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 K(o=0,f=-0.66) USER MOD Single : A 19 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.17) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.4) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 44 SER OG : rot 180:sc= 0.00237 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -164:sc= -4.99! USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 52 THR OG1 : rot -18:sc= 1.08 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 179:sc= 1.11 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 -160:sc= 1.08 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 161:sc= -4.21 (180deg=-5.73!) USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 10 1.870 -12.803 -6.312 1.00 0.00 N ATOM 88 CA LEU A 10 2.815 -11.724 -6.576 1.00 0.00 C ATOM 89 C LEU A 10 4.234 -12.138 -6.199 1.00 0.00 C ATOM 90 O LEU A 10 4.462 -12.707 -5.131 1.00 0.00 O ATOM 91 CB LEU A 10 2.415 -10.468 -5.799 1.00 0.00 C ATOM 92 CG LEU A 10 1.249 -9.665 -6.376 1.00 0.00 C ATOM 93 CD1 LEU A 10 0.914 -8.487 -5.475 1.00 0.00 C ATOM 94 CD2 LEU A 10 1.575 -9.186 -7.783 1.00 0.00 C ATOM 0 HA LEU A 10 2.791 -11.507 -7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.160 -10.761 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.284 -9.813 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 10 0.376 -10.316 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.082 -7.927 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.636 -8.853 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.784 -7.835 -5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.734 -8.616 -8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.461 -8.552 -7.755 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.764 -10.046 -8.425 1.00 0.00 H new ATOM 106 N SER A 11 5.184 -11.847 -7.081 1.00 0.00 N ATOM 107 CA SER A 11 6.581 -12.191 -6.841 1.00 0.00 C ATOM 108 C SER A 11 7.233 -11.188 -5.896 1.00 0.00 C ATOM 109 O SER A 11 8.287 -10.627 -6.197 1.00 0.00 O ATOM 110 CB SER A 11 7.350 -12.239 -8.163 1.00 0.00 C ATOM 111 OG SER A 11 6.938 -13.340 -8.954 1.00 0.00 O ATOM 0 H SER A 11 5.012 -11.374 -7.968 1.00 0.00 H new ATOM 0 HA SER A 11 6.612 -13.176 -6.374 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.191 -11.312 -8.714 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.419 -12.311 -7.963 1.00 0.00 H new ATOM 0 HG SER A 11 7.443 -13.347 -9.794 1.00 0.00 H new ATOM 117 N LEU A 12 6.599 -10.966 -4.750 1.00 0.00 N ATOM 118 CA LEU A 12 7.116 -10.029 -3.758 1.00 0.00 C ATOM 119 C LEU A 12 7.383 -10.734 -2.431 1.00 0.00 C ATOM 120 O LEU A 12 7.040 -11.902 -2.258 1.00 0.00 O ATOM 121 CB LEU A 12 6.128 -8.880 -3.549 1.00 0.00 C ATOM 122 CG LEU A 12 6.045 -7.852 -4.678 1.00 0.00 C ATOM 123 CD1 LEU A 12 4.685 -7.170 -4.680 1.00 0.00 C ATOM 124 CD2 LEU A 12 7.159 -6.825 -4.546 1.00 0.00 C ATOM 0 H LEU A 12 5.726 -11.422 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 12 8.058 -9.626 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.135 -9.304 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.396 -8.359 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 12 6.169 -8.372 -5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.644 -6.442 -5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.904 -7.917 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.531 -6.662 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.085 -6.101 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.067 -6.309 -3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.125 -7.328 -4.595 1.00 0.00 H new ATOM 136 N GLY A 13 7.995 -10.013 -1.497 1.00 0.00 N ATOM 137 CA GLY A 13 8.295 -10.584 -0.197 1.00 0.00 C ATOM 138 C GLY A 13 7.320 -10.136 0.873 1.00 0.00 C ATOM 139 O GLY A 13 6.483 -9.265 0.634 1.00 0.00 O ATOM 0 H GLY A 13 8.288 -9.044 -1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.276 -11.671 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.306 -10.301 0.096 1.00 0.00 H new ATOM 143 N ASP A 14 7.424 -10.734 2.054 1.00 0.00 N ATOM 144 CA ASP A 14 6.543 -10.393 3.165 1.00 0.00 C ATOM 145 C ASP A 14 6.842 -8.990 3.684 1.00 0.00 C ATOM 146 O ASP A 14 5.933 -8.188 3.900 1.00 0.00 O ATOM 147 CB ASP A 14 6.694 -11.411 4.296 1.00 0.00 C ATOM 148 CG ASP A 14 6.790 -12.835 3.784 1.00 0.00 C ATOM 149 OD1 ASP A 14 7.838 -13.188 3.204 1.00 0.00 O ATOM 150 OD2 ASP A 14 5.816 -13.596 3.964 1.00 0.00 O ATOM 0 H ASP A 14 8.110 -11.458 2.267 1.00 0.00 H new ATOM 0 HA ASP A 14 5.516 -10.416 2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.586 -11.176 4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.843 -11.328 4.972 1.00 0.00 H new ATOM 155 N THR A 15 8.124 -8.699 3.883 1.00 0.00 N ATOM 156 CA THR A 15 8.544 -7.394 4.379 1.00 0.00 C ATOM 157 C THR A 15 8.236 -6.296 3.367 1.00 0.00 C ATOM 158 O THR A 15 7.588 -5.302 3.692 1.00 0.00 O ATOM 159 CB THR A 15 10.050 -7.373 4.700 1.00 0.00 C ATOM 160 OG1 THR A 15 10.423 -8.577 5.379 1.00 0.00 O ATOM 161 CG2 THR A 15 10.403 -6.169 5.561 1.00 0.00 C ATOM 0 H THR A 15 8.890 -9.350 3.708 1.00 0.00 H new ATOM 0 HA THR A 15 7.983 -7.208 5.295 1.00 0.00 H new ATOM 0 HB THR A 15 10.598 -7.301 3.761 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.382 -8.557 5.578 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.472 -6.175 5.775 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.145 -5.253 5.029 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.846 -6.215 6.497 1.00 0.00 H new ATOM 169 N ALA A 16 8.705 -6.483 2.137 1.00 0.00 N ATOM 170 CA ALA A 16 8.477 -5.510 1.076 1.00 0.00 C ATOM 171 C ALA A 16 7.029 -5.032 1.071 1.00 0.00 C ATOM 172 O ALA A 16 6.761 -3.833 0.990 1.00 0.00 O ATOM 173 CB ALA A 16 8.843 -6.106 -0.275 1.00 0.00 C ATOM 0 H ALA A 16 9.245 -7.300 1.851 1.00 0.00 H new ATOM 0 HA ALA A 16 9.116 -4.647 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.668 -5.368 -1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.895 -6.391 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.229 -6.987 -0.463 1.00 0.00 H new ATOM 179 N LEU A 17 6.099 -5.977 1.158 1.00 0.00 N ATOM 180 CA LEU A 17 4.677 -5.652 1.162 1.00 0.00 C ATOM 181 C LEU A 17 4.317 -4.800 2.375 1.00 0.00 C ATOM 182 O LEU A 17 3.838 -3.675 2.234 1.00 0.00 O ATOM 183 CB LEU A 17 3.841 -6.933 1.159 1.00 0.00 C ATOM 184 CG LEU A 17 3.823 -7.719 -0.153 1.00 0.00 C ATOM 185 CD1 LEU A 17 3.316 -9.134 0.080 1.00 0.00 C ATOM 186 CD2 LEU A 17 2.966 -7.007 -1.189 1.00 0.00 C ATOM 0 H LEU A 17 6.304 -6.974 1.227 1.00 0.00 H new ATOM 0 HA LEU A 17 4.458 -5.080 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.213 -7.588 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.814 -6.674 1.418 1.00 0.00 H new ATOM 0 HG LEU A 17 4.843 -7.778 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.310 -9.678 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.970 -9.643 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.304 -9.096 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.965 -7.580 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.946 -6.916 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.373 -6.014 -1.377 1.00 0.00 H new ATOM 198 N GLN A 18 4.553 -5.343 3.565 1.00 0.00 N ATOM 199 CA GLN A 18 4.255 -4.632 4.802 1.00 0.00 C ATOM 200 C GLN A 18 4.667 -3.167 4.700 1.00 0.00 C ATOM 201 O GLN A 18 3.896 -2.270 5.040 1.00 0.00 O ATOM 202 CB GLN A 18 4.969 -5.294 5.981 1.00 0.00 C ATOM 203 CG GLN A 18 4.461 -6.693 6.293 1.00 0.00 C ATOM 204 CD GLN A 18 5.193 -7.334 7.455 1.00 0.00 C ATOM 205 OE1 GLN A 18 5.726 -6.644 8.325 1.00 0.00 O ATOM 206 NE2 GLN A 18 5.224 -8.661 7.476 1.00 0.00 N ATOM 0 H GLN A 18 4.950 -6.273 3.698 1.00 0.00 H new ATOM 0 HA GLN A 18 3.179 -4.677 4.967 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.037 -5.344 5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.850 -4.668 6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.396 -6.646 6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.571 -7.321 5.409 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.769 -9.194 6.735 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.703 -9.148 8.234 1.00 0.00 H new ATOM 215 N ASN A 19 5.888 -2.932 4.230 1.00 0.00 N ATOM 216 CA ASN A 19 6.403 -1.575 4.084 1.00 0.00 C ATOM 217 C ASN A 19 5.568 -0.781 3.085 1.00 0.00 C ATOM 218 O ASN A 19 5.103 0.320 3.383 1.00 0.00 O ATOM 219 CB ASN A 19 7.864 -1.608 3.633 1.00 0.00 C ATOM 220 CG ASN A 19 8.824 -1.780 4.795 1.00 0.00 C ATOM 221 OD1 ASN A 19 9.255 -0.804 5.409 1.00 0.00 O ATOM 222 ND2 ASN A 19 9.164 -3.027 5.101 1.00 0.00 N ATOM 0 H ASN A 19 6.539 -3.663 3.944 1.00 0.00 H new ATOM 0 HA ASN A 19 6.341 -1.083 5.054 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.005 -2.425 2.925 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.099 -0.684 3.105 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.807 -3.206 5.872 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.782 -3.806 4.565 1.00 0.00 H new ATOM 229 N LEU A 20 5.381 -1.347 1.897 1.00 0.00 N ATOM 230 CA LEU A 20 4.601 -0.692 0.852 1.00 0.00 C ATOM 231 C LEU A 20 3.217 -0.307 1.366 1.00 0.00 C ATOM 232 O LEU A 20 2.631 0.678 