1.00 0.00 C ATOM 789 C GLU A 51 10.951 5.484 -3.442 1.00 0.00 C ATOM 790 O GLU A 51 11.066 6.536 -2.842 1.00 0.00 O ATOM 791 CB GLU A 51 10.458 5.357 -5.911 1.00 0.00 C ATOM 792 CG GLU A 51 10.952 6.156 -7.121 1.00 0.00 C ATOM 793 CD GLU A 51 11.366 5.197 -8.240 1.00 0.00 C ATOM 794 OE1 GLU A 51 10.490 4.554 -8.796 1.00 0.00 O ATOM 795 OE2 GLU A 51 12.550 5.122 -8.521 1.00 0.00 O ATOM 0 H GLU A 51 11.787 3.300 -5.579 1.00 0.00 H new ATOM 0 HA GLU A 51 12.284 6.109 -4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.189 4.346 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.558 5.817 -5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.166 6.823 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.797 6.782 -6.835 1.00 0.00 H new ATOM 802 N LEU A 52 10.320 4.460 -2.910 1.00 0.00 N ATOM 803 CA LEU A 52 9.730 4.591 -1.533 1.00 0.00 C ATOM 804 C LEU A 52 10.860 4.603 -0.497 1.00 0.00 C ATOM 805 O LEU A 52 10.793 5.320 0.481 1.00 0.00 O ATOM 806 CB LEU A 52 8.812 3.378 -1.317 1.00 0.00 C ATOM 807 CG LEU A 52 7.634 3.452 -2.290 1.00 0.00 C ATOM 808 CD1 LEU A 52 6.981 2.073 -2.406 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.605 4.459 -1.772 1.00 0.00 C ATOM 0 H LEU A 52 10.189 3.554 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 52 9.163 5.516 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.369 2.454 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.449 3.362 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 52 7.993 3.769 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.141 2.125 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.712 1.354 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.623 1.756 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.766 4.511 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.247 4.142 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.068 5.442 -1.688 1.00 0.00 H new ATOM 821 N ALA A 53 11.910 3.833 -0.708 1.00 0.00 N ATOM 822 CA ALA A 53 13.047 3.842 0.278 1.00 0.00 C ATOM 823 C ALA A 53 13.740 5.213 0.253 1.00 0.00 C ATOM 824 O ALA A 53 14.147 5.720 1.282 1.00 0.00 O ATOM 825 CB ALA A 53 14.027 2.740 -0.158 1.00 0.00 C ATOM 0 H ALA A 53 12.028 3.209 -1.506 1.00 0.00 H new ATOM 0 HA ALA A 53 12.693 3.662 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.871 2.710 0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.518 1.776 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.388 2.952 -1.164 1.00 0.00 H new ATOM 831 N SER A 54 13.875 5.826 -0.910 1.00 0.00 N ATOM 832 CA SER A 54 14.544 7.178 -0.964 1.00 0.00 C ATOM 833 C SER A 54 13.772 8.187 -0.098 1.00 0.00 C ATOM 834 O SER A 54 14.364 9.038 0.538 1.00 0.00 O ATOM 835 CB SER A 54 14.533 7.625 -2.434 1.00 0.00 C ATOM 836 OG SER A 54 13.365 7.123 -3.070 1.00 0.00 O ATOM 0 H SER A 54 13.558 5.458 -1.807 1.00 0.00 H new ATOM 0 HA SER A 54 15.563 7.123 -0.581 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.555 8.713 -2.495 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.424 7.259 -2.944 1.00 0.00 H new ATOM 0 HG SER A 54 12.606 7.179 -2.452 1.00 0.00 H new ATOM 842 N LEU A 55 12.457 8.096 -0.055 1.00 0.00 N ATOM 843 CA LEU A 55 11.669 9.058 0.792 1.00 0.00 C ATOM 844 C LEU A 55 11.416 8.445 2.176 1.00 0.00 C ATOM 845 O LEU A 55 11.521 9.117 3.185 1.00 0.00 O ATOM 846 CB LEU A 55 10.340 9.291 0.058 1.00 0.00 C ATOM 847 CG LEU A 55 10.472 10.498 -0.872 1.00 0.00 C ATOM 848 CD1 LEU A 55 11.031 10.042 -2.222 1.00 0.00 C ATOM 849 CD2 LEU A 55 9.096 11.132 -1.080 1.00 0.00 C ATOM 0 H LEU A 55 11.902 7.407 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 55 12.204 9.996 0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.070 8.405 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.540 9.460 0.779 1.00 0.00 H new ATOM 0 HG LEU A 55 11.147 11.229 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.125 10.901 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.011 9.587 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.355 9.312 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.188 11.993 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.422 10.401 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.695 11.455 -0.119 1.00 0.00 H new ATOM 861 N PHE A 56 11.093 7.171 2.234 1.00 0.00 N ATOM 862 CA PHE A 56 10.846 6.513 3.553 1.00 0.00 C ATOM 863 C PHE A 56 11.981 5.519 3.844 1.00 0.00 C ATOM 864 O PHE A 56 11.799 4.320 3.744 1.00 0.00 O ATOM 865 CB PHE A 56 9.507 5.775 3.405 1.00 0.00 C ATOM 866 CG PHE A 56 8.423 6.749 3.000 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.001 7.741 3.893 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.843 6.660 1.728 1.00 0.00 C ATOM 869 CE1 PHE A 56 6.998 8.643 3.515 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.844 7.563 1.349 1.00 0.00 C ATOM 871 CZ PHE A 56 6.421 8.554 2.243 1.00 0.00 C ATOM 0 H PHE A 56 10.991 6.562 1.422 1.00 0.00 H new ATOM 0 HA PHE A 56 10.812 7.228 4.375 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.597 4.987 2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.242 5.293 4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.449 7.811 4.873 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.167 5.894 1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.670 9.407 4.205 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.399 7.496 0.367 