USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.85) USER MOD Single : A 22 GLN : amide:sc= -0.201 K(o=-0.2,f=-2!) USER MOD Single : A 30 GLN : amide:sc= -5.07! K(o=-5.1!,f=-2) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -130:sc= -1.71! USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00387 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -168:sc= -0.384 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -159:sc= 1.18 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 149:sc= -2.25! (180deg=-5.68!) USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 10 2.065 -13.206 -5.863 1.00 0.00 N ATOM 88 CA LEU A 10 3.023 -12.201 -6.308 1.00 0.00 C ATOM 89 C LEU A 10 4.450 -12.619 -5.967 1.00 0.00 C ATOM 90 O LEU A 10 4.714 -13.130 -4.878 1.00 0.00 O ATOM 91 CB LEU A 10 2.709 -10.848 -5.666 1.00 0.00 C ATOM 92 CG LEU A 10 1.528 -10.081 -6.262 1.00 0.00 C ATOM 93 CD1 LEU A 10 1.219 -8.847 -5.429 1.00 0.00 C ATOM 94 CD2 LEU A 10 1.816 -9.695 -7.705 1.00 0.00 C ATOM 0 HA LEU A 10 2.939 -12.111 -7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.515 -11.008 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.597 -10.220 -5.736 1.00 0.00 H new ATOM 0 HG LEU A 10 0.653 -10.731 -6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.376 -8.313 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.968 -9.148 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.091 -8.194 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.965 -9.150 -8.113 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.703 -9.063 -7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.987 -10.595 -8.295 1.00 0.00 H new ATOM 106 N SER A 11 5.367 -12.397 -6.903 1.00 0.00 N ATOM 107 CA SER A 11 6.766 -12.752 -6.702 1.00 0.00 C ATOM 108 C SER A 11 7.460 -11.738 -5.797 1.00 0.00 C ATOM 109 O SER A 11 8.551 -11.257 -6.105 1.00 0.00 O ATOM 110 CB SER A 11 7.492 -12.833 -8.047 1.00 0.00 C ATOM 111 OG SER A 11 7.434 -11.594 -8.733 1.00 0.00 O ATOM 0 H SER A 11 5.166 -11.973 -7.808 1.00 0.00 H new ATOM 0 HA SER A 11 6.801 -13.728 -6.218 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.533 -13.115 -7.886 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.042 -13.613 -8.660 1.00 0.00 H new ATOM 0 HG SER A 11 7.906 -11.671 -9.588 1.00 0.00 H new ATOM 117 N LEU A 12 6.818 -11.418 -4.679 1.00 0.00 N ATOM 118 CA LEU A 12 7.372 -10.461 -3.727 1.00 0.00 C ATOM 119 C LEU A 12 7.528 -11.094 -2.347 1.00 0.00 C ATOM 120 O LEU A 12 7.190 -12.259 -2.146 1.00 0.00 O ATOM 121 CB LEU A 12 6.475 -9.226 -3.635 1.00 0.00 C ATOM 122 CG LEU A 12 6.359 -8.384 -4.907 1.00 0.00 C ATOM 123 CD1 LEU A 12 5.008 -7.690 -4.966 1.00 0.00 C ATOM 124 CD2 LEU A 12 7.488 -7.366 -4.976 1.00 0.00 C ATOM 0 H LEU A 12 5.914 -11.807 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 12 8.358 -10.161 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.475 -9.549 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.850 -8.588 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 12 6.441 -9.047 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.944 -7.096 -5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.215 -8.437 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.896 -7.038 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.390 -6.776 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.437 -6.707 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.446 -7.885 -4.981 1.00 0.00 H new ATOM 136 N GLY A 13 8.041 -10.315 -1.399 1.00 0.00 N ATOM 137 CA GLY A 13 8.231 -10.816 -0.050 1.00 0.00 C ATOM 138 C GLY A 13 7.353 -10.105 0.961 1.00 0.00 C ATOM 139 O GLY A 13 7.155 -8.893 0.877 1.00 0.00 O ATOM 0 H GLY A 13 8.328 -9.347 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.014 -11.884 -0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.277 -10.698 0.234 1.00 0.00 H new ATOM 143 N ASP A 14 6.825 -10.860 1.917 1.00 0.00 N ATOM 144 CA ASP A 14 5.963 -10.295 2.949 1.00 0.00 C ATOM 145 C ASP A 14 6.416 -8.888 3.326 1.00 0.00 C ATOM 146 O ASP A 14 5.622 -7.947 3.327 1.00 0.00 O ATOM 147 CB ASP A 14 5.958 -11.192 4.188 1.00 0.00 C ATOM 148 CG ASP A 14 5.931 -12.666 3.835 1.00 0.00 C ATOM 149 OD1 ASP A 14 6.985 -13.199 3.428 1.00 0.00 O ATOM 150 OD2 ASP A 14 4.856 -13.288 3.967 1.00 0.00 O ATOM 0 H ASP A 14 6.978 -11.865 1.999 1.00 0.00 H new ATOM 0 HA ASP A 14 4.951 -10.236 2.549 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.843 -10.981 4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.090 -10.953 4.803 1.00 0.00 H new ATOM 155 N THR A 15 7.699 -8.752 3.647 1.00 0.00 N ATOM 156 CA THR A 15 8.258 -7.461 4.028 1.00 0.00 C ATOM 157 C THR A 15 7.915 -6.388 3.001 1.00 0.00 C ATOM 158 O THR A 15 7.312 -5.368 3.334 1.00 0.00 O ATOM 159 CB THR A 15 9.789 -7.536 4.183 1.00 0.00 C ATOM 160 OG1 THR A 15 10.138 -8.567 5.112 1.00 0.00 O ATOM 161 CG2 THR A 15 10.350 -6.205 4.660 1.00 0.00 C ATOM 0 H THR A 15 8.370 -9.520 3.651 1.00 0.00 H new ATOM 0 HA THR A 15 7.815 -7.196 4.988 1.00 0.00 H new ATOM 0 HB THR A 15 10.220 -7.766 3.208 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.113 -8.609 5.203 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.432 -6.282 4.762 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.108 -5.428 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.912 -5.950 5.625 1.00 0.00 H new ATOM 169 N ALA A 16 8.301 -6.625 1.752 1.00 0.00 N ATOM 170 CA ALA A 16 8.031 -5.680 0.676 1.00 0.00 C ATOM 171 C ALA A 16 6.616 -5.121 0.779 1.00 0.00 C ATOM 172 O ALA A 16 6.416 -3.905 0.780 1.00 0.00 O ATOM 173 CB ALA A 16 8.240 -6.345 -0.676 1.00 0.00 C ATOM 0 H ALA A 16 8.802 -7.464 1.460 1.00 0.00 H new ATOM 0 HA ALA A 16 8.730 -4.849 0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.035 -5.627 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.271 -6.690 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.564 -7.195 -0.772 1.00 0.00 H new ATOM 179 N LEU A 17 5.637 -6.014 0.865 1.00 0.00 N ATOM 180 CA LEU A 17 4.239 -5.609 0.968 1.00 0.00 C ATOM 181 C LEU A 17 4.021 -4.707 2.179 1.00 0.00 C ATOM 182 O LEU A 17 3.613 -3.554 2.039 1.00 0.00 O ATOM 183 CB LEU A 17 3.337 -6.841 1.067 1.00 0.00 C ATOM 184 CG LEU A 17 3.162 -7.649 -0.219 1.00 0.00 C ATOM 185 CD1 LEU A 17 2.538 -9.003 0.082 1.00 0.00 C ATOM 186 CD2 LEU A 17 2.314 -6.880 -1.221 1.00 0.00 C ATOM 0 H LEU A 17 5.785 -7.023 0.866 1.00 0.00 H new ATOM 0 HA LEU A 17 3.982 -5.048 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.740 -7.501 1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.353 -6.520 1.407 1.00 0.00 H new ATOM 0 HG LEU A 17 4.146 -7.815 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.421 -9.564 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.184 -9.558 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.562 -8.859 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.200 -7.470 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.332 -6.683 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.802 -5.935 -1.461 1.00 0.00 H new ATOM 198 N GLN A 18 4.298 -5.239 3.365 1.00 0.00 N ATOM 199 CA GLN A 18 4.134 -4.481 4.599 1.00 0.00 C ATOM 200 C GLN A 18 4.650 -3.055 4.435 1.00 0.00 C ATOM 201 O GLN A 18 3.984 -2.095 4.821 1.00 0.00 O ATOM 202 CB GLN A 18 4.868 -5.172 5.749 1.00 0.00 C ATOM 203 CG GLN A 18 4.026 -6.213 6.470 1.00 0.00 C ATOM 204 CD GLN A 18 4.419 -6.375 7.925 1.00 0.00 C ATOM 205 OE1 GLN A 18 3.659 -6.023 8.828 1.00 0.00 O ATOM 206 NE2 GLN A 18 5.610 -6.911 8.161 1.00 0.00 N ATOM 0 H GLN A 18 4.637 -6.192 3.497 1.00 0.00 H new ATOM 0 HA GLN A 18 3.070 -4.439 4.830 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.767 -5.650 5.360 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.192 -4.419 6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.975 -5.929 6.411 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.127 -7.172 5.961 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.208 -7.189 7.382 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.928 -7.045 9.121 1.00 0.00 H new ATOM 215 N ASN A 19 5.841 -2.925 3.859 1.00 0.00 N ATOM 216 CA ASN A 19 6.447 -1.615 3.645 1.00 0.00 C ATOM 217 C ASN A 19 5.560 -0.744 2.761 1.00 0.00 C ATOM 218 O ASN A 19 5.050 0.288 3.200 1.00 0.00 O ATOM 219 CB ASN A 19 7.829 -1.769 3.006 1.00 0.00 C ATOM 220 CG ASN A 19 8.907 -2.075 4.027 1.00 0.00 C ATOM 221 OD1 ASN A 19 9.168 -1.278 4.928 1.00 0.00 O ATOM 222 ND2 ASN A 19 9.539 -3.235 3.891 1.00 0.00 N ATOM 0 H ASN A 19 6.405 -3.710 3.532 1.00 0.00 H new ATOM 0 HA ASN A 19 6.554 -1.128 4.614 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.797 -2.568 2.265 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.085 -0.852 2.475 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.274 -3.496 4.549 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.290 -3.865 3.129 1.00 0.00 H new ATOM 229 N LEU A 20 5.379 -1.165 1.514 1.00 0.00 N ATOM 230 CA LEU A 20 4.553 -0.423 0.568 1.00 0.00 C ATOM 231 C LEU A 20 3.271 0.068 1.233 1.00 0.00 C ATOM 232 O LEU A 20 2.960 1.258 1.200 1.00 0.00 O ATOM 233 CB LEU A 20 4.212 -1.300 -0.638 1.00 0.00 C ATOM 234 CG LEU A 20 4.007 -0.568 -1.964 1.00 0.00 C ATOM 