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 Set 1.1: A 49 TYR OH : rot 50:sc= -1.49 USER MOD Set 1.2: A 62 SER OG : rot 170:sc= 0 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= -0.144 K(o=-0.14,f=-2.2!) USER MOD Single : A 19 ASN : amide:sc= -0.0435 X(o=-0.044,f=-0.048) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -5.62! C(o=-5.6!,f=-7.4!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0915 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 51 GLN : amide:sc= -0.0854 K(o=-0.085,f=-1.7!) USER MOD Single : A 52 THR OG1 : rot -25:sc= 1.21 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.022 USER MOD Single : A 54 SER OG : rot 49:sc= 0.443 USER MOD Single : A 56 SER OG : rot -149:sc= -1.13 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -170:sc= 1.15 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 170:sc= -3.72! (180deg=-3.87!) USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 10 2.049 -12.944 -6.284 1.00 0.00 N ATOM 88 CA LEU A 10 2.989 -11.851 -6.504 1.00 0.00 C ATOM 89 C LEU A 10 4.382 -12.221 -6.004 1.00 0.00 C ATOM 90 O LEU A 10 4.530 -12.817 -4.937 1.00 0.00 O ATOM 91 CB LEU A 10 2.502 -10.583 -5.801 1.00 0.00 C ATOM 92 CG LEU A 10 1.366 -9.827 -6.490 1.00 0.00 C ATOM 93 CD1 LEU A 10 1.015 -8.567 -5.714 1.00 0.00 C ATOM 94 CD2 LEU A 10 1.747 -9.483 -7.923 1.00 0.00 C ATOM 0 HA LEU A 10 3.046 -11.665 -7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.176 -10.851 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.348 -9.905 -5.691 1.00 0.00 H new ATOM 0 HG LEU A 10 0.488 -10.472 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.204 -8.042 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.700 -8.836 -4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.889 -7.918 -5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.927 -8.945 -8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.639 -8.857 -7.922 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.948 -10.400 -8.476 1.00 0.00 H new ATOM 106 N SER A 11 5.399 -11.862 -6.780 1.00 0.00 N ATOM 107 CA SER A 11 6.780 -12.158 -6.417 1.00 0.00 C ATOM 108 C SER A 11 7.312 -11.130 -5.423 1.00 0.00 C ATOM 109 O SER A 11 8.352 -10.511 -5.649 1.00 0.00 O ATOM 110 CB SER A 11 7.664 -12.183 -7.665 1.00 0.00 C ATOM 111 OG SER A 11 8.764 -13.060 -7.494 1.00 0.00 O ATOM 0 H SER A 11 5.293 -11.365 -7.665 1.00 0.00 H new ATOM 0 HA SER A 11 6.803 -13.140 -5.945 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.074 -12.498 -8.526 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.026 -11.177 -7.878 1.00 0.00 H new ATOM 0 HG SER A 11 9.312 -13.059 -8.306 1.00 0.00 H new ATOM 117 N LEU A 12 6.591 -10.953 -4.321 1.00 0.00 N ATOM 118 CA LEU A 12 6.989 -10.001 -3.291 1.00 0.00 C ATOM 119 C LEU A 12 7.242 -10.708 -1.963 1.00 0.00 C ATOM 120 O LEU A 12 6.895 -11.877 -1.795 1.00 0.00 O ATOM 121 CB LEU A 12 5.910 -8.931 -3.114 1.00 0.00 C ATOM 122 CG LEU A 12 5.734 -7.956 -4.279 1.00 0.00 C ATOM 123 CD1 LEU A 12 4.410 -7.217 -4.160 1.00 0.00 C ATOM 124 CD2 LEU A 12 6.893 -6.973 -4.331 1.00 0.00 C ATOM 0 H LEU A 12 5.728 -11.457 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 12 7.916 -9.525 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.957 -9.430 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.140 -8.356 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 12 5.726 -8.526 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.302 -6.528 -4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.590 -7.935 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.388 -6.658 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.751 -6.287 -5.166 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.933 -6.408 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.827 -7.519 -4.465 1.00 0.00 H new ATOM 136 N GLY A 13 7.848 -9.991 -1.022 1.00 0.00 N ATOM 137 CA