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.649 9.250 1.951 1.00 0.00 H new ATOM 881 N ASP A 57 13.152 6.005 4.207 1.00 0.00 N ATOM 882 CA ASP A 57 14.288 5.070 4.503 1.00 0.00 C ATOM 883 C ASP A 57 14.487 4.913 6.023 1.00 0.00 C ATOM 884 O ASP A 57 15.585 4.650 6.476 1.00 0.00 O ATOM 885 CB ASP A 57 15.528 5.709 3.865 1.00 0.00 C ATOM 886 CG ASP A 57 16.384 4.625 3.206 1.00 0.00 C ATOM 887 OD1 ASP A 57 15.827 3.818 2.480 1.00 0.00 O ATOM 888 OD2 ASP A 57 17.581 4.621 3.438 1.00 0.00 O ATOM 0 H ASP A 57 13.366 6.997 4.309 1.00 0.00 H new ATOM 0 HA ASP A 57 14.096 4.073 4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.227 6.449 3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.109 6.235 4.623 1.00 0.00 H new ATOM 893 N SER A 58 13.441 5.055 6.815 1.00 0.00 N ATOM 894 CA SER A 58 13.602 4.890 8.300 1.00 0.00 C ATOM 895 C SER A 58 13.205 3.465 8.720 1.00 0.00 C ATOM 896 O SER A 58 13.840 2.870 9.571 1.00 0.00 O ATOM 897 CB SER A 58 12.669 5.922 8.945 1.00 0.00 C ATOM 898 OG SER A 58 13.044 6.109 10.304 1.00 0.00 O ATOM 0 H SER A 58 12.496 5.275 6.501 1.00 0.00 H new ATOM 0 HA SER A 58 14.635 5.043 8.612 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.726 6.868 8.406 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.635 5.583 8.884 1.00 0.00 H new ATOM 0 HG SER A 58 12.451 6.769 10.719 1.00 0.00 H new ATOM 904 N VAL A 59 12.166 2.910 8.130 1.00 0.00 N ATOM 905 CA VAL A 59 11.749 1.513 8.505 1.00 0.00 C ATOM 906 C VAL A 59 12.555 0.482 7.697 1.00 0.00 C ATOM 907 O VAL A 59 13.078 0.786 6.643 1.00 0.00 O ATOM 908 CB VAL A 59 10.241 1.403 8.198 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.984 1.523 6.686 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.726 0.052 8.700 1.00 0.00 C ATOM 0 H VAL A 59 11.594 3.357 7.413 1.00 0.00 H new ATOM 0 HA VAL A 59 11.940 1.311 9.559 1.00 0.00 H new ATOM 0 HB VAL A 59 9.717 2.215 8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.915 1.443 6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.346 2.488 6.331 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.509 0.724 6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.660 -0.033 8.487 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.263 -0.752 8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.888 -0.022 9.775 1.00 0.00 H new ATOM 920 N SER A 60 12.664 -0.738 8.188 1.00 0.00 N ATOM 921 CA SER A 60 13.452 -1.790 7.439 1.00 0.00 C ATOM 922 C SER A 60 12.999 -1.874 5.969 1.00 0.00 C ATOM 923 O SER A 60 11.818 -1.847 5.680 1.00 0.00 O ATOM 924 CB SER A 60 13.180 -3.127 8.145 1.00 0.00 C ATOM 925 OG SER A 60 13.780 -3.108 9.434 1.00 0.00 O ATOM 0 H SER A 60 12.247 -1.051 9.065 1.00 0.00 H new ATOM 0 HA SER A 60 14.514 -1.544 7.439 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.106 -3.293 8.233 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.583 -3.951 7.556 1.00 0.00 H new ATOM 0 HG SER A 60 13.607 -3.959 9.888 1.00 0.00 H new ATOM 931 N ARG A 61 13.929 -1.980 5.036 1.00 0.00 N ATOM 932 CA ARG A 61 13.541 -2.066 3.577 1.00 0.00 C ATOM 933 C ARG A 61 12.490 -3.167 3.355 1.00 0.00 C ATOM 934 O ARG A 61 11.605 -3.024 2.533 1.00 0.00 O ATOM 935 CB ARG A 61 14.823 -2.409 2.800 1.00 0.00 C ATOM 936 CG ARG A 61 15.739 -1.184 2.761 1.00 0.00 C ATOM 937 CD ARG A 61 15.385 -0.320 1.548 1.00 0.00 C ATOM 938 NE ARG A 61 16.370 0.796 1.571 1.00 0.00 N ATOM 939 CZ ARG A 61 17.465 0.715 0.866 1.00 0.00 C ATOM 940 NH1 ARG A 61 17.406 0.390 -0.397 1.00 0.00 N ATOM 941 NH2 ARG A 61 18.619 0.960 1.424 1.00 0.00 N ATOM 0 H ARG A 61 14.932 -2.011 5.218 1.00 0.00 H new ATOM 0 HA ARG A 61 13.107 -1.125 3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.336 -3.245 3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.574 -2.722 1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.629 -0.605 3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.781 -1.498 2.706 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.457 -0.891 0.622 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.363 0.054 1.614 1.00 0.00 H new ATOM 0 HE ARG A 61 16.189 1.624 2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 61 16.504 0.199 -0.833 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.262 0.327 -0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.665 1.215 2.411 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.475 0.897 0.873 1.00 0.00 H new ATOM 955 N ASP A 62 12.579 -4.264 4.079 1.00 0.00 N ATOM 956 CA ASP A 62 11.566 -5.367 3.887 1.00 0.00 C ATOM 957 C ASP A 62 10.146 -4.840 4.147 1.00 0.00 C ATOM 958 O ASP A 62 9.213 -5.209 3.457 1.00 0.00 O ATOM 959 CB ASP A 62 11.913 -6.472 4.898 1.00 0.00 C ATOM 960 CG ASP A 62 11.366 -7.810 4.399 1.00 0.00 C ATOM 961 OD1 ASP A 62 11.718 -8.199 3.298 1.00 0.00 O ATOM 962 OD2 ASP A 62 10.604 -8.424 5.128 1.00 0.00 O ATOM 0 H ASP A 62 13.295 -4.445 4.783 1.00 0.00 H new ATOM 0 HA ASP A 62 11.595 -5.747 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.993 -6.534 5.028 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.488 -6.234 5.873 1.00 0.00 H new ATOM 967 N THR A 63 9.970 -3.982 5.130 1.00 0.00 N ATOM 968 CA THR A 63 8.589 -3.445 5.408 1.00 0.00 C ATOM 969 C THR A 63 8.095 -2.633 4.202 1.00 0.00 C ATOM 970 O THR A 63 6.954 -2.757 3.797 1.00 0.00 O ATOM 971 CB THR A 63 8.701 -2.552 6.658 1.00 0.00 C ATOM 972 OG1 THR A 63 9.151 -3.338 7.753 