0.918 1.00 0.00 O ATOM 233 CB LEU A 20 4.469 -1.610 -0.364 1.00 0.00 C ATOM 234 CG LEU A 20 4.236 -0.917 -1.706 1.00 0.00 C ATOM 235 CD1 LEU A 20 2.898 -0.195 -1.709 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.368 0.053 -2.009 1.00 0.00 C ATOM 0 H LEU A 20 5.759 -2.257 1.634 1.00 0.00 H new ATOM 0 HA LEU A 20 5.125 0.217 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.375 -2.211 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.644 -2.299 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 20 4.217 -1.677 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.750 0.292 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.096 -0.914 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.887 0.555 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.185 0.537 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.419 0.809 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.312 -0.491 -2.051 1.00 0.00 H new ATOM 248 N GLU A 21 2.703 -1.090 2.309 1.00 0.00 N ATOM 249 CA GLU A 21 1.389 -0.829 2.884 1.00 0.00 C ATOM 250 C GLU A 21 1.376 0.501 3.632 1.00 0.00 C ATOM 251 O GLU A 21 0.426 1.276 3.523 1.00 0.00 O ATOM 252 CB GLU A 21 0.987 -1.962 3.831 1.00 0.00 C ATOM 253 CG GLU A 21 0.819 -3.304 3.137 1.00 0.00 C ATOM 254 CD GLU A 21 0.989 -4.476 4.084 1.00 0.00 C ATOM 255 OE1 GLU A 21 0.758 -4.296 5.298 1.00 0.00 O ATOM 256 OE2 GLU A 21 1.353 -5.572 3.611 1.00 0.00 O ATOM 0 H GLU A 21 3.176 -1.909 2.691 1.00 0.00 H new ATOM 0 HA GLU A 21 0.669 -0.774 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.742 -2.058 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.052 -1.698 4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.170 -3.351 2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.547 -3.385 2.330 1.00 0.00 H new ATOM 263 N GLN A 22 2.437 0.757 4.390 1.00 0.00 N ATOM 264 CA GLN A 22 2.547 1.993 5.157 1.00 0.00 C ATOM 265 C GLN A 22 2.927 3.162 4.253 1.00 0.00 C ATOM 266 O GLN A 22 2.356 4.249 4.355 1.00 0.00 O ATOM 267 CB GLN A 22 3.584 1.836 6.270 1.00 0.00 C ATOM 268 CG GLN A 22 3.451 0.536 7.047 1.00 0.00 C ATOM 269 CD GLN A 22 4.208 0.561 8.360 1.00 0.00 C ATOM 270 OE1 GLN A 22 3.620 0.412 9.432 1.00 0.00 O ATOM 271 NE2 GLN A 22 5.520 0.749 8.284 1.00 0.00 N ATOM 0 H GLN A 22 3.232 0.126 4.490 1.00 0.00 H new ATOM 0 HA GLN A 22 1.575 2.203 5.603 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.582 1.889 5.835 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.492 2.674 6.961 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.397 0.341 7.243 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.819 -0.288 6.435 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.966 0.868 7.375 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.082 0.774 9.135 1.00 0.00 H new ATOM 280 N LEU A 23 3.893 2.932 3.371 1.00 0.00 N ATOM 281 CA LEU A 23 4.349 3.966 2.449 1.00 0.00 C ATOM 282 C LEU A 23 3.166 4.693 1.818 1.00 0.00 C ATOM 283 O LEU A 23 3.098 5.923 1.835 1.00 0.00 O ATOM 284 CB LEU A 23 5.227 3.353 1.358 1.00 0.00 C ATOM 285 CG LEU A 23 6.720 3.251 1.675 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.366 2.147 0.853 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.411 4.583 1.420 1.00 0.00 C ATOM 0 H LEU A 23 4.376 2.039 3.275 1.00 0.00 H new ATOM 0 HA LEU A 23 4.936 4.689 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.854 2.353 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.109 3.944 0.450 1.00 0.00 H new ATOM 0 HG LEU A 23 6.832 3.002 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.428 2.089 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.890 1.194 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.244 2.365 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.472 4.492 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.290 4.861 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.966 5.351 2.053 1.00 0.00 H new ATOM 299 N LEU A 24 2.235 3.925 1.263 1.00 0.00 N ATOM 300 CA LEU A 24 1.052 4.496 0.627 1.00 0.00 C ATOM 301 C LEU A 24 0.159 5.182 1.656 1.00 0.00 C ATOM 302 O LEU A 24 -0.643 6.051 1.314 1.00 0.00 O ATOM 303 CB LEU A 24 0.265 3.406 -0.102 1.00 0.00 C ATOM 304 CG LEU A 24 0.756 3.049 -1.506 1.00 0.00 C ATOM 305 CD1 LEU A 24 0.189 1.708 -1.945 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.377 4.140 -2.497 1.00 0.00 C ATOM 0 H LEU A 24 2.276 2.906 1.240 1.00 0.00 H new ATOM 0 HA LEU A 24 1.382 5.242 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.283 2.503 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.776 3.722 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 24 1.843 2.970 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.549 1.471 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.511 0.932 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.900 1.759 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.734 3.869 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.707 4.251 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.832 5.082 -2.192 1.00 0.00 H new ATOM 318 N ASP A 25 0.305 4.787 2.915 1.00 0.00 N ATOM 319 CA ASP A 25 -0.487 5.366 3.995 1.00 0.00 C ATOM 320 C ASP A 25 0.349 6.341 4.818 1.00 0.00 C ATOM 321 O ASP A 25 1.179 5.933 5.629 1.00 0.00 O ATOM 322 CB ASP A 25 -1.042 4.263 4.897 1.00 0.00 C ATOM 323 CG ASP A 25 -2.039 4.791 5.910 1.00 0.00 C ATOM 324 OD1 ASP A 25 -1.601 5.311 6.957 1.00 0.00 O ATOM 325 OD2 ASP A 25 -3.257 4.683 5.656 1.00 0.00 O ATOM 0 H ASP A 25 0.964 4.068 3.214 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.318 5.913 3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.522 3.502 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.219 3.777 5.421 1.00 0.00 H new ATOM 330 N GLY A 26 0.124 7.634 4.603 1.00 0.00 N ATOM 331 CA GLY A 26 0.864 8.648 5.331 1.00 0.00 C ATOM 332 C GLY A 26 0.921 9.969 4.590 1.00 0.00 C ATOM 333 O GLY A 26 0.623 10.050 3.398 1.00 0.00 O ATOM 0 H GLY A 26 -0.558 7.997 3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.401 8.802 6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.878 8.293 5.512 1.00 0.00 H new ATOM 337 N PRO A 27 1.310 11.036 5.304 1.00 0.00 N ATOM 338 CA PRO A 27 1.413 12.379 4.727 1.00 0.00 C ATOM 339 C PRO A 27 2.567 12.498 3.737 1.00 0.00 C ATOM 340 O PRO A 27 2.387 12.974 2.617 1.00 0.00 O ATOM 341 CB PRO A 27 1.661 13.271 5.947 1.00 0.00 C ATOM 342 CG PRO A 27 2.287 12.370 6.954 1.00 0.00 C ATOM 343 CD PRO A 27 1.680 11.012 6.729 1.00 0.00 C ATOM 0 HA PRO A 27 0.522 12.648 4.159 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.317 14.106 5.700 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.730 13.697 6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.370 12.339 6.830 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.092 12.722 7.967 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.389 10.214 6.947 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.811 10.849 7.367 1.00 0.00 H new ATOM 351 N GLU A 28 3.750 12.063 4.159 1.00 0.00 N ATOM 352 CA GLU A 28 4.932 12.122 3.308 1.00 0.00 C ATOM 353 C GLU A 28 4.653 11.496 1.944 1.00 0.00 C ATOM 354 O GLU A 28 5.094 12.005 0.914 1.00 0.00 O ATOM 355 CB GLU A 28 6.107 11.406 3.978 1.00 0.00 C ATOM 356 CG GLU A 28 7.463 11.978 3.602 1.00 0.00 C ATOM 357 CD GLU A 28 7.722 13.332 4.235 1.00 0.00 C ATOM 358 OE1 GLU A 28 7.088 13.633 5.268 1.00 0.00 O ATOM 359 OE2 GLU A 28 8.556 14.089 3.698 1.00 0.00 O ATOM 0 H GLU A 28 3.915 11.666 5.084 1.00 0.00 H new ATOM 0 HA GLU A 28 5.190 13.171 3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.986 11.461 5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.080 10.350 3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.244 11.282 3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.526 12.070 2.518 1.00 0.00 H new ATOM 366 N ALA A 29 3.918 10.389 1.947 1.00 0.00 N ATOM 367 CA ALA A 29 3.579 9.694 0.712 1.00 0.00 C ATOM 368 C ALA A 29 3.227 10.682 -0.395 1.00 0.00 C ATOM 369 O ALA A 29 2.133 11.245 -0.412 1.00 0.00 O ATOM 370 CB ALA A 29 2.424 8.731 0.948 1.00 0.00 C ATOM 0 H ALA A 29 3.546 9.954 2.791 1.00 0.00 H new ATOM 0 HA ALA A 29 4.453 9.126 0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.181 8.219 0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.710 7.998 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.552 9.286 1.294 1.00 0.00 H new ATOM 376 N GLN A 30 4.163 10.888 -1.317 1.00 0.00 N ATOM 377 CA GLN A 30 3.951 11.810 -2.426 1.00 0.00 C ATOM 378 C GLN A 30 2.597 11.568 -3.085 1.00 0.00 C ATOM 379 O GLN A 30 2.059 12.443 -3.761 1.00 0.00 O ATOM 380 CB GLN A 30 5.068 11.662 -3.461 1.00 0.00 C ATOM 381 CG GLN A 30 6.417 12.171 -2.977 1.00 0.00 C ATOM 382 CD GLN A 30 7.121 11.184 -2.067 1.00 0.00 C ATOM 383 OE1 GLN A 30 7.576 11.540 -0.980 1.00 0.00 O ATOM 384 NE2 GLN A 30 7.215 9.935 -2.508 1.00 0.00 N ATOM 0 H GLN A 30 5.074 10.429 -1.317 1.00 0.00 H new ATOM 0 HA GLN A 30 3.965 12.825 -2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.162 10.611 -3.734 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.788 12.202 -4.365 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.052 12.382 -3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.277 