GLY A 13 8.135 -10.566 0.279 1.00 0.00 C ATOM 138 C GLY A 13 7.377 -9.879 1.397 1.00 0.00 C ATOM 139 O GLY A 13 7.023 -8.705 1.286 1.00 0.00 O ATOM 0 H GLY A 13 8.145 -9.022 -1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.879 -11.626 0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.205 -10.498 0.475 1.00 0.00 H new ATOM 143 N ASP A 14 7.124 -10.611 2.476 1.00 0.00 N ATOM 144 CA ASP A 14 6.402 -10.065 3.619 1.00 0.00 C ATOM 145 C ASP A 14 6.885 -8.656 3.944 1.00 0.00 C ATOM 146 O ASP A 14 6.110 -7.699 3.914 1.00 0.00 O ATOM 147 CB ASP A 14 6.574 -10.972 4.839 1.00 0.00 C ATOM 148 CG ASP A 14 5.539 -12.078 4.889 1.00 0.00 C ATOM 149 OD1 ASP A 14 4.343 -11.780 4.694 1.00 0.00 O ATOM 150 OD2 ASP A 14 5.926 -13.242 5.126 1.00 0.00 O ATOM 0 H ASP A 14 7.408 -11.585 2.583 1.00 0.00 H new ATOM 0 HA ASP A 14 5.344 -10.016 3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.571 -11.412 4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.505 -10.372 5.747 1.00 0.00 H new ATOM 155 N THR A 15 8.171 -8.534 4.258 1.00 0.00 N ATOM 156 CA THR A 15 8.758 -7.242 4.591 1.00 0.00 C ATOM 157 C THR A 15 8.426 -6.198 3.532 1.00 0.00 C ATOM 158 O THR A 15 7.896 -5.131 3.842 1.00 0.00 O ATOM 159 CB THR A 15 10.288 -7.341 4.737 1.00 0.00 C ATOM 160 OG1 THR A 15 10.626 -8.377 5.665 1.00 0.00 O ATOM 161 CG2 THR A 15 10.873 -6.018 5.210 1.00 0.00 C ATOM 0 H THR A 15 8.826 -9.315 4.289 1.00 0.00 H new ATOM 0 HA THR A 15 8.329 -6.936 5.545 1.00 0.00 H new ATOM 0 HB THR A 15 10.709 -7.578 3.760 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.601 -8.434 5.751 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.955 -6.112 5.306 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.639 -5.237 4.486 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.444 -5.756 6.177 1.00 0.00 H new ATOM 169 N ALA A 16 8.740 -6.511 2.279 1.00 0.00 N ATOM 170 CA ALA A 16 8.472 -5.601 1.173 1.00 0.00 C ATOM 171 C ALA A 16 7.052 -5.050 1.247 1.00 0.00 C ATOM 172 O ALA A 16 6.848 -3.837 1.311 1.00 0.00 O ATOM 173 CB ALA A 16 8.699 -6.304 -0.157 1.00 0.00 C ATOM 0 H ALA A 16 9.181 -7.389 2.005 1.00 0.00 H new ATOM 0 HA ALA A 16 9.164 -4.762 1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.495 -5.612 -0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.733 -6.642 -0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.032 -7.162 -0.233 1.00 0.00 H new ATOM 179 N LEU A 17 6.073 -5.948 1.237 1.00 0.00 N ATOM 180 CA LEU A 17 4.671 -5.551 1.302 1.00 0.00 C ATOM 181 C LEU A 17 4.427 -4.601 2.470 1.00 0.00 C ATOM 182 O LEU A 17 4.041 -3.449 2.274 1.00 0.00 O ATOM 183 CB LEU A 17 3.777 -6.786 1.440 1.00 0.00 C ATOM 184 CG LEU A 17 3.524 -7.577 0.156 1.00 0.00 C ATOM 185 CD1 LEU A 17 2.731 -8.840 0.456 1.00 0.00 C ATOM 186 CD2 LEU A 17 2.794 -6.717 -0.865 1.00 0.00 C ATOM 0 H LEU A 17 6.224 -6.955 1.185 1.00 0.00 H new ATOM 0 HA LEU A 17 4.423 -5.031 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.227 -7.456 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.815 -6.471 1.844 1.00 0.00 H new ATOM 0 HG LEU A 17 4.486 -7.867 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.560 -9.391 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.291 -9.465 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.773 -8.571 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.622 -7.296 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.837 -6.396 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.399 -5.842 -1.102 1.00 0.00 H new ATOM 198 N GLN A 18 4.657 -5.091 3.683 1.00 0.00 N ATOM 199 CA GLN A 18 4.464 -4.284 4.882 1.00 0.00 C ATOM 200 C GLN A 18 4.882 -2.838 4.638 1.00 0.00 C ATOM 201 O GLN A 18 4.165 -1.905 5.000 1.00 0.00 O ATOM 202 CB GLN A 18 5.263 -4.867 6.050 1.00 0.00 C ATOM 203 CG GLN A 18 4.516 -5.945 6.819 1.00 0.00 C ATOM 204 CD GLN A 18 3.694 -5.384 7.961 1.00 0.00 C ATOM 205 