1.00 0.00 O ATOM 973 CG2 THR A 63 7.334 -1.948 6.989 1.00 0.00 C ATOM 0 H THR A 63 10.707 -3.634 5.743 1.00 0.00 H new ATOM 0 HA THR A 63 7.875 -4.251 5.577 1.00 0.00 H new ATOM 0 HB THR A 63 9.410 -1.746 6.467 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.226 -2.774 8.551 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.419 -1.317 7.874 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.988 -1.348 6.148 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.620 -2.748 7.181 1.00 0.00 H new ATOM 981 N LEU A 64 8.943 -1.813 3.617 1.00 0.00 N ATOM 982 CA LEU A 64 8.491 -1.013 2.423 1.00 0.00 C ATOM 983 C LEU A 64 8.183 -1.968 1.267 1.00 0.00 C ATOM 984 O LEU A 64 7.163 -1.851 0.614 1.00 0.00 O ATOM 985 CB LEU A 64 9.648 -0.073 2.040 1.00 0.00 C ATOM 986 CG LEU A 64 9.986 0.858 3.219 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.432 0.628 3.661 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.819 2.319 2.787 1.00 0.00 C ATOM 0 H LEU A 64 9.910 -1.663 3.906 1.00 0.00 H new ATOM 0 HA LEU A 64 7.592 -0.438 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.526 -0.658 1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.372 0.518 1.167 1.00 0.00 H new ATOM 0 HG LEU A 64 9.312 0.641 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.667 1.289 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.557 -0.409 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.105 0.840 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.059 2.975 3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.490 2.531 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.789 2.491 2.475 1.00 0.00 H new ATOM 1000 N ALA A 65 9.053 -2.923 1.014 1.00 0.00 N ATOM 1001 CA ALA A 65 8.788 -3.897 -0.106 1.00 0.00 C ATOM 1002 C ALA A 65 7.463 -4.638 0.144 1.00 0.00 C ATOM 1003 O ALA A 65 6.723 -4.915 -0.782 1.00 0.00 O ATOM 1004 CB ALA A 65 9.957 -4.895 -0.114 1.00 0.00 C ATOM 0 H ALA A 65 9.923 -3.071 1.525 1.00 0.00 H new ATOM 0 HA ALA A 65 8.708 -3.381 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.809 -5.623 -0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.892 -4.359 -0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.001 -5.412 0.845 1.00 0.00 H new ATOM 1010 N ASN A 66 7.154 -4.961 1.385 1.00 0.00 N ATOM 1011 CA ASN A 66 5.862 -5.685 1.669 1.00 0.00 C ATOM 1012 C ASN A 66 4.662 -4.853 1.187 1.00 0.00 C ATOM 1013 O ASN A 66 3.690 -5.401 0.701 1.00 0.00 O ATOM 1014 CB ASN A 66 5.789 -5.885 3.191 1.00 0.00 C ATOM 1015 CG ASN A 66 6.535 -7.168 3.576 1.00 0.00 C ATOM 1016 OD1 ASN A 66 6.167 -8.244 3.148 1.00 0.00 O ATOM 1017 ND2 ASN A 66 7.576 -7.107 4.371 1.00 0.00 N ATOM 0 H ASN A 66 7.730 -4.759 2.202 1.00 0.00 H new ATOM 0 HA ASN A 66 5.831 -6.640 1.145 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.229 -5.029 3.702 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.749 -5.947 3.511 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.073 -7.960 4.627 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.889 -6.206 4.733 1.00 0.00 H new ATOM 1024 N VAL A 67 4.715 -3.538 1.308 1.00 0.00 N ATOM 1025 CA VAL A 67 3.550 -2.709 0.833 1.00 0.00 C ATOM 1026 C VAL A 67 3.511 -2.721 -0.705 1.00 0.00 C ATOM 1027 O VAL A 67 2.454 -2.843 -1.295 1.00 0.00 O ATOM 1028 CB VAL A 67 3.762 -1.284 1.373 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.614 -0.383 0.913 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.787 -1.321 2.904 1.00 0.00 C ATOM 0 H VAL A 67 5.495 -3.015 1.705 1.00 0.00 H new ATOM 0 HA VAL A 67 2.599 -3.104 1.191 1.00 0.00 H new ATOM 0 HB VAL A 67 4.707 -0.892 0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.767 0.626 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.586 -0.356 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.670 -0.776 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.937 -0.313 3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.840 -1.714 3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.602 -1.963 3.239 1.00 0.00 H new ATOM 1040 N VAL A 68 4.652 -2.625 -1.362 1.00 0.00 N ATOM 1041 CA VAL A 68 4.644 -2.668 -2.870 1.00 0.00 C ATOM 1042 C VAL A 68 4.127 -4.047 -3.322 1.00 0.00 C ATOM 1043 O VAL A 68 3.381 -4.147 -4.278 1.00 0.00 O ATOM 1044 CB VAL A 68 6.098 -2.455 -3.336 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.166 -2.519 -4.864 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.589 -1.081 -2.869 1.00 0.00 C ATOM 0 H VAL A 68 5.570 -2.521 -0.931 1.00 0.00 H new ATOM 0 HA VAL A 68 3.998 -1.900 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 68 6.728 -3.236 -2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.195 -2.368 -5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.818 -3.495 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.533 -1.740 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.617 -0.931 -3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.954 -0.304 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.546 -1.030 -1.781 1.00 0.00 H new ATOM 1056 N GLN A 69 4.504 -5.115 -2.634 1.00 0.00 N ATOM 1057 CA GLN A 69 4.002 -6.479 -3.039 1.00 0.00 C ATOM 1058 C GLN A 69 2.464 -6.504 -3.025 1.00 0.00 C ATOM 1059 O GLN A 69 1.848 -7.128 -3.870 1.00 0.00 O ATOM 1060 CB GLN A 69 4.555 -7.482 -2.013 1.00 0.00 C ATOM 1061 CG GLN A 69 4.391 -8.904 -2.549 1.00 0.00 C ATOM 1062 CD GLN A 69 5.584 -9.254 -3.448 1.00 0.00 C ATOM 1063 OE1 GLN A 69 5.464 -9.252 -4.657 1.00 0.00 O ATOM 1064 NE2 GLN A 69 6.741 -9.557 -2.911 1.00 0.00 N ATOM 0 H GLN A 69 5.126 -5.100 -1.825 1.00 0.00 H new ATOM 0 HA GLN A 69 4.330 -6.730 -4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.607 -7.275 -1.817 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.028 -7.376 -1.065 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.326 -9.610 -1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.461 -8.987 -3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.847 -9.560 -1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.535 -9.790 -3.508 1.00 0.00 H new ATOM 1073 N THR A 70 1.834 -5.818 -2.089 1.00 0.00 N ATOM 1074 CA THR A 70 0.328 -5.807 -2.065 1.00 0.00 C ATOM 1075 C THR A 70 -0.168 -5.072 -3.299 1.00 0.00 C ATOM 1076 O THR A 70 -1.064 -5.526 -3.984 1.00 0.00 O ATOM 1077 CB THR A 70 -0.119 -5.026 -0.821 1.00 0.00 C ATOM 1078 OG1 THR A 70 0.239 -3.659 -0.968 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.542 -5.589 0.426 1.00 0.00 C ATOM 0 H THR A 70 2.288 -5.275 -1.354 1.00 0.00 H new ATOM 0 HA THR A 70 -0.066 -6.823 -2.047 1.00 0.00 H new ATOM 0 HB THR A 70 -1.200 -5.118 -0.718 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.214 -3.570 -0.928 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.214 -5.024 1.298 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.262 -6.636 0.545 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.625 -5.512 0.330 1.00 0.00 H new ATOM 1087 N ALA A 71 0.411 -3.923 -3.586 1.00 0.00 N ATOM 1088 CA ALA A 71 -0.046 -3.154 -4.786 1.00 0.00 C ATOM 1089 C ALA A 71 0.141 -4.012 -6.050 1.00 0.00 C ATOM 1090 O ALA A 71 -0.710 -4.031 -6.920 1.00 0.00 O ATOM 1091 CB ALA A 71 0.814 -1.882 -4.876 1.00 0.00 C ATOM 0 H ALA A 71 1.166 -3.495 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.101 -2.893 -4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.507 -1.296 -5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.682 -1.289 -3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.863 -2.159 -4.979 1.00 0.00 H new ATOM 1097 N PHE A 72 1.239 -4.742 -6.149 1.00 0.00 N ATOM 1098 CA PHE A 72 1.445 -5.614 -7.358 1.00 0.00 C ATOM 1099 C PHE A 72 0.350 -6.686 -7.376 1.00 0.00 C ATOM 1100 O PHE A 72 -0.314 -6.886 -8.377 1.00 0.00 O ATOM 1101 CB PHE A 72 2.829 -6.271 -7.206 1.00 0.00 C ATOM 1102 CG PHE A 72 3.888 -5.372 -7.798 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.991 -4.039 -7.379 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.766 -5.871 -8.765 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.969 -3.208 -7.932 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.746 -5.038 -9.315 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.845 -3.707 -8.898 1.00 0.00 C ATOM 0 H PHE A 72 1.987 -4.770 -5.457 1.00 0.00 H new ATOM 0 HA PHE A 72 1.395 -5.044 -8.286 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.041 -6.454 -6.153 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.839 -7.239 -7.706 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.315 -3.654 -6.629 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.688 -6.899 -9.087 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.047 -2.179 -7.612 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.426 -5.423 -10.061 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.601 -3.064 -9.324 1.00 0.00 H new ATOM 1117 N PHE A 73 0.134 -7.357 -6.262 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.953 -8.396 -6.217 1.00 0.00 C ATOM 1119 C PHE A 73 -2.310 -7.707 -6.458 1.00 0.00 C ATOM 1120 O PHE A 73 -3.166 -8.242 -7.138 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.893 -9.027 -4.809 1.00 0.00 C ATOM 1122 CG PHE A 73 -2.027 -10.011 -4.619 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -2.275 -10.998 -5.580 1.00 0.00 C ATOM 1124 CD2 PHE A 73 -2.827 -9.931 -3.473 1.00 0.00 C ATOM 1125 CE1 PHE A 73 -3.325 -11.906 -5.395 1.00 0.00 C ATOM 1126 CE2 PHE A 73 -3.877 -10.839 -3.289 1.00 0.00 C ATOM 1127 CZ PHE A 73 -4.126 -11.826 -4.249 1.00 0.00 C ATOM 0 H PHE A 73 0.655 -7.233 -5.394 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.827 -9.164 -6.981 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.062 -9.534 -4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.951 -8.246 -4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.657 -11.059 -6.464 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.635 -9.170 -2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.517 -12.668 -6.136 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.495 -10.777 -2.405 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.936 -12.526 -4.106 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.512 -6.519 -5.912 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.823 -5.813 -6.133 1.00 0.00 C ATOM 1139 C ALA A 74 -4.029 -5.554 -7.631 1.00 0.00 C ATOM 1140 O ALA A 74 -5.125 -5.705 -8.140 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.748 -4.478 -5.373 1.00 0.00 C ATOM 0 H ALA A 74 -1.837 -6.018 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.658 -6.416 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.681 -3.931 -5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.589 -4.672 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.921 -3.884 -5.761 1.00 0.00 H new ATOM 