13.113 -2.446 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.823 9.684 -3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.679 9.227 -1.939 1.00 0.00 H new ATOM 393 N GLY A 31 2.052 10.372 -2.883 1.00 0.00 N ATOM 394 CA GLY A 31 0.765 10.036 -3.465 1.00 0.00 C ATOM 395 C GLY A 31 -0.150 9.335 -2.481 1.00 0.00 C ATOM 396 O GLY A 31 -0.225 9.716 -1.312 1.00 0.00 O ATOM 0 H GLY A 31 2.478 9.630 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.282 10.946 -3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.918 9.396 -4.334 1.00 0.00 H new ATOM 400 N SER A 32 -0.851 8.309 -2.954 1.00 0.00 N ATOM 401 CA SER A 32 -1.770 7.557 -2.108 1.00 0.00 C ATOM 402 C SER A 32 -2.182 6.251 -2.781 1.00 0.00 C ATOM 403 O SER A 32 -1.966 6.062 -3.978 1.00 0.00 O ATOM 404 CB SER A 32 -3.011 8.396 -1.796 1.00 0.00 C ATOM 405 OG SER A 32 -3.788 7.796 -0.774 1.00 0.00 O ATOM 0 H SER A 32 -0.800 7.980 -3.918 1.00 0.00 H new ATOM 0 HA SER A 32 -1.256 7.320 -1.176 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.709 9.397 -1.488 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.614 8.508 -2.697 1.00 0.00 H new ATOM 0 HG SER A 32 -4.574 8.352 -0.592 1.00 0.00 H new ATOM 411 N TRP A 33 -2.774 5.353 -2.002 1.00 0.00 N ATOM 412 CA TRP A 33 -3.216 4.063 -2.522 1.00 0.00 C ATOM 413 C TRP A 33 -4.513 4.209 -3.309 1.00 0.00 C ATOM 414 O TRP A 33 -4.694 3.574 -4.347 1.00 0.00 O ATOM 415 CB TRP A 33 -3.409 3.068 -1.376 1.00 0.00 C ATOM 416 CG TRP A 33 -4.374 3.544 -0.333 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.075 4.245 0.801 1.00 0.00 C ATOM 418 CD2 TRP A 33 -5.793 3.352 -0.326 1.00 0.00 C ATOM 419 NE1 TRP A 33 -5.223 4.500 1.512 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.290 3.963 0.842 1.00 0.00 C ATOM 421 CE3 TRP A 33 -6.691 2.725 -1.193 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -7.645 3.964 1.162 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -8.036 2.726 -0.874 1.00 0.00 C ATOM 424 CH2 TRP A 33 -8.503 3.342 0.295 1.00 0.00 C ATOM 0 H TRP A 33 -2.959 5.494 -1.009 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.446 3.687 -3.195 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.763 2.120 -1.783 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.445 2.873 -0.907 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.083 4.553 1.095 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.272 5.007 2.396 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.341 2.248 -2.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.007 4.439 2.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -8.739 2.244 -1.537 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -9.560 3.326 0.516 1.00 0.00 H new ATOM 435 N ALA A 34 -5.412 5.051 -2.810 1.00 0.00 N ATOM 436 CA ALA A 34 -6.692 5.281 -3.469 1.00 0.00 C ATOM 437 C ALA A 34 -6.503 5.536 -4.960 1.00 0.00 C ATOM 438 O ALA A 34 -6.959 4.755 -5.795 1.00 0.00 O ATOM 439 CB ALA A 34 -7.416 6.451 -2.820 1.00 0.00 C ATOM 0 H ALA A 34 -5.278 5.585 -1.952 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.299 4.383 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.370 6.612 -3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.592 6.231 -1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.805 7.350 -2.906 1.00 0.00 H new ATOM 445 N GLU A 35 -5.827 6.633 -5.288 1.00 0.00 N ATOM 446 CA GLU A 35 -5.580 6.989 -6.680 1.00 0.00 C ATOM 447 C GLU A 35 -4.885 5.849 -7.419 1.00 0.00 C ATOM 448 O GLU A 35 -5.295 5.463 -8.514 1.00 0.00 O ATOM 449 CB GLU A 35 -4.729 8.258 -6.761 1.00 0.00 C ATOM 450 CG GLU A 35 -4.259 8.587 -8.168 1.00 0.00 C ATOM 451 CD GLU A 35 -5.398 8.640 -9.167 1.00 0.00 C ATOM 452 OE1 GLU A 35 -6.275 9.517 -9.022 1.00 0.00 O ATOM 453 OE2 GLU A 35 -5.413 7.803 -10.094 1.00 0.00 O ATOM 0 H GLU A 35 -5.441 7.290 -4.609 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.542 7.174 -7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.306 9.098 -6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.859 8.144 -6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.744 9.547 -8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.534 7.839 -8.489 1.00 0.00 H new ATOM 460 N LEU A 36 -3.831 5.316 -6.812 1.00 0.00 N ATOM 461 CA LEU A 36 -3.077 4.220 -7.412 1.00 0.00 C ATOM 462 C LEU A 36 -4.009 3.096 -7.855 1.00 0.00 C ATOM 463 O LEU A 36 -3.846 2.532 -8.936 1.00 0.00 O ATOM 464 CB LEU A 36 -2.046 3.681 -6.419 1.00 0.00 C ATOM 465 CG LEU A 36 -1.527 2.269 -6.690 1.00 0.00 C ATOM 466 CD1 LEU A 36 -0.699 2.240 -7.966 1.00 0.00 C ATOM 467 CD2 LEU A 36 -0.708 1.765 -5.510 1.00 0.00 C ATOM 0 H LEU A 36 -3.479 5.624 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.560 4.606 -8.291 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.195 4.362 -6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.487 3.699 -5.422 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.383 1.608 -6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.338 1.227 -8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.315 2.557 -8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.151 2.915 -7.864 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.347 0.758 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.141 2.428 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.331 1.747 -4.616 1.00 0.00 H new ATOM 479 N ALA A 37 -4.986 2.778 -7.013 1.00 0.00 N ATOM 480 CA ALA A 37 -5.947 1.726 -7.319 1.00 0.00 C ATOM 481 C ALA A 37 -6.723 2.045 -8.592 1.00 0.00 C ATOM 482 O ALA A 37 -7.035 1.152 -9.379 1.00 0.00 O ATOM 483 CB ALA A 37 -6.902 1.527 -6.152 1.00 0.00 C ATOM 0 H ALA A 37 -5.133 3.234 -6.113 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.395 0.801 -7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.614 0.738 -6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.337 1.245 -5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.440 2.455 -5.960 1.00 0.00 H new ATOM 489 N GLU A 38 -7.031 3.323 -8.787 1.00 0.00 N ATOM 490 CA GLU A 38 -7.773 3.758 -9.965 1.00 0.00 C ATOM 491 C GLU A 38 -6.978 3.487 -11.239 1.00 0.00 C ATOM 492 O GLU A 38 -7.538 3.088 -12.260 1.00 0.00 O ATOM 493 CB GLU A 38 -8.105 5.248 -9.865 1.00 0.00 C ATOM 494 CG GLU A 38 -8.953 5.603 -8.655 1.00 0.00 C ATOM 495 CD GLU A 38 -9.624 6.956 -8.789 1.00 0.00 C ATOM 496 OE1 GLU A 38 -10.439 7.125 -9.720 1.00 0.00 O ATOM 497 OE2 GLU A 38 -9.333 7.846 -7.963 1.00 0.00 O ATOM 0 H GLU A 38 -6.779 4.075 -8.145 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.702 3.189 -10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.176 5.817 -9.826 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.630 5.556 -10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.715 4.836 -8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.326 5.599 -7.763 1.00 0.00 H new ATOM 504 N ARG A 39 -5.669 3.708 -11.171 1.00 0.00 N ATOM 505 CA ARG A 39 -4.797 3.491 -12.319 1.00 0.00 C ATOM 506 C ARG A 39 -4.817 2.026 -12.746 1.00 0.00 C ATOM 507 O ARG A 39 -4.780 1.715 -13.938 1.00 0.00 O ATOM 508 CB ARG A 39 -3.366 3.917 -11.987 1.00 0.00 C ATOM 509 CG ARG A 39 -3.227 5.400 -11.686 1.00 0.00 C ATOM 510 CD ARG A 39 -1.799 5.880 -11.896 1.00 0.00 C ATOM 511 NE ARG A 39 -1.737 7.315 -12.158 1.00 0.00 N ATOM 512 CZ ARG A 39 -2.271 7.891 -13.229 1.00 0.00 C ATOM 513 NH1 ARG A 39 -2.905 7.157 -14.133 1.00 0.00 N ATOM 514 NH2 ARG A 39 -2.173 9.203 -13.397 1.00 0.00 N ATOM 0 H ARG A 39 -5.189 4.037 -10.333 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.167 4.098 -13.145 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.016 3.346 -11.127 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.716 3.662 -12.824 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.901 5.967 -12.328 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.529 5.593 -10.657 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.205 5.647 -11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.354 5.339 -12.731 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.257 7.908 -11.481 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.983 6.148 -14.007 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.314 7.601 -14.955 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.687 9.771 -12.703 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.584 9.644 -14.220 1.00 0.00 H new ATOM 528 N LEU A 40 -4.874 1.130 -11.767 1.00 0.00 N ATOM 529 CA LEU A 40 -4.898 -0.303 -12.041 1.00 0.00 C ATOM 530 C LEU A 40 -6.258 -0.731 -12.582 1.00 0.00 C ATOM 531 O LEU A 40 -6.349 -1.607 -13.441 1.00 0.00 O ATOM 532 CB LEU A 40 -4.571 -1.090 -10.772 1.00 0.00 C ATOM 533 CG LEU A 40 -3.319 -0.649 -10.012 1.00 0.00 C ATOM 534 CD1 LEU A 40 -3.414 -1.051 -8.548 1.00 0.00 C ATOM 535 CD2 LEU A 40 -2.071 -1.240 -10.650 1.00 0.00 C ATOM 0 H LEU A 40 -4.904 1.370 -10.776 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.143 -0.516 -12.798 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.424 -1.023 -10.097 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.458 -2.141 -11.039 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.249 0.437 -10.065 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.515 -0.729 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.286 -0.578 -8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.509 -2.134 -8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.190 -0.915 -10.096 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.132 -2.328 -10.629 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.995 -0.901 -11.683 1.00 0.00 H new ATOM 547 N GLY A 41 -7.316 -0.104 -12.074 1.00 0.00 N ATOM 548 CA GLY A 41 -8.657 -0.433 -12.520 1.00 0.00 C ATOM 549 C GLY A 41 -9.593 -0.737 -11.367 1.00 0.00 C ATOM 550 O GLY A 41 -10.775 -1.015 -11.573 1.00 0.00 O ATOM 0 H GLY A 41 -7.268 0.625 -11.362 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.058 0.398 -13.100 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.614 -1.295 -13.186 1.00 0.00 H new ATOM 554 N LEU A 42 -9.065 -0.686 -10.149 1.00 0.00 N ATOM 555 CA LEU A 42 -9.860 -0.960 -8.958 1.00 0.00 C ATOM 556 C LEU A 42 -10.333 0.337 -8.309 1.00 0.00 C ATOM 557 O LEU A 42 -10.181 0.530 -7.102 1.00 0.00 O ATOM 558 CB LEU A 42 -9.047 -1.779 -7.954 1.00 0.00 C ATOM 559 CG LEU A 42 -8.352 -3.023 -8.509 1.00 0.00 C ATOM 560 CD1 LEU A 42 -7.126 -3.365 -7.677 1.00 0.00 C ATOM 561 CD2 LEU A 42 -9.317 -4.199 -8.549 1.00 0.00 C ATOM 0 H LEU A 42 -8.089 -0.457 -9.961 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.736 -1.534 -9.261 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.290 -1.130 -7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.710 -2.088 -7.146 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.027 -2.811 -9.527 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.644 -4.253 -8.087 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.426 -2.529 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.427 -3.558 -6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.806 -5.076 -8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.673 -4.412 -7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.165 -3.952 -9.188 1.00 0.00 H new ATOM 573 N ARG A 43 -10.909 1.221 -9.117 1.00 0.00 N ATOM 574 CA ARG A 43 -11.406 2.499 -8.621 1.00 0.00 C ATOM 575 C ARG A 43 -12.695 2.310 -7.827 1.00 0.00 C ATOM 576 O ARG A 43 -13.141 3.217 -7.123 1.00 0.00 O ATOM 577 CB ARG A 43 -11.647 3.463 -9.784 1.00 0.00 C ATOM 578 CG ARG A 43 -12.844 3.092 -10.644 1.00 0.00 C ATOM 579 CD ARG A 43 -13.393 4.301 -11.386 1.00 0.00 C ATOM 580 NE ARG A 43 -14.379 3.923 -12.394 1.00 0.00 N ATOM 581 CZ ARG A 43 -15.146 4.797 -13.037 1.00 0.00 C ATOM 582 NH1 ARG A 43 -15.040 6.093 -12.777 1.00 0.00 N ATOM 583 NH2 ARG A 43 -16.020 4.376 -13.941 1.00 0.00 N ATOM 0 H ARG A 43 -11.043 1.076 -10.118 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.651 2.922 -7.959 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.792 4.468 -9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.756 3.493 -10.410 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.554 2.324 -11.361 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.625 2.663 -10.017 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.849 4.988 -10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.573 4.836 -11.864 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.485 2.933 -12.617 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.369 6.421 -12.082 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -15.630 6.762 -13.272 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -16.104 3.380 -14.144 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.608 5.048 -14.434 1.00 0.00 H new ATOM 597 N SER A 44 -13.290 1.128 -7.946 1.00 0.00 N ATOM 598 CA SER A 44 -14.530 0.821 -7.244 1.00 0.00 C ATOM 599 C SER A 44 -14.243 0.264 -5.853 1.00 0.00 C ATOM 600 O SER A 44 -14.926 0.600 -4.884 1.00 0.00 O ATOM 601 CB SER A 44 -15.361 -0.182 -8.046 1.00 0.00 C ATOM 602 OG SER A 44 -14.595 -1.326 -8.381 1.00 0.00 O ATOM 0 H SER A 44 -12.933 0.366 -8.523 1.00 0.00 H new ATOM 0 HA SER A 44 -15.096 1.746 -7.136 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.234 -0.482 -7.466 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.730 0.292 -8.956 1.00 0.00 H new ATOM 0 HG SER A 44 -15.149 -1.953 -8.892 1.00 0.00 H new ATOM 608 N LEU A 45 -13.229 -0.588 -5.761 1.00 0.00 N ATOM 609 CA LEU A 45 -12.850 -1.193 -4.489 1.00 0.00 C ATOM 610 C LEU A 45 -12.305 -0.142 -3.527 1.00 0.00 C ATOM 611 O LEU A 45 -12.297 -0.342 -2.312 1.00 0.00 O ATOM 612 CB LEU A 45 -11.803 -2.286 -4.714 1.00 0.00 C ATOM 613 CG LEU A 45 -12.318 -3.594 -5.317 1.00 0.00 C ATOM 614 CD1 LEU A 45 -11.161 -4.430 -5.844 1.00 0.00 C ATOM 615 CD2 LEU A 45 -13.119 -4.378 -4.288 1.00 0.00 C ATOM 0 H LEU A 45 -12.654 -0.876 -6.553 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.741 -1.637 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.027 -1.889 -5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.330 -2.511 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 45 -12.976 -3.352 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.546 -5.357 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.629 -3.871 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.478 -4.662 -5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.477 -5.305 -4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.485 -4.609 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.970 -3.782 -3.958 1.00 0.00 H new ATOM 627 N VAL A 46 -11.853 0.979 -4.079 1.00 0.00 N ATOM 628 CA VAL A 46 -11.310 2.064 -3.269 1.00 0.00 C ATOM 629 C VAL A 46 -12.157 2.297 -2.024 1.00 0.00 C ATOM 630 O VAL A 46 -11.705 2.070 -0.901 1.00 0.00 O ATOM 631 CB VAL A 46 -11.225 3.375 -4.073 1.00 0.00 C ATOM 632 CG1 VAL A 46 -10.662 4.495 -3.210 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.383 3.180 -5.324 1.00 0.00 C ATOM 0 H VAL A 46 -11.852 1.160 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.306 1.764 -2.970 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.232 3.657 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.609 5.413 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.310 4.651 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.663 4.224 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.334 4.117 -5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.376 2.873 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.834 2.410 -5.950 1.00 0.00 H new ATOM 643 N ASP A 47 -13.388 2.752 -2.229 1.00 0.00 N ATOM 644 CA ASP A 47 -14.300 3.016 -1.122 1.00 0.00 C ATOM 645 C ASP A 47 -14.400 1.804 -0.200 1.00 0.00 C ATOM 646 O ASP A 47 -14.321 1.932 1.022 1.00 0.00 O ATOM 647 CB ASP A 47 -15.686 3.384 -1.653 1.00 0.00 C ATOM 648 CG ASP A 47 -16.441 4.302 -0.711 1.00 0.00 C ATOM 649 OD1 ASP A 47 -16.235 5.532 -0.788 1.00 0.00 O ATOM 650 OD2 ASP A 47 -17.239 3.791 0.102 1.00 0.00 O ATOM 0 H ASP A 47 -13.778 2.946 -3.152 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.904 3.854 -0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.583 3.869 -2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.265 2.474 -1.811 1.00 0.00 H new ATOM 655 N THR A 48 -14.575 0.628 -0.794 1.00 0.00 N ATOM 656 CA THR A 48 -14.689 -0.606 -0.027 1.00 0.00 C ATOM 657 C THR A 48 -13.555 -0.731 0.984 1.00 0.00 C ATOM 658 O THR A 48 -13.791 -0.788 2.191 1.00 0.00 O ATOM 659 CB THR A 48 -14.679 -1.842 -0.947 1.00 0.00 C ATOM 660 OG1 THR A 48 -15.755 -1.760 -1.889 1.00 0.00 O ATOM 661 CG2 THR A 48 -14.806 -3.122 -0.135 1.00 0.00 C ATOM 0 H THR A 48 -14.641 0.504 -1.804 1.00 0.00 H new ATOM 0 HA THR A 48 -15.641 -0.563 0.502 1.00 0.00 H new ATOM 0 HB THR A 48 -13.729 -1.862 -1.481 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.741 -2.548 -2.471 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.797 -3.981 -0.806 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.970 -3.196 0.561 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.742 -3.108 0.423 1.00 0.00 H new ATOM 669 N TYR A 49 -12.325 -0.772 0.485 1.00 0.00 N ATOM 670 CA TYR A 49 -11.154 -0.891 1.345 1.00 0.00 C ATOM 671 C TYR A 49 -11.185 0.154 2.456 1.00 0.00 C ATOM 672 O TYR A 49 -10.889 -0.145 3.613 1.00 0.00 O ATOM 673 CB TYR A 49 -9.873 -0.740 0.523 1.00 0.00 C ATOM 674 CG TYR A 49 -9.747 -1.752 -0.593 1.00 0.00 C ATOM 675 CD1 TYR A 49 -10.070 -3.087 -0.386 1.00 0.00 C ATOM 676 CD2 TYR A 49 -9.304 -1.373 -1.854 1.00 0.00 C ATOM 677 CE1 TYR A 49 -9.956 -4.016 -1.403 1.00 0.00 C ATOM 678 CE2 TYR A 49 -9.188 -2.294 -2.877 1.00 0.00 C ATOM 679 CZ TYR A 49 -9.515 -3.614 -2.647 1.00 0.00 C ATOM 680 OH TYR A 49 -9.399 -4.535 -3.663 1.00 0.00 O ATOM 0 H TYR A 49 -12.113 -0.725 -0.512 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.170 -1.881 1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.840 0.263 0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.013 -0.834 1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.416 -3.405 0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.046 -0.341 -2.038 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.211 -5.050 -1.225 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.843 -1.982 -3.852 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.846 -4.162 -4.381 1.00 0.00 H new ATOM 690 N ARG A 50 -11.548 1.381 2.095 1.00 