USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 636 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 57 GLN : amide:sc= -0.0372 K(o=-0.71,f=-4.2!) USER MOD Set 2.2: A 62 CYS SG : rot 120:sc= -0.668 USER MOD Set 3.1: A 30 CYS SG : rot 137:sc= 0.964 USER MOD Set 3.2: A 79 CYS SG : rot 95:sc= 0.887 USER MOD Set 4.1: A 9 SER OG : rot 26:sc= 1.9 USER MOD Set 4.2: A 81 CYS SG : rot -102:sc= -0.818 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= -0.268 (180deg=-0.268) USER MOD Single : A 17 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.33) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -16:sc= 0.598 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -0.118 (180deg=-0.655) USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= -0.809 (180deg=-1.89) USER MOD Single : A 44 HIS : no HD1:sc= -0.62 X(o=-0.62,f=-0.15) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -2.33! C(o=-2.3!,f=-3.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 77 TYR OH : rot -38:sc= 1.12 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0864 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 9 -1.491 21.168 0.083 1.00 0.00 N ATOM 81 CA SER A 9 -1.029 19.918 0.676 1.00 0.00 C ATOM 82 C SER A 9 -0.755 18.874 -0.402 1.00 0.00 C ATOM 83 O SER A 9 -1.666 18.189 -0.867 1.00 0.00 O ATOM 84 CB SER A 9 -2.067 19.385 1.666 1.00 0.00 C ATOM 85 OG SER A 9 -3.293 19.099 1.015 1.00 0.00 O ATOM 0 HA SER A 9 -0.099 20.118 1.208 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.687 18.483 2.145 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.233 20.119 2.454 1.00 0.00 H new ATOM 0 HG SER A 9 -3.123 18.901 0.070 1.00 0.00 H new ATOM 91 N LYS A 10 0.509 18.759 -0.797 1.00 0.00 N ATOM 92 CA LYS A 10 0.907 17.798 -1.819 1.00 0.00 C ATOM 93 C LYS A 10 1.553 16.569 -1.188 1.00 0.00 C ATOM 94 O LYS A 10 1.655 16.467 0.035 1.00 0.00 O ATOM 95 CB LYS A 10 1.879 18.447 -2.807 1.00 0.00 C ATOM 96 CG LYS A 10 1.377 19.761 -3.380 1.00 0.00 C ATOM 97 CD LYS A 10 0.138 19.559 -4.236 1.00 0.00 C ATOM 98 CE LYS A 10 -1.135 19.700 -3.416 1.00 0.00 C ATOM 99 NZ LYS A 10 -2.272 20.200 -4.238 1.00 0.00 N ATOM 0 H LYS A 10 1.275 19.320 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 10 0.011 17.482 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.832 18.619 -2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.070 17.753 -3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.150 20.450 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.163 20.222 -3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.132 20.287 -5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.169 18.571 -4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.397 18.735 -2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.958 20.384 -2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.121 20.282 -3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.033 21.133 -4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.458 19.534 -5.015 1.00 0.00 H new ATOM 113 N PHE A 11 1.987 15.637 -2.030 1.00 0.00 N ATOM 114 CA PHE A 11 2.623 14.414 -1.555 1.00 0.00 C ATOM 115 C PHE A 11 4.143 14.517 -1.653 1.00 0.00 C ATOM 116 O PHE A 11 4.698 14.632 -2.746 1.00 0.00 O ATOM 117 CB PHE A 11 2.130 13.210 -2.360 1.00 0.00 C ATOM 118 CG PHE A 11 0.670 12.916 -2.165 1.00 0.00 C ATOM 119 CD1 PHE A 11 0.200 12.447 -0.949 1.00 0.00 C ATOM 120 CD2 PHE A 11 -0.233 13.109 -3.198 1.00 0.00 C ATOM 121 CE1 PHE A 11 -1.143 12.176 -0.766 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.577 12.840 -3.021 1.00 0.00 C ATOM 123 CZ PHE A 11 -2.032 12.372 -1.804 1.00 0.00 C ATOM 0 H PHE A 11 1.910 15.705 -3.045 1.00 0.00 H new ATOM 0 HA PHE A 11 2.352 14.278 -0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.318 13.389 -3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.710 12.332 -2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.891 12.291 -0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.117 13.474 -4.152 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.496 11.812 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.271 12.996 -3.834 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.082 12.160 -1.664 1.00 0.00 H new ATOM 133 N ILE A 12 4.808 14.476 -0.503 1.00 0.00 N ATOM 134 CA ILE A 12 6.262 14.565 -0.460 1.00 0.00 C ATOM 135 C ILE A 12 6.905 13.220 -0.779 1.00 0.00 C ATOM 136 O ILE A 12 7.627 13.085 -1.765 1.00 0.00 O ATOM 137 CB ILE A 12 6.756 15.043 0.919 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.725 15.976 1.558 1.00 0.00 C ATOM 139 CG2 ILE A 12 8.101 15.742 0.787 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.241 17.068 0.631 1.00 0.00 C ATOM 0 H ILE A 12 4.363 14.382 0.410 1.00 0.00 H new ATOM 0 HA ILE A 12 6.556 15.294 -1.215 1.00 0.00 H new ATOM 0 HB ILE A 12 6.882 14.174 1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.870 15.387 1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.161 16.432 2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.437 16.074 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.831 15.049 0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.000 16.604 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.513 17.690 1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.086 17.682 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.775 16.620 -0.247 1.00 0.00 H new ATOM 152 N GLU A 13 6.635 12.226 0.063 1.00 0.00 N ATOM 153 CA GLU A 13 7.186 10.891 -0.131 1.00 0.00 C ATOM 154 C GLU A 13 6.425 10.140 -1.220 1.00 0.00 C ATOM 155 O GLU A 13 7.010 9.375 -1.986 1.00 0.00 O ATOM 156 CB GLU A 13 7.137 10.100 1.178 1.00 0.00 C ATOM 157 CG GLU A 13 7.503 8.634 1.018 1.00 0.00 C ATOM 158 CD GLU A 13 8.867 8.439 0.384 1.00 0.00 C ATOM 159 OE1 GLU A 13 9.876 8.493 1.117 1.00 0.00 O ATOM 160 OE2 GLU A 13 8.924 8.232 -0.847 1.00 0.00 O ATOM 0 H GLU A 13 6.038 12.321 0.885 1.00 0.00 H new ATOM 0 HA GLU A 13 8.224 10.997 -0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.817 10.559 1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.134 10.171 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.488 8.151 1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.748 8.140 0.407 1.00 0.00 H new ATOM 167 N GLY A 14 5.116 10.366 -1.282 1.00 0.00 N ATOM 168 CA GLY A 14 4.296 9.704 -2.279 1.00 0.00 C ATOM 169 C GLY A 14 4.206 8.207 -2.056 1.00 0.00 C ATOM 170 O GLY A 14 5.031 7.627 -1.349 1.00 0.00 O ATOM 0 H GLY A 14 4.609 10.996 -0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.293 10.131 -2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.708 9.896 -3.270 1.00 0.00 H new ATOM 174 N LEU A 15 3.201 7.580 -2.657 1.00 0.00 N ATOM 175 CA LEU A 15 3.004 6.141 -2.519 1.00 0.00 C ATOM 176 C LEU A 15 3.943 5.372 -3.444 1.00 0.00 C ATOM 177 O LEU A 15 4.007 5.643 -4.643 1.00 0.00 O ATOM 178 CB LEU A 15 1.552 5.773 -2.826 1.00 0.00 C ATOM 179 CG LEU A 15 0.506 6.283 -1.834 1.00 0.00 C ATOM 180 CD1 LEU A 15 -0.893 6.136 -2.412 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.619 5.540 -0.511 1.00 0.00 C ATOM 0 H LEU A 15 2.510 8.045 -3.245 1.00 0.00 H new ATOM 0 HA LEU A 15 3.232 5.865 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.302 6.156 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.476 4.687 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 15 0.692 7.341 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.624 6.504 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.968 6.713 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.090 5.085 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.133 5.916 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.459 4.475 -0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.612 5.696 -0.090 1.00 0.00 H new ATOM 193 N ARG A 16 4.666 4.412 -2.878 1.00 0.00 N ATOM 194 CA ARG A 16 5.600 3.603 -3.652 1.00 0.00 C ATOM 195 C ARG A 16 5.060 2.190 -3.852 1.00 0.00 C ATOM 196 O ARG A 16 4.156 1.754 -3.140 1.00 0.00 O ATOM 197 CB ARG A 16 6.960 3.546 -2.954 1.00 0.00 C ATOM 198 CG ARG A 16 6.884 3.076 -1.510 1.00 0.00 C ATOM 199 CD ARG A 16 8.217 2.522 -1.033 1.00 0.00 C ATOM 200 NE ARG A 16 8.501 1.210 -1.609 1.00 0.00 N ATOM 201 CZ ARG A 16 9.433 0.388 -1.140 1.00 0.00 C ATOM 202 NH1 ARG A 16 10.167 0.741 -0.093 1.00 0.00 N ATOM 203 NH2 ARG A 16 9.633 -0.789 -1.718 1.00 0.00 N ATOM 0 H ARG A 16 4.623 4.175 -1.887 1.00 0.00 H new ATOM 0 HA ARG A 16 5.720 4.070 -4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.617 2.878 -3.511 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.415 4.536 -2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.585 3.907 -0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.115 2.309 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.014 3.216 -1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.210 2.447 0.054 1.00 0.00 H new ATOM 0 HE ARG A 16 7.954 0.909 -2.415 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.016 1.645 0.354 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.882 0.108 0.265 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.071 -1.064 -2.524 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.349 -1.419 -1.357 1.00 0.00 H new ATOM 217 N ASN A 17 5.619 1.480 -4.826 1.00 0.00 N ATOM 218 CA ASN A 17 5.193 0.116 -5.120 1.00 0.00 C ATOM 219 C ASN A 17 5.328 -0.773 -3.888 1.00 0.00 C ATOM 220 O ASN A 17 6.436 -1.118 -3.478 1.00 0.00 O ATOM 221 CB ASN A 17 6.017 -0.461 -6.273 1.00 0.00 C ATOM 222 CG ASN A 17 7.490 -0.121 -6.157 1.00 0.00 C ATOM 223 OD1 ASN A 17 8.226 -0.748 -5.394 1.00 0.00 O ATOM 224 ND2 ASN A 17 7.929 0.878 -6.915 1.00 0.00 N ATOM 0 H ASN A 17 6.368 1.826 -5.425 1.00 0.00 H new ATOM 0 HA ASN A 17 4.143 0.145 -5.412 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.898 -1.544 -6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.632 -0.079 -7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.911 