1147 N LEU A 75 -2.991 -5.166 -8.349 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.169 -4.907 -9.827 1.00 0.00 C ATOM 1149 C LEU A 75 -3.689 -6.171 -10.523 1.00 0.00 C ATOM 1150 O LEU A 75 -4.554 -6.100 -11.377 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.791 -4.521 -10.397 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.702 -3.000 -10.540 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -0.277 -2.608 -10.937 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -2.680 -2.531 -11.623 1.00 0.00 C ATOM 0 H LEU A 75 -2.048 -5.020 -7.988 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.891 -4.108 -9.993 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.000 -4.881 -9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.641 -4.997 -11.366 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.958 -2.530 -9.590 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.213 -1.525 -11.039 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.420 -2.942 -10.168 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.022 -3.078 -11.887 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.617 -1.448 -11.725 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.424 -3.001 -12.573 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.695 -2.811 -11.342 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.184 -7.331 -10.159 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.685 -8.593 -10.809 1.00 0.00 C ATOM 1168 C GLU A 76 -5.121 -8.866 -10.345 1.00 0.00 C ATOM 1169 O GLU A 76 -5.969 -9.240 -11.135 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.751 -9.730 -10.363 1.00 0.00 C ATOM 1171 CG GLU A 76 -1.459 -9.681 -11.181 1.00 0.00 C ATOM 1172 CD GLU A 76 -1.770 -9.988 -12.647 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -2.229 -11.086 -12.917 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -1.542 -9.122 -13.475 1.00 0.00 O ATOM 0 H GLU A 76 -2.459 -7.459 -9.453 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.689 -8.509 -11.896 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.525 -9.634 -9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.243 -10.693 -10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.999 -8.697 -11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.742 -10.404 -10.791 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.410 -8.665 -9.076 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.813 -8.900 -8.588 1.00 0.00 C ATOM 1183 C ALA A 77 -7.750 -7.850 -9.202 1.00 0.00 C ATOM 1184 O ALA A 77 -8.863 -8.161 -9.585 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.785 -8.765 -7.057 1.00 0.00 C ATOM 0 H ALA A 77 -4.747 -8.353 -8.367 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.175 -9.887 -8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.786 -8.929 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.103 -9.505 -6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.446 -7.765 -6.786 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.310 -6.611 -9.313 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.198 -5.561 -9.925 1.00 0.00 C ATOM 1193 C LEU A 78 -8.484 -5.923 -11.390 1.00 0.00 C ATOM 1194 O LEU A 78 -9.596 -5.773 -11.861 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.436 -4.227 -9.850 1.00 0.00 C ATOM 1196 CG LEU A 78 -7.737 -3.537 -8.518 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -6.784 -2.355 -8.329 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -9.183 -3.031 -8.519 1.00 0.00 C ATOM 0 H LEU A 78 -6.391 -6.286 -9.012 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.149 -5.491 -9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.365 -4.403 -9.946 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.729 -3.583 -10.679 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.601 -4.248 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.998 -1.863 -7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.755 -2.714 -8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.919 -1.645 -9.145 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.397 -2.540 -7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.319 -2.321 -9.334 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.863 -3.872 -8.653 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.492 -6.405 -12.116 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.737 -6.777 -13.556 1.00 0.00 C ATOM 1212 C GLN A 79 -8.848 -7.839 -13.664 1.00 0.00 C ATOM 1213 O GLN A 79 -9.560 -7.886 -14.650 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.414 -7.343 -14.100 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.421 -6.199 -14.316 1.00 0.00 C ATOM 1216 CD GLN A 79 -3.990 -6.751 -14.298 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -3.762 -7.876 -14.694 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.007 -6.006 -13.854 1.00 0.00 N ATOM 0 H GLN A 79 -6.540 -6.555 -11.781 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.061 -5.907 -14.127 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.002 -8.070 -13.400 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.589 -7.869 -15.039 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.620 -5.706 -15.268 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.542 -5.447 -13.536 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.194 -5.060 -13.520 