235 CD1 LEU A 20 2.777 0.323 -1.898 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.241 0.250 -2.318 1.00 0.00 C ATOM 0 H LEU A 20 5.793 -2.016 1.134 1.00 0.00 H new ATOM 0 HA LEU A 20 5.120 0.444 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.011 -2.030 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.304 -1.859 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 20 3.851 -1.311 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.648 0.836 -2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.897 -0.286 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.903 1.059 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.077 0.764 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.428 0.984 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.102 -0.412 -2.409 1.00 0.00 H new ATOM 248 N GLU A 21 2.532 -0.857 1.838 1.00 0.00 N ATOM 249 CA GLU A 21 1.284 -0.517 2.512 1.00 0.00 C ATOM 250 C GLU A 21 1.443 0.754 3.341 1.00 0.00 C ATOM 251 O GLU A 21 0.616 1.662 3.267 1.00 0.00 O ATOM 252 CB GLU A 21 0.832 -1.671 3.408 1.00 0.00 C ATOM 253 CG GLU A 21 0.469 -2.932 2.642 1.00 0.00 C ATOM 254 CD GLU A 21 0.709 -4.194 3.447 1.00 0.00 C ATOM 255 OE1 GLU A 21 0.476 -4.169 4.674 1.00 0.00 O ATOM 256 OE2 GLU A 21 1.130 -5.207 2.850 1.00 0.00 O ATOM 0 H GLU A 21 2.776 -1.847 1.875 1.00 0.00 H new ATOM 0 HA GLU A 21 0.525 -0.340 1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.628 -1.903 4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.031 -1.350 3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.580 -2.886 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.054 -2.975 1.723 1.00 0.00 H new ATOM 263 N GLN A 22 2.511 0.809 4.130 1.00 0.00 N ATOM 264 CA GLN A 22 2.778 1.968 4.974 1.00 0.00 C ATOM 265 C GLN A 22 3.137 3.186 4.130 1.00 0.00 C ATOM 266 O GLN A 22 2.611 4.279 4.343 1.00 0.00 O ATOM 267 CB GLN A 22 3.911 1.660 5.955 1.00 0.00 C ATOM 268 CG GLN A 22 3.653 0.435 6.818 1.00 0.00 C ATOM 269 CD GLN A 22 4.321 0.527 8.176 1.00 0.00 C ATOM 270 OE1 GLN A 22 4.588 1.620 8.676 1.00 0.00 O ATOM 271 NE2 GLN A 22 4.594 -0.623 8.780 1.00 0.00 N ATOM 0 H GLN A 22 3.205 0.065 4.203 1.00 0.00 H new ATOM 0 HA GLN A 22 1.871 2.193 5.536 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.835 1.512 5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.065 2.524 6.602 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.579 0.310 6.953 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.014 -0.453 6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.355 -1.506 8.328 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.043 -0.624 9.696 1.00 0.00 H new ATOM 280 N LEU A 23 4.035 2.990 3.171 1.00 0.00 N ATOM 281 CA LEU A 23 4.465 4.073 2.293 1.00 0.00 C ATOM 282 C LEU A 23 3.274 4.910 1.836 1.00 0.00 C ATOM 283 O LEU A 23 3.286 6.137 1.942 1.00 0.00 O ATOM 284 CB LEU A 23 5.203 3.509 1.078 1.00 0.00 C ATOM 285 CG LEU A 23 6.709 3.307 1.241 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.204 2.207 0.315 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.454 4.606 0.975 1.00 0.00 C ATOM 0 H LEU A 23 4.479 2.092 2.981 1.00 0.00 H new ATOM 0 HA LEU A 23 5.142 4.716 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.754 2.550 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.036 4.178 0.234 1.00 0.00 H new ATOM 0 HG LEU A 23 6.905 3.003 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.278 2.078 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.695 1.273 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.994 2.480 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.525 4.443 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.250 4.940 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.121 5.367 1.681 1.00 0.00 H new ATOM 299 N LEU A 24 2.246 4.238 1.330 1.00 0.00 N ATOM 300 CA LEU A 24 1.044 4.919 0.858 1.00 0.00 C ATOM 301 C LEU A 24 0.321 5.607 2.011 1.00 0.00 C ATOM 302 O LEU A 24 -0.282 6.666 1.835 1.00 0.00 O ATOM 303 CB LEU A 24 0.106 3.923 0.174 1.00 0.00 C ATOM 304 CG LEU A 24 0.537 3.436 -1.210 1.00 0.00 C ATOM 305 CD1 LEU A 24 -0.123 2.106 -1.537 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.202 4.475 -2.270 1.00 0.00 C ATOM 0 H LEU A 24 2.220 3.223 1.236 1.00 0.00 H new ATOM 0 HA LEU A 24 1.345 5.679 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.006 3.055 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.878 4.384 0.085 1.00 0.00 H new ATOM 0 HG LEU A 24 1.617 3.290 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.195 1.775 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.168 1.363 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.206 2.225 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.516 4.111 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.873 4.654 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.723 5.406 -2.045 1.00 0.00 H new ATOM 318 N ASP A 25 0.388 5.001 3.191 1.00 0.00 N ATOM 319 CA ASP A 25 -0.258 5.557 4.374 1.00 0.00 C ATOM 320 C ASP A 25 0.712 6.433 5.161 1.00 0.00 C ATOM 321 O ASP A 25 1.645 5.935 5.789 1.00 0.00 O ATOM 322 CB ASP A 25 -0.790 4.434 5.267 1.00 0.00 C ATOM 323 CG ASP A 25 -0.982 4.879 6.703 1.00 0.00 C ATOM 324 OD1 ASP A 25 -1.370 6.047 6.917 1.00 0.00 O ATOM 325 OD2 ASP A 25 -0.746 4.058 7.614 1.00 0.00 O ATOM 0 H ASP A 25 0.883 4.124 3.354 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.093 6.175 4.045 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.740 4.077 4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.097 3.593 5.240 1.00 0.00 H new ATOM 330 N GLY A 26 0.484 7.743 5.121 1.00 0.00 N ATOM 331 CA GLY A 26 1.347 8.667 5.833 1.00 0.00 C ATOM 332 C GLY A 26 1.268 10.076 5.280 1.00 0.00 C ATOM 333 O GLY A 26 0.884 10.295 4.131 1.00 0.00 O ATOM 0 H GLY A 26 -0.282 8.180 4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.071 8.678 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.377 8.315 5.776 1.00 0.00 H new ATOM 337 N PRO A 27 1.636 11.064 6.110 1.00 0.00 N ATOM 338 CA PRO A 27 1.613 12.476 5.720 1.00 0.00 C ATOM 339 C PRO A 27 2.686 12.810 4.689 1.00 0.00 C ATOM 340 O PRO A 27 2.406 13.446 3.673 1.00 0.00 O ATOM 341 CB PRO A 27 1.886 13.212 7.034 1.00 0.00 C ATOM 342 CG PRO A 27 2.637 12.232 7.868 1.00 0.00 C ATOM 343 CD PRO A 27 2.104 10.876 7.494 1.00 0.00 C ATOM 0 HA PRO A 27 0.670 12.753 5.249 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.469 14.118 6.867 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.958 13.515 7.518 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.708 12.297 7.677 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.490 12.430 8.930 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.876 10.109 7.557 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.293 10.567 8.154 1.00 0.00 H new ATOM 351 N GLU A 28 3.913 12.377 4.958 1.00 0.00 N ATOM 352 CA GLU A 28 5.028 12.632 4.052 1.00 0.00 C ATOM 353 C GLU A 28 4.761 12.024 2.678 1.00 0.00 C ATOM 354 O GLU A 28 5.085 12.620 1.651 1.00 0.00 O ATOM 355 CB GLU A 28 6.325 12.062 4.631 1.00 0.00 C ATOM 356 CG GLU A 28 7.571 12.801 4.174 1.00 0.00 C ATOM 357 CD GLU A 28 7.810 12.675 2.682 1.00 0.00 C ATOM 358 OE1 GLU A 28 7.896 11.531 2.189 1.00 0.00 O ATOM 359 OE2 GLU A 28 7.910 13.721 2.007 1.00 0.00 O ATOM 0 H GLU A 28 4.161 11.849 5.795 1.00 0.00 H new ATOM 0 HA GLU A 28 5.133 13.711 3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.272 12.094 5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.410 11.013 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.480 13.855 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.437 12.413 4.711 1.00 0.00 H new ATOM 366 N ALA A 29 4.169 10.835 2.668 1.00 0.00 N ATOM 367 CA ALA A 29 3.858 10.147 1.421 1.00 0.00 C ATOM 368 C ALA A 29 3.491 11.140 0.323 1.00 0.00 C ATOM 369 O ALA A 29 2.455 11.801 0.393 1.00 0.00 O ATOM 370 CB ALA A 29 2.727 9.152 1.635 1.00 0.00 C ATOM 0 H ALA A 29 3.895 10.328 3.509 1.00 0.00 H new ATOM 0 HA ALA A 29 4.748 9.605 1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.505 8.646 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.026 8.417 2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.838 9.680 1.981 1.00 0.00 H new ATOM 376 N GLN A 30 4.347 11.239 -0.689 1.00 0.00 N ATOM 377 CA GLN A 30 4.112 12.153 -1.801 1.00 0.00 C ATOM 378 C GLN A 30 3.137 11.548 -2.805 1.00 0.00 C ATOM 379 O GLN A 30 3.329 11.658 -4.016 1.00 0.00 O ATOM 380 CB GLN A 30 5.431 12.495 -2.495 1.00 0.00 C ATOM 381 CG GLN A 30 6.084 11.306 -3.181 1.00 0.00 C ATOM 382 CD GLN A 30 7.044 11.720 -4.279 1.00 0.00 C ATOM 383 OE1 GLN A 30 8.171 12.137 -4.009 1.00 0.00 O ATOM 384 NE2 GLN A 30 6.602 11.607 -5.526 1.00 0.00 N ATOM 0 H GLN A 30 5.209 10.698 -0.762 1.00 0.00 H new ATOM 0 HA GLN A 30 3.673 13.067 -1.401 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.251 13.276 -3.234 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.123 12.905 -1.760 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.620 10.713 -2.440 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.310 10.665 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.661 11.257 -5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.204 11.871 -6.306 1.00 0.00 H new ATOM 393 N GLY A 31 2.089 10.909 -2.295 1.00 0.00 N ATOM 394 CA GLY A 31 1.099 10.295 -3.162 1.00 0.00 C ATOM 395 C GLY A 31 -0.099 9.773 -2.395 1.00 0.00 C ATOM 396 O GLY A 31 -0.544 10.391 -1.428 1.00 0.00 O ATOM 0 H GLY A 31 1.907 10.805 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.764 11.024 -3.900 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.561 9.474 -3.711 1.00 0.00 H new ATOM 400 N SER A 32 -0.624 8.631 -2.827 1.00 0.00 N ATOM 401 CA SER A 32 -1.782 8.027 -2.178 1.00 0.00 C ATOM 402 C SER A 32 -2.102 6.668 -2.792 1.00 0.00 C ATOM 403 O SER A 32 -1.638 6.344 -3.885 1.00 0.00 O ATOM 404 CB SER A 32 -2.996 8.951 -2.293 1.00 0.00 C ATOM 405 OG SER A 32 -4.052 8.512 -1.456 1.00 0.00 O ATOM 0 H SER A 32 -0.266 8.105 -3.624 1.00 0.00 H new ATOM 0 HA SER A 32 -1.543 7.882 -1.124 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.711 9.967 -2.021 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.337 8.982 -3.328 1.00 0.00 H new ATOM 0 HG SER A 32 -4.815 9.120 -1.546 1.00 0.00 H new ATOM 411 N TRP A 33 -2.899 5.878 -2.082 1.00 0.00 N ATOM 412 CA TRP A 33 -3.282 4.553 -2.556 1.00 0.00 C ATOM 413 C TRP A 33 -4.592 4.612 -3.336 1.00 0.00 C ATOM 414 O TRP A 33 -4.735 3.968 -4.375 1.00 0.00 O ATOM 415 CB TRP A 33 -3.419 3.587 -1.379 1.00 0.00 C ATOM 416 CG TRP A 33 -4.544 3.935 -0.452 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.462 4.661 0.701 1.00 0.00 C ATOM 418 CD2 TRP A 33 -5.921 3.569 -0.600 1.00 0.00 C ATOM 419 NE1 TRP A 33 -5.704 4.769 1.279 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.616 4.108 0.499 1.00 0.00 C ATOM 421 CE3 TRP A 33 -6.633 2.840 -1.556 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -7.988 3.939 0.668 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -7.995 2.673 -1.387 1.00 0.00 C ATOM 424 CH2 TRP A 33 -8.661 3.221 -0.283 1.00 0.00 C ATOM 0 H TRP A 33 -3.293 6.132 -1.176 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.499 4.193 -3.223 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.573 2.578 -1.762 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.485 3.576 -0.817 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.554 5.088 1.100 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.913 5.261 2.148 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.129 2.415 -2.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.503 4.360 1.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -8.555 2.110 -2.119 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -9.726 3.074 -0.180 1.00 0.00 H new ATOM 435 N ALA A 34 -5.543 5.388 -2.828 1.00 0.00 N ATOM 436 CA ALA A 34 -6.840 5.532 -3.479 1.00 0.00 C ATOM 437 C ALA A 34 -6.679 5.772 -4.977 1.00 0.00 C ATOM 438 O ALA A 34 -7.217 5.026 -5.794 1.00 0.00 O ATOM 439 CB ALA A 34 -7.626 6.668 -2.843 1.00 0.00 C ATOM 0 H ALA A 34 -5.440 5.927 -1.968 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.392 4.602 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.592 6.764 -3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.781 6.456 -1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.070 7.599 -2.949 1.00 0.00 H new ATOM 445 N GLU A 35 -5.935 6.817 -5.328 1.00 0.00 N ATOM 446 CA GLU A 35 -5.706 7.154 -6.727 1.00 0.00 C ATOM 447 C GLU A 35 -5.050 5.992 -7.467 1.00 0.00 C ATOM 448 O GLU A 35 -5.462 5.631 -8.571 1.00 0.00 O ATOM 449 CB GLU A 35 -4.828 8.403 -6.837 1.00 0.00 C ATOM 450 CG GLU A 35 -4.489 8.785 -8.268 1.00 0.00 C ATOM 451 CD GLU A 35 -5.722 9.044 -9.111 1.00 0.00 C ATOM 452 OE1 GLU A 35 -6.385 10.079 -8.890 1.00 0.00 O ATOM 453 OE2 GLU A 35 -6.024 8.212 -9.992 1.00 0.00 O ATOM 0 H GLU A 35 -5.482 7.443 -4.663 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.673 7.356 -7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.338 9.239 -6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.903 8.236 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.863 9.677 -8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.903 7.987 -8.724 1.00 0.00 H new ATOM 460 N LEU A 36 -4.027 5.409 -6.852 1.00 0.00 N ATOM 461 CA LEU A 36 -3.312 4.287 -7.450 1.00 0.00 C ATOM 462 C LEU A 36 -4.287 3.229 -7.957 1.00 0.00 C ATOM 463 O LEU A 36 -4.234 2.827 -9.119 1.00 0.00 O ATOM 464 CB LEU A 36 -2.352 3.668 -6.434 1.00 0.00 C ATOM 465 CG LEU A 36 -1.813 2.279 -6.780 1.00 0.00 C ATOM 466 CD1 LEU A 36 -0.906 2.347 -7.999 1.00 0.00 C ATOM 467 CD2 LEU A 36 -1.069 1.685 -5.592 1.00 0.00 C ATOM 0 H LEU A 36 -3.674 5.695 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.739 4.663 -8.298 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.506 4.343 -6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.861 3.609 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.657 1.631 -7.016 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.532 1.350 -8.230 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.469 2.730 -8.850 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.066 3.010 -7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.692 0.697 -5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.234 2.332 -5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.748 1.600 -4.743 1.00 0.00 H new ATOM 479 N ALA A 37 -5.178 2.782 -7.077 1.00 0.00 N ATOM 480 CA ALA A 37 -6.167 1.774 -7.436 1.00 0.00 C ATOM 481 C ALA A 37 -6.793 2.078 -8.793 1.00 0.00 C ATOM 482 O ALA A 37 -6.887 1.202 -9.653 1.00 0.00 O ATOM 483 CB ALA A 37 -7.243 1.685 -6.364 1.00 0.00 C ATOM 0 H ALA A 37 -5.234 3.103 -6.110 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.660 0.812 -7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.975 0.928 -6.645 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.787 1.413 -5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.739 2.651 -6.265 1.00 0.00 H new ATOM 489 N GLU A 38 -7.220 3.323 -8.977 1.00 0.00 N ATOM 490 CA GLU A 38 -7.838 3.741 -10.230 1.00 0.00 C ATOM 491 C GLU A 38 -6.914 3.463 -11.412 1.00 0.00 C ATOM 492 O GLU A 38 -7.338 2.916 -12.430 1.00 0.00 O ATOM 493 CB GLU A 38 -8.187 5.230 -10.181 1.00 0.00 C ATOM 494 CG GLU A 38 -9.049 5.614 -8.990 1.00 0.00 C ATOM 495 CD GLU A 38 -9.741 6.950 -9.177 1.00 0.00 C ATOM 496 OE1 GLU A 38 -9.077 7.992 -8.993 1.00 0.00 O ATOM 497 OE2 GLU A 38 -10.945 6.954 -9.507 1.00 0.00 O ATOM 0 H GLU A 38 -7.149 4.060 -8.275 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.754 3.165 -10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.265 5.810 -10.153 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.708 5.503 -11.099 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.799 4.841 -8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.429 5.653 -8.095 1.00 0.00 H new ATOM 504 N ARG A 39 -5.649 3.844 -11.269 1.00 0.00 N ATOM 505 CA ARG A 39 -4.665 3.638 -12.325 1.00 0.00 C ATOM 506 C ARG A 39 -4.649 2.181 -12.777 1.00 0.00 C ATOM 507 O ARG A 39 -4.594 1.890 -13.972 1.00 0.00 O ATOM 508 CB ARG A 39 -3.273 4.048 -11.841 1.00 0.00 C ATOM 509 CG ARG A 39 -3.132 5.540 -11.585 1.00 0.00 C ATOM 510 CD ARG A 39 -1.689 5.997 -11.735 1.00 0.00 C ATOM 511 NE ARG A 39 -1.591 7.439 -11.946 1.00 0.00 N ATOM 512 CZ ARG A 39 -1.952 8.042 -13.074 1.00 0.00 C ATOM 513 NH1 ARG A 39 -2.431 7.333 -14.086 1.00 0.00 N ATOM 514 NH2 ARG A 39 -1.833 9.359 -13.190 1.00 0.00 N ATOM 0 H ARG A 39 -5.281 4.297 -10.432 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.945 4.261 -13.175 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.043 3.507 -10.923 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.535 3.744 -12.584 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.764 6.091 -12.282 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.486 5.773 -10.581 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.127 5.722 -10.842 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.229 5.476 -12.574 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.226 8.014 -11.187 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.524 6.321 -14.001 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.707 7.800 -14.950 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.464 9.908 -12.413 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.110 9.822 -14.056 1.00 0.00 H new ATOM 528 N LEU A 40 -4.697 1.268 -11.813 1.00 0.00 N ATOM 529 CA LEU A 40 -4.688 -0.161 -12.111 1.00 0.00 C ATOM 530 C LEU A 40 -6.065 -0.630 -12.568 1.00 0.00 C ATOM 531 O LEU A 40 -6.181 -1.553 -13.373 1.00 0.00 O ATOM 532 CB LEU A 40 -4.248 -0.955 -10.880 1.00 0.00 C ATOM 533 CG LEU A 40 -2.879 -0.594 -10.302 1.00 0.00 C ATOM 534 CD1 LEU A 40 -2.712 -1.191 -8.913 1.00 0.00 C ATOM 535 CD2 LEU A 40 -1.767 -1.070 -11.226 1.00 0.00 C ATOM 0 H LEU A 40 -4.743 1.491 -10.819 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.979 -0.335 -12.920 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.997 -0.821 -10.099 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.243 -2.014 -11.138 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.816 0.491 -10.219 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.732 -0.924 -8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.488 -0.802 