0.00 N ATOM 691 CA ARG A 50 -11.618 2.472 3.060 1.00 0.00 C ATOM 692 C ARG A 50 -12.130 1.973 4.408 1.00 0.00 C ATOM 693 O ARG A 50 -11.624 2.368 5.458 1.00 0.00 O ATOM 694 CB ARG A 50 -12.527 3.585 2.537 1.00 0.00 C ATOM 695 CG ARG A 50 -12.295 4.928 3.211 1.00 0.00 C ATOM 696 CD ARG A 50 -13.515 5.827 3.096 1.00 0.00 C ATOM 697 NE ARG A 50 -13.238 7.187 3.552 1.00 0.00 N ATOM 698 CZ ARG A 50 -14.108 8.186 3.455 1.00 0.00 C ATOM 699 NH1 ARG A 50 -15.304 7.979 2.921 1.00 0.00 N ATOM 700 NH2 ARG A 50 -13.783 9.396 3.892 1.00 0.00 N ATOM 0 H ARG A 50 -11.798 1.644 1.142 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.612 2.868 3.197 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.372 3.695 1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.567 3.291 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.055 4.772 4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.435 5.420 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.849 5.853 2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.331 5.407 3.683 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.327 7.380 3.968 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.558 7.051 2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.970 8.748 2.848 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.864 9.560 4.303 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.452 10.162 3.817 1.00 0.00 H new ATOM 714 N GLN A 51 -13.135 1.105 4.369 1.00 0.00 N ATOM 715 CA GLN A 51 -13.716 0.554 5.588 1.00 0.00 C ATOM 716 C GLN A 51 -12.738 -0.392 6.277 1.00 0.00 C ATOM 717 O GLN A 51 -12.442 -0.240 7.463 1.00 0.00 O ATOM 718 CB GLN A 51 -15.018 -0.183 5.270 1.00 0.00 C ATOM 719 CG GLN A 51 -16.164 0.742 4.894 1.00 0.00 C ATOM 720 CD GLN A 51 -17.414 -0.014 4.486 1.00 0.00 C ATOM 721 OE1 GLN A 51 -17.721 -1.071 5.037 1.00 0.00 O ATOM 722 NE2 GLN A 51 -18.143 0.527 3.517 1.00 0.00 N ATOM 0 H GLN A 51 -13.564 0.768 3.507 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.931 1.381 6.264 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.841 -0.880 4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -15.310 -0.777 6.136 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.395 1.390 5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.851 1.388 4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -17.850 1.405 3.088 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.996 0.064 3.201 1.00 0.00 H new ATOM 731 N THR A 52 -12.238 -1.369 5.527 1.00 0.00 N ATOM 732 CA THR A 52 -11.295 -2.341 6.067 1.00 0.00 C ATOM 733 C THR A 52 -10.198 -1.653 6.871 1.00 0.00 C ATOM 734 O THR A 52 -9.678 -0.611 6.470 1.00 0.00 O ATOM 735 CB THR A 52 -10.647 -3.176 4.946 1.00 0.00 C ATOM 736 OG1 THR A 52 -9.872 -2.330 4.090 1.00 0.00 O ATOM 737 CG2 THR A 52 -11.707 -3.900 4.129 1.00 0.00 C ATOM 0 H THR A 52 -12.470 -1.508 4.544 1.00 0.00 H new ATOM 0 HA THR A 52 -11.862 -3.003 6.722 1.00 0.00 H new ATOM 0 HB THR A 52 -9.996 -3.919 5.407 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.140 -1.397 4.223 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.226 -4.483 3.344 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.275 -4.566 4.779 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.380 -3.171 3.679 1.00 0.00 H new ATOM 745 N THR A 53 -9.848 -2.243 8.010 1.00 0.00 N ATOM 746 CA THR A 53 -8.812 -1.687 8.872 1.00 0.00 C ATOM 747 C THR A 53 -7.492 -1.544 8.123 1.00 0.00 C ATOM 748 O THR A 53 -6.830 -0.510 8.206 1.00 0.00 O ATOM 749 CB THR A 53 -8.590 -2.563 10.120 1.00 0.00 C ATOM 750 OG1 THR A 53 -9.833 -2.776 10.797 1.00 0.00 O ATOM 751 CG2 THR A 53 -7.594 -1.912 11.068 1.00 0.00 C ATOM 0 H THR A 53 -10.267 -3.106 8.357 1.00 0.00 H new ATOM 0 HA THR A 53 -9.157 -0.702 9.186 1.00 0.00 H new ATOM 0 HB THR A 53 -8.185 -3.522 9.796 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.683 -3.335 11.588 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.453 -2.549 11.941 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.640 -1.779 10.558 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.974 -0.941 11.384 1.00 0.00 H new ATOM 759 N SER A 54 -7.116 -2.588 7.392 1.00 0.00 N ATOM 760 CA SER A 54 -5.872 -2.580 6.631 1.00 0.00 C ATOM 761 C SER A 54 -6.151 -2.680 5.134 1.00 0.00 C ATOM 762 O SER A 54 -6.036 -3.743 4.525 1.00 0.00 O ATOM 763 CB SER A 54 -4.971 -3.735 7.072 1.00 0.00 C ATOM 764 OG SER A 54 -4.453 -3.511 8.371 1.00 0.00 O ATOM 0 H SER A 54 -7.655 -3.450 7.310 1.00 0.00 H new ATOM 0 HA SER A 54 -5.362 -1.637 6.826 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.536 -4.667 7.058 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.150 -3.850 6.365 1.00 0.00 H new ATOM 0 HG SER A 54 -3.882 -4.264 8.630 1.00 0.00 H new ATOM 770 N PRO A 55 -6.528 -1.545 4.526 1.00 0.00 N ATOM 771 CA PRO A 55 -6.831 -1.477 3.094 1.00 0.00 C ATOM 772 C PRO A 55 -5.585 -1.642 2.229 1.00 0.00 C ATOM 773 O PRO A 55 -5.671 -2.057 1.073 1.00 0.00 O ATOM 774 CB PRO A 55 -7.419 -0.074 2.921 1.00 0.00 C ATOM 775 CG PRO A 55 -6.842 0.719 4.043 1.00 0.00 C ATOM 776 CD PRO A 55 -6.686 -0.240 5.191 1.00 0.00 C ATOM 0 HA PRO A 55 -7.502 -2.277 2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.149 0.352 1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.508 -0.092 2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.881 1.151 3.762 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.497 1.547 4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.820 0.006 5.805 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.556 -0.226 5.847 1.00 0.00 H new ATOM 784 N SER A 56 -4.429 -1.315 2.797 1.00 0.00 N ATOM 785 CA SER A 56 -3.166 -1.425 2.077 1.00 0.00 C ATOM 786 C SER A 56 -2.953 -2.846 1.566 1.00 0.00 C ATOM 787 O SER A 56 -2.768 -3.067 0.370 1.00 0.00 O ATOM 788 CB SER A 56 -2.001 -1.016 2.981 1.00 0.00 C ATOM 789 OG SER A 56 -1.792 0.385 2.942 1.00 0.00 O ATOM 0 H SER A 56 -4.341 -0.972 3.753 1.00 0.00 H new ATOM 0 HA SER A 56 -3.206 -0.752 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.205 -1.328 4.005 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.094 -1.531 2.665 1.00 0.00 H new ATOM 0 HG SER A 56 -1.059 0.623 3.547 1.00 0.00 H new ATOM 795 N GLY A 57 -2.980 -3.809 2.483 1.00 0.00 N ATOM 796 CA GLY A 57 -2.788 -5.197 2.108 1.00 0.00 C ATOM 797 C GLY A 57 -3.859 -5.693 1.156 1.00 0.00 C ATOM 798 O GLY A 57 -3.554 -6.182 0.068 1.00 0.00 O ATOM 0 H GLY A 57 -3.132 -3.652 3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.810 -5.312 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.788 -5.816 3.005 1.00 0.00 H new ATOM 802 N SER A 58 -5.117 -5.570 1.567 1.00 0.00 N ATOM 803 CA SER A 58 -6.237 -6.015 0.746 1.00 0.00 C ATOM 804 C SER A 58 -6.117 -5.472 -0.675 1.00 0.00 C ATOM 805 O SER A 58 -6.453 -6.155 -1.644 1.00 0.00 O ATOM 806 CB SER A 58 -7.561 -5.565 1.365 1.00 0.00 C ATOM 807 OG SER A 58 -7.734 -6.120 2.657 1.00 0.00 O ATOM 0 H SER A 58 -5.386 -5.166 2.464 1.00 0.00 H new ATOM 0 HA SER A 58 -6.215 -7.104 0.704 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.586 -4.477 1.427 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.388 -5.867 0.722 1.00 0.00 H new ATOM 0 HG SER A 58 -8.587 -5.816 3.032 1.00 0.00 H new ATOM 813 N LEU A 59 -5.636 -4.240 -0.793 1.00 0.00 N ATOM 814 CA LEU A 59 -5.471 -3.603 -2.095 1.00 0.00 C ATOM 815 C LEU A 59 -4.613 -4.464 -3.017 1.00 0.00 C ATOM 816 O LEU A 59 -5.068 -4.904 -4.074 1.00 0.00 O ATOM 817 CB LEU A 59 -4.836 -2.221 -1.933 1.00 0.00 C ATOM 818 CG LEU A 59 -4.686 -1.397 -3.212 1.00 0.00 C ATOM 819 CD1 LEU A 59 -5.970 -1.438 -4.027 1.00 0.00 C ATOM 820 CD2 LEU A 59 -4.309 0.040 -2.879 1.00 0.00 C ATOM 0 H LEU A 59 -5.353 -3.661 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.458 -3.492 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.435 -1.649 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.849 -2.347 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.886 -1.832 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.845 -0.846 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.198 -2.470 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.789 -1.028 -3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.206 0.612 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.087 0.486 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.363 0.052 -2.337 1.00 0.00 H new ATOM 832 N LEU A 60 -3.372 -4.703 -2.609 1.00 0.00 N ATOM 833 CA LEU A 60 -2.450 -5.514 -3.398 1.00 0.00 C ATOM 834 C LEU A 60 -2.930 -6.960 -3.479 1.00 0.00 C ATOM 835 O LEU A 60 -3.002 -7.540 -4.562 1.00 0.00 O ATOM 836 CB LEU A 60 -1.047 -5.464 -2.790 1.00 0.00 C ATOM 837 CG LEU A 60 -0.345 -4.106 -2.833 1.00 0.00 C ATOM 838 CD1 LEU A 60 0.631 -3.973 -1.675 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.372 -3.920 -4.162 1.00 0.00 C ATOM 0 H LEU A 60 -2.980 -4.347 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.417 -5.104 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.112 -5.784 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.422 -6.190 -3.309 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.099 -3.325 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.121 -3.001 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.091 -4.062 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.381 -4.761 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.866 -2.949 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.115 -4.707 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.351 -3.971 -4.976 1.00 0.00 H new ATOM 851 N ARG A 61 -3.259 -7.534 -2.327 1.00 0.00 N ATOM 852 CA ARG A 61 -3.733 -8.912 -2.268 1.00 0.00 C ATOM 853 C ARG A 61 -4.781 -9.173 -3.346 1.00 0.00 C ATOM 854 O ARG A 61 -4.957 -10.306 -3.793 1.00 0.00 O ATOM 855 CB ARG A 61 -4.320 -9.213 -0.887 1.00 0.00 C ATOM 856 CG ARG A 61 -3.268 -9.442 0.185 1.00 0.00 C ATOM 857 CD ARG A 61 -2.844 -10.901 0.246 1.00 0.00 C ATOM 858 NE ARG A 61 -3.820 -11.726 0.953 1.00 0.00 N ATOM 859 CZ ARG A 61 -3.802 -13.054 0.946 1.00 0.00 C ATOM 860 NH1 ARG A 61 -2.863 -13.705 0.274 1.00 0.00 N ATOM 861 NH2 ARG A 61 -4.725 -13.735 1.613 1.00 0.00 N ATOM 0 H ARG A 61 -3.206 -7.067 -1.422 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.883 -9.570 -2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.960 -8.384 -0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.955 -10.097 -0.956 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.398 -8.817 -0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.662 -9.135 1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.712 -11.283 -0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.877 -10.977 0.743 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.556 -11.257 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.151 -13.186 -0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.852 -14.725 0.271 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.449 -13.239 2.132 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.710 -14.755 1.607 1.00 0.00 H new ATOM 875 N SER A 62 -5.474 -8.116 -3.758 1.00 0.00 N ATOM 876 CA SER A 62 -6.508 -8.232 -4.780 1.00 0.00 C ATOM 877 C SER A 62 -5.942 -7.919 -6.162 1.00 0.00 C ATOM 878 O SER A 62 -6.179 -8.651 -7.123 1.00 0.00 O ATOM 879 CB SER A 62 -7.671 -7.289 -4.468 1.00 0.00 C ATOM 880 OG SER A 62 -8.526 -7.145 -5.589 1.00 0.00 O ATOM 0 H SER A 62 -5.338 -7.171 -3.400 1.00 0.00 H new ATOM 0 HA SER A 62 -6.872 -9.259 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.239 -7.674 -3.621 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.284 -6.313 -4.175 1.00 0.00 H new ATOM 0 HG SER A 62 -9.262 -6.539 -5.363 1.00 0.00 H new ATOM 886 N TYR A 63 -5.192 -6.826 -6.254 1.00 0.00 N ATOM 887 CA TYR A 63 -4.594 -6.414 -7.518 1.00 0.00 C ATOM 888 C TYR A 63 -3.951 -7.601 -8.230 1.00 0.00 C ATOM 889 O TYR A 63 -3.831 -7.612 -9.454 1.00 0.00 O ATOM 890 CB TYR A 63 -3.549 -5.322 -7.280 1.00 0.00 C ATOM 891 CG TYR A 63 -2.671 -5.052 -8.481 1.00 0.00 C ATOM 892 CD1 TYR A 63 -3.224 -4.685 -9.702 1.00 0.00 C ATOM 893 CD2 TYR A 63 -1.289 -5.164 -8.395 1.00 0.00 C ATOM 894 CE1 TYR A 63 -2.426 -4.438 -10.802 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.483 -4.917 -9.489 1.00 0.00 C ATOM 896 CZ TYR A 63 -1.056 -4.554 -10.691 1.00 0.00 C ATOM 897 OH TYR A 63 -0.257 -4.309 -11.783 1.00 0.00 O ATOM 0 H TYR A 63 -4.984 -6.210 -5.468 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.387 -6.018 -8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.057 -4.400 -6.997 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.920 -5.610 -6.438 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.296 -4.591 -9.792 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.837 -5.449 -7.456 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.872 -4.156 -11.744 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.590 -5.007 -9.404 1.00 0.00 H new ATOM 0 HH TYR A 63 0.618 -4.729 -11.649 1.00 0.00 H new ATOM 907 N GLU A 64 -3.542 -8.598 -7.452 1.00 0.00 N ATOM 908 CA GLU A 64 -2.912 -9.790 -8.007 1.00 0.00 C ATOM 909 C GLU A 64 -3.962 -10.794 -8.474 1.00 0.00 C ATOM 910 O GLU A 64 -3.786 -11.467 -9.490 1.00 0.00 O ATOM 911 CB GLU A 64 -1.995 -10.440 -6.969 1.00 0.00 C ATOM 912 CG GLU A 64 -2.722 -11.373 -6.014 1.00 0.00 C ATOM 913 CD GLU A 64 -1.772 -12.174 -5.145 1.00 0.00 C ATOM 914 OE1 GLU A 64 -0.682 -11.656 -4.824 1.00 0.00 O ATOM 915 OE2 GLU A 64 -2.120 -13.318 -4.785 1.00 0.00 O ATOM 0 H GLU A 64 -3.636 -8.604 -6.436 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.316 -9.487 -8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.214 -10.998 -7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.500 -9.658 -6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.386 -10.789 -5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.349 -12.057 -6.587 1.00 0.00 H new ATOM 922 N LEU A 65 -5.055 -10.888 -7.724 1.00 0.00 N ATOM 923 CA LEU A 65 -6.135 -11.810 -8.059 1.00 0.00 C ATOM 924 C LEU A 65 -6.709 -11.498 -9.438 1.00 0.00 C ATOM 925 O LEU A 65 -6.962 -12.401 -10.235 1.00 0.00 O ATOM 926 CB LEU A 65 -7.241 -11.736 -7.005 1.00 0.00 C ATOM 927 CG LEU A 65 -6.855 -12.183 -5.595 1.00 0.00 C ATOM 928 CD1 LEU A 65 -7.923 -11.773 -4.594 1.00 0.00 C ATOM 929 CD2 LEU A 65 -6.635 -13.688 -5.555 1.00 0.00 C ATOM 0 H LEU A 65 -5.217 -10.338 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.725 -12.820 -8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.598 -10.707 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.078 -12.347 -7.342 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.922 -11.691 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.631 -12.100 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.033 -10.689 -4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.872 -12.236 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.361 -13.989 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.552 -14.198 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.834 -13.957 -6.243 1.00 0.00 H new ATOM 941 N ALA A 66 -6.910 -10.213 -9.712 1.00 0.00 N ATOM 942 CA ALA A 66 -7.450 -9.782 -10.996 1.00 0.00 C ATOM 943 C ALA A 66 -6.558 -10.234 -12.147 1.00 0.00 C ATOM 944 O ALA A 66 -7.039 -10.524 -13.241 1.00 0.00 O ATOM 945 CB ALA A 66 -7.616 -8.269 -11.017 1.00 0.00 C ATOM 0 H ALA A 66 -6.707 -9.453 -9.063 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.428 -10.246 -11.125 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.020 -7.961 -11.981 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.300 -7.967 -10.224 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.647 -7.794 -10.861 1.00 0.00 H new ATOM 951 N GLY A 67 -5.254 -10.291 -11.892 1.00 0.00 N ATOM 952 CA GLY A 67 -4.315 -10.708 -12.917 1.00 0.00 C ATOM 953 C GLY A 67 -3.266 -9.652 -13.206 1.00 0.00 C ATOM 954 O GLY A 67 -2.758 -9.562 -14.323 1.00 0.00 O ATOM 0 H GLY A 67 -4.831 -10.056 -10.994 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.823 -11.628 -12.602 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.859 -10.935 -13.833 1.00 0.00 H new ATOM 958 N GLY A 68 -2.942 -8.849 -12.197 1.00 0.00 N ATOM 959 CA GLY A 68 -1.950 -7.804 -12.370 1.00 0.00 C ATOM 960 C GLY A 68 -0.579 -8.218 -11.873 1.00 0.00 C ATOM 961 O GLY A 68 -0.463 -9.043 -10.967 1.00 0.00 O ATOM 0 H GLY A 68 -3.349 -8.904 -11.263 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.886 -7.539 -13.425 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.272 -6.910 -11.836 1.00 0.00 H new ATOM 965 N ASP A 69 0.462 -7.646 -12.469 1.00 0.00 N ATOM 966 CA ASP A 69 1.832 -7.961 -12.082 1.00 0.00 C ATOM 967 C ASP A 69 2.553 -6.716 -11.575 1.00 0.00 C ATOM 968 O ASP A 69 2.081 -5.594 -11.759 1.00 0.00 O ATOM 969 CB ASP A 69 2.594 -8.560 -13.265 1.00 0.00 C ATOM 970 CG ASP A 69 2.650 -7.620 -14.453 1.00 0.00 C ATOM 971 OD1 ASP A 69 2.554 -6.393 -14.244 1.00 0.00 O ATOM 972 OD2 ASP A 69 2.791 -8.112 -15.592 1.00 0.00 O ATOM 0 H ASP A 69 0.383 -6.962 -13.222 1.00 0.00 H new ATOM 0 HA ASP A 69 1.796 -8.693 -11.275 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.609 -8.807 -12.952 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.117 -9.493 -13.566 1.00 0.00 H new ATOM 977 N LEU A 70 3.699 -6.922 -10.934 1.00 0.00 N ATOM 978 CA LEU A 70 4.485 -5.816 -10.399 1.00 0.00 C ATOM 979 C LEU A 70 4.605 -4.689 -11.419 1.00 0.00 C ATOM 980 O LEU A 70 4.346 -3.527 -11.108 1.00 0.00 O ATOM 981 CB LEU A 70 5.878 -6.304 -9.995 1.00 0.00 C ATOM 982 CG LEU A 70 6.662 -5.390 -9.053 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.004 -5.346 -7.682 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.106 -5.855 -8.938 1.00 0.00 C ATOM 0 H LEU A 70 4.104 -7.844 -10.772 1.00 0.00 H new ATOM 0 HA LEU A 70 3.971 -5.430 -9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.776 -7.280 -9.520 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.467 -6.450 -10.901 1.00 0.00 H new ATOM 0 HG LEU A 70 6.658 -4.382 -9.469 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.576 -4.691 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.987 -4.966 -7.779 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.977 -6.350 -7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.649 -5.193 -8.264 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.131 -6.872 -8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.574 -5.834 -9.922 1.00 0.00 H new ATOM 996 N ALA A 71 4.997 -5.041 -12.639 1.00 0.00 N ATOM 997 CA ALA A 71 5.147 -4.060 -13.707 1.00 0.00 C ATOM 998 C ALA A 71 4.002 -3.052 -13.691 1.00 0.00 C ATOM 999 O ALA A 71 4.224 -1.848 -13.568 1.00 0.00 O ATOM 1000 CB ALA A 71 5.220 -4.756 -15.058 1.00 0.00 C ATOM 0 H ALA A 71 5.217 -5.999 -12.913 1.00 0.00 H new ATOM 0 HA ALA A 71 6.077 -3.518 -13.540 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.332 -4.011 -15.846 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.075 -5.432 -15.073 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.305 -5.325 -15.224 1.00 0.00 H new ATOM 1006 N GLY A 72 2.777 -3.553 -13.816 1.00 0.00 N ATOM 1007 CA GLY A 72 1.616 -2.682 -13.814 1.00 0.00 C ATOM 1008 C GLY A 72 1.631 -1.698 -12.661 1.00 0.00 C ATOM 1009 O GLY A 72 1.348 -0.513 -12.843 1.00 0.00 O ATOM 0 H GLY A 72 2.568 -4.546 -13.919 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.576 -2.134 -14.755 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.711 -3.288 -13.759 1.00 0.00 H new ATOM 1013 N LEU A 73 1.961 -2.188 -11.471 1.00 0.00 N ATOM 1014 CA LEU A 73 2.011 -1.343 -10.283 1.00 0.00 C ATOM 1015 C LEU A 73 3.126 -0.309 -10.396 1.00 0.00 C ATOM 1016 O LEU A 73 2.900 0.887 -10.210 1.00 0.00 O ATOM 1017 CB LEU A 73 2.218 -2.200 -9.033 1.00 0.00 C ATOM 1018 CG LEU A 73 1.871 -1.536 -7.699 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.380 -1.248 -7.618 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.311 -2.413 -6.537 1.00 0.00 C ATOM 0 H LEU A 73 2.198 -3.166 -11.303 1.00 0.00 H new ATOM 0 HA LEU A 73 1.060 -0.816 -10.202 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.617 -3.104 -9.133 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.262 -2.513 -9.000 1.00 0.00 H new ATOM 0 HG LEU A 73 2.407 -0.589 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.152 -0.776 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.094 -0.580 -8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.176 -2.182 -7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.056 -1.925 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.804 -3.376 -6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.389 -2.567 -6.585 1.00 0.00 H new ATOM 1032 N LEU A 74 4.331 -0.778 -10.705 1.00 0.00 N ATOM 1033 CA LEU A 74 5.482 0.106 -10.845 1.00 0.00 C ATOM 1034 C LEU A 74 5.203 1.207 -11.864 1.00 0.00 C ATOM 1035 O LEU A 74 5.728 2.314 -11.754 1.00 0.00 O ATOM 1036 CB LEU A 74 6.716 -0.694 -11.267 1.00 0.00 C ATOM 1037 CG LEU A 74 7.322 -1.606 -10.200 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.310 -2.577 -10.826 1.00 0.00 C ATOM 1039 CD2 LEU A 74 7.998 -0.780 -9.115 1.00 0.00 C ATOM 0 H LEU A 74 4.535 -1.765 -10.863 1.00 0.00 H new ATOM 0 HA LEU A 74 5.671 0.571 -9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.451 -1.305 -12.130 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.483 0.007 -11.596 1.00 0.00 H new ATOM 0 HG LEU A 74 6.518 -2.183 -9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.731 -3.218 -10.051 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.797 -3.191 -11.566 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.111 -2.019 -11.310 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.424 -1.445 -8.364 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.791 -0.177 -9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.264 -0.125 -8.646 1.00 0.00 H new ATOM 1051 N GLU A 75 4.372 0.893 -12.853 1.00 0.00 N ATOM 1052 CA GLU A 75 4.022 1.857 -13.890 1.00 0.00 C ATOM 1053 C GLU A 75 3.041 2.897 -13.358 1.00 0.00 C ATOM 1054 O GLU A 75 3.118 4.075 -13.708 1.00 0.00 O ATOM 1055 CB GLU A 75 3.416 1.141 -15.099 1.00 0.00 C ATOM 1056 CG GLU A 75 2.468 2.009 -15.908 1.00 0.00 C ATOM 1057 CD GLU A 75 2.384 1.584 -17.362 1.00 0.00 C ATOM 1058 OE1 GLU A 75 1.724 0.563 -17.645 1.00 0.00 O ATOM 1059 OE2 GLU A 75 2.978 2.275 -18.216 1.00 0.00 O ATOM 0 H GLU A 75 3.929 -0.020 -12.958 1.00 0.00 H new ATOM 0 HA GLU A 75 4.934 2.368 -14.198 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.221 0.795 -15.747 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.881 0.256 -14.756 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.474 1.967 -15.463 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.797 3.047 -15.855 1.00 0.00 H new ATOM 1066 N ALA A 76 2.120 2.454 -12.509 1.00 0.00 N ATOM 1067 CA ALA A 76 1.125 3.346 -11.927 1.00 0.00 C ATOM 1068 C ALA A 76 1.761 4.288 -10.910 1.00 0.00 C ATOM 1069 O ALA A 76 1.515 5.495 -10.928 1.00 0.00 O ATOM 1070 CB ALA A 76 0.010 2.540 -11.277 1.00 0.00 C ATOM 0 H ALA A 76 2.042 1.482 -12.209 1.00 0.00 H new ATOM 0 HA ALA A 76 0.702 3.951 -12.729 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.726 3.219 -10.846 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.470 1.912 -12.028 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.427 1.911 -10.491 1.00 0.00 H new ATOM 1076 N LEU A 77 2.579 3.731 -10.024 1.00 0.00 N ATOM 1077 CA LEU A 77 3.250 4.522 -8.999 1.00 0.00 C ATOM 1078 C LEU A 77 4.012 5.687 -9.622 1.00 0.00 C ATOM 1079 O LEU A 77 3.935 6.819 -9.143 1.00 0.00 O ATOM 1080 CB LEU A 77 4.209 3.643 -8.195 1.00 0.00 C ATOM 1081 CG LEU A 77 3.561 2.584 -7.302 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.614 1.641 -6.741 1.00 0.00 C ATOM 1083 CD2 LEU A 77 2.778 3.243 -6.176 1.00 0.00 C ATOM 0 H LEU A 77 2.794 2.734 -9.995 1.00 0.00 H new ATOM 0 HA LEU A 77 2.489 4.925 -8.331 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.880 3.141 -8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.825 4.289 -7.570 1.00 0.00 H new ATOM 0 HG LEU A 77 2.867 2.001 -7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.134 0.895 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.131 1.143 -7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.333 2.209 -6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.324 2.475 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.451 3.851 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.997 3.876 -6.598 1.00 0.00 H new ATOM 1095 N SER A 78 4.745 5.403 -10.694 1.00 0.00 N ATOM 1096 CA SER A 78 5.522 6.427 -11.382 1.00 0.00 C ATOM 1097 C SER A 78 4.646 7.624 -11.740 1.00 0.00 C ATOM 1098 O SER A 78 4.892 8.744 -11.291 1.00 0.00 O ATOM 1099 CB SER A 78 6.159 5.850 -12.647 1.00 0.00 C ATOM 1100 OG SER A 78 6.962 6.817 -13.301 1.00 0.00 O ATOM 0 H SER A 78 4.817 4.472 -11.105 1.00 0.00 H new ATOM 0 HA SER A 78 6.310 6.764 -10.709 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.767 4.983 -12.389 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.379 5.502 -13.324 1.00 0.00 H new ATOM 0 HG SER A 78 7.359 6.423 -14.105 1.00 0.00 H new ATOM 1106 N ASP A 79 3.624 7.379 -12.553 1.00 0.00 N ATOM 1107 CA ASP A 79 2.710 8.435 -12.972 1.00 0.00 C ATOM 1108 C ASP A 79 2.309 9.308 -11.787 1.00 0.00 C ATOM 1109 O ASP A 79 2.222 10.530 -11.905 1.00 0.00 O ATOM 1110 CB ASP A 79 1.464 7.832 -13.623 1.00 0.00 C ATOM 1111 CG ASP A 79 0.797 8.788 -14.592 1.00 0.00 C ATOM 1112 OD1 ASP A 79 0.659 9.981 -14.249 1.00 0.00 O ATOM 1113 OD2 ASP A 79 0.413 8.344 -15.694 1.00 0.00 O ATOM 0 H ASP A 79 3.408 6.458 -12.935 1.00 0.00 H new ATOM 0 HA ASP A 79 3.225 9.059 -13.702 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.739 6.918 -14.150 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.752 7.551 -12.847 1.00 0.00 H new ATOM 1118 N MET A 80 2.064 8.672 -10.646 1.00 0.00 N ATOM 1119 CA MET A 80 1.671 9.392 -9.440 1.00 0.00 C ATOM 1120 C MET A 80 2.870 10.097 -8.813 1.00 0.00 C ATOM 1121 O MET A 80 2.723 11.126 -8.156 1.00 0.00 O ATOM 1122 CB MET A 80 1.044 8.430 -8.428 1.00 0.00 C ATOM 1123 CG MET A 80 -0.269 7.826 -8.898 1.00 0.00 C ATOM 1124 SD MET A 80 -1.077 6.842 -7.621 1.00 0.00 S ATOM 1125 CE MET A 80 -1.044 7.985 -6.242 1.00 0.00 C ATOM 0 H MET A 80 2.131 7.661 -10.531 1.00 0.00 H new ATOM 0 HA MET A 80 0.934 10.145 -9.720 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.750 7.626 -8.217 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.876 8.960 -7.491 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.940 8.625 -9.214 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.085 7.200 -9.771 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.781 7.680 -5.499 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.052 7.983 -5.791 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.279 8.989 -6.596 1.00 0.00 H new ATOM 1135 N GLY A 81 4.057 9.535 -9.021 1.00 0.00 N ATOM 1136 CA GLY A 81 5.263 10.124 -8.469 1.00 0.00 C ATOM 1137 C GLY A 81 5.701 9.451 -7.184 1.00 0.00 C ATOM 1138 O GLY A 81 6.510 9.997 -6.432 1.00 0.00 O ATOM 0 H GLY A 81 4.205 8.683 -9.562 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.066 10.056 -9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.093 11.184 -8.281 1.00 0.00 H new ATOM 1142 N LEU A 82 5.165 8.263 -6.927 1.00 0.00 N ATOM 1143 CA LEU A 82 5.504 7.514 -5.722 1.00 0.00 C ATOM 1144 C LEU A 82 6.792 6.721 -5.917 1.00 0.00 C ATOM 1145 O LEU A 82 6.825 5.511 -5.701 1.00 0.00 O ATOM 1146 CB LEU A 82 4.361 6.569 -5.347 1.00 0.00 C ATOM 1147 CG LEU A 82 3.052 7.234 -4.922 