1.152 -6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.284 1.370 -7.533 1.00 0.00 H new ATOM 231 N GLU A 18 4.192 -1.142 -3.304 1.00 0.00 N ATOM 232 CA GLU A 18 4.184 -1.992 -2.119 1.00 0.00 C ATOM 233 C GLU A 18 3.921 -3.447 -2.494 1.00 0.00 C ATOM 234 O GLU A 18 3.052 -3.738 -3.315 1.00 0.00 O ATOM 235 CB GLU A 18 3.125 -1.510 -1.125 1.00 0.00 C ATOM 236 CG GLU A 18 2.874 -2.481 0.016 1.00 0.00 C ATOM 237 CD GLU A 18 4.106 -2.708 0.871 1.00 0.00 C ATOM 238 OE1 GLU A 18 4.331 -1.915 1.809 1.00 0.00 O ATOM 239 OE2 GLU A 18 4.843 -3.679 0.602 1.00 0.00 O ATOM 0 H GLU A 18 3.266 -0.866 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 18 5.166 -1.928 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.436 -0.550 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.190 -1.339 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.067 -2.099 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.538 -3.435 -0.391 1.00 0.00 H new ATOM 246 N GLU A 19 4.678 -4.355 -1.887 1.00 0.00 N ATOM 247 CA GLU A 19 4.527 -5.780 -2.159 1.00 0.00 C ATOM 248 C GLU A 19 4.365 -6.567 -0.862 1.00 0.00 C ATOM 249 O GLU A 19 5.221 -6.513 0.020 1.00 0.00 O ATOM 250 CB GLU A 19 5.734 -6.304 -2.940 1.00 0.00 C ATOM 251 CG GLU A 19 5.826 -7.820 -2.973 1.00 0.00 C ATOM 252 CD GLU A 19 7.031 -8.314 -3.750 1.00 0.00 C ATOM 253 OE1 GLU A 19 8.157 -8.228 -3.218 1.00 0.00 O ATOM 254 OE2 GLU A 19 6.847 -8.788 -4.891 1.00 0.00 O ATOM 0 H GLU A 19 5.402 -4.130 -1.204 1.00 0.00 H new ATOM 0 HA GLU A 19 3.628 -5.916 -2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.685 -5.929 -3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.645 -5.903 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.876 -8.200 -1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.919 -8.226 -3.420 1.00 0.00 H new ATOM 261 N ALA A 20 3.261 -7.299 -0.755 1.00 0.00 N ATOM 262 CA ALA A 20 2.986 -8.098 0.433 1.00 0.00 C ATOM 263 C ALA A 20 2.588 -9.521 0.056 1.00 0.00 C ATOM 264 O ALA A 20 2.414 -9.838 -1.121 1.00 0.00 O ATOM 265 CB ALA A 20 1.895 -7.446 1.268 1.00 0.00 C ATOM 0 H ALA A 20 2.542 -7.355 -1.477 1.00 0.00 H new ATOM 0 HA ALA A 20 3.899 -8.148 1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.701 -8.054 2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.218 -6.451 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.983 -7.365 0.676 1.00 0.00 H new ATOM 271 N THR A 21 2.444 -10.377 1.064 1.00 0.00 N ATOM 272 CA THR A 21 2.067 -11.767 0.838 1.00 0.00 C ATOM 273 C THR A 21 0.582 -11.984 1.103 1.00 0.00 C ATOM 274 O THR A 21 0.020 -11.414 2.038 1.00 0.00 O ATOM 275 CB THR A 21 2.881 -12.721 1.732 1.00 0.00 C ATOM 276 OG1 THR A 21 4.282 -12.526 1.508 1.00 0.00 O ATOM 277 CG2 THR A 21 2.515 -14.171 1.450 1.00 0.00 C ATOM 0 H THR A 21 2.583 -10.132 2.044 1.00 0.00 H new ATOM 0 HA THR A 21 2.282 -11.987 -0.208 1.00 0.00 H new ATOM 0 HB THR A 21 2.645 -12.498 2.773 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.793 -13.135 2.081 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.103 -14.826 2.093 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.454 -14.324 1.649 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.726 -14.403 0.406 1.00 0.00 H new ATOM 285 N GLU A 22 -0.048 -12.812 0.275 1.00 0.00 N ATOM 286 CA GLU A 22 -1.469 -13.103 0.422 1.00 0.00 C ATOM 287 C GLU A 22 -1.811 -13.429 1.873 1.00 0.00 C ATOM 288 O GLU A 22 -1.024 -14.055 2.582 1.00 0.00 O ATOM 289 CB GLU A 22 -1.868 -14.271 -0.482 1.00 0.00 C ATOM 290 CG GLU A 22 -3.344 -14.284 -0.843 1.00 0.00 C ATOM 291 CD GLU A 22 -3.715 -15.449 -1.741 1.00 0.00 C ATOM 292 OE1 GLU A 22 -4.028 -16.533 -1.205 1.00 0.00 O ATOM 293 OE2 GLU A 22 -3.692 -15.277 -2.977 1.00 0.00 O ATOM 0 H GLU A 22 0.403 -13.292 -0.504 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.028 -12.215 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.279 -14.228 -1.398 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.616 -15.207 0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.937 -14.331 0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.600 -13.349 -1.342 1.00 0.00 H new ATOM 300 N GLY A 23 -2.991 -12.997 2.308 1.00 0.00 N ATOM 301 CA GLY A 23 -3.416 -13.251 3.672 1.00 0.00 C ATOM 302 C GLY A 23 -2.986 -12.155 4.627 1.00 0.00 C ATOM 303 O GLY A 23 -3.795 -11.644 5.401 1.00 0.00 O ATOM 0 H GLY A 23 -3.660 -12.476 1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.501 -13.347 3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.003 -14.203 4.007 1.00 0.00 H new ATOM 307 N ASP A 24 -1.708 -11.796 4.575 1.00 0.00 N ATOM 308 CA ASP A 24 -1.170 -10.754 5.443 1.00 0.00 C ATOM 309 C ASP A 24 -2.012 -9.485 5.354 1.00 0.00 C ATOM 310 O ASP A 24 -3.056 -9.463 4.700 1.00 0.00 O ATOM 311 CB ASP A 24 0.280 -10.446 5.067 1.00 0.00 C ATOM 312 CG ASP A 24 1.063 -9.853 6.222 1.00 0.00 C ATOM 313 OD1 ASP A 24 0.988 -10.408 7.338 1.00 0.00 O ATOM 314 OD2 ASP A 24 1.752 -8.833 6.009 1.00 0.00 O ATOM 0 H ASP A 24 -1.025 -12.211 3.941 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.201 -11.118 6.470 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.768 -11.361 4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.295 -9.752 4.227 1.00 0.00 H new ATOM 319 N THR A 25 -1.553 -8.429 6.017 1.00 0.00 N ATOM 320 CA THR A 25 -2.264 -7.157 6.016 1.00 0.00 C ATOM 321 C THR A 25 -1.364 -6.024 5.535 1.00 0.00 C ATOM 322 O THR A 25 -0.581 -5.471 6.307 1.00 0.00 O ATOM 323 CB THR A 25 -2.800 -6.811 7.418 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.697 -7.834 7.865 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.518 -5.470 7.408 1.00 0.00 C ATOM 0 H THR A 25 -0.691 -8.429 6.562 1.00 0.00 H new ATOM 0 HA THR A 25 -3.104 -7.266 5.331 1.00 0.00 H new ATOM 0 HB THR A 25 -1.953 -6.746 8.101 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.032 -7.608 8.758 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.887 -5.248 8.409 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.825 -4.689 7.095 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.356 -5.511 6.713 1.00 0.00 H new ATOM 333 N ALA A 26 -1.482 -5.683 4.256 1.00 0.00 N ATOM 334 CA ALA A 26 -0.681 -4.614 3.674 1.00 0.00 C ATOM 335 C ALA A 26 -0.766 -3.344 4.514 1.00 0.00 C ATOM 336 O ALA A 26 -1.602 -3.235 5.412 1.00 0.00 O ATOM 337 CB ALA A 26 -1.129 -4.336 2.246 1.00 0.00 C ATOM 0 H ALA A 26 -2.125 -6.132 3.603 1.00 0.00 H new ATOM 0 HA ALA A 26 0.359 -4.940 3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.522 -3.535 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.009 -5.238 1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.177 -4.036 2.245 1.00 0.00 H new ATOM 343 N THR A 27 0.105 -2.384 4.217 1.00 0.00 N ATOM 344 CA THR A 27 0.130 -1.123 4.946 1.00 0.00 C ATOM 345 C THR A 27 0.860 -0.044 4.154 1.00 0.00 C ATOM 346 O THR A 27 2.088 -0.051 4.061 1.00 0.00 O ATOM 347 CB THR A 27 0.808 -1.281 6.321 1.00 0.00 C ATOM 348 OG1 THR A 27 0.111 -2.259 7.101 1.00 0.00 O ATOM 349 CG2 THR A 27 0.834 0.044 7.067 1.00 0.00 C ATOM 0 H THR A 27 0.802 -2.457 3.476 1.00 0.00 H new ATOM 0 HA THR A 27 -0.908 -0.823 5.093 1.00 0.00 H new ATOM 0 HB THR A 27 1.835 -1.609 6.160 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.770 -2.426 6.705 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.317 -0.093 8.034 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.390 0.779 6.484 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.186 0.397 7.218 1.00 0.00 H new ATOM 357 N LEU A 28 0.097 0.883 3.585 1.00 0.00 N ATOM 358 CA LEU A 28 0.672 1.970 2.800 1.00 0.00 C ATOM 359 C LEU A 28 0.694 3.268 3.602 1.00 0.00 C ATOM 360 O LEU A 28 -0.042 3.419 4.577 1.00 0.00 O ATOM 361 CB LEU A 28 -0.123 2.169 1.509 1.00 0.00 C ATOM 362 CG LEU A 28 -0.036 1.036 0.486 1.00 0.00 C ATOM 363 CD1 LEU A 28 -1.315 0.955 -0.332 1.00 0.00 C ATOM 364 CD2 LEU A 28 1.169 1.231 -0.424 1.00 0.00 C ATOM 0 H LEU A 28 -0.921 0.904 3.652 1.00 0.00 H new ATOM 0 HA LEU A 28 1.698 1.701 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.171 2.316 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.219 3.088 1.033 1.00 0.00 H new ATOM 0 HG LEU A 28 0.087 0.096 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.234 0.143 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.160 0.768 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.470 1.896 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.216 0.416 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.076 2.179 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.080 1.238 0.175 1.00 0.00 H new ATOM 376 N TRP A 29 1.541 4.201 3.184 1.00 0.00 N ATOM 377 CA TRP A 29 1.658 5.487 3.862 1.00 0.00 C ATOM 378 C TRP A 29 2.293 6.529 2.948 1.00 0.00 C ATOM 379 O TRP A 29 3.057 6.191 2.043 1.00 0.00 O ATOM 380 CB TRP A 29 2.484 5.340 5.140 1.00 0.00 C ATOM 381 CG TRP A 29 3.961 5.304 4.892 1.00 0.00 C ATOM 382 CD1 TRP A 29 4.749 4.193 4.794 1.00 0.00 C ATOM 383 CD2 TRP A 29 4.828 6.429 4.712 1.00 0.00 C ATOM 384 NE1 TRP A 29 6.053 4.560 4.564 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.128 5.926 4.508 1.00 0.00 C ATOM 386 CE3 TRP A 29 4.632 7.813 4.701 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.223 6.759 4.298 1.00 0.00 C ATOM 388 CZ3 TRP A 29 5.720 8.638 4.493 1.00 0.00 C ATOM 389 CH2 TRP A 29 7.003 8.110 4.293 1.00 0.00 C ATOM 0 H TRP A 29 2.157 4.091 2.379 1.00 0.00 H new ATOM 0 HA TRP A 29 0.655 5.824 4.123 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.255 6.170 5.809 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.187 4.425 5.653 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.399 3.175 4.884 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.838 3.919 4.453 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.647 8.230 4.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.212 6.353 4.