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.796 -2.276 -8.971 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.800 -0.804 -10.799 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.828 -2.152 -11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.876 -0.595 -12.201 1.00 0.00 H new ATOM 547 N GLY A 41 -7.107 0.013 -12.049 1.00 0.00 N ATOM 548 CA GLY A 41 -8.462 -0.351 -12.418 1.00 0.00 C ATOM 549 C GLY A 41 -9.253 -0.902 -11.247 1.00 0.00 C ATOM 550 O GLY A 41 -10.349 -1.435 -11.425 1.00 0.00 O ATOM 0 H GLY A 41 -7.036 0.779 -11.380 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.974 0.524 -12.819 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.431 -1.095 -13.214 1.00 0.00 H new ATOM 554 N LEU A 42 -8.697 -0.774 -10.048 1.00 0.00 N ATOM 555 CA LEU A 42 -9.357 -1.264 -8.842 1.00 0.00 C ATOM 556 C LEU A 42 -10.029 -0.122 -8.087 1.00 0.00 C ATOM 557 O LEU A 42 -9.979 -0.063 -6.858 1.00 0.00 O ATOM 558 CB LEU A 42 -8.346 -1.967 -7.934 1.00 0.00 C ATOM 559 CG LEU A 42 -7.480 -3.039 -8.597 1.00 0.00 C ATOM 560 CD1 LEU A 42 -6.183 -3.228 -7.826 1.00 0.00 C ATOM 561 CD2 LEU A 42 -8.241 -4.353 -8.696 1.00 0.00 C ATOM 0 H LEU A 42 -7.791 -0.335 -9.884 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.125 -1.978 -9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.688 -1.212 -7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.888 -2.426 -7.107 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.234 -2.708 -9.606 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.579 -3.994 -8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.631 -2.289 -7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.408 -3.537 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.610 -5.104 -9.170 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.517 -4.690 -7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.142 -4.208 -9.292 1.00 0.00 H new ATOM 573 N ARG A 43 -10.658 0.783 -8.829 1.00 0.00 N ATOM 574 CA ARG A 43 -11.341 1.922 -8.229 1.00 0.00 C ATOM 575 C ARG A 43 -12.629 1.483 -7.539 1.00 0.00 C ATOM 576 O ARG A 43 -12.900 1.872 -6.403 1.00 0.00 O ATOM 577 CB ARG A 43 -11.654 2.975 -9.294 1.00 0.00 C ATOM 578 CG ARG A 43 -12.724 2.541 -10.283 1.00 0.00 C ATOM 579 CD ARG A 43 -12.796 3.483 -11.475 1.00 0.00 C ATOM 580 NE ARG A 43 -13.737 4.578 -11.251 1.00 0.00 N ATOM 581 CZ ARG A 43 -15.047 4.471 -11.443 1.00 0.00 C ATOM 582 NH1 ARG A 43 -15.568 3.326 -11.859 1.00 0.00 N ATOM 583 NH2 ARG A 43 -15.839 5.512 -11.217 1.00 0.00 N ATOM 0 H ARG A 43 -10.709 0.749 -9.847 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.679 2.357 -7.481 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.977 3.893 -8.802 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.740 3.210 -9.840 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.512 1.530 -10.630 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.692 2.510 -9.783 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.805 3.891 -11.675 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.095 2.924 -12.362 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.368 5.473 -10.930 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.963 2.524 -12.033 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.574 3.247 -12.005 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.442 6.395 -10.896 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.845 5.429 -11.365 1.00 0.00 H new ATOM 597 N SER A 44 -13.419 0.670 -8.234 1.00 0.00 N ATOM 598 CA SER A 44 -14.681 0.182 -7.690 1.00 0.00 C ATOM 599 C SER A 44 -14.479 -0.413 -6.299 1.00 0.00 C ATOM 600 O SER A 44 -15.394 -0.420 -5.475 1.00 0.00 O ATOM 601 CB SER A 44 -15.290 -0.868 -8.622 1.00 0.00 C ATOM 602 OG SER A 44 -15.841 -0.264 -9.779 1.00 0.00 O ATOM 0 H SER A 44 -13.207 0.336 -9.174 1.00 0.00 H new ATOM 0 HA SER A 44 -15.365 1.027 -7.609 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.525 -1.588 -8.913 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.065 -1.423 -8.093 1.00 0.00 H new ATOM 0 HG SER A 44 -16.222 -0.956 -10.359 1.00 0.00 H new ATOM 608 N LEU A 45 -13.274 -0.911 -6.045 1.00 0.00 N ATOM 609 CA LEU A 45 -12.949 -1.508 -4.754 1.00 0.00 C ATOM 610 C LEU A 45 -12.578 -0.435 -3.736 1.00 0.00 C ATOM 611 O LEU A 45 -12.705 -0.639 -2.529 1.00 0.00 O ATOM 612 CB LEU A 45 -11.798 -2.504 -4.906 1.00 0.00 C ATOM 613 CG LEU A 45 -12.102 -3.762 -5.719 1.00 0.00 C ATOM 614 CD1 LEU A 45 -10.813 -4.466 -6.115 1.00 0.00 C ATOM 615 CD2 LEU A 45 -13.004 -4.701 -4.932 1.00 0.00 C ATOM 0 H LEU A 45 -12.506 -0.913 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.832 -2.035 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.958 -1.989 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.474 -2.808 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 45 -12.625 -3.466 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.049 -5.359 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.202 -3.794 -6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.263 -4.749 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.210 -5.591 -5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.508 -4.990 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.941 -4.195 -4.699 1.00 0.00 H new ATOM 627 N VAL A 46 -12.121 0.711 -4.231 1.00 0.00 N ATOM 628 CA VAL A 46 -11.734 1.818 -3.365 1.00 0.00 C ATOM 629 C VAL A 46 -12.632 1.892 -2.135 1.00 0.00 C ATOM 630 O VAL A 46 -12.149 1.947 -1.004 1.00 0.00 O ATOM 631 CB VAL A 46 -11.794 3.163 -4.113 1.00 0.00 C ATOM 632 CG1 VAL A 46 -11.734 4.323 -3.131 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.668 3.257 -5.131 1.00 0.00 C ATOM 0 H VAL A 46 -12.010 0.897 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.707 1.631 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.742 3.220 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.778 5.265 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.578 4.262 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.803 4.274 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.726 4.214 -5.650 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.708 3.179 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.762 2.446 -5.853 1.00 0.00 H new ATOM 643 N ASP A 47 -13.940 1.894 -2.363 1.00 0.00 N ATOM 644 CA ASP A 47 -14.907 1.960 -1.273 1.00 0.00 C ATOM 645 C ASP A 47 -14.694 0.814 -0.288 1.00 0.00 C ATOM 646 O ASP A 47 -14.541 1.034 0.914 1.00 0.00 O ATOM 647 CB ASP A 47 -16.333 1.917 -1.824 1.00 0.00 C ATOM 648 CG ASP A 47 -16.520 2.834 -3.017 1.00 0.00 C ATOM 649 OD1 ASP A 47 -16.037 2.487 -4.115 1.00 0.00 O ATOM 650 OD2 ASP A 47 -17.151 3.899 -2.852 1.00 0.00 O ATOM 0 H ASP A 47 -14.356 1.851 -3.293 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.759 2.902 -0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.577 0.895 -2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.032 2.201 -1.038 1.00 0.00 H new ATOM 655 N THR A 48 -14.687 -0.411 -0.806 1.00 0.00 N ATOM 656 CA THR A 48 -14.496 -1.591 0.028 1.00 0.00 C ATOM 657 C THR A 48 -13.210 -1.489 0.839 1.00 0.00 C ATOM 658 O THR A 48 -13.116 -2.028 1.942 1.00 0.00 O ATOM 659 CB THR A 48 -14.454 -2.876 -0.820 1.00 0.00 C ATOM 660 OG1 THR A 48 -15.615 -2.951 -1.655 1.00 0.00 O ATOM 661 CG2 THR A 48 -14.382 -4.109 0.068 1.00 0.00 C ATOM 0 H THR A 48 -14.811 -0.611 -1.798 1.00 0.00 H new ATOM 0 HA THR A 48 -15.347 -1.640 0.707 1.00 0.00 H new ATOM 0 HB THR A 48 -13.560 -2.844 -1.443 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.579 -3.770 -2.192 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.353 -5.004 -0.554 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.482 -4.064 0.681 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.259 -4.144 0.714 1.00 0.00 H new ATOM 669 N TYR A 49 -12.221 -0.794 0.287 1.00 0.00 N ATOM 670 CA TYR A 49 -10.939 -0.622 0.960 1.00 0.00 C ATOM 671 C TYR A 49 -11.033 0.443 2.048 1.00 0.00 C ATOM 672 O TYR A 49 -10.963 0.138 3.239 1.00 0.00 O ATOM 673 CB TYR A 49 -9.856 -0.241 -0.051 1.00 0.00 C ATOM 674 CG TYR A 49 -9.551 -1.332 -1.052 1.00 0.00 C ATOM 675 CD1 TYR A 49 -9.440 -2.658 -0.652 1.00 0.00 C ATOM 676 CD2 TYR A 49 -9.374 -1.037 -2.398 1.00 0.00 C ATOM 677 CE1 TYR A 49 -9.161 -3.658 -1.563 1.00 0.00 C ATOM 678 CE2 TYR A 49 -9.096 -2.030 -3.317 1.00 0.00 C ATOM 679 CZ TYR A 49 -8.990 -3.339 -2.895 1.00 0.00 C ATOM 680 OH TYR A 49 -8.712 -4.332 -3.806 1.00 0.00 O ATOM 0 H TYR A 49 -12.283 -0.341 -0.625 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.673 -1.570 1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.170 0.655 -0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.942 0.013 0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.574 -2.911 0.389 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.455 -0.013 -2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.077 -4.684 -1.235 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.962 -1.783 -4.360 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.938 -4.072 -4.347 1.00 0.00 H new ATOM 690 N ARG A 50 -11.192 1.694 1.630 1.00 0.00 N ATOM 691 CA ARG A 50 -11.295 2.806 2.568 1.00 0.00 C ATOM 692 C ARG A 50 -12.139 2.419 3.779 1.00 0.00 C ATOM 693 O ARG A 50 -11.973 2.974 4.865 1.00 0.00 O ATOM 694 CB ARG A 50 -11.905 4.028 1.878 1.00 0.00 C ATOM 695 CG ARG A 50 -13.378 3.866 1.541 1.00 0.00 C ATOM 696 CD ARG A 50 -13.909 5.066 0.772 1.00 0.00 C ATOM 697 NE ARG A 50 -14.083 6.233 1.632 1.00 0.00 N ATOM 698 CZ ARG A 50 -13.106 7.085 1.922 1.00 0.00 C ATOM 699 NH1 ARG A 50 -11.891 6.900 1.424 1.00 0.00 N ATOM 700 NH2 ARG A 50 -13.342 8.124 2.712 1.00 0.00 N ATOM 0 H ARG A 50 -11.252 1.963 0.648 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.290 3.054 2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.782 4.898 2.523 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.352 4.231 0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.520 2.962 0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.951 3.739 2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.221 5.311 -0.037 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.863 4.809 0.312 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.006 6.403 2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.705 6.102 0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.143 7.556 1.648 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.275 8.270 3.098 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.591 8.777 2.934 1.00 0.00 H new ATOM 714 N GLN A 51 -13.043 1.465 3.583 1.00 0.00 N ATOM 715 CA GLN A 51 -13.913 1.005 4.659 1.00 0.00 C ATOM 716 C GLN A 51 -13.095 0.471 5.830 1.00 0.00 C ATOM 717 O GLN A 51 -13.043 1.085 6.897 1.00 0.00 O ATOM 718 CB GLN A 51 -14.863 -0.079 4.148 1.00 0.00 C ATOM 719 CG GLN A 51 -16.174 0.466 3.606 1.00 0.00 C ATOM 720 CD GLN A 51 -17.162 -0.630 3.257 1.00 0.00 C ATOM 721 OE1 GLN A 51 -16.861 -1.817 3.385 1.00 0.00 O ATOM 722 NE2 GLN A 51 -18.350 -0.237 2.814 1.00 0.00 N ATOM 0 H GLN A 51 -13.192 0.996 2.690 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.499 1.856 5.007 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.364 -0.647 3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -15.076 -0.775 4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.621 1.130 4.346 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.974 1.066 2.718 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -18.557 0.758 2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -19.056 -0.930 2.564 1.00 0.00 H new ATOM 731 N THR A 52 -12.457 -0.677 5.625 1.00 0.00 N ATOM 732 CA THR A 52 -11.643 -1.295 6.664 1.00 0.00 C ATOM 733 C THR A 52 -10.612 -0.314 7.210 1.00 0.00 C ATOM 734 O THR A 52 -10.472 0.801 6.707 1.00 0.00 O ATOM 735 CB THR A 52 -10.915 -2.546 6.137 1.00 0.00 C ATOM 736 OG1 THR A 52 -10.476 -3.356 7.233 1.00 0.00 O ATOM 737 CG2 THR A 52 -9.721 -2.157 5.278 1.00 0.00 C ATOM 0 H THR A 52 -12.488 -1.198 4.748 1.00 0.00 H new ATOM 0 HA THR A 52 -12.322 -1.589 7.465 1.00 0.00 H new ATOM 0 HB THR A 52 -11.614 -3.114 5.523 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.016 -4.150 6.889 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.223 -3.057 4.918 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.062 -1.566 4.428 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.022 -1.569 5.872 1.00 0.00 H new ATOM 745 N THR A 53 -9.889 -0.736 8.244 1.00 0.00 N ATOM 746 CA THR A 53 -8.871 0.105 8.859 1.00 0.00 C ATOM 747 C THR A 53 -7.546 0.000 8.113 1.00 0.00 C ATOM 748 O THR A 53 -6.883 1.006 7.862 1.00 0.00 O ATOM 749 CB THR A 53 -8.647 -0.273 10.336 1.00 0.00 C ATOM 750 OG1 THR A 53 -7.617 0.546 10.900 1.00 0.00 O ATOM 751 CG2 THR A 53 -8.265 -1.739 10.466 1.00 0.00 C ATOM 0 H THR A 53 -9.991 -1.656 8.672 1.00 0.00 H new ATOM 0 HA THR A 53 -9.235 1.131 8.805 1.00 0.00 H new ATOM 0 HB THR A 53 -9.579 -0.107 10.877 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.482 0.301 11.839 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.112 -1.983 11.517 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.064 -2.360 10.062 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.345 -1.926 9.912 1.00 0.00 H new ATOM 759 N SER A 54 -7.166 -1.224 7.760 1.00 0.00 N ATOM 760 CA SER A 54 -5.918 -1.460 7.044 1.00 0.00 C ATOM 761 C SER A 54 -6.190 -1.876 5.602 1.00 0.00 C ATOM 762 O SER A 54 -6.003 -3.031 5.216 1.00 0.00 O ATOM 763 CB SER A 54 -5.096 -2.539 7.752 1.00 0.00 C ATOM 764 OG SER A 54 -4.616 -2.076 9.002 1.00 0.00 O ATOM 0 H SER A 54 -7.705 -2.067 7.958 1.00 0.00 H new ATOM 0 HA SER A 54 -5.351 -0.529 7.034 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.709 -3.428 7.901 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.256 -2.832 7.122 1.00 0.00 H new ATOM 0 HG SER A 54 -4.095 -2.784 9.435 1.00 0.00 H new ATOM 770 N PRO A 55 -6.641 -0.914 4.784 1.00 0.00 N ATOM 771 CA PRO A 55 -6.948 -1.155 3.371 1.00 0.00 C ATOM 772 C PRO A 55 -5.694 -1.408 2.541 1.00 0.00 C ATOM 773 O PRO A 55 -5.696 -2.241 1.635 1.00 0.00 O ATOM 774 CB PRO A 55 -7.629 0.143 2.929 1.00 0.00 C ATOM 775 CG PRO A 55 -7.107 1.181 3.862 1.00 0.00 C ATOM 776 CD PRO A 55 -6.887 0.484 5.176 1.00 0.00 C ATOM 0 HA PRO A 55 -7.564 -2.044 3.234 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.388 0.384 1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.714 0.063 2.993 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.178 1.610 3.488 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.817 2.001 3.969 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.039 0.905 5.717 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.756 0.572 5.828 1.00 0.00 H new ATOM 784 N SER A 56 -4.625 -0.683 2.856 1.00 0.00 N ATOM 785 CA SER A 56 -3.365 -0.827 2.136 1.00 0.00 C ATOM 786 C SER A 56 -3.131 -2.281 1.735 1.00 0.00 C ATOM 787 O SER A 56 -2.774 -2.572 0.595 1.00 0.00 O ATOM 788 CB SER A 56 -2.202 -0.330 2.997 1.00 0.00 C ATOM 789 OG SER A 56 -2.297 -0.830 4.320 1.00 0.00 O ATOM 0 H SER A 56 -4.606 0.010 3.605 1.00 0.00 H new ATOM 0 HA SER A 56 -3.421 -0.223 1.230 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.257 -0.643 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.199 0.760 3.016 1.00 0.00 H new ATOM 0 HG SER A 56 -1.661 -0.355 4.896 1.00 0.00 H new ATOM 795 N GLY A 57 -3.336 -3.190 2.684 1.00 0.00 N ATOM 796 CA GLY A 57 -3.143 -4.602 2.411 1.00 0.00 C ATOM 797 C GLY A 57 -4.126 -5.135 1.388 1.00 0.00 C ATOM 798 O GLY A 57 -3.730 -5.586 0.313 1.00 0.00 O ATOM 0 H GLY A 57 -3.632 -2.974 3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.127 -4.764 2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.247 -5.166 3.338 1.00 0.00 H new ATOM 802 N SER A 58 -5.411 -5.085 1.722 1.00 0.00 N ATOM 803 CA SER A 58 -6.454 -5.572 0.827 1.00 0.00 C ATOM 804 C SER A 58 -6.242 -5.046 -0.590 1.00 0.00 C ATOM 805 O SER A 58 -6.426 -5.772 -1.568 1.00 0.00 O ATOM 806 CB SER A 58 -7.833 -5.150 1.338 1.00 0.00 C ATOM 807 OG SER A 58 -8.083 -5.682 2.628 1.00 0.00 O ATOM 0 H SER A 58 -5.755 -4.712 2.607 1.00 0.00 H new ATOM 0 HA SER A 58 -6.400 -6.660 0.805 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.895 -4.062 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.602 -5.492 0.645 1.00 0.00 H new ATOM 0 HG SER A 58 -8.969 -5.397 2.933 1.00 0.00 H new ATOM 813 N LEU A 59 -5.854 -3.780 -0.692 1.00 0.00 N ATOM 814 CA LEU A 59 -5.616 -3.155 -1.989 1.00 0.00 C ATOM 815 C LEU A 59 -4.739 -4.040 -2.868 1.00 0.00 C ATOM 816 O LEU A 59 -5.166 -4.498 -3.929 1.00 0.00 O ATOM 817 CB LEU A 59 -4.956 -1.787 -1.804 1.00 0.00 C ATOM 818 CG LEU A 59 -4.343 -1.163 -3.058 1.00 0.00 C ATOM 819 CD1 LEU A 59 -5.422 -0.864 -4.088 1.00 0.00 C ATOM 820 CD2 LEU A 59 -3.576 0.103 -2.704 1.00 0.00 C ATOM 0 H LEU A 59 -5.697 -3.166 0.107 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.579 -3.024 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.701 -1.097 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.174 -1.882 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.644 -1.878 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.967 -0.420 -4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.927 -1.789 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.146 -0.168 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.147 0.533 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.254 0.823 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.777 -0.140 -2.003 1.00 0.00 H new ATOM 832 N LEU A 60 -3.512 -4.281 -2.419 1.00 0.00 N ATOM 833 CA LEU A 60 -2.574 -5.114 -3.163 1.00 0.00 C ATOM 834 C LEU A 60 -3.024 -6.572 -3.163 1.00 0.00 C ATOM 835 O LEU A 60 -3.050 -7.224 -4.207 1.00 0.00 O ATOM 836 CB LEU A 60 -1.172 -5.001 -2.562 1.00 0.00 C ATOM 837 CG LEU A 60 -0.570 -3.596 -2.525 1.00 0.00 C ATOM 838 CD1 LEU A 60 0.451 -3.482 -1.404 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.066 -3.253 -3.865 1.00 0.00 C ATOM 0 H LEU A 60 -3.143 -3.911 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.550 -4.760 -4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.202 -5.389 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.502 -5.647 -3.129 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.372 -2.883 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.869 -2.475 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.033 -3.684 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.251 -4.205 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.489 -2.250 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.856 -3.971 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.691 -3.293 -4.648 1.00 0.00 H new ATOM 851 N ARG A 61 -3.378 -7.077 -1.986 1.00 0.00 N ATOM 852 CA ARG A 61 -3.827 -8.457 -1.850 1.00 0.00 C ATOM 853 C ARG A 61 -4.766 -8.838 -2.991 1.00 0.00 C ATOM 854 O ARG A 61 -4.851 -10.004 -3.376 1.00 0.00 O ATOM 855 CB ARG A 61 -4.532 -8.657 -0.507 1.00 0.00 C ATOM 856 CG ARG A 61 -3.577 -8.780 0.669 1.00 0.00 C ATOM 857 CD ARG A 61 -2.856 -10.119 0.663 1.00 0.00 C ATOM 858 NE ARG A 61 -3.656 -11.174 1.279 1.00 0.00 N ATOM 859 CZ ARG A 61 -3.696 -11.396 2.588 1.00 0.00 C ATOM 860 NH1 ARG A 61 -2.986 -10.640 3.415 1.00 0.00 N ATOM 861 NH2 ARG A 61 -4.448 -12.376 3.073 1.00 0.00 N ATOM 0 H ARG A 61 -3.362 -6.551 -1.112 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.950 -9.103 -1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.205 -7.818 -0.331 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.148 -9.555 -0.560 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.846 -7.972 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.130 -8.667 1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.617 -10.398 -0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.910 -10.024 1.196 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.214 -11.773 0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.407 -9.885 3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.019 -10.813 4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.996 -12.959 2.440 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.478 -12.546 4.078 1.00 0.00 H new ATOM 875 N SER A 62 -5.470 -7.846 -3.527 1.00 0.00 N ATOM 876 CA SER A 62 -6.406 -8.077 -4.621 1.00 0.00 C ATOM 877 C SER A 62 -5.736 -7.838 -5.970 1.00 0.00 C ATOM 878 O SER A 62 -6.027 -8.523 -6.951 1.00 0.00 O ATOM 879 CB SER A 62 -7.627 -7.165 -4.477 1.00 0.00 C ATOM 880 OG SER A 62 -8.693 -7.608 -5.299 1.00 0.00 O ATOM 0 H SER A 62 -5.410 -6.875 -3.221 1.00 0.00 H new ATOM 0 HA SER A 62 -6.730 -9.117 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.950 -7.146 -3.436 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.356 -6.144 -4.746 1.00 0.00 H new ATOM 0 HG SER A 62 -9.462 -7.010 -5.188 1.00 0.00 H new ATOM 886 N TYR A 63 -4.836 -6.861 -6.012 1.00 0.00 N ATOM 887 CA TYR A 63 -4.124 -6.529 -7.240 1.00 0.00 C ATOM 888 C TYR A 63 -3.536 -7.781 -7.885 1.00 0.00 C ATOM 889 O TYR A 63 -3.399 -7.857 -9.105 1.00 0.00 O ATOM 890 CB TYR A 63 -3.012 -5.519 -6.953 1.00 0.00 C ATOM 891 CG TYR A 63 -2.188 -5.164 -8.170 1.00 0.00 C ATOM 892 CD1 TYR A 63 -2.784 -4.632 -9.306 1.00 0.00 C ATOM 893 CD2 TYR A 63 -0.812 -5.361 -8.183 1.00 0.00 C ATOM 894 CE1 TYR A 63 -2.035 -4.307 -10.421 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.055 -5.038 -9.293 1.00 0.00 C ATOM 896 CZ TYR A 63 -0.671 -4.511 -10.409 1.00 0.00 C ATOM 897 OH TYR A 63 0.079 -4.189 -11.516 1.00 0.00 O ATOM 0 H TYR A 63 -4.583 -6.285 -5.209 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.838 -6.086 -7.935 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.455 -4.610 -6.546 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.354 -5.924 -6.185 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.852 -4.469 -9.318 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.326 -5.773 -7.311 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.515 -3.896 -11.297 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.013 -5.197 -9.287 1.00 0.00 H new ATOM 0 HH TYR A 63 0.929 -4.677 -11.489 1.00 0.00 H new ATOM 907 N GLU A 64 -3.192 -8.760 -7.054 1.00 0.00 N ATOM 908 CA GLU A 64 -2.618 -10.008 -7.543 1.00 0.00 C ATOM 909 C GLU A 64 -3.713 -10.967 -8.002 1.00 0.00 C ATOM 910 O GLU A 64 -3.549 -11.690 -8.986 1.00 0.00 O ATOM 911 CB GLU A 64 -1.772 -10.668 -6.452 1.00 0.00 C ATOM 912 CG GLU A 64 -2.595 -11.361 -5.379 1.00 0.00 C ATOM 913 CD GLU A 64 -1.823 -11.560 -4.089 1.00 0.00 C ATOM 914 OE1 GLU A 64 -1.137 -10.611 -3.656 1.00 0.00 O ATOM 915 OE2 GLU A 64 -1.905 -12.665 -3.513 1.00 0.00 O ATOM 0 H GLU A 64 -3.301 -8.713 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.981 -9.775 -8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.104 -11.396 -6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.144 -9.911 -5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.489 -10.772 -5.176 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.929 -12.330 -5.751 1.00 0.00 H new ATOM 922 N LEU A 65 -4.830 -10.968 -7.282 1.00 0.00 N ATOM 923 CA LEU A 65 -5.953 -11.838 -7.614 1.00 0.00 C ATOM 924 C LEU A 65 -6.536 -11.479 -8.977 1.00 0.00 C ATOM 925 O LEU A 65 -6.862 -12.357 -9.775 1.00 0.00 O ATOM 926 CB LEU A 65 -7.037 -11.736 -6.540 1.00 0.00 C ATOM 927 CG LEU A 65 -6.590 -12.023 -5.106 1.00 0.00 C ATOM 928 CD1 LEU A 65 -7.714 -11.722 -4.126 1.00 0.00 C ATOM 929 CD2 LEU A 65 -6.133 -13.468 -4.968 1.00 0.00 C ATOM 0 H LEU A 65 -4.982 -10.376 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.586 -12.864 -7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.460 -10.732 -6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.839 -12.429 -6.795 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.747 -11.373 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.378 -11.932 -3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.994 -10.672 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.577 -12.346 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.819 -13.654 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.956 -14.136 -5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.296 -13.651 -5.642 1.00 0.00 H new ATOM 941 N ALA A 66 -6.662 -10.182 -9.238 1.00 0.00 N ATOM 942 CA ALA A 66 -7.201 -9.706 -10.505 1.00 0.00 C ATOM 943 C ALA A 66 -6.325 -10.146 -11.674 1.00 0.00 C ATOM 944 O ALA A 66 -6.817 -10.375 -12.778 1.00 0.00 O ATOM 945 CB ALA A 66 -7.336 -8.191 -10.486 1.00 0.00 C ATOM 0 H ALA A 66 -6.398 -9.442 -8.588 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.189 -10.146 -10.639 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.740 -7.850 -11.439 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.008 -7.896 -9.680 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.357 -7.740 -10.325 1.00 0.00 H new ATOM 951 N GLY A 67 -5.025 -10.261 -11.423 1.00 0.00 N ATOM 952 CA GLY A 67 -4.102 -10.673 -12.464 1.00 0.00 C ATOM 953 C GLY A 67 -3.113 -9.582 -12.826 1.00 0.00 C ATOM 954 O GLY A 67 -2.796 -9.386 -13.999 1.00 0.00 O ATOM 0 H GLY A 67 -4.594 -10.076 -10.517 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.558 -11.558 -12.134 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.665 -10.958 -13.353 1.00 0.00 H new ATOM 958 N GLY A 68 -2.625 -8.869 -11.816 1.00 0.00 N ATOM 959 CA GLY A 68 -1.673 -7.800 -12.055 1.00 0.00 C ATOM 960 C GLY A 68 -0.240 -8.237 -11.821 1.00 0.00 C ATOM 961 O GLY A 68 0.007 -9.306 -11.263 1.00 0.00 O ATOM 0 H GLY A 68 -2.872 -9.012 -10.837 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.779 -7.446 -13.080 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.904 -6.959 -11.402 1.00 0.00 H new ATOM 965 N ASP A 69 0.706 -7.409 -12.250 1.00 0.00 N ATOM 966 CA ASP A 69 2.122 -7.716 -12.085 1.00 0.00 C ATOM 967 C ASP A 69 2.886 -6.497 -11.576 1.00 0.00 C ATOM 968 O ASP A 69 2.544 -5.358 -11.894 1.00 0.00 O ATOM 969 CB ASP A 69 2.721 -8.191 -13.410 1.00 0.00 C ATOM 970 CG ASP A 69 1.903 -9.295 -14.052 1.00 0.00 C ATOM 971 OD1 ASP A 69 0.812 -8.995 -14.580 1.00 0.00 O ATOM 972 OD2 ASP A 69 2.355 -10.458 -14.027 1.00 0.00 O ATOM 0 H ASP A 69 0.518 -6.520 -12.714 1.00 0.00 H new ATOM 0 HA ASP A 69 2.212 -8.514 -11.348 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.791 -7.348 -14.097 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.737 -8.548 -13.239 1.00 0.00 H new ATOM 977 N LEU A 70 3.922 -6.745 -10.782 1.00 0.00 N ATOM 978 CA LEU A 70 4.735 -5.668 -10.227 1.00 0.00 C ATOM 979 C LEU A 70 4.870 -4.520 -11.221 1.00 0.00 C ATOM 980 O LEU A 70 4.582 -3.368 -10.897 1.00 0.00 O ATOM 981 CB LEU A 70 6.120 -6.193 -9.845 1.00 0.00 C ATOM 982 CG LEU A 70 6.885 -5.375 -8.804 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.148 -5.381 -7.474 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.298 -5.913 -8.635 1.00 0.00 C ATOM 0 H LEU A 70 4.219 -7.682 -10.508 1.00 0.00 H new ATOM 0 HA LEU A 70 4.236 -5.293 -9.333 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.010 -7.210 -9.469 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.726 -6.251 -10.749 1.00 0.00 H new ATOM 0 HG LEU A 70 6.950 -4.345 -9.156 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.707 -4.794 -6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.157 -4.947 -7.605 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.051 -6.406 -7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.827 -5.318 -7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.255 -6.951 -8.306 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.826 -5.855 -9.587 1.00 