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.055 -6.372 -13.842 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.008 -8.692 -12.668 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.087 -9.738 -12.752 1.00 0.00 C ATOM 1229 C GLN A 80 -11.410 -9.188 -12.199 1.00 0.00 C ATOM 1230 O GLN A 80 -12.465 -9.449 -12.744 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.606 -10.927 -11.909 1.00 0.00 C ATOM 1232 CG GLN A 80 -8.516 -11.685 -12.670 1.00 0.00 C ATOM 1233 CD GLN A 80 -8.322 -13.071 -12.045 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -9.273 -13.678 -11.590 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -7.128 -13.608 -11.998 1.00 0.00 N ATOM 0 H GLN A 80 -8.448 -8.709 -11.816 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.268 -10.036 -13.785 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -9.219 -10.575 -10.953 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.441 -11.592 -11.690 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.793 -11.784 -13.720 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.581 -11.126 -12.638 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.327 -13.104 -12.378 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.000 -14.530 -11.582 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.367 -8.428 -11.125 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.629 -7.870 -10.557 1.00 0.00 C ATOM 1246 C GLY A 81 -12.672 -8.111 -9.041 1.00 0.00 C ATOM 1247 O GLY A 81 -13.308 -9.039 -8.578 1.00 0.00 O ATOM 0 H GLY A 81 -10.515 -8.175 -10.624 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.691 -6.802 -10.766 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.490 -8.338 -11.033 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.011 -7.279 -8.260 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.035 -7.468 -6.775 1.00 0.00 C ATOM 1253 C GLU A 82 -12.590 -6.208 -6.089 1.00 0.00 C ATOM 1254 O GLU A 82 -12.854 -5.214 -6.740 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.576 -7.722 -6.365 1.00 0.00 C ATOM 1256 CG GLU A 82 -9.694 -6.519 -6.729 1.00 0.00 C ATOM 1257 CD GLU A 82 -8.481 -6.472 -5.796 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -8.623 -6.861 -4.648 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -7.431 -6.044 -6.246 1.00 0.00 O ATOM 0 H GLU A 82 -11.461 -6.485 -8.588 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.678 -8.297 -6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.521 -7.908 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.203 -8.617 -6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.366 -6.596 -7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.267 -5.596 -6.644 1.00 0.00 H new ATOM 1266 N SER A 83 -12.769 -6.235 -4.782 1.00 0.00 N ATOM 1267 CA SER A 83 -13.304 -5.031 -4.078 1.00 0.00 C ATOM 1268 C SER A 83 -12.268 -4.487 -3.085 1.00 0.00 C ATOM 1269 O SER A 83 -11.641 -5.242 -2.363 1.00 0.00 O ATOM 1270 CB SER A 83 -14.547 -5.516 -3.335 1.00 0.00 C ATOM 1271 OG SER A 83 -15.585 -5.773 -4.272 1.00 0.00 O ATOM 0 H SER A 83 -12.567 -7.035 -4.183 1.00 0.00 H new ATOM 0 HA SER A 83 -13.534 -4.224 -4.773 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.318 -6.421 -2.772 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.870 -4.765 -2.614 1.00 0.00 H new ATOM 0 HG SER A 83 -16.384 -6.086 -3.798 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.082 -3.184 -3.035 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.082 -2.604 -2.076 1.00 0.00 C ATOM 1279 C ALA A 84 -11.774 -2.079 -0.800 1.00 0.00 C ATOM 1280 O ALA A 84 -11.201 -2.125 0.272 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.393 -1.456 -2.829 1.00 0.00 C ATOM 0 H ALA A 84 -12.576 -2.503 -3.612 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.366 -3.359 -1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.650 -0.990 -2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.903 -1.848 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.136 -0.714 -3.120 1.00 0.00 H new ATOM 1287 N GLU A 85 -12.994 -1.575 -0.895 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.684 -1.050 0.342 1.00 0.00 C ATOM 1289 C GLU A 85 -13.780 -2.149 1.411 1.00 0.00 C ATOM 1290 O GLU A 85 -13.601 -1.888 2.586 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.094 -0.611 -0.087 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.681 0.323 0.971 1.00 0.00 C ATOM 1293 CD GLU A 85 -15.337 1.772 0.623 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -14.185 2.028 0.313 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -16.230 2.602 0.672 1.00 0.00 O ATOM 0 H GLU A 85 -13.532 -1.505 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.125 -0.219 0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.051 -0.104 -1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.735 -1.483 -0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.763 0.197 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.284 0.070 1.954 1.00 0.00 H new ATOM 1302 N ASN A 86 -14.057 -3.376 1.019 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.157 -4.484 2.042 1.00 0.00 C ATOM 1304 C ASN A 86 -12.843 -4.597 2.834 1.00 0.00 C ATOM 1305 O ASN A 86 -12.858 -4.858 4.022 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.418 -5.784 1.263 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.924 -5.938 1.015 