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.580 9.709 4.484 1.00 0.00 H new ATOM 0 HH2 TRP A 29 7.833 8.782 4.132 1.00 0.00 H new ATOM 400 N CYS A 30 1.974 7.795 3.190 1.00 0.00 N ATOM 401 CA CYS A 30 2.515 8.887 2.388 1.00 0.00 C ATOM 402 C CYS A 30 2.674 10.151 3.226 1.00 0.00 C ATOM 403 O CYS A 30 1.879 10.412 4.128 1.00 0.00 O ATOM 404 CB CYS A 30 1.606 9.166 1.190 1.00 0.00 C ATOM 405 SG CYS A 30 0.026 9.932 1.625 1.00 0.00 S ATOM 0 H CYS A 30 1.343 8.091 3.935 1.00 0.00 H new ATOM 0 HA CYS A 30 3.499 8.587 2.027 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.133 9.816 0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.412 8.229 0.669 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.246 10.879 0.776 1.00 0.00 H new ATOM 411 N GLU A 31 3.707 10.930 2.922 1.00 0.00 N ATOM 412 CA GLU A 31 3.971 12.166 3.650 1.00 0.00 C ATOM 413 C GLU A 31 3.169 13.325 3.064 1.00 0.00 C ATOM 414 O GLU A 31 2.743 13.278 1.910 1.00 0.00 O ATOM 415 CB GLU A 31 5.465 12.495 3.614 1.00 0.00 C ATOM 416 CG GLU A 31 5.949 13.258 4.836 1.00 0.00 C ATOM 417 CD GLU A 31 6.358 12.341 5.972 1.00 0.00 C ATOM 418 OE1 GLU A 31 5.462 11.751 6.611 1.00 0.00 O ATOM 419 OE2 GLU A 31 7.575 12.214 6.222 1.00 0.00 O ATOM 0 H GLU A 31 4.374 10.728 2.177 1.00 0.00 H new ATOM 0 HA GLU A 31 3.663 12.021 4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.031 11.567 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.678 13.083 2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.796 13.884 4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.159 13.926 5.179 1.00 0.00 H new ATOM 426 N LEU A 32 2.968 14.363 3.868 1.00 0.00 N ATOM 427 CA LEU A 32 2.217 15.534 3.431 1.00 0.00 C ATOM 428 C LEU A 32 2.927 16.820 3.842 1.00 0.00 C ATOM 429 O LEU A 32 3.573 16.878 4.888 1.00 0.00 O ATOM 430 CB LEU A 32 0.805 15.508 4.019 1.00 0.00 C ATOM 431 CG LEU A 32 -0.250 16.324 3.270 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.604 15.655 1.951 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.492 16.506 4.129 1.00 0.00 C ATOM 0 H LEU A 32 3.315 14.417 4.826 1.00 0.00 H new ATOM 0 HA LEU A 32 2.151 15.508 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.470 14.472 4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.854 15.870 5.046 1.00 0.00 H new ATOM 0 HG LEU A 32 0.165 17.309 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.356 16.249 1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.289 15.578 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.999 14.658 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.232 17.089 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.910 15.530 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.226 17.030 5.047 1.00 0.00 H new ATOM 445 N SER A 33 2.800 17.851 3.012 1.00 0.00 N ATOM 446 CA SER A 33 3.431 19.137 3.288 1.00 0.00 C ATOM 447 C SER A 33 2.602 19.946 4.281 1.00 0.00 C ATOM 448 O SER A 33 3.129 20.795 5.001 1.00 0.00 O ATOM 449 CB SER A 33 3.610 19.929 1.991 1.00 0.00 C ATOM 450 OG SER A 33 2.476 20.735 1.725 1.00 0.00 O ATOM 0 H SER A 33 2.266 17.821 2.143 1.00 0.00 H new ATOM 0 HA SER A 33 4.410 18.947 3.728 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.498 20.557 2.065 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.774 19.242 1.161 1.00 0.00 H new ATOM 0 HG SER A 33 2.616 21.232 0.892 1.00 0.00 H new ATOM 456 N LYS A 34 1.302 19.678 4.314 1.00 0.00 N ATOM 457 CA LYS A 34 0.398 20.379 5.219 1.00 0.00 C ATOM 458 C LYS A 34 -0.670 19.434 5.761 1.00 0.00 C ATOM 459 O LYS A 34 -1.581 19.032 5.039 1.00 0.00 O ATOM 460 CB LYS A 34 -0.265 21.556 4.500 1.00 0.00 C ATOM 461 CG LYS A 34 -1.565 22.007 5.143 1.00 0.00 C ATOM 462 CD LYS A 34 -1.330 22.593 6.525 1.00 0.00 C ATOM 463 CE LYS A 34 -2.398 23.613 6.887 1.00 0.00 C ATOM 464 NZ LYS A 34 -2.367 24.795 5.981 1.00 0.00 N ATOM 0 H LYS A 34 0.850 18.980 3.724 1.00 0.00 H new ATOM 0 HA LYS A 34 0.984 20.756 6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.430 22.395 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.460 21.276 3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.047 22.751 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.248 21.161 5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.325 21.792 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.348 23.065 6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.380 23.143 6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.253 23.941 7.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.758 25.622 6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.385 24.991 5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.937 24.598 5.134 1.00 0.00 H new ATOM 478 N ALA A 35 -0.551 19.085 7.038 1.00 0.00 N ATOM 479 CA ALA A 35 -1.508 18.191 7.678 1.00 0.00 C ATOM 480 C ALA A 35 -2.915 18.411 7.132 1.00 0.00 C ATOM 481 O ALA A 35 -3.515 19.464 7.344 1.00 0.00 O ATOM 482 CB ALA A 35 -1.488 18.388 9.186 1.00 0.00 C ATOM 0 H ALA A 35 0.199 19.408 7.650 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.216 17.165 7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.208 17.714 9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.490 18.173 9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.752 19.419 9.422 1.00 0.00 H new ATOM 488 N ALA A 36 -3.434 17.411 6.427 1.00 0.00 N ATOM 489 CA ALA A 36 -4.771 17.496 5.852 1.00 0.00 C ATOM 490 C ALA A 36 -5.373 16.108 5.657 1.00 0.00 C ATOM 491 O ALA A 36 -4.666 15.118 5.474 1.00 0.00 O ATOM 492 CB ALA A 36 -4.730 18.246 4.528 1.00 0.00 C ATOM 0 H ALA A 36 -2.949 16.533 6.240 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.405 18.045 6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.735 18.302 4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.349 19.254 4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.076 17.720 3.832 1.00 0.00 H new ATOM 498 N PRO A 37 -6.712 16.033 5.697 1.00 0.00 N ATOM 499 CA PRO A 37 -7.439 14.771 5.527 1.00 0.00 C ATOM 500 C PRO A 37 -7.354 14.241 4.100 1.00 0.00 C ATOM 501 O PRO A 37 -7.860 14.863 3.165 1.00 0.00 O ATOM 502 CB PRO A 37 -8.883 15.144 5.874 1.00 0.00 C ATOM 503 CG PRO A 37 -8.974 16.605 5.594 1.00 0.00 C ATOM 504 CD PRO A 37 -7.619 17.173 5.911 1.00 0.00 C ATOM 0 HA PRO A 37 -7.028 13.977 6.150 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.594 14.580 5.270 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.108 14.926 6.918 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.239 16.787 4.553 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.746 17.072 6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.372 18.011 5.259 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.567 17.541 6.936 1.00 0.00 H new ATOM 512 N VAL A 38 -6.713 13.088 3.939 1.00 0.00 N ATOM 513 CA VAL A 38 -6.563 12.473 2.625 1.00 0.00 C ATOM 514 C VAL A 38 -7.653 11.437 2.376 1.00 0.00 C ATOM 515 O VAL A 38 -8.430 11.111 3.274 1.00 0.00 O ATOM 516 CB VAL A 38 -5.186 11.801 2.474 1.00 0.00 C ATOM 517 CG1 VAL A 38 -4.072 12.827 2.614 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.024 10.683 3.493 1.00 0.00 C ATOM 0 H VAL A 38 -6.289 12.561 4.702 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.651 13.272 1.889 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.122 11.365 1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.107 12.333 2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.180 13.589 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.130 13.296 3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.045 10.219 3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.109 11.093 4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.802 9.935 3.339 1.00 0.00 H new ATOM 528 N GLU A 39 -7.704 10.921 1.152 1.00 0.00 N ATOM 529 CA GLU A 39 -8.699 9.921 0.786 1.00 0.00 C ATOM 530 C GLU A 39 -8.076 8.821 -0.069 1.00 0.00 C ATOM 531 O GLU A 39 -7.488 9.091 -1.116 1.00 0.00 O ATOM 532 CB GLU A 39 -9.857 10.575 0.029 1.00 0.00 C ATOM 533 CG GLU A 39 -10.938 9.595 -0.395 1.00 0.00 C ATOM 534 CD GLU A 39 -12.245 10.282 -0.740 1.00 0.00 C ATOM 535 OE1 GLU A 39 -12.947 10.725 0.193 1.00 0.00 O ATOM 536 OE2 GLU A 39 -12.567 10.376 -1.943 1.00 0.00 O ATOM 0 H GLU A 39 -7.068 11.179 0.398 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.080 9.473 1.703 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.303 11.345 0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.465 11.075 -0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.591 9.028 -1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.109 8.879 0.409 1.00 0.00 H new ATOM 543 N TRP A 40 -8.209 7.580 0.387 1.00 0.00 N ATOM 544 CA TRP A 40 -7.659 6.439 -0.335 1.00 0.00 C ATOM 545 C TRP A 40 -8.691 5.850 -1.291 1.00 0.00 C ATOM 546 O TRP A 40 -9.889 5.867 -1.012 1.00 0.00 O ATOM 547 CB TRP A 40 -7.187 5.367 0.649 1.00 0.00 C ATOM 548 CG TRP A 40 -6.150 5.859 1.612 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.369 6.544 2.773 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.731 5.707 1.496 1.00 0.00 C ATOM 551 NE1 TRP A 40 -5.172 6.827 3.386 1.00 0.00 N ATOM 552 CE2 TRP A 40 -4.152 6.323 2.622 1.00 0.00 C ATOM 553 CE3 TRP A 40 -3.894 5.108 0.551 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.775 6.357 2.826 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.527 5.143 0.755 1.00 0.00 C ATOM 556 CH2 TRP A 40 -1.979 5.763 1.885 1.00 0.00 C ATOM 0 H TRP A 40 -8.692 7.339 1.252 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.807 6.787 -0.920 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.045 4.995 1.209 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.782 4.524 0.090 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.341 6.823 3.154 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.061 7.330 4.266 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.307 4.626 -0.