USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 694 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 LYS NZ :NH3+ 167:sc= 0.328 (180deg=0.254) USER MOD Set 1.2: A 38 MET CE :methyl -117:sc= -1.35 (180deg=-1.96) USER MOD Single : A 11 MET CE :methyl 161:sc= -0.0623 (180deg=-0.769) USER MOD Single : A 14 SER OG : rot 23:sc= 0.45 USER MOD Single : A 19 ASN : amide:sc= -0.746 X(o=-0.75,f=-0.65) USER MOD Single : A 20 THR OG1 : rot -103:sc= 0.122 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 30:sc= -0.0915 USER MOD Single : A 40 SER OG : rot 180:sc= -0.191 USER MOD Single : A 42 CYS SG : rot -71:sc= -1.01 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00115 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 173:sc= 1.09 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.239 USER MOD Single : A 82 TYR OH : rot -128:sc= 1.6 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.4) USER MOD Single : A 98 MET CE :methyl 174:sc= -0.0182 (180deg=-0.0492) USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 7 -10.154 4.680 -0.183 1.00 0.00 N ATOM 74 CA PRO A 7 -8.759 4.326 0.028 1.00 0.00 C ATOM 75 C PRO A 7 -8.646 2.906 0.612 1.00 0.00 C ATOM 76 O PRO A 7 -8.288 2.709 1.774 1.00 0.00 O ATOM 77 CB PRO A 7 -8.230 5.435 0.952 1.00 0.00 C ATOM 78 CG PRO A 7 -9.440 5.682 1.852 1.00 0.00 C ATOM 79 CD PRO A 7 -10.602 5.578 0.872 1.00 0.00 C ATOM 0 HA PRO A 7 -8.167 4.280 -0.886 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.356 5.115 1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.941 6.328 0.398 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.512 4.941 2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.398 6.661 2.330 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.494 5.189 1.363 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.861 6.557 0.468 1.00 0.00 H new ATOM 87 N VAL A 8 -8.910 1.892 -0.202 1.00 0.00 N ATOM 88 CA VAL A 8 -8.849 0.471 0.126 1.00 0.00 C ATOM 89 C VAL A 8 -8.333 -0.268 -1.116 1.00 0.00 C ATOM 90 O VAL A 8 -8.236 0.327 -2.191 1.00 0.00 O ATOM 91 CB VAL A 8 -10.224 0.026 0.680 1.00 0.00 C ATOM 92 CG1 VAL A 8 -11.355 0.111 -0.351 1.00 0.00 C ATOM 93 CG2 VAL A 8 -10.185 -1.372 1.317 1.00 0.00 C ATOM 0 H VAL A 8 -9.190 2.049 -1.170 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.148 0.230 0.925 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.448 0.748 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.289 -0.216 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.459 1.141 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.122 -0.531 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.177 -1.631 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.874 -2.103 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.476 -1.375 2.145 1.00 0.00 H new ATOM 103 N VAL A 9 -7.916 -1.529 -0.980 1.00 0.00 N ATOM 104 CA VAL A 9 -7.419 -2.330 -2.094 1.00 0.00 C ATOM 105 C VAL A 9 -8.389 -3.475 -2.360 1.00 0.00 C ATOM 106 O VAL A 9 -9.130 -3.871 -1.465 1.00 0.00 O ATOM 107 CB VAL A 9 -5.960 -2.764 -1.820 1.00 0.00 C ATOM 108 CG1 VAL A 9 -5.798 -3.697 -0.619 1.00 0.00 C ATOM 109 CG2 VAL A 9 -5.291 -3.379 -3.063 1.00 0.00 C ATOM 0 H VAL A 9 -7.915 -2.023 -0.088 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.378 -1.749 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.447 -1.836 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.746 -3.953 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.157 -3.197 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.376 -4.606 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.268 -3.668 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.851 -4.259 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.279 -2.646 -3.870 1.00 0.00 H new ATOM 119 N GLY A 10 -8.375 -4.019 -3.578 1.00 0.00 N ATOM 120 CA GLY A 10 -9.195 -5.156 -3.952 1.00 0.00 C ATOM 121 C GLY A 10 -9.346 -5.199 -5.459 1.00 0.00 C ATOM 122 O GLY A 10 -8.709 -6.011 -6.132 1.00 0.00 O ATOM 0 H GLY A 10 -7.785 -3.674 -4.335 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.739 -6.079 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.175 -5.082 -3.480 1.00 0.00 H new ATOM 126 N MET A 11 -10.184 -4.310 -5.988 1.00 0.00 N ATOM 127 CA MET A 11 -10.651 -4.380 -7.368 1.00 0.00 C ATOM 128 C MET A 11 -10.359 -3.111 -8.167 1.00 0.00 C ATOM 129 O MET A 11 -10.696 -3.068 -9.346 1.00 0.00 O ATOM 130 CB MET A 11 -12.138 -4.772 -7.371 1.00 0.00 C ATOM 131 CG MET A 11 -12.339 -6.258 -7.024 1.00 0.00 C ATOM 132 SD MET A 11 -12.581 -7.344 -8.460 1.00 0.00 S ATOM 133 CE MET A 11 -10.869 -7.595 -8.989 1.00 0.00 C ATOM 0 H MET A 11 -10.559 -3.517 -5.467 1.00 0.00 H new ATOM 0 HA MET A 11 -10.086 -5.153 -7.890 1.00 0.00 H new ATOM 0 HB2 MET A 11 -12.678 -4.155 -6.653 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.566 -4.567 -8.352 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.472 -6.607 -6.463 1.00 0.00 H new ATOM 0 HG3 MET A 11 -13.203 -6.350 -6.366 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.810 -8.479 -9.624 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.529 -6.723 -9.548 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.234 -7.734 -8.114 1.00 0.00 H new ATOM 143 N ASP A 12 -9.677 -2.115 -7.594 1.00 0.00 N ATOM 144 CA ASP A 12 -9.154 -0.970 -8.339 1.00 0.00 C ATOM 145 C ASP A 12 -7.740 -0.671 -7.856 1.00 0.00 C ATOM 146 O ASP A 12 -7.400 -1.007 -6.715 1.00 0.00 O ATOM 147 CB ASP A 12 -10.046 0.257 -8.138 1.00 0.00 C ATOM 148 CG ASP A 12 -9.631 1.380 -9.087 1.00 0.00 C ATOM 149 OD1 ASP A 12 -8.702 2.148 -8.761 1.00 0.00 O ATOM 150 OD2 ASP A 12 -10.234 1.484 -10.175 1.00 0.00 O ATOM 0 H ASP A 12 -9.472 -2.082 -6.595 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.140 -1.209 -9.402 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.088 -0.010 -8.315 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.976 0.600 -7.106 1.00 0.00 H new ATOM 155 N LYS A 13 -6.930 -0.023 -8.700 1.00 0.00 N ATOM 156 CA LYS A 13 -5.645 0.553 -8.348 1.00 0.00 C ATOM 157 C LYS A 13 -5.473 1.910 -9.026 1.00 0.00 C ATOM 158 O LYS A 13 -4.772 2.003 -10.033 1.00 0.00 O ATOM 159 CB LYS A 13 -4.503 -0.437 -8.653 1.00 0.00 C ATOM 160 CG LYS A 13 -4.362 -1.499 -7.547 1.00 0.00 C ATOM 161 CD LYS A 13 -2.919 -1.669 -7.061 1.00 0.00 C ATOM 162 CE LYS A 13 -2.949 -1.945 -5.555 1.00 0.00 C ATOM 163 NZ LYS A 13 -1.605 -1.814 -4.968 1.00 0.00 N ATOM 0 H LYS A 13 -7.168 0.115 -9.682 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.606 0.735 -7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.692 -0.928 -9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.565 0.109 -8.755 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.994 -1.223 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.729 -2.455 -7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.435 -2.491 -7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.339 -0.770 -7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.632 -1.249 -5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.333 -2.949 -5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.680 -1.786 -3.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.022 -2.627 -5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.162 -0.936 -5.307 1.00 0.00 H new ATOM 177 N SER A 14 -6.039 2.952 -8.421 1.00 0.00 N ATOM 178 CA SER A 14 -5.718 4.358 -8.660 1.00 0.00 C ATOM 179 C SER A 14 -5.940 5.212 -7.404 1.00 0.00 C ATOM 180 O SER A 14 -5.086 6.028 -7.061 1.00 0.00 O ATOM 181 CB SER A 14 -6.566 4.882 -9.821 1.00 0.00 C ATOM 182 OG SER A 14 -6.006 4.494 -11.056 1.00 0.00 O ATOM 0 H SER A 14 -6.768 2.834 -7.718 1.00 0.00 H new ATOM 0 HA SER A 14 -4.661 4.431 -8.917 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.583 4.497 -9.739 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.631 5.969 -9.770 1.00 0.00 H new ATOM 0 HG SER A 14 -5.444 3.702 -10.926 1.00 0.00 H new ATOM 188 N LEU A 15 -7.055 5.026 -6.691 1.00 0.00 N ATOM 189 CA LEU A 15 -7.556 5.899 -5.614 1.00 0.00 C ATOM 190 C LEU A 15 -6.693 6.042 -4.336 1.00 0.00 C ATOM 191 O LEU A 15 -7.169 6.562 -3.322 1.00 0.00 O ATOM 192 CB LEU A 15 -9.022 5.554 -5.294 1.00 0.00 C ATOM 193 CG LEU A 15 -9.350 4.116 -4.860 1.00 0.00 C ATOM 194 CD1 LEU A 15 -9.621 3.180 -6.028 1.00 0.00 C ATOM 195 CD2 LEU A 15 -8.277 3.461 -3.992 1.00 0.00 C ATOM 0 H LEU A 15 -7.665 4.225 -6.854 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.480 6.902 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.358 6.225 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.618 5.779 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.256 4.250 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.845 2.182 -5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.471 3.551 -6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.741 3.135 -6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.588 2.449 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.338 3.421 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.139 4.045 -3.082 1.00 0.00 H new ATOM 207 N PHE A 16 -5.447 5.561 -4.313 1.00 0.00 N ATOM 208 CA PHE A 16 -4.652 5.511 -3.086 1.00 0.00 C ATOM 209 C PHE A 16 -3.971 6.838 -2.742 1.00 0.00 C ATOM 210 O PHE A 16 -3.555 6.999 -1.592 1.00 0.00 O ATOM 211 CB PHE A 16 -3.620 4.387 -3.125 1.00 0.00 C ATOM 212 CG PHE A 16 -4.208 3.001 -3.173 1.00 0.00 C ATOM 213 CD1 PHE A 16 -4.767 2.506 -4.365 1.00 0.00 C ATOM 214 CD2 PHE A 16 -4.184 2.206 -2.014 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.313 1.217 -4.389 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.678 0.895 -2.060 1.00 0.00 C ATOM 217 CZ PHE A 16 -5.244 0.412 -3.251 1.00 0.00 C ATOM 0 H PHE A 16 -4.966 5.199 -5.136 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.370 5.306 -2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.981 4.527 -3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.981 4.467 -2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.775 3.116 -5.256 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.787 2.604 -1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.787 0.846 -5.286 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.624 0.262 -1.187 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.631 -0.596 -3.287 1.00 0.00 H new ATOM 227 N ALA A 17 -3.928 7.807 -3.656 1.00 0.00 N ATOM 228 CA ALA A 17 -3.450 9.155 -3.388 1.00 0.00 C ATOM 229 C ALA A 17 -4.669 10.074 -3.255 1.00 0.00 C ATOM 230 O ALA A 17 -5.067 10.713 -4.228 1.00 0.00 O ATOM 231 CB ALA A 17 -2.516 9.591 -4.521 1.00 0.00 C ATOM 0 H ALA A 17 -4.231 7.670 -4.620 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.880 9.202 