0.00 H new ATOM 996 N ALA A 71 5.309 -4.842 -12.433 1.00 0.00 N ATOM 997 CA ALA A 71 5.479 -3.838 -13.477 1.00 0.00 C ATOM 998 C ALA A 71 4.317 -2.851 -13.482 1.00 0.00 C ATOM 999 O ALA A 71 4.497 -1.664 -13.211 1.00 0.00 O ATOM 1000 CB ALA A 71 5.611 -4.507 -14.837 1.00 0.00 C ATOM 0 H ALA A 71 5.554 -5.791 -12.717 1.00 0.00 H new ATOM 0 HA ALA A 71 6.393 -3.283 -13.268 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.737 -3.745 -15.606 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.478 -5.168 -14.835 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.713 -5.088 -15.045 1.00 0.00 H new ATOM 1006 N GLY A 72 3.124 -3.349 -13.792 1.00 0.00 N ATOM 1007 CA GLY A 72 1.950 -2.496 -13.828 1.00 0.00 C ATOM 1008 C GLY A 72 1.839 -1.612 -12.601 1.00 0.00 C ATOM 1009 O GLY A 72 1.387 -0.469 -12.690 1.00 0.00 O ATOM 0 H GLY A 72 2.949 -4.328 -14.019 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.986 -1.871 -14.720 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.057 -3.115 -13.908 1.00 0.00 H new ATOM 1013 N LEU A 73 2.249 -2.140 -11.454 1.00 0.00 N ATOM 1014 CA LEU A 73 2.192 -1.392 -10.203 1.00 0.00 C ATOM 1015 C LEU A 73 3.275 -0.317 -10.161 1.00 0.00 C ATOM 1016 O LEU A 73 3.054 0.782 -9.652 1.00 0.00 O ATOM 1017 CB LEU A 73 2.351 -2.338 -9.012 1.00 0.00 C ATOM 1018 CG LEU A 73 2.276 -1.693 -7.628 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.887 -1.127 -7.376 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.647 -2.700 -6.549 1.00 0.00 C ATOM 0 H LEU A 73 2.625 -3.084 -11.364 1.00 0.00 H new ATOM 0 HA LEU A 73 1.219 -0.904 -10.144 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.578 -3.104 -9.076 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.311 -2.846 -9.103 1.00 0.00 H new ATOM 0 HG LEU A 73 2.992 -0.872 -7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.854 -0.672 -6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.659 -0.373 -8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.151 -1.930 -7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.588 -2.223 -5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.956 -3.542 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.663 -3.057 -6.718 1.00 0.00 H new ATOM 1032 N LEU A 74 4.444 -0.642 -10.702 1.00 0.00 N ATOM 1033 CA LEU A 74 5.561 0.296 -10.729 1.00 0.00 C ATOM 1034 C LEU A 74 5.247 1.491 -11.623 1.00 0.00 C ATOM 1035 O LEU A 74 5.493 2.638 -11.250 1.00 0.00 O ATOM 1036 CB LEU A 74 6.829 -0.405 -11.221 1.00 0.00 C ATOM 1037 CG LEU A 74 7.391 -1.495 -10.308 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.168 -2.521 -11.118 1.00 0.00 C ATOM 1039 CD2 LEU A 74 8.274 -0.885 -9.229 1.00 0.00 C ATOM 0 H LEU A 74 4.643 -1.547 -11.128 1.00 0.00 H new ATOM 0 HA LEU A 74 5.724 0.658 -9.714 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.621 -0.847 -12.195 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.602 0.349 -11.371 1.00 0.00 H new ATOM 0 HG LEU A 74 6.557 -2.001 -9.823 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.561 -3.289 -10.452 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.507 -2.981 -11.852 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.994 -2.029 -11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.665 -1.676 -8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.103 -0.352 -9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.687 -0.189 -8.629 1.00 0.00 H new ATOM 1051 N GLU A 75 4.701 1.214 -12.802 1.00 0.00 N ATOM 1052 CA GLU A 75 4.352 2.268 -13.748 1.00 0.00 C ATOM 1053 C GLU A 75 3.308 3.208 -13.154 1.00 0.00 C ATOM 1054 O GLU A 75 3.348 4.418 -13.377 1.00 0.00 O ATOM 1055 CB GLU A 75 3.825 1.661 -15.050 1.00 0.00 C ATOM 1056 CG GLU A 75 2.531 0.883 -14.880 1.00 0.00 C ATOM 1057 CD GLU A 75 1.866 0.560 -16.203 1.00 0.00 C ATOM 1058 OE1 GLU A 75 1.088 1.403 -16.697 1.00 0.00 O ATOM 1059 OE2 GLU A 75 2.122 -0.535 -16.746 1.00 0.00 O ATOM 0 H GLU A 75 4.491 0.270 -13.125 1.00 0.00 H new ATOM 0 HA GLU A 75 5.254 2.842 -13.962 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.666 2.459 -15.775 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.585 0.999 -15.466 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.737 -0.044 -14.345 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.843 1.461 -14.263 1.00 0.00 H new ATOM 1066 N ALA A 76 2.373 2.643 -12.397 1.00 0.00 N ATOM 1067 CA ALA A 76 1.319 3.430 -11.769 1.00 0.00 C ATOM 1068 C ALA A 76 1.890 4.361 -10.704 1.00 0.00 C ATOM 1069 O ALA A 76 1.683 5.575 -10.750 1.00 0.00 O ATOM 1070 CB ALA A 76 0.266 2.515 -11.163 1.00 0.00 C ATOM 0 H ALA A 76 2.324 1.643 -12.204 1.00 0.00 H new ATOM 0 HA ALA A 76 0.851 4.044 -12.538 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.515 3.117 -10.698 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.172 1.895 -11.946 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.729 1.876 -10.411 1.00 0.00 H new ATOM 1076 N LEU A 77 2.606 3.786 -9.745 1.00 0.00 N ATOM 1077 CA LEU A 77 3.207 4.564 -8.667 1.00 0.00 C ATOM 1078 C LEU A 77 4.004 5.740 -9.223 1.00 0.00 C ATOM 1079 O LEU A 77 3.756 6.893 -8.871 1.00 0.00 O ATOM 1080 CB LEU A 77 4.113 3.676 -7.813 1.00 0.00 C ATOM 1081 CG LEU A 77 3.426 2.524 -7.079 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.457 1.589 -6.468 1.00 0.00 C ATOM 1083 CD2 LEU A 77 2.488 3.059 -6.007 1.00 0.00 C ATOM 0 H LEU A 77 2.785 2.783 -9.691 1.00 0.00 H new ATOM 0 HA LEU A 77 2.403 4.956 -8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.889 3.260 -8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.612 4.304 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 77 2.837 1.959 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.949 0.776 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.088 1.179 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.074 2.141 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.008 2.225 -5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.056 3.648 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.727 3.687 -6.470 1.00 0.00 H new ATOM 1095 N SER A 78 4.962 5.439 -10.094 1.00 0.00 N ATOM 1096 CA SER A 78 5.798 6.470 -10.698 1.00 0.00 C ATOM 1097 C SER A 78 4.945 7.615 -11.235 1.00 0.00 C ATOM 1098 O SER A 78 5.119 8.770 -10.846 1.00 0.00 O ATOM 1099 CB SER A 78 6.643 5.876 -11.826 1.00 0.00 C ATOM 1100 OG SER A 78 7.684 6.760 -12.203 1.00 0.00 O ATOM 0 H SER A 78 5.178 4.489 -10.397 1.00 0.00 H new ATOM 0 HA SER A 78 6.460 6.864 -9.927 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.068 4.925 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.009 5.667 -12.688 1.00 0.00 H new ATOM 0 HG SER A 78 8.211 6.357 -12.924 1.00 0.00 H new ATOM 1106 N ASP A 79 4.022 7.285 -12.132 1.00 0.00 N ATOM 1107 CA ASP A 79 3.139 8.285 -12.723 1.00 0.00 C ATOM 1108 C ASP A 79 2.610 9.240 -11.659 1.00 0.00 C ATOM 1109 O ASP A 79 2.560 10.452 -11.868 1.00 0.00 O ATOM 1110 CB ASP A 79 1.973 7.605 -13.442 1.00 0.00 C ATOM 1111 CG ASP A 79 1.465 8.415 -14.618 1.00 0.00 C ATOM 1112 OD1 ASP A 79 2.160 8.455 -15.655 1.00 0.00 O ATOM 1113 OD2 ASP A 79 0.373 9.010 -14.502 1.00 0.00 O ATOM 0 H ASP A 79 3.866 6.334 -12.466 1.00 0.00 H new ATOM 0 HA ASP A 79 3.716 8.861 -13.447 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.289 6.622 -13.791 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.158 7.445 -12.736 1.00 0.00 H new ATOM 1118 N MET A 80 2.215 8.687 -10.517 1.00 0.00 N ATOM 1119 CA MET A 80 1.689 9.490 -9.420 1.00 0.00 C ATOM 1120 C MET A 80 2.804 10.279 -8.741 1.00 0.00 C ATOM 1121 O MET A 80 2.617 11.432 -8.355 1.00 0.00 O ATOM 1122 CB MET A 80 0.984 8.597 -8.397 1.00 0.00 C ATOM 1123 CG MET A 80 -0.172 7.801 -8.980 1.00 0.00 C ATOM 1124 SD MET A 80 -0.861 6.617 -7.808 1.00 0.00 S ATOM 1125 CE MET A 80 -1.087 7.660 -6.369 1.00 0.00 C ATOM 0 H MET A 80 2.249 7.685 -10.327 1.00 0.00 H new ATOM 0 HA MET A 80 0.968 10.195 -9.833 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.710 7.906 -7.968 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.613 9.217 -7.581 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.956 8.488 -9.300 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.169 7.270 -9.869 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.942 7.306 -5.794 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.192 7.623 -5.748 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.264 8.687 -6.688 1.00 0.00 H new ATOM 1135 N GLY A 81 3.966 9.649 -8.597 1.00 0.00 N ATOM 1136 CA GLY A 81 5.094 10.307 -7.964 1.00 0.00 C ATOM 1137 C GLY A 81 5.808 9.409 -6.974 1.00 0.00 C ATOM 1138 O GLY A 81 7.021 9.517 -6.788 1.00 0.00 O ATOM 0 H GLY A 81 4.146 8.694 -8.908 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.799 10.631 -8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.747 11.204 -7.451 1.00 0.00 H new ATOM 1142 N LEU A 82 5.056 8.520 -6.335 1.00 0.00 N ATOM 1143 CA LEU A 82 5.624 7.599 -5.356 1.00 0.00 C ATOM 1144 C LEU A 82 6.867 6.912 -5.912 1.00 0.00 C ATOM 1145 O LEU A 82 6.772 5.883 -6.580 1.00 0.00 O ATOM 1146 CB LEU A 82 4.587 6.551 -4.950 1.00 0.00 C ATOM 1147 CG LEU A 82 3.238 7.091 -4.473 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.126 