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.350 6.835 3.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.870 4.684 0.030 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.907 5.772 2.016 1.00 0.00 H new ATOM 567 N ARG A 41 -8.217 5.330 -2.419 1.00 0.00 N ATOM 568 CA ARG A 41 -9.100 4.738 -3.416 1.00 0.00 C ATOM 569 C ARG A 41 -8.537 3.412 -3.921 1.00 0.00 C ATOM 570 O ARG A 41 -7.333 3.281 -4.142 1.00 0.00 O ATOM 571 CB ARG A 41 -9.298 5.700 -4.589 1.00 0.00 C ATOM 572 CG ARG A 41 -9.918 7.028 -4.188 1.00 0.00 C ATOM 573 CD ARG A 41 -9.465 8.154 -5.105 1.00 0.00 C ATOM 574 NE ARG A 41 -10.220 8.180 -6.355 1.00 0.00 N ATOM 575 CZ ARG A 41 -11.426 8.722 -6.473 1.00 0.00 C ATOM 576 NH1 ARG A 41 -12.012 9.281 -5.423 1.00 0.00 N ATOM 577 NH2 ARG A 41 -12.050 8.706 -7.645 1.00 0.00 N ATOM 0 H ARG A 41 -7.227 5.307 -2.665 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.064 4.548 -2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.334 5.887 -5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.932 5.223 -5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.005 6.947 -4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.644 7.263 -3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.581 9.108 -4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.404 8.038 -5.325 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.798 7.759 -7.182 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.536 9.295 -4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.939 9.697 -5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.603 8.277 -8.455 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.977 9.123 -7.735 1.00 0.00 H new ATOM 591 N LYS A 42 -9.416 2.432 -4.102 1.00 0.00 N ATOM 592 CA LYS A 42 -9.009 1.117 -4.581 1.00 0.00 C ATOM 593 C LYS A 42 -9.870 0.677 -5.761 1.00 0.00 C ATOM 594 O LYS A 42 -10.892 0.016 -5.583 1.00 0.00 O ATOM 595 CB LYS A 42 -9.105 0.088 -3.453 1.00 0.00 C ATOM 596 CG LYS A 42 -8.642 -1.301 -3.856 1.00 0.00 C ATOM 597 CD LYS A 42 -8.908 -2.318 -2.759 1.00 0.00 C ATOM 598 CE LYS A 42 -8.813 -3.743 -3.284 1.00 0.00 C ATOM 599 NZ LYS A 42 -8.984 -4.747 -2.198 1.00 0.00 N ATOM 0 H LYS A 42 -10.416 2.524 -3.924 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.974 1.184 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.507 0.430 -2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.138 0.032 -3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.155 -1.606 -4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.576 -1.279 -4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.190 -2.179 -1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.899 -2.150 -2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.575 -3.900 -4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.846 -3.889 -3.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.200 -5.675 -2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.106 -4.812 -1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.765 -4.456 -1.576 1.00 0.00 H new ATOM 613 N GLY A 43 -9.449 1.048 -6.966 1.00 0.00 N ATOM 614 CA GLY A 43 -10.194 0.681 -8.157 1.00 0.00 C ATOM 615 C GLY A 43 -11.515 1.417 -8.264 1.00 0.00 C ATOM 616 O GLY A 43 -12.556 0.901 -7.857 1.00 0.00 O ATOM 0 H GLY A 43 -8.606 1.596 -7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.590 0.894 -9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.380 -0.393 -8.149 1.00 0.00 H new ATOM 620 N HIS A 44 -11.474 2.627 -8.813 1.00 0.00 N ATOM 621 CA HIS A 44 -12.677 3.435 -8.972 1.00 0.00 C ATOM 622 C HIS A 44 -13.607 3.267 -7.774 1.00 0.00 C ATOM 623 O HIS A 44 -14.824 3.173 -7.930 1.00 0.00 O ATOM 624 CB HIS A 44 -13.409 3.052 -10.259 1.00 0.00 C ATOM 625 CG HIS A 44 -14.360 4.102 -10.742 1.00 0.00 C ATOM 626 ND1 HIS A 44 -14.018 5.054 -11.680 1.00 0.00 N ATOM 627 CD2 HIS A 44 -15.651 4.347 -10.414 1.00 0.00 C ATOM 628 CE1 HIS A 44 -15.056 5.839 -11.906 1.00 0.00 C ATOM 629 NE2 HIS A 44 -16.059 5.431 -11.151 1.00 0.00 N ATOM 0 H HIS A 44 -10.621 3.069 -9.155 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.376 4.481 -9.032 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.675 2.852 -11.039 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -13.958 2.125 -10.093 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -16.248 3.793 -9.705 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -15.080 6.673 -12.592 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -16.987 5.853 -11.120 1.00 0.00 H new ATOM 638 N GLU A 45 -13.025 3.227 -6.580 1.00 0.00 N ATOM 639 CA GLU A 45 -13.802 3.068 -5.357 1.00 0.00 C ATOM 640 C GLU A 45 -13.082 3.699 -4.168 1.00 0.00 C ATOM 641 O GLU A 45 -11.855 3.657 -4.077 1.00 0.00 O ATOM 642 CB GLU A 45 -14.063 1.585 -5.081 1.00 0.00 C ATOM 643 CG GLU A 45 -15.109 1.341 -4.007 1.00 0.00 C ATOM 644 CD GLU A 45 -15.673 -0.066 -4.052 1.00 0.00 C ATOM 645 OE1 GLU A 45 -14.981 -0.967 -4.569 1.00 0.00 O ATOM 646 OE2 GLU A 45 -16.807 -0.266 -3.569 1.00 0.00 O ATOM 0 H GLU A 45 -12.018 3.302 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.755 3.578 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.384 1.103 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.129 1.110 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.667 1.520 -3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.921 2.058 -4.126 1.00 0.00 H new ATOM 653 N THR A 46 -13.855 4.283 -3.258 1.00 0.00 N ATOM 654 CA THR A 46 -13.292 4.924 -2.076 1.00 0.00 C ATOM 655 C THR A 46 -13.241 3.958 -0.898 1.00 0.00 C ATOM 656 O THR A 46 -14.245 3.337 -0.548 1.00 0.00 O ATOM 657 CB THR A 46 -14.106 6.168 -1.670 1.00 0.00 C ATOM 658 OG1 THR A 46 -14.308 7.013 -2.808 1.00 0.00 O ATOM 659 CG2 THR A 46 -13.394 6.946 -0.574 1.00 0.00 C ATOM 0 H THR A 46 -14.872 4.325 -3.317 1.00 0.00 H new ATOM 0 HA THR A 46 -12.279 5.230 -2.335 1.00 0.00 H new ATOM 0 HB THR A 46 -15.072 5.836 -1.289 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.827 7.801 -2.543 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.987 7.820 -0.304 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.267 6.309 0.301 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.416 7.268 -0.933 1.00 0.00 H new ATOM 667 N LEU A 47 -12.067 3.836 -0.289 1.00 0.00 N ATOM 668 CA LEU A 47 -11.885 2.945 0.851 1.00 0.00 C ATOM 669 C LEU A 47 -12.498 3.544 2.113 1.00 0.00 C ATOM 670 O LEU A 47 -12.490 4.761 2.301 1.00 0.00 O ATOM 671 CB LEU A 47 -10.398 2.668 1.075 1.00 0.00 C ATOM 672 CG LEU A 47 -9.663 1.978 -0.075 1.00 0.00 C ATOM 673 CD1 LEU A 47 -8.180 1.853 0.237 1.00 0.00 C ATOM 674 CD2 LEU A 47 -10.269 0.610 -0.351 1.00 0.00 C ATOM 0 H LEU A 47 -11.226 4.343 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.394 2.006 0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.900 3.615 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.294 2.051 1.968 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.774 2.590 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.674 1.360 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.754 2.846 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.048 1.264 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.733 0.134 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.190 -0.010 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.319 0.725 -0.621 1.00 0.00 H new ATOM 686 N ARG A 48 -13.026 2.682 2.976 1.00 0.00 N ATOM 687 CA ARG A 48 -13.641 3.126 4.220 1.00 0.00 C ATOM 688 C ARG A 48 -13.201 2.248 5.388 1.00 0.00 C ATOM 689 O ARG A 48 -12.879 1.073 5.208 1.00 0.00 O ATOM 690 CB ARG A 48 -15.166 3.101 4.097 1.00 0.00 C ATOM 691 CG ARG A 48 -15.698 3.953 2.956 1.00 0.00 C ATOM 692 CD ARG A 48 -17.087 4.492 3.264 1.00 0.00 C ATOM 693 NE ARG A 48 -17.034 5.771 3.966 1.00 0.00 N ATOM 694 CZ ARG A 48 -18.072 6.593 4.076 1.00 0.00 C ATOM 695 NH1 ARG A 48 -19.238 6.269 3.534 1.00 0.00 N ATOM 696 NH2 ARG A 48 -17.946 7.740 4.730 1.00 0.00 N ATOM 0 H ARG A 48 -13.040 1.672 2.836 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.315 4.148 4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.494 2.071 3.954 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.604 3.448 5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.017 4.784 2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.731 3.360 2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.644 4.611 2.335 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.631 3.768 3.871 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.152 6.049 4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.339 5.387 3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.034 6.902 3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.051 7.992 5.149 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.744 8.370 4.813 1.00 0.00 H new ATOM 710 N ASP A 49 -13.188 2.826 6.584 1.00 0.00 N ATOM 711 CA ASP A 49 -12.787 2.097 7.782 1.00 0.00 C ATOM 712 C ASP A 49 -13.976 1.363 8.394 1.00 0.00 C ATOM 713 O ASP A 49 -14.892 1.984 8.932 1.00 0.00 O ATOM 714 CB ASP A 49 -12.179 3.054 8.808 1.00 0.00 C ATOM 715 CG ASP A 49 -12.893 4.391 8.847 1.00 0.00 C ATOM 716 OD1 ASP A 49 -13.917 4.497 9.554 1.00 0.00 O ATOM 717 OD2 ASP A 49 -12.427 5.332 8.171 1.00 0.00 O ATOM 0 H ASP A 49 -13.451 3.798 6.750 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.036 1.360 7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.218 2.595 9.796 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.127 3.214 8.572 1.00 0.00 H new ATOM 765 N HIS A 53 -10.457 -3.037 6.601 1.00 0.00 N ATOM 766 CA HIS A 53 -9.707 -1.863 6.171 1.00 0.00 C ATOM 767 C HIS A 53 -9.598 -0.844 7.302 1.00 0.00 C ATOM 768 O HIS A 53 -10.453 -0.788 8.185 1.00 0.00 O ATOM 769 CB HIS A 53 -10.376 -1.222 4.954 1.00 0.00 C ATOM 770 CG HIS A 53 -10.141 -1.970 3.678 1.00 0.00 C ATOM 771 ND1 HIS A 53 -11.106 -2.747 3.073 1.00 