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.727 -5.408 1.759 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.351 -6.643 -0.004 1.00 0.00 N ATOM 0 H ASN A 86 -14.216 -3.659 0.052 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.957 -4.286 2.755 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.882 -5.766 0.314 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.042 -6.639 1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.352 -6.745 -0.170 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.682 -7.090 -0.631 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.706 -4.396 2.193 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.405 -4.491 2.947 1.00 0.00 C ATOM 1318 C ILE A 87 -10.347 -3.383 4.018 1.00 0.00 C ATOM 1319 O ILE A 87 -9.848 -3.601 5.107 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.272 -4.315 1.912 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.301 -5.475 0.900 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.910 -4.296 2.617 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -9.128 -6.817 1.621 1.00 0.00 C ATOM 0 H ILE A 87 -11.623 -4.175 1.201 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.306 -5.450 3.456 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.422 -3.370 1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.245 -5.467 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.507 -5.345 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.119 -4.171 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.878 -3.468 3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.763 -5.235 3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.151 -7.627 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.173 -6.828 2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.938 -6.952 2.338 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.853 -2.197 3.727 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.812 -1.096 4.760 1.00 0.00 C ATOM 1337 C VAL A 88 -11.570 -1.530 6.025 1.00 0.00 C ATOM 1338 O VAL A 88 -11.159 -1.220 7.129 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.479 0.142 4.131 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.473 1.300 5.134 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.697 0.559 2.885 1.00 0.00 C ATOM 0 H VAL A 88 -11.284 -1.947 2.837 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.785 -0.872 5.050 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.507 -0.102 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.946 2.173 4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.024 1.009 6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.445 1.542 5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.166 1.435 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.671 0.799 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.696 -0.260 2.165 1.00 0.00 H new ATOM 1351 N SER A 89 -12.669 -2.249 5.887 1.00 0.00 N ATOM 1352 CA SER A 89 -13.429 -2.695 7.115 1.00 0.00 C ATOM 1353 C SER A 89 -12.491 -3.486 8.039 1.00 0.00 C ATOM 1354 O SER A 89 -12.496 -3.296 9.241 1.00 0.00 O ATOM 1355 CB SER A 89 -14.577 -3.594 6.629 1.00 0.00 C ATOM 1356 OG SER A 89 -15.527 -3.748 7.675 1.00 0.00 O ATOM 0 H SER A 89 -13.068 -2.543 4.995 1.00 0.00 H new ATOM 0 HA SER A 89 -13.817 -1.843 7.673 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.052 -3.155 5.752 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.190 -4.567 6.328 1.00 0.00 H new ATOM 0 HG SER A 89 -16.262 -4.319 7.368 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.665 -4.350 7.484 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.707 -5.122 8.352 1.00 0.00 C ATOM 1364 C LYS A 90 -9.632 -4.172 8.903 1.00 0.00 C ATOM 1365 O LYS A 90 -9.188 -4.327 10.026 1.00 0.00 O ATOM 1366 CB LYS A 90 -10.066 -6.200 7.464 1.00 0.00 C ATOM 1367 CG LYS A 90 -9.471 -7.299 8.346 1.00 0.00 C ATOM 1368 CD LYS A 90 -9.583 -8.647 7.629 1.00 0.00 C ATOM 1369 CE LYS A 90 -9.722 -9.766 8.663 1.00 0.00 C ATOM 1370 NZ LYS A 90 -10.649 -10.752 8.038 1.00 0.00 N ATOM 0 H LYS A 90 -11.612 -4.552 6.486 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.218 -5.579 9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.812 -6.623 6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.289 -5.758 6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.427 -7.078 8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.996 -7.338 9.300 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.445 -8.645 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.701 -8.816 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.756 -10.219 8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.123 -9.388 9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.795 -11.551 8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.562 -10.294 7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.238 -11.100 7.148 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.217 -3.179 8.136 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.179 -2.225 8.659 1.00 0.00 C ATOM 1386 C ILE A 91 -8.808 -1.318 9.727 1.00 0.00 C ATOM 1387 O ILE A 91 -8.187 -1.023 10.730 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.689 -1.389 7.457 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.080 -2.311 6.387 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.629 -0.387 7.921 