1.00 0.00 C ATOM 1148 CD1 LEU A 82 1.900 6.245 -5.003 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.173 7.800 -3.514 1.00 0.00 C ATOM 0 H LEU A 82 4.493 7.797 -7.537 1.00 0.00 H new ATOM 0 HA LEU A 82 5.658 8.227 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.156 5.922 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.699 5.927 -4.534 1.00 0.00 H new ATOM 0 HG LEU A 82 2.847 8.057 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.976 6.736 -4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.798 5.888 -6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.098 5.401 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.232 8.270 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.403 6.995 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.971 8.542 -3.487 1.00 0.00 H new ATOM 1161 N GLU A 83 7.851 7.414 -6.326 1.00 0.00 N ATOM 1162 CA GLU A 83 9.142 6.773 -6.548 1.00 0.00 C ATOM 1163 C GLU A 83 9.545 5.927 -5.344 1.00 0.00 C ATOM 1164 O GLU A 83 10.179 4.883 -5.490 1.00 0.00 O ATOM 1165 CB GLU A 83 10.217 7.825 -6.829 1.00 0.00 C ATOM 1166 CG GLU A 83 10.352 8.865 -5.729 1.00 0.00 C ATOM 1167 CD GLU A 83 10.958 10.163 -6.226 1.00 0.00 C ATOM 1168 OE1 GLU A 83 11.868 10.104 -7.079 1.00 0.00 O ATOM 1169 OE2 GLU A 83 10.524 11.238 -5.760 1.00 0.00 O ATOM 0 H GLU A 83 7.840 8.417 -6.510 1.00 0.00 H new ATOM 0 HA GLU A 83 9.049 6.118 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.176 7.325 -6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.984 8.329 -7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.370 9.067 -5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.971 8.463 -4.927 1.00 0.00 H new ATOM 1176 N GLU A 84 9.171 6.387 -4.154 1.00 0.00 N ATOM 1177 CA GLU A 84 9.494 5.673 -2.924 1.00 0.00 C ATOM 1178 C GLU A 84 9.237 4.177 -3.079 1.00 0.00 C ATOM 1179 O GLU A 84 10.151 3.363 -2.958 1.00 0.00 O ATOM 1180 CB GLU A 84 8.673 6.225 -1.757 1.00 0.00 C ATOM 1181 CG GLU A 84 9.371 6.108 -0.412 1.00 0.00 C ATOM 1182 CD GLU A 84 10.609 6.978 -0.320 1.00 0.00 C ATOM 1183 OE1 GLU A 84 10.465 8.185 -0.033 1.00 0.00 O ATOM 1184 OE2 GLU A 84 11.722 6.453 -0.534 1.00 0.00 O ATOM 0 H GLU A 84 8.645 7.250 -4.016 1.00 0.00 H new ATOM 0 HA GLU A 84 10.554 5.822 -2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.445 7.274 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.722 5.695 -1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.676 6.387 0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.649 5.068 -0.240 1.00 0.00 H new ATOM 1191 N GLY A 85 7.984 3.823 -3.348 1.00 0.00 N ATOM 1192 CA GLY A 85 7.627 2.426 -3.515 1.00 0.00 C ATOM 1193 C GLY A 85 8.405 1.759 -4.631 1.00 0.00 C ATOM 1194 O GLY A 85 8.937 0.662 -4.458 1.00 0.00 O ATOM 0 H GLY A 85 7.210 4.479 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.808 1.894 -2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.560 2.349 -3.724 1.00 0.00 H new ATOM 1198 N VAL A 86 8.471 2.421 -5.782 1.00 0.00 N ATOM 1199 CA VAL A 86 9.188 1.884 -6.933 1.00 0.00 C ATOM 1200 C VAL A 86 10.589 1.427 -6.542 1.00 0.00 C ATOM 1201 O VAL A 86 11.041 0.358 -6.953 1.00 0.00 O ATOM 1202 CB VAL A 86 9.297 2.926 -8.062 1.00 0.00 C ATOM 1203 CG1 VAL A 86 10.144 2.389 -9.205 1.00 0.00 C ATOM 1204 CG2 VAL A 86 7.913 3.323 -8.554 1.00 0.00 C ATOM 0 H VAL A 86 8.037 3.330 -5.942 1.00 0.00 H new ATOM 0 HA VAL A 86 8.616 1.028 -7.292 1.00 0.00 H new ATOM 0 HB VAL A 86 9.787 3.816 -7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.209 3.139 -9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.145 2.159 -8.839 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.686 1.484 -9.603 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.008 4.060 -9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.395 2.442 -8.934 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.343 3.752 -7.730 1.00 0.00 H new ATOM 1214 N ARG A 87 11.272 2.243 -5.746 1.00 0.00 N ATOM 1215 CA ARG A 87 12.622 1.923 -5.300 1.00 0.00 C ATOM 1216 C ARG A 87 12.615 0.712 -4.371 1.00 0.00 C ATOM 1217 O ARG A 87 13.474 -0.165 -4.471 1.00 0.00 O ATOM 1218 CB ARG A 87 13.244 3.124 -4.585 1.00 0.00 C ATOM 1219 CG ARG A 87 13.546 4.293 -5.508 1.00 0.00 C ATOM 1220 CD ARG A 87 13.765 5.578 -4.726 1.00 0.00 C ATOM 1221 NE ARG A 87 14.380 6.620 -5.545 1.00 0.00 N ATOM 1222 CZ ARG A 87 15.690 6.723 -5.741 1.00 0.00 C ATOM 1223 NH1 ARG A 87 16.518 5.854 -5.179 1.00 0.00 N ATOM 1224 NH2 ARG A 87 16.173 7.699 -6.499 1.00 0.00 N ATOM 0 H ARG A 87 10.912 3.131 -5.397 1.00 0.00 H new ATOM 0 HA ARG A 87 13.220 1.682 -6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.567 3.458 -3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.167 2.808 -4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.434 4.070 -6.100 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.721 4.428 -6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.810 5.936 -4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.399 5.374 -3.863 1.00 0.00 H new ATOM 0 HE ARG A 87 13.770 7.306 -5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.150 5.104 -4.594 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.523 5.936 -5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.539 8.370 -6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.179 7.778 -6.649 1.00 0.00 H new ATOM 1238 N LEU A 88 11.642 0.672 -3.468 1.00 0.00 N ATOM 1239 CA LEU A 88 11.523 -0.431 -2.520 1.00 0.00 C ATOM 1240 C LEU A 88 11.234 -1.742 -3.244 1.00 0.00 C ATOM 1241 O LEU A 88 12.000 -2.702 -3.143 1.00 0.00 O ATOM 1242 CB LEU A 88 10.415 -0.141 -1.506 1.00 0.00 C ATOM 1243 CG LEU A 88 10.528 -0.863 -0.163 1.00 0.00 C ATOM 1244 CD1 LEU A 88 9.477 -0.350 0.809 1.00 0.00 C ATOM 1245 CD2 LEU A 88 10.393 -2.367 -0.354 1.00 0.00 C ATOM 0 H LEU A 88 10.924 1.390 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 88 12.472 -0.529 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.394 0.932 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.459 -0.404 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 88 11.512 -0.657 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.573 -0.875 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.620 0.719 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.483 -0.525 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.476 -2.865 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.423 -2.592 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.184 -2.722 -1.015 1.00 0.00 H new ATOM 1257 N LEU A 89 10.126 -1.776 -3.976 1.00 0.00 N ATOM 1258 CA LEU A 89 9.737 -2.969 -4.720 1.00 0.00 C ATOM 1259 C LEU A 89 10.908 -3.511 -5.532 1.00 0.00 C ATOM 1260 O LEU A 89 11.200 -4.707 -5.499 1.00 0.00 O ATOM 1261 CB LEU A 89 8.561 -2.655 -5.647 1.00 0.00 C ATOM 1262 CG LEU A 89 7.300 -2.115 -4.972 1.00 0.00 C ATOM 1263 CD1 LEU A 89 6.514 -1.237 -5.933 1.00 0.00 C ATOM 1264 CD2 LEU A 89 6.435 -3.260 -4.464 1.00 0.00 C ATOM 0 H LEU A 89 9.481 -0.991 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 89 9.433 -3.731 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.892 -1.927 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.298 -3.564 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 89 7.600 -1.506 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.620 -0.862 -5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.133 -0.397 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.224 -1.822 -6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.542 -2.857 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.144 -3.895 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.999 -3.849 -3.741 1.00 0.00 H new ATOM 1276 N ARG A 90 11.578 -2.623 -6.260 1.00 0.00 N ATOM 1277 CA ARG A 90 12.719 -3.012 -7.080 1.00 0.00 C ATOM 1278 C ARG A 90 13.845 -3.570 -6.215 1.00 0.00 C ATOM 1279 O ARG A 90 14.598 -4.443 -6.645 1.00 0.00 O ATOM 1280 CB ARG A 90 13.226 -1.816 -7.887 1.00 0.00 C ATOM 1281 CG ARG A 90 12.375 -1.498 -9.105 1.00 0.00 C ATOM 1282 CD ARG A 90 13.133 -0.639 -10.106 1.00 0.00 C ATOM 1283 NE ARG A 90 14.054 -1.428 -10.918 1.00 0.00 N ATOM 1284 CZ ARG A 90 14.887 -0.900 -11.807 1.00 0.00 C ATOM 1285 NH1 ARG A 90 14.914 0.412 -11.998 1.00 0.00 N ATOM 1286 NH2 ARG A 90 15.696 -1.685 -12.509 1.00 0.00 N ATOM 0 H ARG A 90 11.350 -1.630 -6.298 1.00 0.00 H new ATOM 0 HA ARG A 90 12.391 -3.792 -7.767 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.260 -0.940 -7.239 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.248 -2.014 -8.210 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.062 -2.426 -9.584 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.469 -0.980 -8.792 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.423 -0.128 -10.756 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.689 0.133 -9.574 1.00 0.00 H new ATOM 0 HE ARG A 90 14.058 -2.441 -10.796 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.294 1.018 -11.461 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.555 0.815 -12.682 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.678 -2.695 -12.366 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.335 -1.278 -13.192 1.00 0.00 H new