0.00 N ATOM 772 CD2 HIS A 53 -9.043 -2.056 2.892 1.00 0.00 C ATOM 773 CE1 HIS A 53 -10.612 -3.280 1.970 1.00 0.00 C ATOM 774 NE2 HIS A 53 -9.361 -2.876 1.837 1.00 0.00 N ATOM 0 HA HIS A 53 -8.702 -2.184 5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.449 -1.154 5.133 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.006 -0.203 4.841 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -12.054 -2.888 3.423 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.094 -1.570 3.062 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.140 -3.934 1.292 1.00 0.00 H new ATOM 783 N SER A 54 -8.539 -0.041 7.268 1.00 0.00 N ATOM 784 CA SER A 54 -8.315 0.972 8.292 1.00 0.00 C ATOM 785 C SER A 54 -7.648 2.209 7.696 1.00 0.00 C ATOM 786 O SER A 54 -6.541 2.134 7.161 1.00 0.00 O ATOM 787 CB SER A 54 -7.450 0.406 9.419 1.00 0.00 C ATOM 788 OG SER A 54 -8.160 -0.566 10.167 1.00 0.00 O ATOM 0 H SER A 54 -7.823 -0.073 6.542 1.00 0.00 H new ATOM 0 HA SER A 54 -9.284 1.263 8.698 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.548 -0.040 9.000 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.130 1.214 10.077 1.00 0.00 H new ATOM 0 HG SER A 54 -7.585 -0.914 10.880 1.00 0.00 H new ATOM 794 N LEU A 55 -8.329 3.345 7.792 1.00 0.00 N ATOM 795 CA LEU A 55 -7.804 4.599 7.263 1.00 0.00 C ATOM 796 C LEU A 55 -7.547 5.598 8.387 1.00 0.00 C ATOM 797 O LEU A 55 -8.480 6.181 8.939 1.00 0.00 O ATOM 798 CB LEU A 55 -8.780 5.196 6.248 1.00 0.00 C ATOM 799 CG LEU A 55 -9.016 4.374 4.981 1.00 0.00 C ATOM 800 CD1 LEU A 55 -10.009 3.253 5.248 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.509 5.266 3.850 1.00 0.00 C ATOM 0 H LEU A 55 -9.246 3.424 8.231 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.857 4.387 6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.739 5.348 6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.413 6.180 5.956 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.068 3.928 4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.164 2.679 4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.617 2.598 6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.958 3.678 5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.672 4.664 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.445 5.741 4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.763 6.033 3.640 1.00 0.00 H new ATOM 813 N ARG A 56 -6.275 5.793 8.718 1.00 0.00 N ATOM 814 CA ARG A 56 -5.894 6.723 9.775 1.00 0.00 C ATOM 815 C ARG A 56 -4.811 7.682 9.291 1.00 0.00 C ATOM 816 O ARG A 56 -4.288 7.536 8.187 1.00 0.00 O ATOM 817 CB ARG A 56 -5.401 5.957 11.004 1.00 0.00 C ATOM 818 CG ARG A 56 -4.228 5.034 10.716 1.00 0.00 C ATOM 819 CD ARG A 56 -3.430 4.738 11.976 1.00 0.00 C ATOM 820 NE ARG A 56 -2.047 4.377 11.675 1.00 0.00 N ATOM 821 CZ ARG A 56 -1.067 4.410 12.571 1.00 0.00 C ATOM 822 NH1 ARG A 56 -1.317 4.785 13.818 1.00 0.00 N ATOM 823 NH2 ARG A 56 0.166 4.067 12.221 1.00 0.00 N ATOM 0 H ARG A 56 -5.491 5.320 8.270 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.774 7.305 10.047 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.110 6.671 11.774 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.224 5.369 11.410 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.594 4.101 10.288 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.577 5.492 9.971 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.443 5.612 12.627 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.906 3.925 12.524 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.821 4.083 10.725 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.264 5.049 14.091 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.563 4.809 14.504 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.362 3.778 11.263 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.918 4.093 12.910 1.00 0.00 H new ATOM 837 N GLN A 57 -4.481 8.663 10.125 1.00 0.00 N ATOM 838 CA GLN A 57 -3.461 9.647 9.781 1.00 0.00 C ATOM 839 C GLN A 57 -3.059 10.464 11.004 1.00 0.00 C ATOM 840 O GLN A 57 -3.869 10.698 11.900 1.00 0.00 O ATOM 841 CB GLN A 57 -3.969 10.575 8.676 1.00 0.00 C ATOM 842 CG GLN A 57 -4.727 11.784 9.199 1.00 0.00 C ATOM 843 CD GLN A 57 -5.461 12.531 8.103 1.00 0.00 C ATOM 844 OE1 GLN A 57 -6.670 12.371 7.929 1.00 0.00 O ATOM 845 NE2 GLN A 57 -4.734 13.354 7.357 1.00 0.00 N ATOM 0 H GLN A 57 -4.905 8.798 11.043 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.583 9.112 9.420 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.122 10.917 8.082 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.619 10.010 8.008 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.442 11.460 9.955 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.029 12.461 9.690 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.735 13.456 7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.174 13.884 6.605 1.00 0.00 H new ATOM 854 N ASP A 58 -1.803 10.896 11.033 1.00 0.00 N ATOM 855 CA ASP A 58 -1.293 11.689 12.146 1.00 0.00 C ATOM 856 C ASP A 58 -0.517 12.901 11.640 1.00 0.00 C ATOM 857 O ASP A 58 0.454 12.763 10.897 1.00 0.00 O ATOM 858 CB ASP A 58 -0.397 10.832 13.042 1.00 0.00 C ATOM 859 CG ASP A 58 -1.169 10.163 14.163 1.00 0.00 C ATOM 860 OD1 ASP A 58 -2.206 10.718 14.581 1.00 0.00 O ATOM 861 OD2 ASP A 58 -0.735 9.085 14.621 1.00 0.00 O ATOM 0 H ASP A 58 -1.119 10.711 10.299 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.144 12.043 12.728 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.094 10.069 12.437 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.389 11.456 13.468 1.00 0.00 H new ATOM 866 N GLY A 59 -0.953 14.089 12.047 1.00 0.00 N ATOM 867 CA GLY A 59 -0.289 15.308 11.624 1.00 0.00 C ATOM 868 C GLY A 59 -0.133 15.391 10.118 1.00 0.00 C ATOM 869 O GLY A 59 -1.080 15.726 9.407 1.00 0.00 O ATOM 0 H GLY A 59 -1.754 14.229 12.662 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.858 16.169 11.975 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.694 15.364 12.092 1.00 0.00 H new ATOM 873 N SER A 60 1.065 15.086 9.631 1.00 0.00 N ATOM 874 CA SER A 60 1.344 15.133 8.200 1.00 0.00 C ATOM 875 C SER A 60 1.830 13.777 7.697 1.00 0.00 C ATOM 876 O SER A 60 2.702 13.701 6.831 1.00 0.00 O ATOM 877 CB SER A 60 2.390 16.207 7.898 1.00 0.00 C ATOM 878 OG SER A 60 2.028 17.448 8.478 1.00 0.00 O ATOM 0 H SER A 60 1.859 14.804 10.206 1.00 0.00 H new ATOM 0 HA SER A 60 0.418 15.383 7.682 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.360 15.892 8.281 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.496 16.323 6.819 1.00 0.00 H new ATOM 0 HG SER A 60 2.713 18.118 8.272 1.00 0.00 H new ATOM 884 N ARG A 61 1.260 12.710 8.247 1.00 0.00 N ATOM 885 CA ARG A 61 1.636 11.356 7.855 1.00 0.00 C ATOM 886 C ARG A 61 0.435 10.418 7.921 1.00 0.00 C ATOM 887 O ARG A 61 -0.042 10.079 9.005 1.00 0.00 O ATOM 888 CB ARG A 61 2.755 10.834 8.758 1.00 0.00 C ATOM 889 CG ARG A 61 3.547 9.690 8.146 1.00 0.00 C ATOM 890 CD ARG A 61 4.174 8.811 9.217 1.00 0.00 C ATOM 891 NE ARG A 61 4.345 7.433 8.763 1.00 0.00 N ATOM 892 CZ ARG A 61 5.135 6.553 9.368 1.00 0.00 C ATOM 893 NH1 ARG A 61 5.822 6.904 10.446 1.00 0.00 N ATOM 894 NH2 ARG A 61 5.238 5.317 8.895 1.00 0.00 N ATOM 0 H ARG A 61 0.537 12.756 8.965 1.00 0.00 H new ATOM 0 HA ARG A 61 1.994 11.388 6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.436 11.653 8.989 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.323 10.502 9.702 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.891 9.088 7.517 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.328 10.091 7.500 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.143 9.222 9.502 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.548 8.824 10.109 1.00 0.00 H new ATOM 0 HE ARG A 61 3.830 7.130 7.936 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.745 7.852 10.813 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.428 6.226 10.908 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.710 5.042 8.066 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.845 4.642 9.360 1.00 0.00 H new ATOM 908 N CYS A 62 -0.049 10.003 6.756 1.00 0.00 N ATOM 909 CA CYS A 62 -1.196 9.105 6.681 1.00 0.00 C ATOM 910 C CYS A 62 -0.744 7.659 6.503 1.00 0.00 C ATOM 911 O CYS A 62 0.333 7.397 5.968 1.00 0.00 O ATOM 912 CB CYS A 62 -2.113 9.511 5.526 1.00 0.00 C ATOM 913 SG CYS A 62 -2.335 11.296 5.352 1.00 0.00 S ATOM 0 H CYS A 62 0.335 10.274 5.851 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.748 9.181 7.618 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.706 9.114 4.596 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.089 9.047 5.670 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.918 11.673 4.180 1.00 0.00 H new ATOM 919 N GLU A 63 -1.573 6.725 6.957 1.00 0.00 N ATOM 920 CA GLU A 63 -1.256 5.306 6.850 1.00 0.00 C ATOM 921 C GLU A 63 -2.525 4.477 6.671 1.00 0.00 C ATOM 922 O GLU A 63 -3.421 4.501 7.516 1.00 0.00 O ATOM 923 CB GLU A 63 -0.498 4.835 8.093 1.00 0.00 C ATOM 924 CG GLU A 63 0.321 3.575 7.865 1.00 0.00 C ATOM 925 CD GLU A 63 1.331 3.329 8.969 1.00 0.00 C ATOM 926 OE1 GLU A 63 1.860 4.316 9.521 1.00 0.00 O ATOM 927 OE2 GLU A 63 1.593 2.148 9.280 1.00 0.00 O ATOM 0 H GLU A 63 -2.469 6.925 7.402 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.624 5.166 5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.164 5.633 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.212 4.654 8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.349 2.718 7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.843 3.653 6.911 1.00 0.00 H new ATOM 934 N LEU A 64 -2.595 3.744 5.565 1.00 0.00 N ATOM 935 CA LEU A 64 -3.754 2.908 5.273 1.00 0.00 C ATOM 936 C LEU A 64 -3.435 1.435 5.507 1.00 0.00 C ATOM 937 O LEU A 64 -2.282 1.016 5.406 1.00 0.00 O ATOM 938 CB LEU A 64 -4.209 3.119 3.828 1.00 0.00 C ATOM 939 CG LEU A 64 -5.069 2.007 3.226 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.473 2.043 3.809 1.00 0.00 C ATOM 941 CD2 LEU A 64 -5.116 2.132 1.710 1.00 0.00 C ATOM 0 H LEU A 64 -1.863 3.712 4.856 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.560 3.198 5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.770 4.052 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.324 3.245 3.204 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.618 1.047 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.070 1.245 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.422 1.905 4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.934 3.005 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.732 1.333 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.543 3.097 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.106 2.056 1.307 1.00 0.00 H new ATOM 953 N GLN A 65 -4.464 0.654 5.819 1.00 0.00 N ATOM 954 CA GLN A 65 -4.293 -0.773 6.065 1.00 0.00 C ATOM 955 C GLN A 65 -5.362 -1.583 5.340 1.00 0.00 C ATOM 956 O GLN A 65 -6.524 -1.181 5.279 1.00 0.00 O ATOM 957 CB GLN A 65 -4.348 -1.063 7.566 1.00 0.00 C ATOM 958 CG GLN A 65 -3.583 -2.312 7.974 1.00 0.00 C ATOM 959 CD GLN A 65 -3.285 -2.355 9.459 1.00 0.00 C ATOM 960 OE1 GLN A 65 -4.022 -1.792 10.269 1.00 0.00 O ATOM 961 NE2 GLN A 65 -2.200 -3.027 9.826 1.00 0.00 N ATOM 0 H GLN A 65 -5.425 0.985 5.907 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.317 -1.068 5.680 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.945 -0.207 8.108 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.390 -1.170 7.869 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.161 -3.194 7.698 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.647 -2.358 7.418 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.617 -3.479 9.121 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.949 -3.091 10.813 1.00 0.00 H new ATOM 970 N ILE A 66 -4.961 -2.725 4.791 1.00 0.00 N ATOM 971 CA ILE A 66 -5.885 -3.591 4.070 1.00 0.00 C ATOM 972 C ILE A 66 -5.883 -5.001 4.650 1.00 0.00 C ATOM 973 O ILE A 66 -5.184 -5.886 4.155 1.00 0.00 O ATOM 974 CB ILE A 66 -5.536 -3.664 2.571 1.00 0.00 C ATOM 975 CG1 ILE A 66 -5.560 -2.266 1.951 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.503 -4.588 1.847 1.00 0.00 C ATOM 977 CD1 ILE A 66 -4.800 -2.170 0.647 1.00 0.00 C ATOM 0 H ILE A 66 -4.003 -3.072 4.832 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.878 -3.156 4.183 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.530 -4.070 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.595 -1.970 1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.138 -1.555 2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.244 -4.629 0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.440 -5.588 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.519 -4.209 1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.860 -1.151 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.756 -2.434 0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.236 -2.856 -0.079 1.00 0.00 H new ATOM 989 N ARG A 67 -6.670 -5.204 5.701 1.00 0.00 N ATOM 990 CA ARG A 67 -6.760 -6.507 6.349 1.00 0.00 C ATOM 991 C ARG A 67 -7.281 -7.562 5.378 1.00 0.00 C ATOM 992 O ARG A 67 -8.174 -7.295 4.576 1.00 0.00 O ATOM 993 CB ARG A 67 -7.673 -6.430 7.573 1.00 0.00 C ATOM 994 CG ARG A 67 -6.972 -5.934 8.827 1.00 0.00 C ATOM 995 CD ARG A 67 -7.867 -6.051 10.050 1.00 0.00 C ATOM 996 NE ARG A 67 -7.168 -5.680 11.278 1.00 0.00 N ATOM 997 CZ ARG A 67 -7.660 -5.886 12.495 1.00 0.00 C ATOM 998 NH1 ARG A 67 -8.847 -6.458 12.645 1.00 0.00 N ATOM 999 NH2 ARG A 67 -6.964 -5.521 13.563 1.00 0.00 N ATOM 0 H ARG A 67 -7.255 -4.482 6.122 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.759 -6.795 6.669 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.510 -5.769 7.350 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.090 -7.418 7.767 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.060 -6.509 8.986 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.674 -4.894 8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.740 -5.411 9.923 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.232 -7.075 10.136 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.252 -5.239 11.197 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.384 -6.741 11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.223 -6.615 13.580 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.050 -5.082 13.451 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.342 -5.679 14.497 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.714 -8.763 5.456 1.00 0.00 N ATOM 1014 CA GLY A 68 -7.134 -9.840 4.579 1.00 0.00 C ATOM 1015 C GLY A 68 -6.731 -9.602 3.137 1.00 0.00 C ATOM 1016 O GLY A 68 -7.580 -9.348 2.281 1.00 0.00 O ATOM 0 H GLY A 68 -5.972 -9.009 6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.699 -10.777 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.217 -9.951 4.637 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.434 -9.684 2.865 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.919 -9.474 1.516 1.00 0.00 C ATOM 1022 C LEU A 69 -5.385 -10.583 0.578 1.00 0.00 C ATOM 1023 O LEU A 69 -5.800 -11.652 1.023 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.391 -9.415 1.535 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.776 -8.029 1.734 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.262 -8.127 1.841 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -3.173 -7.100 0.596 1.00 0.00 C ATOM 0 H LEU A 69 -4.719 -9.895 3.561 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.308 -8.524 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.032 -10.068 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.020 -9.824 0.595 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.160 -7.613 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.842 -7.131 1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.997 -8.756 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.860 -8.564 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.726 -6.119 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.819 -7.511 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.258 -7.004 0.566 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.310 -10.320 -0.723 1.00 0.00 N ATOM 1040 CA ALA A 70 -5.720 -11.297 -1.724 1.00 0.00 C ATOM 1041 C ALA A 70 -5.305 -10.856 -3.124 1.00 0.00 C ATOM 1042 O ALA A 70 -5.035 -9.678 -3.360 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.224 -11.518 -1.662 1.00 0.00 C ATOM 0 H ALA A 70 -4.969 -9.439 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.217 -12.238 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.516 -12.250 -2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.497 -11.886 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.738 -10.576 -1.853 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.256 -11.809 -4.049 1.00 0.00 N ATOM 1050 CA VAL A 71 -4.874 -11.518 -5.426 1.00 0.00 C ATOM 1051 C VAL A 71 -5.656 -10.330 -5.974 1.00 0.00 C ATOM 1052 O VAL A 71 -5.092 -9.444 -6.616 1.00 0.00 O ATOM 1053 CB VAL A 71 -5.103 -12.735 -6.341 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.856 -12.365 -7.796 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -4.213 -13.894 -5.919 1.00 0.00 C ATOM 0 H VAL A 71 -5.476 -12.789 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.811 -11.276 -5.415 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.142 -13.050 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.023 -13.238 -8.427 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.540 -11.569 -8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.828 -12.023 -7.915 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.388 -14.745 -6.577 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.168 -13.593 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.445 -14.175 -4.892 1.00 0.00 H new ATOM 1065 N VAL A 72 -6.960 -10.316 -5.715 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.820 -9.235 -6.181 1.00 0.00 C ATOM 1067 C VAL A 72 -7.392 -7.897 -5.589 1.00 0.00 C ATOM 1068 O VAL A 72 -7.446 -6.865 -6.257 1.00 0.00 O ATOM 1069 CB VAL A 72 -9.295 -9.496 -5.818 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.808 -10.738 -6.530 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.457 -9.629 -4.311 1.00 0.00 C ATOM 0 H VAL A 72 -7.444 -11.041 -5.185 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.721 -9.197 -7.266 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.889 -8.645 -6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.851 -10.907 -6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.729 -10.598 -7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.213 -11.601 -6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.505 -9.813 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.852 -10.461 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.131 -8.708 -3.827 1.00 0.00 H new ATOM 1081 N ASP A 73 -6.965 -7.923 -4.331 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.525 -6.712 -3.648 1.00 0.00 C ATOM 1083 C ASP A 73 -5.309 -6.108 -4.344 1.00 0.00 C ATOM 1084 O ASP A 73 -5.133 -4.890 -4.361 1.00 0.00 O ATOM 1085 CB ASP A 73 -6.192 -7.017 -2.187 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.428 -7.060 -1.309 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -8.229 -8.005 -1.459 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -7.593 -6.147 -0.472 1.00 0.00 O ATOM 0 H ASP A 73 -6.914 -8.769 -3.764 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.339 -5.988 -3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.674 -7.974 -2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.506 -6.259 -1.808 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.472 -6.967 -4.915 1.00 0.00 N ATOM 1094 