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -5.940 -3.142 6.989 1.00 0.00 C ATOM 0 H ILE A 91 -9.547 -2.992 7.189 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.345 -2.755 9.118 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.538 -0.854 7.032 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.849 -2.972 5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.705 -1.716 5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.286 0.201 7.069 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.059 0.277 8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.785 -0.924 8.354 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.518 -3.790 6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.165 -2.476 7.368 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.326 -3.751 7.806 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.036 -0.883 9.529 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.684 -0.002 10.565 1.00 0.00 C ATOM 1405 C ARG A 92 -10.921 -0.798 11.856 1.00 0.00 C ATOM 1406 O ARG A 92 -10.760 -0.273 12.943 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.023 0.472 9.976 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.631 1.542 10.886 1.00 0.00 C ATOM 1409 CD ARG A 92 -13.906 2.094 10.245 1.00 0.00 C ATOM 1410 NE ARG A 92 -14.995 1.199 10.724 1.00 0.00 N ATOM 1411 CZ ARG A 92 -15.757 0.581 9.864 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -15.230 0.017 8.813 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -17.047 0.528 10.057 1.00 0.00 N ATOM 0 H ARG A 92 -10.609 -1.094 8.712 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.048 0.848 10.811 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.870 0.875 8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.708 -0.370 9.879 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.858 1.117 11.864 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.914 2.347 11.047 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.083 3.127 10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.837 2.085 9.157 1.00 0.00 H new ATOM 0 HE ARG A 92 -15.145 1.069 11.724 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.222 0.059 8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.826 -0.466 8.141 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -17.458 0.969 10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -17.644 0.045 9.385 1.00 0.00 H new ATOM 1427 N MET A 93 -11.289 -2.060 11.756 1.00 0.00 N ATOM 1428 CA MET A 93 -11.513 -2.865 13.007 1.00 0.00 C ATOM 1429 C MET A 93 -10.166 -3.147 13.686 1.00 0.00 C ATOM 1430 O MET A 93 -10.057 -3.087 14.897 1.00 0.00 O ATOM 1431 CB MET A 93 -12.187 -4.179 12.581 1.00 0.00 C ATOM 1432 CG MET A 93 -13.673 -3.930 12.322 1.00 0.00 C ATOM 1433 SD MET A 93 -14.608 -5.442 12.662 1.00 0.00 S ATOM 1434 CE MET A 93 -16.015 -5.089 11.580 1.00 0.00 C ATOM 0 H MET A 93 -11.441 -2.559 10.880 1.00 0.00 H new ATOM 0 HA MET A 93 -12.141 -2.328 13.718 1.00 0.00 H new ATOM 0 HB2 MET A 93 -11.711 -4.569 11.682 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.064 -4.932 13.359 1.00 0.00 H new ATOM 0 HG2 MET A 93 -14.032 -3.118 12.954 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.826 -3.620 11.288 1.00 0.00 H new ATOM 0 HE1 MET A 93 -16.731 -5.909 11.635 1.00 0.00 H new ATOM 0 HE2 MET A 93 -16.496 -4.165 11.899 1.00 0.00 H new ATOM 0 HE3 MET A 93 -15.666 -4.981 10.553 1.00 0.00 H new ATOM 1444 N MET A 94 -9.133 -3.435 12.921 1.00 0.00 N ATOM 1445 CA MET A 94 -7.794 -3.697 13.552 1.00 0.00 C ATOM 1446 C MET A 94 -7.201 -2.377 14.061 1.00 0.00 C ATOM 1447 O MET A 94 -6.623 -2.329 15.131 1.00 0.00 O ATOM 1448 CB MET A 94 -6.896 -4.309 12.465 1.00 0.00 C ATOM 1449 CG MET A 94 -7.130 -5.820 12.400 1.00 0.00 C ATOM 1450 SD MET A 94 -5.915 -6.571 11.289 1.00 0.00 S ATOM 1451 CE MET A 94 -4.523 -6.573 12.445 1.00 0.00 C ATOM 0 H MET A 94 -9.158 -3.499 11.903 1.00 0.00 H new ATOM 0 HA MET A 94 -7.879 -4.376 14.400 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.115 -3.855 11.499 1.00 0.00 H new ATOM 0 HB3 MET A 94 -5.849 -4.102 12.684 1.00 0.00 H new ATOM 0 HG2 MET A 94 -7.046 -6.255 13.396 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.140 -6.028 12.046 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.676 -6.055 11.995 1.00 0.00 H new ATOM 0 HE2 MET A 94 -4.813 -6.064 13.364 1.00 0.00 H new ATOM 0 HE3 MET A 94 -4.241 -7.601 12.673 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.357 -1.298 13.319 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.811 0.017 13.805 1.00 0.00 C ATOM 1463 C ASN A 95 -7.679 0.535 14.961 1.00 0.00 C ATOM 1464 O ASN A 95 -7.172 1.108 15.908 1.00 0.00 O ATOM 1465 CB ASN A 95 -6.853 0.992 12.618 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.559 0.866 11.801 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.497 0.023 10.798 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -4.590 1.544 12.079 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.829 -1.270 12.415 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.790 -0.088 14.171 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.715 0.776 11.987 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.969 2.014 12.978 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.634 2.201 12.858 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.733 1.456 11.533 1.00 0.00 H new