6.103 -4.787 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.281 7.392 -2.982 1.00 0.00 C ATOM 0 H LEU A 82 4.051 8.417 -6.477 1.00 0.00 H new ATOM 0 HA LEU A 82 5.912 8.175 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.412 5.893 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.012 5.938 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 82 3.032 8.020 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.174 6.505 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.080 5.937 -5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.326 5.158 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.313 7.775 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.511 6.479 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.051 8.138 -2.783 1.00 0.00 H new ATOM 1161 N GLU A 83 8.032 7.487 -5.629 1.00 0.00 N ATOM 1162 CA GLU A 83 9.293 6.928 -6.100 1.00 0.00 C ATOM 1163 C GLU A 83 9.761 5.796 -5.190 1.00 0.00 C ATOM 1164 O GLU A 83 9.956 4.667 -5.639 1.00 0.00 O ATOM 1165 CB GLU A 83 10.366 8.018 -6.168 1.00 0.00 C ATOM 1166 CG GLU A 83 10.041 9.131 -7.150 1.00 0.00 C ATOM 1167 CD GLU A 83 11.257 9.958 -7.518 1.00 0.00 C ATOM 1168 OE1 GLU A 83 12.386 9.438 -7.401 1.00 0.00 O ATOM 1169 OE2 GLU A 83 11.079 11.127 -7.922 1.00 0.00 O ATOM 0 H GLU A 83 8.128 8.339 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 83 9.130 6.524 -7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.499 8.448 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.316 7.564 -6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.613 8.699 -8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.281 9.782 -6.717 1.00 0.00 H new ATOM 1176 N GLU A 84 9.938 6.108 -3.910 1.00 0.00 N ATOM 1177 CA GLU A 84 10.383 5.117 -2.938 1.00 0.00 C ATOM 1178 C GLU A 84 9.793 3.745 -3.249 1.00 0.00 C ATOM 1179 O GLU A 84 10.519 2.763 -3.397 1.00 0.00 O ATOM 1180 CB GLU A 84 9.989 5.545 -1.523 1.00 0.00 C ATOM 1181 CG GLU A 84 10.929 5.030 -0.446 1.00 0.00 C ATOM 1182 CD GLU A 84 10.814 3.532 -0.240 1.00 0.00 C ATOM 1183 OE1 GLU A 84 11.312 2.775 -1.100 1.00 0.00 O ATOM 1184 OE2 GLU A 84 10.226 3.116 0.780 1.00 0.00 O ATOM 0 H GLU A 84 9.780 7.038 -3.523 1.00 0.00 H new ATOM 0 HA GLU A 84 11.469 5.048 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.959 6.634 -1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.980 5.190 -1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.956 5.278 -0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.714 5.540 0.493 1.00 0.00 H new ATOM 1191 N GLY A 85 8.468 3.686 -3.347 1.00 0.00 N ATOM 1192 CA GLY A 85 7.801 2.431 -3.640 1.00 0.00 C ATOM 1193 C GLY A 85 8.365 1.748 -4.870 1.00 0.00 C ATOM 1194 O GLY A 85 8.538 0.529 -4.888 1.00 0.00 O ATOM 0 H GLY A 85 7.845 4.485 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.895 1.764 -2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.736 2.614 -3.786 1.00 0.00 H new ATOM 1198 N VAL A 86 8.650 2.534 -5.903 1.00 0.00 N ATOM 1199 CA VAL A 86 9.197 1.998 -7.144 1.00 0.00 C ATOM 1200 C VAL A 86 10.500 1.248 -6.892 1.00 0.00 C ATOM 1201 O VAL A 86 10.683 0.125 -7.363 1.00 0.00 O ATOM 1202 CB VAL A 86 9.452 3.115 -8.174 1.00 0.00 C ATOM 1203 CG1 VAL A 86 10.120 2.551 -9.419 1.00 0.00 C ATOM 1204 CG2 VAL A 86 8.150 3.818 -8.529 1.00 0.00 C ATOM 0 H VAL A 86 8.511 3.545 -5.905 1.00 0.00 H new ATOM 0 HA VAL A 86 8.455 1.307 -7.544 1.00 0.00 H new ATOM 0 HB VAL A 86 10.126 3.848 -7.731 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.292 3.354 -10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.073 2.097 -9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.474 1.797 -9.868 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.348 4.604 -9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.451 3.097 -8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.717 4.257 -7.630 1.00 0.00 H new ATOM 1214 N ARG A 87 11.402 1.875 -6.144 1.00 0.00 N ATOM 1215 CA ARG A 87 12.689 1.267 -5.829 1.00 0.00 C ATOM 1216 C ARG A 87 12.509 0.050 -4.927 1.00 0.00 C ATOM 1217 O ARG A 87 13.126 -0.994 -5.144 1.00 0.00 O ATOM 1218 CB ARG A 87 13.606 2.286 -5.151 1.00 0.00 C ATOM 1219 CG ARG A 87 14.225 3.285 -6.115 1.00 0.00 C ATOM 1220 CD ARG A 87 14.605 4.578 -5.410 1.00 0.00 C ATOM 1221 NE ARG A 87 15.801 4.421 -4.586 1.00 0.00 N ATOM 1222 CZ ARG A 87 17.037 4.459 -5.070 1.00 0.00 C ATOM 1223 NH1 ARG A 87 17.239 4.649 -6.367 1.00 0.00 N ATOM 1224 NH2 ARG A 87 18.074 4.308 -4.257 1.00 0.00 N ATOM 0 H ARG A 87 11.265 2.804 -5.745 1.00 0.00 H new ATOM 0 HA ARG A 87 13.147 0.941 -6.763 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.037 2.828 -4.395 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.403 1.755 -4.630 1.00 0.00 H new ATOM 0 HG2 ARG A 87 15.110 2.847 -6.576 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.521 3.501 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.776 5.359 -6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.775 4.908 -4.785 1.00 0.00 H new ATOM 0 HE ARG A 87 15.680 4.274 -3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.444 4.766 -6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 87 18.189 4.678 -6.736 1.00 0.00 H new ATOM 0 HH21 ARG A 87 17.923 4.162 -3.259 1.00 0.00 H new ATOM 0 HH22 ARG A 87 19.023 4.337 -4.630 1.00 0.00 H new ATOM 1238 N LEU A 88 11.661 0.190 -3.915 1.00 0.00 N ATOM 1239 CA LEU A 88 11.399 -0.898 -2.979 1.00 0.00 C ATOM 1240 C LEU A 88 10.857 -2.123 -3.706 1.00 0.00 C ATOM 1241 O LEU A 88 11.442 -3.205 -3.644 1.00 0.00 O ATOM 1242 CB LEU A 88 10.407 -0.446 -1.906 1.00 0.00 C ATOM 1243 CG LEU A 88 9.734 -1.560 -1.102 1.00 0.00 C ATOM 1244 CD1 LEU A 88 10.749 -2.266 -0.216 1.00 0.00 C ATOM 1245 CD2 LEU A 88 8.592 -1.000 -0.267 1.00 0.00 C ATOM 0 H LEU A 88 11.142 1.047 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 88 12.341 -1.169 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.929 0.212 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.630 0.149 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 88 9.323 -2.289 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.253 -3.055 0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.533 -2.701 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.190 -1.548 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.125 -1.807 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.979 -0.250 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.852 -0.541 -0.923 1.00 0.00 H new ATOM 1257 N LEU A 89 9.736 -1.947 -4.397 1.00 0.00 N ATOM 1258 CA LEU A 89 9.115 -3.038 -5.140 1.00 0.00 C ATOM 1259 C LEU A 89 10.130 -3.727 -6.046 1.00 0.00 C ATOM 1260 O LEU A 89 10.241 -4.953 -6.050 1.00 0.00 O ATOM 1261 CB LEU A 89 7.944 -2.513 -5.973 1.00 0.00 C ATOM 1262 CG LEU A 89 6.669 -2.173 -5.200 1.00 0.00 C ATOM 1263 CD1 LEU A 89 5.733 -1.335 -6.056 1.00 0.00 C ATOM 1264 CD2 LEU A 89 5.974 -3.444 -4.734 1.00 0.00 C ATOM 0 H LEU A 89 9.238 -1.059 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 89 8.743 -3.768 -4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.273 -1.619 -6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.699 -3.259 -6.729 1.00 0.00 H new ATOM 0 HG LEU A 89 6.944 -1.589 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.831 -1.103 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.232 -0.408 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.464 -1.892 -6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.069 -3.184 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.712 -4.053 -5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.643 -4.007 -4.083 1.00 0.00 H new ATOM 1276 N ARG A 90 10.869 -2.931 -6.811 1.00 0.00 N ATOM 1277 CA ARG A 90 11.876 -3.464 -7.721 1.00 0.00 C ATOM 1278 C ARG A 90 12.913 -4.286 -6.962 1.00 0.00 C ATOM 1279 O ARG A 90 13.247 -5.402 -7.359 1.00 0.00 O ATOM 1280 CB ARG A 90 12.564 -2.326 -8.477 1.00 0.00 C ATOM 1281 CG ARG A 90 11.881 -1.963 -9.785 1.00 0.00 C ATOM 1282 CD ARG A 90 12.827 -1.229 -10.723 1.00 0.00 C ATOM 1283 NE ARG A 90 13.739 -2.142 -11.406 1.00 0.00 N ATOM 1284 CZ ARG A 90 14.888 -1.761 -11.952 1.00 0.00 C ATOM 1285 NH1 ARG A 90 15.265 -0.491 -11.894 1.00 0.00 N ATOM 1286 NH2 ARG A 90 15.664 -2.652 -12.557 1.00 0.00 N ATOM 0 H ARG A 90 10.790 -1.914 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 90 11.375 -4.115 -8.437 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.597 -1.444 -7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.596 -2.610 -8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.516 -2.869 -10.270 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.011 -1.338 -9.581 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.248 -0.676 -11.462 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.403 -0.497 -10.157 1.00 0.00 H new ATOM 0 HE ARG A 90 13.479 -3.126 -11.467 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.672 0.196 -11.429 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.148 -0.201 -12.314 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.378 -3.630 -12.603 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.546 -2.359 -12.976 1.00 0.00 H new