CA ALA A 74 -3.273 -6.518 -5.612 1.00 0.00 C ATOM 1095 C ALA A 74 -3.631 -5.708 -6.853 1.00 0.00 C ATOM 1096 O ALA A 74 -3.947 -6.267 -7.903 1.00 0.00 O ATOM 1097 CB ALA A 74 -2.405 -7.709 -5.990 1.00 0.00 C ATOM 0 H ALA A 74 -4.602 -7.979 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.711 -5.872 -4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.513 -7.359 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.112 -8.246 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.967 -8.376 -6.643 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.581 -4.385 -6.726 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.903 -3.519 -7.845 1.00 0.00 C ATOM 1105 C GLY A 75 -3.338 -2.122 -7.678 1.00 0.00 C ATOM 1106 O GLY A 75 -2.349 -1.927 -6.973 1.00 0.00 O ATOM 0 H GLY A 75 -3.323 -3.898 -5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.514 -3.958 -8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.986 -3.459 -7.954 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.967 -1.150 -8.331 1.00 0.00 N ATOM 1111 CA GLU A 76 -3.518 0.236 -8.254 1.00 0.00 C ATOM 1112 C GLU A 76 -4.302 1.003 -7.193 1.00 0.00 C ATOM 1113 O GLU A 76 -5.533 0.979 -7.177 1.00 0.00 O ATOM 1114 CB GLU A 76 -3.671 0.922 -9.613 1.00 0.00 C ATOM 1115 CG GLU A 76 -2.926 2.242 -9.716 1.00 0.00 C ATOM 1116 CD GLU A 76 -1.508 2.073 -10.226 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -1.294 1.221 -11.114 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -0.612 2.793 -9.738 1.00 0.00 O ATOM 0 H GLU A 76 -4.788 -1.296 -8.919 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.465 0.235 -7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.312 0.250 -10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.730 1.096 -9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.470 2.911 -10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.901 2.719 -8.736 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.580 1.682 -6.308 1.00 0.00 N ATOM 1126 CA TYR A 77 -4.207 2.454 -5.242 1.00 0.00 C ATOM 1127 C TYR A 77 -3.904 3.941 -5.396 1.00 0.00 C ATOM 1128 O TYR A 77 -2.744 4.348 -5.454 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.723 1.963 -3.876 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.256 0.599 -3.500 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -3.705 -0.557 -4.040 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -5.310 0.466 -2.604 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -4.189 -1.805 -3.699 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -5.800 -0.778 -2.257 1.00 0.00 C ATOM 1135 CZ TYR A 77 -5.237 -1.911 -2.808 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.721 -3.152 -2.465 1.00 0.00 O ATOM 0 H TYR A 77 -2.560 1.713 -6.308 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.285 2.312 -5.311 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.633 1.931 -3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.021 2.683 -3.114 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.885 -0.478 -4.738 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.754 1.351 -2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.749 -2.693 -4.128 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.619 -0.863 -1.558 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.720 -3.733 -3.254 1.00 0.00 H new ATOM 1146 N SER A 78 -4.958 4.749 -5.462 1.00 0.00 N ATOM 1147 CA SER A 78 -4.807 6.192 -5.612 1.00 0.00 C ATOM 1148 C SER A 78 -5.135 6.912 -4.308 1.00 0.00 C ATOM 1149 O SER A 78 -6.114 6.585 -3.635 1.00 0.00 O ATOM 1150 CB SER A 78 -5.712 6.706 -6.733 1.00 0.00 C ATOM 1151 OG SER A 78 -5.505 5.977 -7.931 1.00 0.00 O ATOM 0 H SER A 78 -5.925 4.429 -5.414 1.00 0.00 H new ATOM 0 HA SER A 78 -3.768 6.399 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.755 6.623 -6.429 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.514 7.763 -6.908 1.00 0.00 H new ATOM 0 HG SER A 78 -6.096 6.324 -8.631 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.310 7.892 -3.956 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.511 8.658 -2.732 1.00 0.00 C ATOM 1159 C CYS A 79 -4.711 10.138 -3.043 1.00 0.00 C ATOM 1160 O CYS A 79 -3.778 10.829 -3.454 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.318 8.480 -1.792 1.00 0.00 C ATOM 1162 SG CYS A 79 -3.696 8.791 -0.052 1.00 0.00 S ATOM 0 H CYS A 79 -3.496 8.175 -4.501 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.410 8.283 -2.242 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.937 7.464 -1.894 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.519 9.152 -2.105 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.970 7.667 0.540 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.935 10.618 -2.847 1.00 0.00 N ATOM 1169 CA VAL A 80 -6.259 12.016 -3.108 1.00 0.00 C ATOM 1170 C VAL A 80 -6.321 12.816 -1.812 1.00 0.00 C ATOM 1171 O VAL A 80 -7.009 12.432 -0.865 1.00 0.00 O ATOM 1172 CB VAL A 80 -7.603 12.152 -3.847 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -7.739 13.540 -4.456 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -7.734 11.077 -4.916 1.00 0.00 C ATOM 0 H VAL A 80 -6.719 10.060 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.464 12.413 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.410 12.016 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.695 13.618 -4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.692 14.290 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.928 13.708 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.690 11.188 -5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.922 11.179 -5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.684 10.093 -4.450 1.00 0.00 H new ATOM 1184 N CYS A 81 -5.598 13.930 -1.776 1.00 0.00 N ATOM 1185 CA CYS A 81 -5.570 14.786 -0.595 1.00 0.00 C ATOM 1186 C CYS A 81 -6.290 16.104 -0.862 1.00 0.00 C ATOM 1187 O CYS A 81 -7.175 16.503 -0.107 1.00 0.00 O ATOM 1188 CB CYS A 81 -4.126 15.057 -0.170 1.00 0.00 C ATOM 1189 SG CYS A 81 -3.970 16.176 1.242 1.00 0.00 S ATOM 0 H CYS A 81 -5.023 14.262 -2.551 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.087 14.267 0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.647 14.109 0.076 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.583 15.478 -1.016 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.628 17.358 0.823 1.00 0.00 H new ATOM 1195 N GLY A 82 -5.902 16.776 -1.942 1.00 0.00 N ATOM 1196 CA GLY A 82 -6.520 18.043 -2.288 1.00 0.00 C ATOM 1197 C GLY A 82 -6.711 18.206 -3.783 1.00 0.00 C ATOM 1198 O GLY A 82 -7.786 17.923 -4.311 1.00 0.00 O ATOM 0 H GLY A 82 -5.172 16.466 -2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.487 18.120 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.903 18.859 -1.913 1.00 0.00 H new ATOM 1202 N GLN A 83 -5.667 18.663 -4.465 1.00 0.00 N ATOM 1203 CA GLN A 83 -5.727 18.865 -5.908 1.00 0.00 C ATOM 1204 C GLN A 83 -4.924 17.795 -6.641 1.00 0.00 C ATOM 1205 O GLN A 83 -5.278 17.391 -7.748 1.00 0.00 O ATOM 1206 CB GLN A 83 -5.200 20.254 -6.272 1.00 0.00 C ATOM 1207 CG GLN A 83 -6.276 21.328 -6.291 1.00 0.00 C ATOM 1208 CD GLN A 83 -5.735 22.690 -6.679 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -4.535 22.854 -6.901 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -6.620 23.676 -6.762 1.00 0.00 N ATOM 0 H GLN A 83 -4.770 18.900 -4.042 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.769 18.787 -6.218 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.427 20.539 -5.558 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.727 20.208 -7.253 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.059 21.040 -6.992 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.737 21.392 -5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.605 23.495 -6.569 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.315 24.615 -7.018 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.842 17.342 -6.016 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.989 16.320 -6.610 1.00 0.00 C ATOM 1221 C GLU A 84 -3.515 14.922 -6.298 1.00 0.00 C ATOM 1222 O GLU A 84 -4.303 14.737 -5.369 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.553 16.462 -6.100 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.694 17.384 -6.949 1.00 0.00 C ATOM 1225 CD GLU A 84 -0.345 16.780 -8.295 1.00 0.00 C ATOM 1226 OE1 GLU A 84 -1.275 16.499 -9.079 1.00 0.00 O ATOM 1227 OE2 GLU A 84 0.860 16.590 -8.565 1.00 0.00 O ATOM 0 H GLU A 84 -3.536 17.667 -5.099 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.999 16.460 -7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.575 16.839 -5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.089 15.476 -6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.221 18.326 -7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.224 17.617 -6.410 1.00 0.00 H new ATOM 1234 N ARG A 85 -3.076 13.942 -7.080 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.503 12.561 -6.888 1.00 0.00 C ATOM 1236 C ARG A 85 -2.391 11.589 -7.271 1.00 0.00 C ATOM 1237 O ARG A 85 -2.035 11.466 -8.444 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.755 12.273 -7.719 1.00 0.00 C ATOM 1239 CG ARG A 85 -5.129 10.801 -7.767 1.00 0.00 C ATOM 1240 CD ARG A 85 -6.351 10.564 -8.641 1.00 0.00 C ATOM 1241 NE ARG A 85 -6.016 10.564 -10.063 1.00 0.00 N ATOM 1242 CZ ARG A 85 -5.983 11.662 -10.810 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -6.264 12.841 -10.274 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -5.669 11.581 -12.097 1.00 0.00 N ATOM 0 H ARG A 85 -2.425 14.078 -7.853 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.735 12.422 -5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.591 12.838 -7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.596 12.632 -8.736 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.288 10.223 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.328 