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.154 10.601 -4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.669 8.907 -4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.059 9.576 -5.466 1.00 0.00 H new ATOM 237 N GLY A 18 -5.339 10.081 -2.100 1.00 0.00 N ATOM 238 CA GLY A 18 -6.436 11.021 -1.886 1.00 0.00 C ATOM 239 C GLY A 18 -7.002 11.083 -0.472 1.00 0.00 C ATOM 240 O GLY A 18 -7.742 12.027 -0.191 1.00 0.00 O ATOM 0 H GLY A 18 -5.145 9.459 -1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.092 12.018 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.246 10.764 -2.568 1.00 0.00 H new ATOM 244 N ASN A 19 -6.699 10.131 0.419 1.00 0.00 N ATOM 245 CA ASN A 19 -7.155 10.163 1.806 1.00 0.00 C ATOM 246 C ASN A 19 -5.958 10.359 2.726 1.00 0.00 C ATOM 247 O ASN A 19 -5.292 9.410 3.130 1.00 0.00 O ATOM 248 CB ASN A 19 -7.963 8.904 2.122 1.00 0.00 C ATOM 249 CG ASN A 19 -8.947 9.151 3.253 1.00 0.00 C ATOM 250 OD1 ASN A 19 -9.762 10.074 3.197 1.00 0.00 O ATOM 251 ND2 ASN A 19 -8.936 8.333 4.287 1.00 0.00 N ATOM 0 H ASN A 19 -6.129 9.316 0.193 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.826 11.006 1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.502 8.582 1.231 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.287 8.094 2.395 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.604 8.462 5.047 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.259 7.571 4.327 1.00 0.00 H new ATOM 258 N THR A 20 -5.665 11.616 3.030 1.00 0.00 N ATOM 259 CA THR A 20 -4.528 12.185 3.769 1.00 0.00 C ATOM 260 C THR A 20 -4.492 11.793 5.272 1.00 0.00 C ATOM 261 O THR A 20 -4.042 12.555 6.136 1.00 0.00 O ATOM 262 CB THR A 20 -4.608 13.716 3.538 1.00 0.00 C ATOM 263 OG1 THR A 20 -5.960 14.152 3.578 1.00 0.00 O ATOM 264 CG2 THR A 20 -4.064 14.093 2.156 1.00 0.00 C ATOM 0 H THR A 20 -6.294 12.360 2.729 1.00 0.00 H new ATOM 0 HA THR A 20 -3.588 11.777 3.399 1.00 0.00 H new ATOM 0 HB THR A 20 -4.017 14.187 4.324 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.279 14.312 2.665 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.132 15.172 2.020 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.022 13.782 2.078 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.650 13.593 1.385 1.00 0.00 H new ATOM 272 N VAL A 21 -4.988 10.606 5.615 1.00 0.00 N ATOM 273 CA VAL A 21 -5.206 10.119 6.973 1.00 0.00 C ATOM 274 C VAL A 21 -4.967 8.598 7.080 1.00 0.00 C ATOM 275 O VAL A 21 -4.959 8.061 8.187 1.00 0.00 O ATOM 276 CB VAL A 21 -6.605 10.592 7.418 1.00 0.00 C ATOM 277 CG1 VAL A 21 -7.739 10.017 6.577 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.890 10.321 8.891 1.00 0.00 C ATOM 0 H VAL A 21 -5.264 9.920 4.912 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.476 10.537 7.667 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.575 11.670 7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.693 10.393 6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.609 10.317 5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.727 8.929 6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.890 10.677 9.140 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.829 9.250 9.082 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.156 10.842 9.505 1.00 0.00 H new ATOM 288 N ILE A 22 -4.760 7.892 5.960 1.00 0.00 N ATOM 289 CA ILE A 22 -4.614 6.448 5.934 1.00 0.00 C ATOM 290 C ILE A 22 -3.260 6.037 6.506 1.00 0.00 C ATOM 291 O ILE A 22 -2.288 5.886 5.779 1.00 0.00 O ATOM 292 CB ILE A 22 -4.893 5.907 4.518 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.879 4.372 4.577 1.00 0.00 C ATOM 294 CG2 ILE A 22 -3.986 6.433 3.381 1.00 0.00 C ATOM 295 CD1 ILE A 22 -5.584 3.749 3.383 1.00 0.00 C ATOM 0 H ILE A 22 -4.690 8.323 5.038 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.360 5.987 6.582 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.872 6.296 4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.848 4.020 4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.361 4.040 5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.284 5.977 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.085 7.516 3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.948 6.177 3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.550 2.663 3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.623 4.079 3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.086 4.058 2.464 1.00 0.00 H new ATOM 307 N ARG A 23 -3.194 5.820 7.817 1.00 0.00 N ATOM 308 CA ARG A 23 -1.941 5.439 8.479 1.00 0.00 C ATOM 309 C ARG A 23 -1.526 4.009 8.162 1.00 0.00 C ATOM 310 O ARG A 23 -0.373 3.656 8.413 1.00 0.00 O ATOM 311 CB ARG A 23 -1.991 5.752 9.990 1.00 0.00 C ATOM 312 CG ARG A 23 -1.862 7.275 10.213 1.00 0.00 C ATOM 313 CD ARG A 23 -1.776 7.708 11.678 1.00 0.00 C ATOM 314 NE ARG A 23 -3.023 7.439 12.412 1.00 0.00 N ATOM 315 CZ ARG A 23 -3.186 6.518 13.366 1.00 0.00 C ATOM 316 NH1 ARG A 23 -2.152 5.836 13.840 1.00 0.00 N ATOM 317 NH2 ARG A 23 -4.396 6.297 13.869 1.00 0.00 N ATOM 0 H ARG A 23 -3.993 5.901 8.446 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.145 6.058 8.065 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.928 5.391 10.415 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.185 5.230 10.506 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.973 7.629 9.692 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.718 7.768 9.753 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.952 7.184 12.162 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.550 8.773 11.727 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.835 8.007 12.171 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.215 6.011 13.476 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.293 5.136 14.568 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.196 6.830 13.527 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.525 5.595 14.597 1.00 0.00 H new ATOM 331 N GLU A 24 -2.418 3.191 7.597 1.00 0.00 N ATOM 332 CA GLU A 24 -2.217 1.752 7.476 1.00 0.00 C ATOM 333 C GLU A 24 -2.828 1.274 6.164 1.00 0.00 C ATOM 334 O GLU A 24 -3.961 1.643 5.849 1.00 0.00 O ATOM 335 CB GLU A 24 -2.911 1.024 8.642 1.00 0.00 C ATOM 336 CG GLU A 24 -2.305 1.288 10.025 1.00 0.00 C ATOM 337 CD GLU A 24 -3.061 0.500 11.095 1.00 0.00 C ATOM 338 OE1 GLU A 24 -4.222 0.864 11.391 1.00 0.00 O ATOM 339 OE2 GLU A 24 -2.507 -0.502 11.610 1.00 0.00 O ATOM 0 H GLU A 24 -3.304 3.515 7.209 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.149 1.535 7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.961 1.317 8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.883 -0.048 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.253 1.003 10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.347 2.354 10.251 1.00 0.00 H new ATOM 346 N ILE A 25 -2.127 0.394 5.445 1.00 0.00 N ATOM 347 CA ILE A 25 -2.617 -0.327 4.271 1.00 0.00 C ATOM 348 C ILE A 25 -2.151 -1.780 4.412 1.00 0.00 C ATOM 349 O ILE A 25 -0.956 -2.054 4.531 1.00 0.00 O ATOM 350 CB ILE A 25 -2.116 0.340 2.962 1.00 0.00 C ATOM 351 CG1 ILE A 25 -2.713 1.752 2.809 1.00 0.00 C ATOM 352 CG2 ILE A 25 -2.493 -0.496 1.726 1.00 0.00 C ATOM 353 CD1 ILE A 25 -2.129 2.584 1.663 1.00 0.00 C ATOM 0 H ILE A 25 -1.162 0.156 5.676 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.705 -0.298 4.213 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.030 0.404 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.789 1.660 2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.566 2.295 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.127 -0.001 0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.042 -1.485 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.577 -0.595 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.614 3.560 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.058 2.714 1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.299 2.070 0.717 1.00 0.00 H new ATOM 365 N THR A 26 -3.075 -2.728 4.457 1.00 0.00 N ATOM 366 CA THR A 26 -2.821 -4.130 4.144 1.00 0.00 C ATOM 367 C THR A 26 -2.928 -4.308 2.620 1.00 0.00 C ATOM 368 O THR A 26 -3.810 -3.706 2.007 1.00 0.00 O ATOM 369 CB THR A 26 -3.863 -4.982 4.891 1.00 0.00 C ATOM 370 OG1 THR A 26 -3.590 -4.972 6.284 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.847 -6.446 4.455 1.00 0.00 C ATOM 0 H THR A 26 -4.044 -2.542 4.717 1.00 0.00 H new ATOM 0 HA THR A 26 -1.826 -4.445 4.458 1.00 0.00 H new ATOM 0 HB THR A 26 -4.833 -4.543 4.659 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.258 -5.515 6.752 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.601 -7.000 5.014 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.065 -6.511 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.864 -6.873 4.651 1.00 0.00 H new ATOM 379 N VAL A 27 -2.105 -5.164 2.006 1.00 0.00 N ATOM 380 CA VAL A 27 -2.253 -5.577 0.611 1.00 0.00 C ATOM 381 C VAL A 27 -2.032 -7.083 0.526 1.00 0.00 C ATOM 382 O VAL A 27 -1.123 -7.626 1.161 1.00 0.00 O ATOM 383 CB VAL A 27 -1.277 -4.830 -0.324 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.708 -4.990 -1.789 1.00 0.00 C ATOM 385 CG2 VAL A 27 -1.165 -3.337 -0.017 1.00 0.00 C ATOM 0 H VAL A 27 -1.307 -5.594 2.473 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.259 -5.323 0.276 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.300 -5.283 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.009 -4.457 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.712 -6.047 -2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.709 -4.579 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.463 -2.874 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.144 -2.869 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.808 -3.201 1.004 1.00 0.00 H new ATOM 395 N GLN A 28 -2.839 -7.750 -0.290 1.00 0.00 N ATOM 396 CA GLN A 28 -2.863 -9.196 -0.430 1.00 0.00 C ATOM 397 C GLN A 28 -2.125 -9.653 -1.697 1.00 0.00 C ATOM 398 O GLN A 28 -1.744 -8.812 -2.517 1.00 0.00 O ATOM 399 CB GLN A 28 -4.320 -9.664 -0.238 1.00 0.00 C ATOM 400 CG GLN A 28 -5.341 -9.049 -1.194 1.00 0.00 C ATOM 401 CD GLN A 28 -6.739 -9.593 -0.904 1.00 0.00 C ATOM 402 OE1 GLN A 28 -7.334 -10.339 -1.680 1.00 0.00 O ATOM 403 NE2 GLN A 28 -7.316 -9.234 0.224 1.00 0.00 N ATOM 0 H GLN A 28 -3.516 -7.281 -0.891 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.288 -9.702 0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.352 -10.748 -0.348 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.624 -9.438 0.784 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.338 -7.964 -1.091 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.064 -9.272 -2.224 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.828 -8.616 0.872 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.251 -9.574 0.450 1.00 0.00 H new ATOM 412 N PRO A 29 -1.788 -10.944 -1.830 1.00 0.00 N ATOM 413 CA PRO A 29 -1.045 -11.423 -2.984 1.00 0.00 C ATOM 414 C PRO A 29 -1.909 -11.295 -4.241 1.00 0.00 C ATOM 415 O PRO A 29 -3.119 -11.514 -4.193 1.00 0.00 O ATOM 416 CB PRO A 29 -0.658 -12.867 -2.654 1.00 0.00 C ATOM 417 CG PRO A 29 -1.616 -13.290 -1.550 1.00 0.00 C ATOM 418 CD PRO A 29 -1.948 -11.995 -0.839 1.00 0.00 C ATOM 0 HA PRO A 29 -0.145 -10.843 -3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.754 -13.511 -3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.379 -12.932 -2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.510 -13.763 -1.956 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.154 -14.010 -0.874 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.966 -12.013 -0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.285 -11.835 0.011 1.00 0.00 H new ATOM 426 N ASN A 30 -1.274 -10.984 -5.376 1.00 0.00 N ATOM 427 CA ASN A 30 -1.894 -10.845 -6.693 1.00 0.00 C ATOM 428 C ASN A 30 -3.163 -9.973 -6.652 1.00 0.00 C ATOM 429 O ASN A 30 -4.281 -10.494 -6.729 1.00 0.00 O ATOM 430 CB ASN A 30 -2.149 -12.236 -7.298 1.00 0.00 C ATOM 431 CG ASN A 30 -0.879 -13.064 -7.432 1.00 0.00 C ATOM 432 OD1 ASN A 30 0.012 -12.728 -8.210 1.00 0.00 O ATOM 433 ND2 ASN A 30 -0.748 -14.146 -6.685 1.00 0.00 N ATOM 0 H ASN A 30 -0.268 -10.815 -5.400 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.202 -10.315 -7.347 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.863 -12.773 -6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.608 -12.121 -8.280 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.098 -14.712 -6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.493 -14.416 -6.043 1.00 0.00 H new ATOM 440 N ILE A 31 -3.012 -8.648 -6.519 1.00 0.00 N ATOM 441 CA ILE A 31 -4.141 -7.724 -6.319 1.00 0.00 C ATOM 442 C ILE A 31 -3.934 -6.379 -7.061 1.00 0.00 C ATOM 443 O ILE A 31 -4.374 -5.319 -6.612 1.00 0.00 O ATOM 444 CB ILE A 31 -4.485 -7.678 -4.807 1.00 0.00 C ATOM 445 CG1 ILE A 31 -5.926 -7.212 -4.504 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.476 -6.864 -4.001 1.00 0.00 C ATOM 447 CD1 ILE A 31 -6.950 -8.340 -4.691 1.00 0.00 C ATOM 0 H ILE A 31 -2.104 -8.185 -6.547 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.049 -8.085 -6.801 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.420 -8.717 -4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.979 -6.841 -3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.182 -6.379 -5.158 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.765 -6.865 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.485 -7.306 -4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.457 -5.839 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.949 -7.966 -4.467 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.918 -8.693 -5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.712 -9.163 -4.018 1.00 0.00 H new ATOM 459 N GLY A 32 -3.267 -6.418 -8.221 1.00 0.00 N ATOM 460 CA GLY A 32 -3.078 -5.294 -9.139 1.00 0.00 C ATOM 461 C GLY A 32 -1.608 -4.892 -9.236 1.00 0.00 C ATOM 462 O GLY A 32 -0.786 -5.375 -8.455 1.00 0.00 O ATOM 0 H GLY A 32 -2.826 -7.274 -8.558 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.448 -5.564 -10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.668 -4.442 -8.799 1.00 0.00 H new ATOM 466 N LEU A 33 -1.258 -4.006 -10.173 1.00 0.00 N ATOM 467 CA LEU A 33 0.113 -3.520 -10.346 1.00 0.00 C ATOM 468 C LEU A 33 0.377 -2.368 -9.379 1.00 0.00 C ATOM 469 O LEU A 33 -0.358 -1.378 -9.364 1.00 0.00 O ATOM 470 CB LEU A 33 0.326 -3.063 -11.801 1.00 0.00 C ATOM 471 CG LEU A 33 1.664 -2.350 -12.097 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.874 -3.246 -11.850 1.00 0.00 C ATOM 473 CD2 LEU A 33 1.651 -1.906 -13.560 1.00 0.00 C ATOM 0 H LEU A 33 -1.921 -3.604 -10.836 1.00 0.00 H new ATOM 0 HA LEU A 33 0.813 -4.327 -10.129 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.251 -3.936 -12.450 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.489 -2.392 -12.073 1.00 0.00 H new ATOM 0 HG LEU A 33 1.755 -1.500 -11.421 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.787 -2.694 -12.074 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.887 -3.561 -10.807 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.814 -4.124 -12.493 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.587 -1.399 -13.795 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.540 -2.778 -14.204 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.817 -1.224 -13.726 1.00 0.00 H new ATOM 485 N LEU A 34 1.456 -2.478 -8.605 1.00 0.00 N ATOM 486 CA LEU A 34 2.072 -1.360 -7.903 1.00 0.00 C ATOM 487 C LEU A 34 2.793 -0.493 -8.939 1.00 0.00 C ATOM 488 O LEU A 34 3.958 -0.750 -9.244 1.00 0.00 O ATOM 489 CB LEU A 34 3.070 -1.885 -6.855 1.00 0.00 C ATOM 490 CG LEU A 34 2.405 -2.586 -5.660 1.00 0.00 C ATOM 491 CD1 LEU A 34 3.420 -3.447 -4.907 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.759 -1.588 -4.695 1.00 0.00 C ATOM 0 H LEU A 34 1.933 -3.365 -8.447 1.00 0.00 H new ATOM 0 HA LEU A 34 1.316 -0.771 -7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.756 -2.582 -7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.669 -1.051 -6.488 1.00 0.00 H new ATOM 0 HG LEU A 34 1.617 -3.222 -6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.929 -3.935 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.825 -4.204 -5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.230 -2.817 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.301 -2.128 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.520 -0.909 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.995 -1.016 -5.221 1.00 0.00 H new ATOM 504 N TYR A 35 2.097 0.494 -9.504 1.00 0.00 N ATOM 505 CA TYR A 35 2.643 1.407 -10.503 1.00 0.00 C ATOM 506 C TYR A 35 3.668 2.377 -9.902 1.00 0.00 C ATOM 507 O TYR A 35 4.202 2.120 -8.819 1.00 0.00 O ATOM 508 CB TYR A 35 1.487 2.067 -11.268 1.00 0.00 C ATOM 509 CG TYR A 35 0.489 2.927 -10.508 1.00 0.00 C ATOM 510 CD1 TYR A 35 0.736 4.303 -10.357 1.00 0.00 C ATOM 511 CD2 TYR A 35 -0.755 2.404 -10.093 1.00 0.00 C ATOM 512 CE1 TYR A 35 -0.224 5.154 -9.791 1.00 0.00 C ATOM 513 CE2 TYR A 35 -1.739 3.259 -9.555 1.00 0.00 C ATOM 514 CZ TYR A 35 -1.470 4.634 -9.392 1.00 0.00 C ATOM 515 OH TYR A 35 -2.415 5.452 -8.867 1.00 0.00 O ATOM 0 H TYR A 35 1.121 0.683 -9.275 1.00 0.00 H new ATOM 0 HA TYR A 35 3.226 0.852 -11.238 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.924 2.686 -12.052 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.926 1.274 -11.763 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.681 4.711 -10.683 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.953 1.347 -10.188 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.008 6.204 -9.662 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.701 2.860 -9.267 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.316 6.351 -9.244 1.00 0.00 H new ATOM 525 N ASP A 36 4.008 3.454 -10.618 1.00 0.00 N ATOM 526 CA ASP A 36 4.626 4.645 -10.028 1.00 0.00 C ATOM 527 C ASP A 36 3.737 5.280 -8.945 1.00 0.00 C ATOM 528 O ASP A 36 2.921 4.577 -8.364 1.00 0.00 O ATOM 529 CB ASP A 36 5.131 5.601 -11.119 1.00 0.00 C ATOM 530 CG ASP A 36 4.158 6.689 -11.557 1.00 0.00 C ATOM 531 OD1 ASP A 36 3.072 6.341 -12.065 1.00 0.00 O ATOM 532 OD2 ASP A 36 4.525 7.887 -11.449 1.00 0.00 O ATOM 0 H ASP A 36 3.862 3.524 -11.625 1.00 0.00 H new ATOM 0 HA ASP A 36 5.521 4.348 -9.482 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.043 6.079 -10.761 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.403 5.011 -11.994 1.00 0.00 H new ATOM 537 N GLY A 37 3.902 6.564 -8.603 1.00 0.00 N ATOM 538 CA GLY A 37 3.353 7.230 -7.417 1.00 0.00 C ATOM 539 C GLY A 37 1.878 6.981 -7.088 1.00 0.00 C ATOM 540 O GLY A 37 1.033 7.862 -7.261 1.00 0.00 O ATOM 0 H GLY A 37 4.453 7.201 -9.179 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.946 6.926 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.494 8.304 -7.538 1.00 0.00 H new ATOM 544 N MET A 38 1.590 5.808 -6.525 1.00 0.00 N ATOM 545 CA MET A 38 0.297 5.399 -6.000 1.00 0.00 C ATOM 546 C MET A 38 -0.077 6.213 -4.759 1.00 0.00 C ATOM 547 O MET A 38 -1.244 6.259 -4.380 1.00 0.00 O ATOM 548 CB MET A 38 0.382 3.922 -5.584 1.00 0.00 C ATOM 549 CG MET A 38 0.115 2.935 -6.719 1.00 0.00 C ATOM 550 SD MET A 38 -0.336 1.254 -6.191 1.00 0.00 S ATOM 551 CE MET A 38 -1.963 1.613 -5.481 1.00 0.00 C ATOM 0 H MET A 38 2.296 5.080 -6.419 1.00 0.00 H new ATOM 0 HA MET A 38 -0.454 5.558 -6.773 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.373 3.728 -5.175 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.335 3.740 -4.783 1.00 0.00 H new ATOM 0 HG2 MET A 38 -0.687 3.331 -7.342 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.005 2.876 -7.345 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.953 1.386 -4.415 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.198 2.667 -5.625 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.718 1.002 -5.975 1.00 0.00 H new ATOM 561 N PHE A 39 0.918 6.793 -4.086 1.00 0.00 N ATOM 562 CA PHE A 39 0.810 7.263 -2.711 1.00 0.00 C ATOM 563 C PHE A 39 1.357 8.687 -2.582 1.00 0.00 C ATOM 564 O PHE A 39 1.546 9.153 -1.462 1.00 0.00 O ATOM 565 CB PHE A 39 1.554 6.272 -1.792 1.00 0.00 C ATOM 566 CG PHE A 39 1.190 4.808 -1.987 1.00 0.00 C ATOM 567 CD1 PHE A 39 -0.112 4.355 -1.704 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.141 3.904 -2.503 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.470 3.024 -1.987 1.00 0.00 C ATOM 570 CE2 PHE A 39 1.782 2.574 -2.776 1.00 0.00 C ATOM 571 CZ PHE A 39 0.468 2.141 -2.549 1.00 0.00 C ATOM 0 H PHE A 39 1.840 6.951 -4.494 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.237 7.303 -2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.626 6.388 -1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.356 6.544 -0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.836 5.029 -1.270 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.152 4.236 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.470 2.679 -1.771 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.519 1.884 -3.161 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.178 1.133 -2.805 1.00 0.00 H new ATOM 581 N SER A 40 1.649 9.371 -3.694 1.00 0.00 N ATOM 582 CA SER A 40 2.190 10.719 -3.628 1.00 0.00 C ATOM 583 C SER A 40 1.138 11.591 -2.951 1.00 0.00 C ATOM 584 O SER A 40 0.000 11.674 -3.423 1.00 0.00 O ATOM 585 CB SER A 40 2.602 11.235 -5.011 1.00 0.00 C ATOM 586 OG SER