10.442 -6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.807 9.610 -8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.093 11.337 -8.444 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.795 9.672 -10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.506 12.907 -9.285 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.238 13.682 -10.850 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.453 10.675 -12.513 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.644 12.425 -12.670 1.00 0.00 H new ATOM 1258 N THR A 86 -1.845 10.900 -6.274 1.00 0.00 N ATOM 1259 CA THR A 86 -0.773 9.941 -6.505 1.00 0.00 C ATOM 1260 C THR A 86 -1.323 8.528 -6.658 1.00 0.00 C ATOM 1261 O THR A 86 -2.462 8.251 -6.285 1.00 0.00 O ATOM 1262 CB THR A 86 0.254 9.959 -5.357 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.383 9.146 -5.697 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.370 9.453 -4.065 1.00 0.00 C ATOM 0 H THR A 86 -2.128 10.989 -5.298 1.00 0.00 H new ATOM 0 HA THR A 86 -0.278 10.237 -7.430 1.00 0.00 H new ATOM 0 HB THR A 86 0.580 10.988 -5.206 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.032 9.164 -4.963 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.374 9.475 -3.269 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.211 10.091 -3.793 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.720 8.431 -4.206 1.00 0.00 H new ATOM 1272 N SER A 87 -0.506 7.636 -7.210 1.00 0.00 N ATOM 1273 CA SER A 87 -0.912 6.251 -7.415 1.00 0.00 C ATOM 1274 C SER A 87 0.240 5.297 -7.117 1.00 0.00 C ATOM 1275 O SER A 87 1.409 5.662 -7.232 1.00 0.00 O ATOM 1276 CB SER A 87 -1.399 6.048 -8.852 1.00 0.00 C ATOM 1277 OG SER A 87 -2.381 7.008 -9.198 1.00 0.00 O ATOM 0 H SER A 87 0.441 7.848 -7.523 1.00 0.00 H new ATOM 0 HA SER A 87 -1.729 6.032 -6.727 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.556 6.122 -9.539 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.812 5.045 -8.961 1.00 0.00 H new ATOM 0 HG SER A 87 -2.675 6.858 -10.121 1.00 0.00 H new ATOM 1283 N ALA A 88 -0.100 4.071 -6.732 1.00 0.00 N ATOM 1284 CA ALA A 88 0.904 3.062 -6.418 1.00 0.00 C ATOM 1285 C ALA A 88 0.349 1.655 -6.613 1.00 0.00 C ATOM 1286 O ALA A 88 -0.735 1.331 -6.127 1.00 0.00 O ATOM 1287 CB ALA A 88 1.406 3.242 -4.993 1.00 0.00 C ATOM 0 H ALA A 88 -1.064 3.753 -6.630 1.00 0.00 H new ATOM 0 HA ALA A 88 1.741 3.192 -7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.155 2.482 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.851 4.231 -4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.572 3.142 -4.298 1.00 0.00 H new ATOM 1293 N THR A 89 1.099 0.821 -7.327 1.00 0.00 N ATOM 1294 CA THR A 89 0.681 -0.550 -7.587 1.00 0.00 C ATOM 1295 C THR A 89 0.896 -1.432 -6.362 1.00 0.00 C ATOM 1296 O THR A 89 1.733 -1.134 -5.509 1.00 0.00 O ATOM 1297 CB THR A 89 1.446 -1.154 -8.780 1.00 0.00 C ATOM 1298 OG1 THR A 89 1.491 -0.213 -9.859 1.00 0.00 O ATOM 1299 CG2 THR A 89 0.786 -2.441 -9.250 1.00 0.00 C ATOM 0 H THR A 89 1.999 1.072 -7.735 1.00 0.00 H new ATOM 0 HA THR A 89 -0.382 -0.516 -7.826 1.00 0.00 H new ATOM 0 HB THR A 89 2.461 -1.383 -8.455 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.980 -0.603 -10.613 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.344 -2.849 -10.093 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.779 -3.165 -8.435 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.238 -2.233 -9.559 1.00 0.00 H new ATOM 1307 N LEU A 90 0.137 -2.519 -6.281 1.00 0.00 N ATOM 1308 CA LEU A 90 0.244 -3.446 -5.160 1.00 0.00 C ATOM 1309 C LEU A 90 0.581 -4.852 -5.646 1.00 0.00 C ATOM 1310 O LEU A 90 0.035 -5.324 -6.644 1.00 0.00 O ATOM 1311 CB LEU A 90 -1.062 -3.469 -4.364 1.00 0.00 C ATOM 1312 CG LEU A 90 -0.946 -3.878 -2.895 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -0.644 -5.364 -2.778 1.00 0.00 C ATOM 1314 CD2 LEU A 90 0.128 -3.057 -2.196 1.00 0.00 C ATOM 0 H LEU A 90 -0.560 -2.780 -6.979 1.00 0.00 H new ATOM 0 HA LEU A 90 1.051 -3.102 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.509 -2.476 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.753 -4.153 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.900 -3.682 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.565 -5.637 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.447 -5.936 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.297 -5.585 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.197 -3.362 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.088 -3.221 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.130 -1.999 -2.249 1.00 0.00 H new ATOM 1326 N THR A 91 1.483 -5.519 -4.933 1.00 0.00 N ATOM 1327 CA THR A 91 1.892 -6.871 -5.291 1.00 0.00 C ATOM 1328 C THR A 91 1.478 -7.873 -4.218 1.00 0.00 C ATOM 1329 O THR A 91 1.977 -7.834 -3.093 1.00 0.00 O ATOM 1330 CB THR A 91 3.416 -6.961 -5.500 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.833 -6.002 -6.478 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.820 -8.358 -5.946 1.00 0.00 C ATOM 0 H THR A 91 1.944 -5.144 -4.104 1.00 0.00 H new ATOM 0 HA THR A 91 1.389 -7.115 -6.227 1.00 0.00 H new ATOM 0 HB THR A 91 3.905 -6.746 -4.550 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.803 -6.064 -6.604 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.900 -8.397 -6.087 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.527 -9.082 -5.185 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.323 -8.598 -6.886 1.00 0.00 H new ATOM 1340 N VAL A 92 0.564 -8.770 -4.574 1.00 0.00 N ATOM 1341 CA VAL A 92 0.084 -9.783 -3.642 1.00 0.00 C ATOM 1342 C VAL A 92 0.490 -11.182 -4.094 1.00 0.00 C ATOM 1343 O VAL A 92 -0.136 -11.765 -4.979 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.448 -9.728 -3.493 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -1.917 -10.710 -2.430 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.900 -8.314 -3.161 1.00 0.00 C ATOM 0 H VAL A 92 0.141 -8.816 -5.501 1.00 0.00 H new ATOM 0 HA VAL A 92 0.543 -9.568 -2.677 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.899 -10.016 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.002 -10.657 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.626 -11.721 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.460 -10.457 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.985 -8.293 -3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.442 -7.996 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.598 -7.638 -3.961 1.00 0.00 H new ATOM 1356 N ARG A 93 1.542 -11.714 -3.481 1.00 0.00 N ATOM 1357 CA ARG A 93 2.032 -13.044 -3.821 1.00 0.00 C ATOM 1358 C ARG A 93 1.101 -14.123 -3.275 1.00 0.00 C ATOM 1359 O ARG A 93 1.054 -14.365 -2.070 1.00 0.00 O ATOM 1360 CB ARG A 93 3.444 -13.247 -3.268 1.00 0.00 C ATOM 1361 CG ARG A 93 4.450 -12.227 -3.775 1.00 0.00 C ATOM 1362 CD ARG A 93 5.620 -12.074 -2.817 1.00 0.00 C ATOM 1363 NE ARG A 93 6.467 -13.264 -2.793 1.00 0.00 N ATOM 1364 CZ ARG A 93 7.429 -13.499 -3.679 1.00 0.00 C ATOM 1365 NH1 ARG A 93 7.666 -12.630 -4.652 1.00 0.00 N ATOM 1366 NH2 ARG A 93 8.158 -14.604 -3.591 1.00 0.00 N ATOM 0 H ARG A 93 2.071 -11.244 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 93 2.059 -13.127 -4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.409 -13.200 -2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.788 -14.247 -3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.818 -12.533 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.958 -11.263 -3.906 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.217 -11.210 -3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.243 -11.877 -1.813 1.00 0.00 H new ATOM 0 HE ARG A 93 6.311 -13.952 -2.056 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.109 -11.778 -4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.405 -12.813 -5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.980 -15.274 -2.843 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.896 -14.784 -4.272 1.00 0.00 H new ATOM 1380 N ALA A 94 0.360 -14.766 -4.172 1.00 0.00 N ATOM 1381 CA ALA A 94 -0.568 -15.819 -3.781 1.00 0.00 C ATOM 1382 C ALA A 94 0.153 -16.940 -3.039 1.00 0.00 C ATOM 1383 O ALA A 94 1.089 -17.544 -3.565 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.287 -16.370 -5.004 1.00 0.00 C ATOM 0 H ALA A 94 0.385 -14.576 -5.174 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.305 -15.386 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.977 -17.156 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.843 -15.569 -5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.557 -16.781 -5.701 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.288 -17.213 -1.816 1.00 0.00 N ATOM 1391 CA LEU A 95 0.316 -18.261 -1.001 1.00 0.00 C ATOM 1392 C LEU A 95 0.311 -19.596 -1.740 1.00 0.00 C ATOM 1393 O LEU A 95 -0.610 -19.913 -2.493 1.00 0.00 O ATOM 1394 CB LEU A 95 -0.431 -18.397 0.326 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.165 -17.303 1.361 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.225 -17.330 2.451 1.00 0.00 C ATOM 1397 CD2 LEU A 95 1.224 -17.464 1.962 1.00 0.00 C ATOM 0 H LEU A 95 -1.062 -16.723 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 95 1.350 -17.981 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.501 -18.420 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.172 -19.359 0.769 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.213 -16.336 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.019 -16.545 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.207 -17.166 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.210 -18.299 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.396 -16.677 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.300 -18.437 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.972 -17.394 1.173 1.00 0.00 H new