A 40 3.483 12.326 -4.861 1.00 0.00 O ATOM 0 H SER A 40 1.519 9.011 -4.639 1.00 0.00 H new ATOM 0 HA SER A 40 3.110 10.741 -3.044 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.084 10.440 -5.579 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.720 11.540 -5.575 1.00 0.00 H new ATOM 0 HG SER A 40 3.749 12.656 -5.745 1.00 0.00 H new ATOM 592 N GLY A 41 1.487 12.163 -1.800 1.00 0.00 N ATOM 593 CA GLY A 41 0.595 13.017 -1.024 1.00 0.00 C ATOM 594 C GLY A 41 -0.073 12.329 0.166 1.00 0.00 C ATOM 595 O GLY A 41 -0.932 12.939 0.795 1.00 0.00 O ATOM 0 H GLY A 41 2.407 12.044 -1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.161 13.874 -0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.181 13.404 -1.685 1.00 0.00 H new ATOM 599 N CYS A 42 0.288 11.090 0.514 1.00 0.00 N ATOM 600 CA CYS A 42 -0.138 10.463 1.764 1.00 0.00 C ATOM 601 C CYS A 42 0.506 11.141 2.985 1.00 0.00 C ATOM 602 O CYS A 42 1.354 10.550 3.659 1.00 0.00 O ATOM 603 CB CYS A 42 0.174 8.964 1.741 1.00 0.00 C ATOM 604 SG CYS A 42 1.945 8.628 1.491 1.00 0.00 S ATOM 0 H CYS A 42 0.883 10.496 -0.064 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.217 10.592 1.854 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.150 8.514 2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.399 8.488 0.945 1.00 0.00 H new ATOM 0 HG CYS A 42 2.273 8.916 0.266 1.00 0.00 H new ATOM 610 N THR A 43 0.058 12.339 3.348 1.00 0.00 N ATOM 611 CA THR A 43 0.573 13.121 4.471 1.00 0.00 C ATOM 612 C THR A 43 0.358 12.448 5.844 1.00 0.00 C ATOM 613 O THR A 43 0.690 13.025 6.881 1.00 0.00 O ATOM 614 CB THR A 43 -0.047 14.529 4.398 1.00 0.00 C ATOM 615 OG1 THR A 43 -1.455 14.439 4.348 1.00 0.00 O ATOM 616 CG2 THR A 43 0.399 15.308 3.155 1.00 0.00 C ATOM 0 H THR A 43 -0.699 12.810 2.853 1.00 0.00 H new ATOM 0 HA THR A 43 1.657 13.190 4.382 1.00 0.00 H new ATOM 0 HB THR A 43 0.293 15.054 5.291 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.839 15.340 4.304 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.068 16.293 3.156 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.483 15.421 3.166 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.100 14.765 2.259 1.00 0.00 H new ATOM 624 N ALA A 44 -0.217 11.239 5.882 1.00 0.00 N ATOM 625 CA ALA A 44 -0.355 10.435 7.076 1.00 0.00 C ATOM 626 C ALA A 44 -0.315 8.929 6.772 1.00 0.00 C ATOM 627 O ALA A 44 -1.123 8.219 7.354 1.00 0.00 O ATOM 628 CB ALA A 44 -1.660 10.822 7.788 1.00 0.00 C ATOM 0 H ALA A 44 -0.606 10.792 5.052 1.00 0.00 H new ATOM 0 HA ALA A 44 0.494 10.636 7.729 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.774 10.221 8.690 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.629 11.878 8.057 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.505 10.642 7.123 1.00 0.00 H new ATOM 634 N LEU A 45 0.533 8.419 5.863 1.00 0.00 N ATOM 635 CA LEU A 45 0.727 6.968 5.690 1.00 0.00 C ATOM 636 C LEU A 45 2.124 6.557 6.139 1.00 0.00 C ATOM 637 O LEU A 45 3.100 7.026 5.558 1.00 0.00 O ATOM 638 CB LEU A 45 0.503 6.615 4.221 1.00 0.00 C ATOM 639 CG LEU A 45 0.763 5.169 3.771 1.00 0.00 C ATOM 640 CD1 LEU A 45 -0.181 4.157 4.427 1.00 0.00 C ATOM 641 CD2 LEU A 45 0.570 5.149 2.246 1.00 0.00 C ATOM 0 H LEU A 45 1.097 8.991 5.235 1.00 0.00 H new ATOM 0 HA LEU A 45 0.011 6.425 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.530 6.859 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.137 7.269 3.622 1.00 0.00 H new ATOM 0 HG LEU A 45 1.769 4.874 4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.054 3.155 4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.058 4.193 5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.212 4.402 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.743 4.141 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.447 5.456 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.277 5.836 1.781 1.00 0.00 H new ATOM 653 N GLU A 46 2.224 5.656 7.124 1.00 0.00 N ATOM 654 CA GLU A 46 3.508 5.188 7.659 1.00 0.00 C ATOM 655 C GLU A 46 3.664 3.666 7.701 1.00 0.00 C ATOM 656 O GLU A 46 4.795 3.198 7.872 1.00 0.00 O ATOM 657 CB GLU A 46 3.732 5.744 9.070 1.00 0.00 C ATOM 658 CG GLU A 46 4.091 7.228 9.056 1.00 0.00 C ATOM 659 CD GLU A 46 4.664 7.670 10.401 1.00 0.00 C ATOM 660 OE1 GLU A 46 4.033 7.465 11.460 1.00 0.00 O ATOM 661 OE2 GLU A 46 5.814 8.167 10.433 1.00 0.00 O ATOM 0 H GLU A 46 1.414 5.230 7.574 1.00 0.00 H new ATOM 0 HA GLU A 46 4.258 5.562 6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.830 5.596 9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.530 5.184 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.818 7.422 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.204 7.817 8.824 1.00 0.00 H new ATOM 668 N LYS A 47 2.591 2.885 7.526 1.00 0.00 N ATOM 669 CA LYS A 47 2.656 1.425 7.563 1.00 0.00 C ATOM 670 C LYS A 47 2.248 0.806 6.234 1.00 0.00 C ATOM 671 O LYS A 47 1.568 1.419 5.403 1.00 0.00 O ATOM 672 CB LYS A 47 1.784 0.866 8.707 1.00 0.00 C ATOM 673 CG LYS A 47 2.493 0.905 10.070 1.00 0.00 C ATOM 674 CD LYS A 47 1.792 -0.012 11.089 1.00 0.00 C ATOM 675 CE LYS A 47 2.745 -0.509 12.184 1.00 0.00 C ATOM 676 NZ LYS A 47 3.310 0.569 13.020 1.00 0.00 N ATOM 0 H LYS A 47 1.654 3.251 7.355 1.00 0.00 H new ATOM 0 HA LYS A 47 3.695 1.153 7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.860 1.440 8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.506 -0.162 8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.531 0.595 9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.507 1.928 10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.964 0.527 11.549 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.364 -0.868 10.568 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.212 -1.211 12.825 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.562 -1.060 11.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.943 0.158 13.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.847 1.228 12.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.539 1.082 13.493 1.00 0.00 H new ATOM 690 N LEU A 48 2.617 -0.459 6.083 1.00 0.00 N ATOM 691 CA LEU A 48 2.139 -1.393 5.086 1.00 0.00 C ATOM 692 C LEU A 48 2.182 -2.776 5.717 1.00 0.00 C ATOM 693 O LEU A 48 3.139 -3.095 6.430 1.00 0.00 O ATOM 694 CB LEU A 48 3.059 -1.392 3.861 1.00 0.00 C ATOM 695 CG LEU A 48 2.483 -2.184 2.676 1.00 0.00 C ATOM 696 CD1 LEU A 48 1.449 -1.353 1.940 1.00 0.00 C ATOM 697 CD2 LEU A 48 3.577 -2.543 1.677 1.00 0.00 C ATOM 0 H LEU A 48 3.308 -0.885 6.701 1.00 0.00 H new ATOM 0 HA LEU A 48 1.134 -1.117 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.239 -0.363 3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.025 -1.815 4.138 1.00 0.00 H new ATOM 0 HG LEU A 48 2.033 -3.090 3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.050 -1.926 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.639 -1.093 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.914 -0.441 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.144 -3.103 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.037 -1.631 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.334 -3.153 2.170 1.00 0.00 H new ATOM 709 N ILE A 49 1.247 -3.658 5.385 1.00 0.00 N ATOM 710 CA ILE A 49 1.318 -5.076 5.712 1.00 0.00 C ATOM 711 C ILE A 49 1.076 -5.845 4.412 1.00 0.00 C ATOM 712 O ILE A 49 0.143 -5.504 3.681 1.00 0.00 O ATOM 713 CB ILE A 49 0.278 -5.409 6.799 1.00 0.00 C ATOM 714 CG1 ILE A 49 0.562 -4.700 8.146 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.303 -6.928 7.037 1.00 0.00 C ATOM 716 CD1 ILE A 49 -0.733 -4.427 8.920 1.00 0.00 C ATOM 0 H ILE A 49 0.403 -3.403 4.872 1.00 0.00 H new ATOM 0 HA ILE A 49 2.290 -5.356 6.118 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.692 -5.061 6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.226 -5.318 8.751 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.082 -3.760 7.961 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.426 -7.188 7.804 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.055 -7.446 6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.298 -7.228 7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.497 -3.929 9.860 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.385 -3.788 8.324 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.239 -5.370 9.126 1.00 0.00 H new ATOM 728 N LEU A 50 1.884 -6.873 4.124 1.00 0.00 N ATOM 729 CA LEU A 50 1.707 -7.725 2.948 1.00 0.00 C ATOM 730 C LEU A 50 1.284 -9.114 3.404 1.00 0.00 C ATOM 731 O LEU A 50 2.088 -9.792 4.046 1.00 0.00 O ATOM 732 CB LEU A 50 2.994 -7.800 2.114 1.00 0.00 C ATOM 733 CG LEU A 50 3.501 -6.477 1.531 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.573 -6.741 0.479 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.388 -5.618 0.933 1.00 0.00 C ATOM 0 H LEU A 50 2.681 -7.136 4.704 1.00 0.00 H new ATOM 0 HA LEU A 50 0.934 -7.295 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.782 -8.224 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.829 -8.496 1.291 1.00 0.00 H new ATOM 0 HG LEU A 50 3.924 -5.914 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.925 -5.793 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.408 -7.272 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.153 -7.347 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.813 -4.696 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.898 -6.166 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.658 -5.379 1.706 1.00 0.00 H new ATOM 747 N THR A 51 0.048 -9.529 3.107 1.00 0.00 N ATOM 748 CA THR A 51 -0.511 -10.780 3.627 1.00 0.00 C ATOM 749 C THR A 51 0.058 -12.034 2.947 1.00 0.00 C ATOM 750 O THR A 51 -0.204 -13.134 3.433 1.00 0.00 O ATOM 751 CB THR A 51 -2.056 -10.789 3.546 1.00 0.00 C ATOM 752 OG1 THR A 51 -2.537 -11.083 2.253 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.705 -9.469 3.953 1.00 0.00 C ATOM 0 H THR A 51 -0.589 -9.010 2.503 1.00 0.00 H new ATOM 0 HA THR A 51 -0.207 -10.818 4.673 1.00 0.00 H new ATOM 0 HB THR A 51 -2.331 -11.572 4.253 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.517 -11.077 2.259 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.788 -9.555 3.870 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.438 -9.235 4.983 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.353 -8.673 3.297 1.00 0.00 H new ATOM 761 N GLY A 52 0.736 -11.893 1.802 1.00 0.00 N ATOM 762 CA GLY A 52 1.256 -13.003 1.011 1.00 0.00 C ATOM 763 C GLY A 52 2.571 -13.508 1.587 1.00 0.00 C ATOM 764 O GLY A 52 3.041 -12.996 2.604 1.00 0.00 O ATOM 0 H GLY A 52 0.941 -10.981 1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.528 -13.814 0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.405 -12.682 -0.020 1.00 0.00 H new ATOM 768 N GLU A 53 3.199 -14.473 0.925 1.00 0.00 N ATOM 769 CA GLU A 53 4.407 -15.112 1.437 1.00 0.00 C ATOM 770 C GLU A 53 5.552 -15.132 0.419 1.00 0.00 C ATOM 771 O GLU A 53 6.607 -15.698 0.701 1.00 0.00 O ATOM 772 CB GLU A 53 4.050 -16.484 2.009 1.00 0.00 C ATOM 773 CG GLU A 53 3.943 -17.493 0.874 1.00 0.00 C ATOM 774 CD GLU A 53 2.752 -18.426 1.055 1.00 0.00 C ATOM 775 OE1 GLU A 53 2.857 -19.358 1.883 1.00 0.00 O ATOM 776 OE2 GLU A 53 1.708 -18.179 0.395 1.00 0.00 O ATOM 0 H GLU A 53 2.888 -14.833 0.023 1.00 0.00 H new ATOM 0 HA GLU A 53 4.807 -14.510 2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.810 -16.802 2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.106 -16.430 2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.849 -16.964 -0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.860 -18.080 0.822 1.00 0.00 H new ATOM 783 N ASP A 54 5.365 -14.522 -0.755 1.00 0.00 N ATOM 784 CA ASP A 54 6.366 -14.593 -1.816 1.00 0.00 C ATOM 785 C ASP A 54 6.441 -13.258 -2.561 1.00 0.00 C ATOM 786 O ASP A 54 5.395 -12.654 -2.821 1.00 0.00 O ATOM 787 CB ASP A 54 5.938 -15.698 -2.796 1.00 0.00 C ATOM 788 CG ASP A 54 7.141 -16.165 -3.600 1.00 0.00 C ATOM 789 OD1 ASP A 54 7.427 -15.507 -4.623 1.00 0.00 O ATOM 790 OD2 ASP A 54 7.803 -17.119 -3.136 1.00 0.00 O ATOM 0 H ASP A 54 4.535 -13.978 -0.991 1.00 0.00 H new ATOM 0 HA ASP A 54 7.346 -14.810 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.507 -16.536 -2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.164 -15.323 -3.466 1.00 0.00 H new ATOM 795 N PRO A 55 7.630 -12.814 -2.997 1.00 0.00 N ATOM 796 CA PRO A 55 7.801 -11.594 -3.776 1.00 0.00 C ATOM 797 C PRO A 55 7.212 -11.713 -5.178 1.00 0.00 C ATOM 798 O PRO A 55 6.793 -10.712 -5.760 1.00 0.00 O ATOM 799 CB PRO A 55 9.310 -11.374 -3.845 1.00 0.00 C ATOM 800 CG PRO A 55 9.892 -12.772 -3.663 1.00 0.00 C ATOM 801 CD PRO A 55 8.915 -13.418 -2.709 1.00 0.00 C ATOM 0 HA PRO A 55 7.276 -10.760 -3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.607 -10.938 -4.799 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.651 -10.694 -3.064 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.952 -13.312 -4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.900 -12.740 -3.250 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.882 -14.498 -2.854 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.206 -13.244 -1.673 1.00 0.00 H new ATOM 809 N SER A 56 7.146 -12.915 -5.739 1.00 0.00 N ATOM 810 CA SER A 56 6.469 -13.181 -7.002 1.00 0.00 C ATOM 811 C SER A 56 4.940 -13.201 -6.858 1.00 0.00 C ATOM 812 O SER A 56 4.245 -13.579 -7.800 1.00 0.00 O ATOM 813 CB SER A 56 7.027 -14.463 -7.627 1.00 0.00 C ATOM 814 OG SER A 56 8.397 -14.256 -7.913 1.00 0.00 O ATOM 0 H SER A 56 7.568 -13.745 -5.322 1.00 0.00 H new ATOM 0 HA SER A 56 6.675 -12.356 -7.684 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.904 -15.303 -6.944 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.482 -14.710 -8.538 1.00 0.00 H new ATOM 0 HG SER A 56 8.774 -15.067 -8.313 1.00 0.00 H new ATOM 820 N ALA A 57 4.389 -12.791 -5.709 1.00 0.00 N ATOM 821 CA ALA A 57 2.983 -12.428 -5.576 1.00 0.00 C ATOM 822 C ALA A 57 2.773 -10.900 -5.507 1.00 0.00 C ATOM 823 O ALA A 57 1.647 -10.457 -5.229 1.00 0.00 O ATOM 824 CB ALA A 57 2.402 -13.156 -4.364 1.00 0.00 C ATOM 0 H ALA A 57 4.916 -12.703 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 57 2.446 -12.745 -6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.350 -12.894 -4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.494 -14.233 -4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.947 -12.861 -3.467 1.00 0.00 H new ATOM 830 N TYR A 58 3.823 -10.091 -5.723 1.00 0.00 N ATOM 831 CA TYR A 58 3.799 -8.633 -5.622 1.00 0.00 C ATOM 832 C TYR A 58 4.598 -8.012 -6.777 1.00 0.00 C ATOM 833 O TYR A 58 5.818 -8.155 -6.871 1.00 0.00 O ATOM 834 CB TYR A 58 4.311 -8.186 -4.244 1.00 0.00 C ATOM 835 CG TYR A 58 3.348 -8.507 -3.113 1.00 0.00 C ATOM 836 CD1 TYR A 58 3.320 -9.791 -2.540 1.00 0.00 C ATOM 837 CD2 TYR A 58 2.439 -7.534 -2.663 1.00 0.00 C ATOM 838 CE1 TYR A 58 2.382 -10.105 -1.541 1.00 0.00 C ATOM 839 CE2 TYR A 58 1.472 -7.849 -1.692 1.00 0.00 C ATOM 840 CZ TYR A 58 1.459 -9.134 -1.099 1.00 0.00 C ATOM 841 OH TYR A 58 0.597 -9.433 -0.086 1.00 0.00 O ATOM 0 H TYR A 58 4.741 -10.452 -5.981 1.00 0.00 H new ATOM 0 HA TYR A 58 2.773 -8.277 -5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.268 -8.669 -4.045 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.494 -7.112 -4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.024 -10.541 -2.870 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.484 -6.534 -3.067 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.368 -11.095 -1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.740 -7.111 -1.399 1.00 0.00 H new ATOM 0 HH TYR A 58 0.105 -8.626 0.174 1.00 0.00 H new ATOM 851 N SER A 59 3.890 -7.346 -7.683 1.00 0.00 N ATOM 852 CA SER A 59 4.425 -6.591 -8.806 1.00 0.00 C ATOM 853 C SER A 59 5.003 -5.244 -8.335 1.00 0.00 C ATOM 854 O SER A 59 4.928 -4.886 -7.163 1.00 0.00 O ATOM 855 CB SER A 59 3.276 -6.375 -9.810 1.00 0.00 C ATOM 856 OG SER A 59 3.535 -7.020 -11.038 1.00 0.00 O ATOM 0 H SER A 59 2.871 -7.318 -7.650 1.00 0.00 H new ATOM 0 HA SER A 59 5.241 -7.140 -9.277 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.346 -6.755 -9.387 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.136 -5.308 -9.981 1.00 0.00 H new ATOM 0 HG SER A 59 2.787 -6.866 -11.653 1.00 0.00 H new ATOM 862 N ALA A 60 5.568 -4.487 -9.273 1.00 0.00 N ATOM 863 CA ALA A 60 6.120 -3.141 -9.168 1.00 0.00 C ATOM 864 C ALA A 60 6.312 -2.665 -10.616 1.00 0.00 C ATOM 865 O ALA A 60 6.375 -3.456 -11.565 1.00 0.00 O ATOM 866 CB ALA A 60 7.465 -3.234 -8.451 1.00 0.00 C ATOM 0 H ALA A 60 5.659 -4.841 -10.225 1.00 0.00 H new ATOM 0 HA ALA A 60 5.481 -2.454 -8.613 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.899 -2.238 -8.360 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.319 -3.658 -7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.139 -3.872 -9.023 1.00 0.00 H new ATOM 872 N GLY A 61 6.426 -1.361 -10.769 1.00 0.00 N ATOM 873 CA GLY A 61 6.723 -0.626 -11.970 1.00 0.00 C ATOM 874 C GLY A 61 8.148 -0.151 -11.810 1.00 0.00 C ATOM 875 O GLY A 61 9.090 -0.931 -11.942 1.00 0.00 O ATOM 0 H GLY A 61 6.300 -0.734 -9.975 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.616 -1.257 -12.853 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.041 0.215 -12.095 1.00 0.00 H new ATOM 879 N ASP A 62 8.301 1.117 -11.459 1.00 0.00 N ATOM 880 CA ASP A 62 9.560 1.783 -11.180 1.00 0.00 C ATOM 881 C ASP A 62 9.496 2.337 -9.762 1.00 0.00 C ATOM 882 O ASP A 62 10.298 1.917 -8.927 1.00 0.00 O ATOM 883 CB ASP A 62 9.867 2.860 -12.232 1.00 0.00 C ATOM 884 CG ASP A 62 8.636 3.576 -12.775 1.00 0.00 C ATOM 885 OD1 ASP A 62 7.979 4.310 -11.993 1.00 0.00 O ATOM 886 OD2 ASP A 62 8.299 3.358 -13.957 1.00 0.00 O ATOM 0 H ASP A 62 7.502 1.743 -11.356 1.00 0.00 H new ATOM 0 HA ASP A 62 10.388 1.077 -11.243 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.538 3.598 -11.794 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.400 2.398 -13.063 1.00 0.00 H new ATOM 891 N GLY A 63 8.520 3.185 -9.447 1.00 0.00 N ATOM 892 CA GLY A 63 8.433 3.910 -8.189 1.00 0.00 C ATOM 893 C GLY A 63 7.261 3.438 -7.341 1.00 0.00 C ATOM 894 O GLY A 63 6.274 4.155 -7.218 1.00 0.00 O ATOM 0 H GLY A 63 7.747 3.390 -10.080 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.360 3.781 -7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.329 4.976 -8.391 1.00 0.00 H new ATOM 898 N LEU A 64 7.391 2.254 -6.727 1.00 0.00 N ATOM 899 CA LEU A 64 6.381 1.571 -5.886 1.00 0.00 C ATOM 900 C LEU A 64 5.719 2.575 -4.928 1.00 0.00 C ATOM 901 O LEU A 64 4.529 2.545 -4.650 1.00 0.00 O ATOM 902 CB LEU A 64 7.072 0.441 -5.099 1.00 0.00 C ATOM 903 CG LEU A 64 6.496 0.078 -3.712 1.00 0.00 C ATOM 904 CD1 LEU A 64 5.020 -0.322 -3.774 1.00 0.00 C ATOM 905 CD2 LEU A 64 7.303 -1.056 -3.066 1.00 0.00 C ATOM 0 H LEU A 64 8.251 1.711 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 64 5.600 1.146 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.054 -0.458 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.119 0.715 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 64 6.573 0.979 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.667 -0.567 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.435 0.507 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.906 -1.191 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.879 -1.294 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.265 -1.939 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.339 -0.741 -2.944 1.00 0.00 H new ATOM 917 N ARG A 65 6.562 3.452 -4.361 1.00 0.00 N ATOM 918 CA ARG A 65 6.218 4.510 -3.427 1.00 0.00 C ATOM 919 C ARG A 65 6.924 5.781 -3.876 1.00 0.00 C ATOM 920 O ARG A 65 7.712 6.368 -3.130 1.00 0.00 O ATOM 921 CB ARG A 65 6.543 4.097 -1.980 1.00 0.00 C ATOM 922 CG ARG A 65 7.924 3.437 -1.817 1.00 0.00 C ATOM 923 CD ARG A 65 8.745 3.992 -0.667 1.00 0.00 C ATOM 924 NE ARG A 65 9.427 5.255 -0.978 1.00 0.00 N ATOM 925 CZ ARG A 65 10.343 5.801 -0.169 1.00 0.00 C ATOM 926 NH1 ARG A 65 10.642 5.191 0.965 1.00 0.00 N ATOM 927 NH2 ARG A 65 10.998 6.906 -0.490 1.00 0.00 N ATOM 0 H ARG A 65 7.562 3.431 -4.562 1.00 0.00 H new ATOM 0 HA ARG A 65 5.145 4.700 -3.429 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.494 4.979 -1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.777 3.406 -1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.787 2.366 -1.668 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.485 3.561 -2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.092 4.145 0.192 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.489 3.251 -0.374 1.00 0.00 H new ATOM 0 HE ARG A 65 9.193 5.736 -1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.177 4.318 1.212 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.338 5.594 1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.811 7.370 -1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.690 7.294 0.152 1.00 0.00 H new ATOM 941 N ASP A 66 6.681 6.180 -5.118 1.00 0.00 N ATOM 942 CA ASP A 66 7.022 7.524 -5.555 1.00 0.00 C ATOM 943 C ASP A 66 6.152 8.492 -4.740 1.00 0.00 C ATOM 944 O ASP A 66 4.946 8.262 -4.606 1.00 0.00 O ATOM 945 CB ASP A 66 6.811 7.670 -7.076 1.00 0.00 C ATOM 946 CG ASP A 66 7.871 8.517 -7.775 1.00 0.00 C ATOM 947 OD1 ASP A 66 9.044 8.506 -7.335 1.00 0.00 O ATOM 948 OD2 ASP A 66 7.535 9.157 -8.793 1.00 0.00 O ATOM 0 H ASP A 66 6.252 5.595 -5.835 1.00 0.00 H new ATOM 0 HA ASP A 66 8.075 7.748 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.799 6.678 -7.527 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.831 8.113 -7.255 1.00 0.00 H new ATOM 953 N GLY A 67 6.760 9.513 -4.134 1.00 0.00 N ATOM 954 CA GLY A 67 6.061 10.551 -3.380 1.00 0.00 C ATOM 955 C GLY A 67 5.613 10.144 -1.972 1.00 0.00 C ATOM 956 O GLY A 67 4.925 10.916 -1.304 1.00 0.00 O ATOM 0 H GLY A 67 7.772 9.643 -4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.713 11.421 -3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.184 10.862 -3.948 1.00 0.00 H new ATOM 960 N ALA A 68 5.991 8.958 -1.495 1.00 0.00 N ATOM 961 CA ALA A 68 5.730 8.470 -0.144 1.00 0.00 C ATOM 962 C ALA A 68 6.999 7.883 0.470 1.00 0.00 C ATOM 963 O ALA A 68 8.002 7.699 -0.219 1.00 0.00 O ATOM 964 CB ALA A 68 4.624 7.416 -0.202 1.00 0.00 C ATOM 0 H ALA A 68 6.507 8.286 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 68 5.409 9.300 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.422 7.045 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.718 7.861 -0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.942 6.589 -0.837 1.00 0.00 H new ATOM 970 N ASP A 69 6.956 7.572 1.765 1.00 0.00 N ATOM 971 CA ASP A 69 8.002 6.880 2.514 1.00 0.00 C ATOM 972 C ASP A 69 7.350 6.226 3.728 1.00 0.00 C ATOM 973 O ASP A 69 6.976 6.914 4.682 1.00 0.00 O ATOM 974 CB ASP A 69 9.125 7.839 2.933 1.00 0.00 C ATOM 975 CG ASP A 69 10.149 7.169 3.852 1.00 0.00 C ATOM 976 OD1 ASP A 69 10.690 6.099 3.489 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.403 7.702 4.954 1.00 0.00 O ATOM 0 H ASP A 69 6.152 7.807 2.347 1.00 0.00 H new ATOM 0 HA ASP A 69 8.468 6.122 1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.630 8.214 2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.693 8.701 3.442 1.00 0.00 H new ATOM 982 N PHE A 70 7.117 4.912 3.652 1.00 0.00 N ATOM 983 CA PHE A 70 6.493 4.148 4.731 1.00 0.00 C ATOM 984 C PHE A 70 7.154 2.781 4.901 1.00 0.00 C ATOM 985 O PHE A 70 7.896 2.316 4.031 1.00 0.00 O ATOM 986 CB PHE A 70 4.995 3.991 4.449 1.00 0.00 C ATOM 987 CG PHE A 70 4.662 3.349 3.119 1.00 0.00 C ATOM 988 CD1 PHE A 70 4.895 1.975 2.903 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.113 4.141 2.094 1.00 0.00 C ATOM 990 CE1 PHE A 70 4.538 1.409 1.671 1.00 0.00 C ATOM 991 CE2 PHE A 70 3.775 3.569 0.858 1.00 0.00 C ATOM 992 CZ PHE A 70 3.986 2.197 0.645 1.00 0.00 C ATOM 0 H PHE A 70 7.358 4.349 2.837 1.00 0.00 H new ATOM 0 HA PHE A 70 6.629 4.694 5.664 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.550 3.394 5.246 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.527 4.975 4.489 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.342 1.367 3.676 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.951 5.196 2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.689 0.352 1.507 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.354 4.181 0.074 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.726 1.749 -0.303 1.00 0.00 H new ATOM 1002 N LEU A 71 6.817 2.102 5.991 1.00 0.00 N ATOM 1003 CA LEU A 71 7.400 0.834 6.397 1.00 0.00 C ATOM 1004 C LEU A 71 6.653 -0.336 5.747 1.00 0.00 C ATOM 1005 O LEU A 71 5.443 -0.271 5.564 1.00 0.00 O ATOM 1006 CB LEU A 71 7.302 0.803 7.931 1.00 0.00 C ATOM 1007 CG LEU A 71 8.172 -0.204 8.689 1.00 0.00 C ATOM 1008 CD1 LEU A 71 7.671 -1.639 8.508 1.00 0.00 C ATOM 1009 CD2 LEU A 71 9.655 -0.026 8.332 1.00 0.00 C ATOM 0 H LEU A 71 6.103 2.434 6.639 1.00 0.00 H new ATOM 0 HA LEU A 71 8.437 0.737 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.546 1.799 8.301 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.262 0.610 8.195 1.00 0.00 H new ATOM 0 HG LEU A 71 8.083 0.003 9.756 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.315 -2.322 9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.651 -1.718 8.883 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.689 -1.900 7.450 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.252 -0.753 8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.793 -0.180 7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.975 0.982 8.597 1.00 0.00 H new ATOM 1021 N ILE A 72 7.368 -1.410 5.425 1.00 0.00 N ATOM 1022 CA ILE A 72 6.909 -2.656 4.799 1.00 0.00 C ATOM 1023 C ILE A 72 7.014 -3.822 5.808 1.00 0.00 C ATOM 1024 O ILE A 72 8.082 -4.410 5.969 1.00 0.00 O ATOM 1025 CB ILE A 72 7.654 -2.916 3.463 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.662 -1.682 2.523 1.00 0.00 C ATOM 1027 CG2 ILE A 72 7.035 -4.113 2.719 1.00 0.00 C ATOM 1028 CD1 ILE A 72 8.642 -1.859 1.367 1.00 0.00 C ATOM 0 H ILE A 72 8.371 -1.438 5.609 1.00 0.00 H new ATOM 0 HA ILE A 72 5.856 -2.566 4.532 1.00 0.00 H new ATOM 0 HB ILE A 72 8.687 -3.134 3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.659 -1.519 2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.929 -0.792 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.572 -4.278 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.107 -5.005 3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.987 -3.905 2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.618 -0.974 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.649 -1.996 1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.360 -2.734 0.781 1.00 0.00 H new ATOM 1040 N CYS A 73 5.921 -4.173 6.501 1.00 0.00 N ATOM 1041 CA CYS A 73 5.860 -5.404 7.301 1.00 0.00 C ATOM 1042 C CYS A 73 5.496 -6.632 6.446 1.00 0.00 C ATOM 1043 O CYS A 73 4.532 -6.575 5.675 1.00 0.00 O ATOM 1044 CB CYS A 73 4.842 -5.280 8.445 1.00 0.00 C ATOM 1045 SG CYS A 73 5.445 -4.128 9.710 1.00 0.00 S ATOM 0 H CYS A 73 5.065 -3.619 6.523 1.00 0.00 H new ATOM 0 HA CYS A 73 6.859 -5.545 7.714 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.886 -4.931 8.053 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.666 -6.259 8.891 1.00 0.00 H new ATOM 0 HG CYS A 73 4.569 -4.036 10.666 1.00 0.00 H new ATOM 1051 N VAL A 74 6.199 -7.751 6.614 1.00 0.00 N ATOM 1052 CA VAL A 74 6.026 -9.004 5.863 1.00 0.00 C ATOM 1053 C VAL A 74 6.088 -10.197 6.835 1.00 0.00 C ATOM 1054 O VAL A 74 6.637 -10.033 7.922 1.00 0.00 O ATOM 1055 CB VAL A 74 7.123 -9.100 4.782 1.00 0.00 C ATOM 1056 CG1 VAL A 74 6.943 -8.046 3.681 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.536 -8.940 5.364 1.00 0.00 C ATOM 0 H VAL A 74 6.942 -7.817 7.310 1.00 0.00 H new ATOM 0 HA VAL A 74 5.054 -9.021 5.370 1.00 0.00 H new ATOM 0 HB VAL A 74 7.016 -10.099 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.738 -8.152 2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.977 -8.187 3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.987 -7.050 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.270 -9.016 4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.623 -7.966 5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.718 -9.725 6.098 1.00 0.00 H new ATOM 1067 N PRO A 75 5.544 -11.389 6.532 1.00 0.00 N ATOM 1068 CA PRO A 75 5.571 -12.484 7.491 1.00 0.00 C ATOM 1069 C PRO A 75 6.990 -13.022 7.674 1.00 0.00 C ATOM 1070 O PRO A 75 7.780 -13.054 6.728 1.00 0.00 O ATOM 1071 CB PRO A 75 4.627 -13.551 6.947 1.00 0.00 C ATOM 1072 CG PRO A 75 4.538 -13.273 5.451 1.00 0.00 C ATOM 1073 CD PRO A 75 4.870 -11.785 5.307 1.00 0.00 C ATOM 0 HA PRO A 75 5.250 -12.154 8.479 1.00 0.00 H new ATOM 0 HB2 PRO A 75 5.010 -14.553 7.140 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.647 -13.488 7.419 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.241 -13.891 4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.543 -13.495 5.066 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.508 -11.613 4.441 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.964 -11.199 5.157 1.00 0.00 H new ATOM 1081 N GLU A 76 7.283 -13.512 8.881 1.00 0.00 N ATOM 1082 CA GLU A 76 8.581 -14.083 9.238 1.00 0.00 C ATOM 1083 C GLU A 76 8.994 -15.214 8.285 1.00 0.00 C ATOM 1084 O GLU A 76 10.173 -15.344 7.956 1.00 0.00 O ATOM 1085 CB GLU A 76 8.583 -14.555 10.704 1.00 0.00 C ATOM 1086 CG GLU A 76 7.523 -15.621 11.017 1.00 0.00 C ATOM 1087 CD GLU A 76 7.647 -16.140 12.448 1.00 0.00 C ATOM 1088 OE1 GLU A 76 7.137 -15.470 13.380 1.00 0.00 O ATOM 1089 OE2 GLU A 76 8.259 -17.221 12.619 1.00 0.00 O ATOM 0 H GLU A 76 6.613 -13.523 9.650 1.00 0.00 H new ATOM 0 HA GLU A 76 9.327 -13.295 9.133 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.568 -14.955 10.945 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.421 -13.694 11.353 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.529 -15.200 10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.625 -16.452 10.319 1.00 0.00 H new ATOM 1096 N GLU A 77 8.023 -16.011 7.823 1.00 0.00 N ATOM 1097 CA GLU A 77 8.194 -17.144 6.944 1.00 0.00 C ATOM 1098 C GLU A 77 8.643 -16.715 5.539 1.00 0.00 C ATOM 1099 O GLU A 77 9.251 -17.507 4.820 1.00 0.00 O ATOM 1100 CB GLU A 77 6.847 -17.892 6.949 1.00 0.00 C ATOM 1101 CG GLU A 77 7.006 -19.304 6.386 1.00 0.00 C ATOM 1102 CD GLU A 77 5.822 -20.250 6.646 1.00 0.00 C ATOM 1103 OE1 GLU A 77 4.717 -19.789 7.018 1.00 0.00 O ATOM 1104 OE2 GLU A 77 6.027 -21.480 6.480 1.00 0.00 O ATOM 0 H GLU A 77 7.046 -15.863 8.075 1.00 0.00 H new ATOM 0 HA GLU A 77 8.991 -17.802 7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.459 -17.943 7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.117 -17.340 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.164 -19.233 5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.906 -19.748 6.812 1.00 0.00 H new ATOM 1111 N ALA A 78 8.420 -15.454 5.152 1.00 0.00 N ATOM 1112 CA ALA A 78 8.750 -14.907 3.837 1.00 0.00 C ATOM 1113 C ALA A 78 9.871 -13.863 3.903 1.00 0.00 C ATOM 1114 O ALA A 78 10.221 -13.280 2.874 1.00 0.00 O ATOM 1115 CB ALA A 78 7.490 -14.282 3.247 1.00 0.00 C ATOM 0 H ALA A 78 7.990 -14.765 5.769 1.00 0.00 H new ATOM 0 HA ALA A 78 9.113 -15.719 3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.715 -13.867 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.717 -15.044 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.136 -13.487 3.904 1.00 0.00 H new ATOM 1121 N LEU A 79 10.411 -13.559 5.086 1.00 0.00 N ATOM 1122 CA LEU A 79 11.337 -12.441 5.263 1.00 0.00 C ATOM 1123 C LEU A 79 12.617 -12.625 4.441 1.00 0.00 C ATOM 1124 O LEU A 79 13.219 -11.659 3.971 1.00 0.00 O ATOM 1125 CB LEU A 79 11.662 -12.305 6.753 1.00 0.00 C ATOM 1126 CG LEU A 79 12.393 -10.994 7.106 1.00 0.00 C ATOM 1127 CD1 LEU A 79 11.507 -9.755 6.951 1.00 0.00 C ATOM 1128 CD2 LEU A 79 12.853 -11.077 8.563 1.00 0.00 C ATOM 0 H LEU A 79 10.219 -14.078 5.943 1.00 0.00 H new ATOM 0 HA LEU A 79 10.862 -11.529 4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.736 -12.361 7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.278 -13.150 7.061 1.00 0.00 H new ATOM 0 HG LEU A 79 13.229 -10.888 6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.078 -8.864 7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.168 -9.677 5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.644 -9.840 7.611 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.373 -10.158 8.833 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.986 -11.208 9.211 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.527 -11.925 8.684 1.00 0.00 H new ATOM 1140 N ASP A 80 13.075 -13.866 4.295 1.00 0.00 N ATOM 1141 CA ASP A 80 14.278 -14.216 3.533 1.00 0.00 C ATOM 1142 C ASP A 80 13.937 -14.330 2.050 1.00 0.00 C ATOM 1143 O ASP A 80 14.750 -13.943 1.207 1.00 0.00 O ATOM 1144 CB ASP A 80 14.863 -15.533 4.068 1.00 0.00 C ATOM 1145 CG ASP A 80 16.354 -15.740 3.779 1.00 0.00 C ATOM 1146 OD1 ASP A 80 17.149 -14.769 3.795 1.00 0.00 O ATOM 1147 OD2 ASP A 80 16.788 -16.905 3.657 1.00 0.00 O ATOM 0 H ASP A 80 12.613 -14.675 4.710 1.00 0.00 H new ATOM 0 HA ASP A 80 15.027 -13.433 3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 80 14.708 -15.571 5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.305 -16.364 3.636 1.00 0.00 H new ATOM 1152 N ARG A 81 12.713 -14.781 1.735 1.00 0.00 N ATOM 1153 CA ARG A 81 12.131 -14.891 0.408 1.00 0.00 C ATOM 1154 C ARG A 81 12.271 -13.587 -0.367 1.00 0.00 C ATOM 1155 O ARG A 81 12.952 -13.551 -1.391 1.00 0.00 O ATOM 1156 CB ARG A 81 10.668 -15.303 0.565 1.00 0.00 C ATOM 1157 CG ARG A 81 10.107 -15.922 -0.703 1.00 0.00 C ATOM 1158 CD ARG A 81 10.497 -17.382 -0.873 1.00 0.00 C ATOM 1159 NE ARG A 81 9.332 -18.243 -1.092 1.00 0.00 N ATOM 1160 CZ ARG A 81 9.064 -19.321 -0.352 1.00 0.00 C ATOM 1161 NH1 ARG A 81 10.046 -19.940 0.303 1.00 0.00 N ATOM 1162 NH2 ARG A 81 7.819 -19.758 -0.265 1.00 0.00 N ATOM 0 H ARG A 81 12.067 -15.098 2.458 1.00 0.00 H new ATOM 0 HA ARG A 81 12.662 -15.647 -0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.579 -16.015 1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.074 -14.430 0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.020 -15.841 -0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.459 -15.355 -1.565 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.181 -17.478 -1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.034 -17.719 0.014 1.00 0.00 H new ATOM 0 HE ARG A 81 8.692 -18.006 -1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.002 -19.590 0.239 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.842 -20.764 0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.072 -19.272 -0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.606 -20.581 0.298 1.00 0.00 H new ATOM 1176 N TYR A 82 11.641 -12.519 0.124 1.00 0.00 N ATOM 1177 CA TYR A 82 11.638 -11.225 -0.547 1.00 0.00 C ATOM 1178 C TYR A 82 13.049 -10.648 -0.593 1.00 0.00 C ATOM 1179 O TYR A 82 13.418 -10.029 -1.595 1.00 0.00 O ATOM 1180 CB TYR A 82 10.699 -10.250 0.170 1.00 0.00 C ATOM 1181 CG TYR A 82 9.212 -10.406 -0.114 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.499 -11.524 0.365 1.00 0.00 C ATOM 1183 CD2 TYR A 82 8.514 -9.363 -0.754 1.00 0.00 C ATOM 1184 CE1 TYR A 82 7.094 -11.522 0.364 1.00 0.00 C ATOM 1185 CE2 TYR A 82 7.108 -9.376 -0.804 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.397 -10.426 -0.185 1.00 0.00 C ATOM 1187 OH TYR A 82 5.050 -10.349 -0.068 1.00 0.00 O ATOM 0 H TYR A 82 11.118 -12.530 1.000 1.00 0.00 H new ATOM 0 HA TYR A 82 11.281 -11.369 -1.567 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.854 -10.355 1.244 1.00 0.00 H new ATOM 0 HB3 TYR A 82 10.993 -9.235 -0.097 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.035 -12.386 0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.061 -8.550 -1.208 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.550 -12.356 0.782 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.576 -8.586 -1.314 1.00 0.00 H new ATOM 0 HH TYR A 82 4.653 -10.198 -0.951 1.00 0.00 H new ATOM 1197 N ARG A 83 13.856 -10.838 0.459 1.00 0.00 N ATOM 1198 CA ARG A 83 15.249 -10.400 0.427 1.00 0.00 C ATOM 1199 C ARG A 83 16.076 -11.147 -0.636 1.00 0.00 C ATOM 1200 O ARG A 83 17.051 -10.585 -1.122 1.00 0.00 O ATOM 1201 CB ARG A 83 15.858 -10.513 1.832 1.00 0.00 C ATOM 1202 CG ARG A 83 15.559 -9.312 2.748 1.00 0.00 C ATOM 1203 CD ARG A 83 16.676 -9.134 3.790 1.00 0.00 C ATOM 1204 NE ARG A 83 17.907 -8.645 3.146 1.00 0.00 N ATOM 1205 CZ ARG A 83 19.162 -8.803 3.571 1.00 0.00 C ATOM 1206 NH1 ARG A 83 19.430 -9.210 4.802 1.00 0.00 N ATOM 1207 NH2 ARG A 83 20.149 -8.527 2.732 1.00 0.00 N ATOM 0 H ARG A 83 13.570 -11.286 1.329 1.00 0.00 H new ATOM 0 HA ARG A 83 15.274 -9.353 0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.483 -11.420 2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.938 -10.625 1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.465 -8.406 2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.604 -9.461 3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.356 -8.430 4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.871 -10.083 4.289 1.00 0.00 H new ATOM 0 HE ARG A 83 17.786 -8.126 2.276 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.668 -9.411 5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 83 20.398 -9.323 5.102 1.00 0.00 H new ATOM 0 HH21 ARG A 83 19.940 -8.203 1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 83 21.118 -8.639 3.030 1.00 0.00 H new ATOM 1221 N ARG A 84 15.695 -12.365 -1.044 1.00 0.00 N ATOM 1222 CA ARG A 84 16.335 -13.118 -2.130 1.00 0.00 C ATOM 1223 C ARG A 84 15.783 -12.761 -3.515 1.00 0.00 C ATOM 1224 O ARG A 84 16.283 -13.294 -4.510 1.00 0.00 O ATOM 1225 CB ARG A 84 16.197 -14.634 -1.851 1.00 0.00 C ATOM 1226 CG ARG A 84 17.237 -15.095 -0.828 1.00 0.00 C ATOM 1227 CD ARG A 84 17.138 -16.577 -0.459 1.00 0.00 C ATOM 1228 NE ARG A 84 18.169 -16.913 0.531 1.00 0.00 N ATOM 1229 CZ ARG A 84 18.304 -18.048 1.222 1.00 0.00 C ATOM 1230 NH1 ARG A 84 17.455 -19.059 1.080 1.00 0.00 N ATOM 1231 NH2 ARG A 84 19.319 -18.171 2.062 1.00 0.00 N ATOM 0 H ARG A 84 14.915 -12.865 -0.618 1.00 0.00 H new ATOM 0 HA ARG A 84 17.389 -12.840 -2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.195 -14.850 -1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.321 -15.192 -2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.233 -14.896 -1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.129 -14.498 0.078 1.00 0.00 H new ATOM 0 HD2 ARG A 84 16.149 -16.796 -0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 84 17.262 -17.192 -1.350 1.00 0.00 H new ATOM 0 HE ARG A 84 18.867 -16.192 0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.674 -18.981 0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.584 -19.913 1.622 1.00 0.00 H new ATOM 0 HH21 ARG A 84 19.984 -17.406 2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 84 19.437 -19.031 2.597 1.00 0.00 H new ATOM 1245 N ASP A 85 14.758 -11.916 -3.629 1.00 0.00 N ATOM 1246 CA ASP A 85 14.166 -11.593 -4.930 1.00 0.00 C ATOM 1247 C ASP A 85 15.122 -10.749 -5.768 1.00 0.00 C ATOM 1248 O ASP A 85 15.892 -9.954 -5.225 1.00 0.00 O ATOM 1249 CB ASP A 85 12.881 -10.791 -4.731 1.00 0.00 C ATOM 1250 CG ASP A 85 12.079 -10.750 -6.027 1.00 0.00 C ATOM 1251 OD1 ASP A 85 11.622 -11.806 -6.492 1.00 0.00 O ATOM 1252 OD2 ASP A 85 11.962 -9.663 -6.641 1.00 0.00 O ATOM 0 H ASP A 85 14.320 -11.443 -2.838 1.00 0.00 H new ATOM 0 HA ASP A 85 13.959 -12.532 -5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.282 -11.240 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.122 -9.777 -4.412 1.00 0.00 H new ATOM 1257 N TYR A 86 15.064 -10.865 -7.092 1.00 0.00 N ATOM 1258 CA TYR A 86 15.857 -10.023 -7.978 1.00 0.00 C ATOM 1259 C TYR A 86 15.430 -8.560 -7.842 1.00 0.00 C ATOM 1260 O TYR A 86 16.284 -7.682 -7.739 1.00 0.00 O ATOM 1261 CB TYR A 86 15.701 -10.525 -9.415 1.00 0.00 C ATOM 1262 CG TYR A 86 16.774 -10.035 -10.372 1.00 0.00 C ATOM 1263 CD1 TYR A 86 18.014 -10.701 -10.449 1.00 0.00 C ATOM 1264 CD2 TYR A 86 16.528 -8.931 -11.207 1.00 0.00 C ATOM 1265 CE1 TYR A 86 19.000 -10.280 -11.360 1.00 0.00 C ATOM 1266 CE2 TYR A 86 17.514 -8.496 -12.107 1.00 0.00 C ATOM 1267 CZ TYR A 86 18.753 -9.164 -12.190 1.00 0.00 C ATOM 1268 OH TYR A 86 19.711 -8.708 -13.046 1.00 0.00 O ATOM 0 H TYR A 86 14.471 -11.539 -7.576 1.00 0.00 H new ATOM 0 HA TYR A 86 16.910 -10.080 -7.702 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.708 -11.615 -9.409 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.726 -10.214 -9.791 1.00 0.00 H new ATOM 0 HD1 TYR A 86 18.209 -11.543 -9.802 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.580 -8.417 -11.156 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.940 -10.807 -11.424 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.322 -7.643 -12.741 1.00 0.00 H new ATOM 0 HH TYR A 86 19.367 -7.934 -13.539 1.00 0.00 H new ATOM 1278 N PHE A 87 14.121 -8.293 -7.816 1.00 0.00 N ATOM 1279 CA PHE A 87 13.564 -6.951 -7.732 1.00 0.00 C ATOM 1280 C PHE A 87 13.538 -6.505 -6.266 1.00 0.00 C ATOM 1281 O PHE A 87 14.275 -5.590 -5.897 1.00 0.00 O ATOM 1282 CB PHE A 87 12.178 -6.922 -8.412 1.00 0.00 C ATOM 1283 CG PHE A 87 11.744 -5.538 -8.853 1.00 0.00 C ATOM 1284 CD1 PHE A 87 11.273 -4.609 -7.906 1.00 0.00 C ATOM 1285 CD2 PHE A 87 11.821 -5.171 -10.213 1.00 0.00 C ATOM 1286 CE1 PHE A 87 10.953 -3.303 -8.313 1.00 0.00 C ATOM 1287 CE2 PHE A 87 11.452 -3.877 -10.618 1.00 0.00 C ATOM 1288 CZ PHE A 87 11.036 -2.935 -9.665 1.00 0.00 C ATOM 0 H PHE A 87 13.409 -9.023 -7.854 1.00 0.00 H new ATOM 0 HA PHE A 87 14.186 -6.235 -8.268 1.00 0.00 H new ATOM 0 HB2 PHE A 87 12.195 -7.581 -9.280 1.00 0.00 H new ATOM 0 HB3 PHE A 87 11.436 -7.323 -7.722 1.00 0.00 H new ATOM 0 HD1 PHE A 87 11.158 -4.899 -6.872 1.00 0.00 H new ATOM 0 HD2 PHE A 87 12.165 -5.887 -10.945 1.00 0.00 H new ATOM 0 HE1 PHE A 87 10.640 -2.575 -7.579 1.00 0.00 H new ATOM 0 HE2 PHE A 87 11.489 -3.607 -11.663 1.00 0.00 H new ATOM 0 HZ PHE A 87 10.781 -1.931 -9.970 1.00 0.00 H new ATOM 1298 N TRP A 88 12.740 -7.166 -5.411 1.00 0.00 N ATOM 1299 CA TRP A 88 12.355 -6.677 -4.080 1.00 0.00 C ATOM 1300 C TRP A 88 13.517 -6.380 -3.125 1.00 0.00 C ATOM 1301 O TRP A 88 13.314 -5.684 -2.128 1.00 0.00 O ATOM 1302 CB TRP A 88 11.313 -7.602 -3.423 1.00 0.00 C ATOM 1303 CG TRP A 88 9.911 -7.398 -3.904 1.00 0.00 C ATOM 1304 CD1 TRP A 88 9.328 -7.988 -4.973 1.00 0.00 C ATOM 1305 CD2 TRP A 88 8.931 -6.448 -3.393 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.061 -7.466 -5.148 1.00 0.00 N ATOM 1307 CE2 TRP A 88 7.801 -6.455 -4.257 1.00 0.00 C ATOM 1308 CE3 TRP A 88 8.926 -5.505 -2.344 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 6.756 -5.535 -4.131 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 7.871 -4.587 -2.190 1.00 0.00 C ATOM 1311 CH2 TRP A 88 6.798 -4.588 -3.098 1.00 0.00 C ATOM 0 H TRP A 88 12.336 -8.076 -5.633 1.00 0.00 H new ATOM 0 HA TRP A 88 11.903 -5.703 -4.269 1.00 0.00 H new ATOM 0 HB2 TRP A 88 11.599 -8.638 -3.605 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.339 -7.449 -2.344 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.782 -8.748 -5.592 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.400 -7.792 -5.853 1.00 0.00 H new ATOM 0 HE3 TRP A 88 9.749 -5.487 -1.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.926 -5.554 -4.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 7.886 -3.881 -1.373 1.00 0.00 H new ATOM 0 HH2 TRP A 88 6.006 -3.860 -3.000 1.00 0.00 H new ATOM 1322 N GLN A 89 14.733 -6.857 -3.399 1.00 0.00 N ATOM 1323 CA GLN A 89 15.952 -6.392 -2.753 1.00 0.00 C ATOM 1324 C GLN A 89 16.028 -4.869 -2.655 1.00 0.00 C ATOM 1325 O GLN A 89 16.418 -4.334 -1.624 1.00 0.00 O ATOM 1326 CB GLN A 89 17.152 -6.891 -3.564 1.00 0.00 C ATOM 1327 CG GLN A 89 17.576 -8.257 -3.045 1.00 0.00 C ATOM 1328 CD GLN A 89 18.814 -8.755 -3.771 1.00 0.00 C ATOM 1329 OE1 GLN A 89 19.937 -8.451 -3.376 1.00 0.00 O ATOM 1330 NE2 GLN A 89 18.645 -9.466 -4.873 1.00 0.00 N ATOM 0 H GLN A 89 14.896 -7.590 -4.089 1.00 0.00 H new ATOM 0 HA GLN A 89 15.957 -6.785 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.890 -6.956 -4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 89 17.979 -6.186 -3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.777 -8.197 -1.975 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.761 -8.969 -3.177 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.704 -9.708 -5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.455 -9.772 -5.412 1.00 0.00 H new ATOM 1339 N THR A 90 15.677 -4.163 -3.726 1.00 0.00 N ATOM 1340 CA THR A 90 15.826 -2.713 -3.814 1.00 0.00 C ATOM 1341 C THR A 90 14.967 -1.945 -2.784 1.00 0.00 C ATOM 1342 O THR A 90 15.240 -0.773 -2.525 1.00 0.00 O ATOM 1343 CB THR A 90 15.601 -2.311 -5.283 1.00 0.00 C ATOM 1344 OG1 THR A 90 16.030 -0.995 -5.562 1.00 0.00 O ATOM 1345 CG2 THR A 90 14.142 -2.443 -5.727 1.00 0.00 C ATOM 0 H THR A 90 15.278 -4.585 -4.565 1.00 0.00 H new ATOM 0 HA THR A 90 16.836 -2.418 -3.528 1.00 0.00 H new ATOM 0 HB THR A 90 16.209 -3.018 -5.847 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.866 -0.791 -6.506 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.051 -2.145 -6.771 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.820 -3.479 -5.616 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.514 -1.800 -5.110 1.00 0.00 H new ATOM 1353 N TYR A 91 13.978 -2.572 -2.129 1.00 0.00 N ATOM 1354 CA TYR A 91 13.200 -1.957 -1.046 1.00 0.00 C ATOM 1355 C TYR A 91 13.459 -2.647 0.300 1.00 0.00 C ATOM 1356 O TYR A 91 12.763 -2.394 1.283 1.00 0.00 O ATOM 1357 CB TYR A 91 11.715 -1.853 -1.432 1.00 0.00 C ATOM 1358 CG TYR A 91 11.432 -0.760 -2.454 1.00 0.00 C ATOM 1359 CD1 TYR A 91 11.483 -1.051 -3.827 1.00 0.00 C ATOM 1360 CD2 TYR A 91 11.142 0.557 -2.042 1.00 0.00 C ATOM 1361 CE1 TYR A 91 11.201 -0.060 -4.782 1.00 0.00 C ATOM 1362 CE2 TYR A 91 10.868 1.558 -2.993 1.00 0.00 C ATOM 1363 CZ TYR A 91 10.863 1.245 -4.371 1.00 0.00 C ATOM 1364 OH TYR A 91 10.518 2.162 -5.310 1.00 0.00 O ATOM 0 H TYR A 91 13.694 -3.529 -2.339 1.00 0.00 H new ATOM 0 HA TYR A 91 13.542 -0.932 -0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 91 11.383 -2.811 -1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.126 -1.663 -0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.742 -2.048 -4.152 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.130 0.799 -0.990 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.243 -0.299 -5.834 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.661 2.567 -2.669 1.00 0.00 H new ATOM 0 HH TYR A 91 10.311 3.015 -4.874 1.00 0.00 H new ATOM 1374 N ALA A 92 14.517 -3.456 0.412 1.00 0.00 N ATOM 1375 CA ALA A 92 14.941 -4.099 1.654 1.00 0.00 C ATOM 1376 C ALA A 92 15.471 -3.092 2.683 1.00 0.00 C ATOM 1377 O ALA A 92 15.900 -3.504 3.762 1.00 0.00 O ATOM 1378 CB ALA A 92 15.978 -5.184 1.352 1.00 0.00 C ATOM 0 H ALA A 92 15.116 -3.686 -0.381 1.00 0.00 H new ATOM 0 HA ALA A 92 14.064 -4.563 2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.289 -5.659 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 92 15.540 -5.932 0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 92 16.844 -4.734 0.867 1.00 0.00 H new ATOM 1384 N ALA A 93 15.424 -1.787 2.392 1.00 0.00 N ATOM 1385 CA ALA A 93 15.625 -0.747 3.383 1.00 0.00 C ATOM 1386 C ALA A 93 14.402 -0.533 4.290 1.00 0.00 C ATOM 1387 O ALA A 93 14.534 0.177 5.282 1.00 0.00 O ATOM 1388 CB ALA A 93 16.015 0.571 2.706 1.00 0.00 C ATOM 0 H ALA A 93 15.244 -1.430 1.454 1.00 0.00 H new ATOM 0 HA ALA A 93 16.439 -1.085 4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.162 1.340 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 93 16.940 0.433 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.221 0.879 2.026 1.00 0.00 H new ATOM 1394 N TRP A 94 13.227 -1.094 3.969 1.00 0.00 N ATOM 1395 CA TRP A 94 11.994 -0.902 4.747 1.00 0.00 C ATOM 1396 C TRP A 94 11.288 -2.226 5.081 1.00 0.00 C ATOM 1397 O TRP A 94 10.214 -2.205 5.679 1.00 0.00 O ATOM 1398 CB TRP A 94 11.043 0.039 3.989 1.00 0.00 C ATOM 1399 CG TRP A 94 11.582 1.390 3.623 1.00 0.00 C ATOM 1400 CD1 TRP A 94 11.385 2.525 4.335 1.00 0.00 C ATOM 1401 CD2 TRP A 94 12.340 1.787 2.437 1.00 0.00 C ATOM 1402 NE1 TRP A 94 11.962 3.591 3.670 1.00 0.00 N ATOM 1403 CE2 TRP A 94 12.634 3.179 2.537 1.00 0.00 C ATOM 1404 CE3 TRP A 94 12.783 1.124 1.271 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 13.398 3.854 1.574 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 13.539 1.797 0.290 1.00 0.00 C ATOM 1407 CH2 TRP A 94 13.866 3.153 0.451 1.00 0.00 C ATOM 0 H TRP A 94 13.105 -1.698 3.156 1.00 0.00 H new ATOM 0 HA TRP A 94 12.277 -0.453 5.699 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.728 -0.461 3.073 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.150 0.182 4.597 1.00 0.00 H new ATOM 0 HD1 TRP A 94 10.859 2.588 5.276 1.00 0.00 H new ATOM 0 HE1 TRP A 94 11.899 4.561 3.978 1.00 0.00 H new ATOM 0 HE3 TRP A 94 12.538 0.082 1.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 13.624 4.903 1.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 13.869 1.266 -0.591 1.00 0.00 H new ATOM 0 HH2 TRP A 94 14.475 3.655 -0.286 1.00 0.00 H new ATOM 1418 N ILE A 95 11.836 -3.373 4.668 1.00 0.00 N ATOM 1419 CA ILE A 95 11.193 -4.680 4.808 1.00 0.00 C ATOM 1420 C ILE A 95 11.606 -5.278 6.159 1.00 0.00 C ATOM 1421 O ILE A 95 12.780 -5.618 6.343 1.00 0.00 O ATOM 1422 CB ILE A 95 11.526 -5.569 3.585 1.00 0.00 C ATOM 1423 CG1 ILE A 95 10.858 -4.997 2.315 1.00 0.00 C ATOM 1424 CG2 ILE A 95 11.057 -7.020 3.774 1.00 0.00 C ATOM 1425 CD1 ILE A 95 11.381 -5.605 1.009 1.00 0.00 C ATOM 0 H ILE A 95 12.752 -3.419 4.221 1.00 0.00 H new ATOM 0 HA ILE A 95 10.106 -4.597 4.814 1.00 0.00 H new ATOM 0 HB ILE A 95 12.611 -5.569 3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.782 -5.163 2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 95 11.013 -3.918 2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.313 -7.603 2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 95 11.548 -7.450 4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.977 -7.037 3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.863 -5.152 0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.451 -5.416 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.201 -6.680 1.011 1.00 0.00 H new ATOM 1437 N GLN A 96 10.663 -5.429 7.092 1.00 0.00 N ATOM 1438 CA GLN A 96 10.841 -6.040 8.416 1.00 0.00 C ATOM 1439 C GLN A 96 9.678 -7.000 8.726 1.00 0.00 C ATOM 1440 O GLN A 96 8.668 -6.955 8.023 1.00 0.00 O ATOM 1441 CB GLN A 96 10.997 -4.955 9.506 1.00 0.00 C ATOM 1442 CG GLN A 96 10.147 -3.699 9.342 1.00 0.00 C ATOM 1443 CD GLN A 96 10.248 -2.791 10.571 1.00 0.00 C ATOM 1444 OE1 GLN A 96 9.301 -2.634 11.336 1.00 0.00 O ATOM 1445 NE2 GLN A 96 11.381 -2.139 10.793 1.00 0.00 N ATOM 0 H GLN A 96 9.705 -5.113 6.939 1.00 0.00 H new ATOM 0 HA GLN A 96 11.760 -6.626 8.410 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.760 -5.404 10.471 1.00 0.00 H new ATOM 0 HB3 GLN A 96 12.045 -4.656 9.542 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.470 -3.152 8.456 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.106 -3.981 9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.173 -2.263 10.162 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.461 -1.513 11.594 1.00 0.00 H new ATOM 1454 N PRO A 97 9.794 -7.889 9.732 1.00 0.00 N ATOM 1455 CA PRO A 97 8.747 -8.862 10.030 1.00 0.00 C ATOM 1456 C PRO A 97 7.426 -8.217 10.497 1.00 0.00 C ATOM 1457 O PRO A 97 7.368 -7.044 10.873 1.00 0.00 O ATOM 1458 CB PRO A 97 9.340 -9.807 11.085 1.00 0.00 C ATOM 1459 CG PRO A 97 10.432 -8.970 11.744 1.00 0.00 C ATOM 1460 CD PRO A 97 10.957 -8.141 10.576 1.00 0.00 C ATOM 0 HA PRO A 97 8.463 -9.401 9.126 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.588 -10.124 11.807 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.747 -10.710 10.631 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.037 -8.342 12.543 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.212 -9.592 12.184 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.401 -7.208 10.923 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.732 -8.678 10.029 1.00 0.00 H new ATOM 1468 N MET A 98 6.359 -9.019 10.464 1.00 0.00 N ATOM 1469 CA MET A 98 5.107 -8.811 11.172 1.00 0.00 C ATOM 1470 C MET A 98 5.252 -9.308 12.608 1.00 0.00 C ATOM 1471 O MET A 98 6.213 -9.998 12.948 1.00 0.00 O ATOM 1472 CB MET A 98 3.963 -9.592 10.499 1.00 0.00 C ATOM 1473 CG MET A 98 3.458 -8.917 9.228 1.00 0.00 C ATOM 1474 SD MET A 98 1.807 -9.489 8.750 1.00 0.00 S ATOM 1475 CE MET A 98 2.201 -10.539 7.334 1.00 0.00 C ATOM 0 H MET A 98 6.352 -9.876 9.911 1.00 0.00 H new ATOM 0 HA MET A 98 4.874 -7.746 11.154 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.307 -10.598 10.259 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.137 -9.697 11.203 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.436 -7.838 9.378 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.157 -9.112 8.414 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.298 -11.048 6.996 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.596 -9.925 6.525 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.947 -11.279 7.626 1.00 0.00 H new