OE1 GLN A 18 3.789 -4.200 8.286 1.00 0.00 O ATOM 206 NE2 GLN A 18 2.880 -6.232 8.579 1.00 0.00 N ATOM 0 H GLN A 18 4.977 -6.043 3.862 1.00 0.00 H new ATOM 0 HA GLN A 18 3.403 -4.300 5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.196 -5.284 5.670 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.530 -4.062 6.735 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.861 -6.485 6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.231 -6.667 7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.832 -7.205 8.277 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.302 -5.910 9.356 1.00 0.00 H new ATOM 215 N ASN A 19 6.046 -2.659 4.022 1.00 0.00 N ATOM 216 CA ASN A 19 6.559 -1.325 3.729 1.00 0.00 C ATOM 217 C ASN A 19 5.665 -0.606 2.724 1.00 0.00 C ATOM 218 O ASN A 19 5.048 0.412 3.041 1.00 0.00 O ATOM 219 CB ASN A 19 7.987 -1.413 3.187 1.00 0.00 C ATOM 220 CG ASN A 19 9.003 -1.697 4.277 1.00 0.00 C ATOM 221 OD1 ASN A 19 9.084 -0.973 5.269 1.00 0.00 O ATOM 222 ND2 ASN A 19 9.784 -2.756 4.096 1.00 0.00 N ATOM 0 H ASN A 19 6.652 -3.420 3.716 1.00 0.00 H new ATOM 0 HA ASN A 19 6.564 -0.753 4.657 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.039 -2.198 2.433 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.243 -0.477 2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.486 -2.997 4.795 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.681 -3.328 3.258 1.00 0.00 H new ATOM 229 N LEU A 20 5.597 -1.143 1.511 1.00 0.00 N ATOM 230 CA LEU A 20 4.778 -0.554 0.458 1.00 0.00 C ATOM 231 C LEU A 20 3.424 -0.113 1.004 1.00 0.00 C ATOM 232 O LEU A 20 2.979 1.007 0.756 1.00 0.00 O ATOM 233 CB LEU A 20 4.579 -1.555 -0.682 1.00 0.00 C ATOM 234 CG LEU A 20 4.357 -0.955 -2.071 1.00 0.00 C ATOM 235 CD1 LEU A 20 2.925 -0.467 -2.219 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.338 0.180 -2.325 1.00 0.00 C ATOM 0 H LEU A 20 6.100 -1.986 1.232 1.00 0.00 H new ATOM 0 HA LEU A 20 5.299 0.324 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.453 -2.205 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.724 -2.186 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 20 4.532 -1.733 -2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.786 -0.043 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.240 -1.303 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.721 0.296 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.165 0.595 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.195 0.959 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.358 -0.200 -2.263 1.00 0.00 H new ATOM 248 N GLU A 21 2.775 -1.001 1.751 1.00 0.00 N ATOM 249 CA GLU A 21 1.472 -0.701 2.334 1.00 0.00 C ATOM 250 C GLU A 21 1.466 0.686 2.970 1.00 0.00 C ATOM 251 O GLU A 21 0.761 1.585 2.514 1.00 0.00 O ATOM 252 CB GLU A 21 1.102 -1.756 3.379 1.00 0.00 C ATOM 253 CG GLU A 21 0.551 -3.039 2.781 1.00 0.00 C ATOM 254 CD GLU A 21 0.245 -4.088 3.832 1.00 0.00 C ATOM 255 OE1 GLU A 21 -0.504 -3.777 4.781 1.00 0.00 O ATOM 256 OE2 GLU A 21 0.755 -5.221 3.704 1.00 0.00 O ATOM 0 H GLU A 21 3.130 -1.933 1.967 1.00 0.00 H new ATOM 0 HA GLU A 21 0.732 -0.717 1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.985 -1.992 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.362 -1.336 4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.357 -2.814 2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.271 -3.442 2.069 1.00 0.00 H new ATOM 263 N GLN A 22 2.257 0.849 4.026 1.00 0.00 N ATOM 264 CA GLN A 22 2.342 2.126 4.725 1.00 0.00 C ATOM 265 C GLN A 22 2.782 3.237 3.778 1.00 0.00 C ATOM 266 O GLN A 22 2.195 4.320 3.760 1.00 0.00 O ATOM 267 CB GLN A 22 3.318 2.024 5.899 1.00 0.00 C ATOM 268 CG GLN A 22 2.819 1.139 7.030 1.00 0.00 C ATOM 269 CD GLN A 22 1.830 1.848 7.933 1.00 0.00 C ATOM 270 OE1 GLN A 22 2.189 2.777 8.657 1.00 0.00 O ATOM 271 NE2 GLN A 22 0.576 1.412 7.896 1.00 0.00 N ATOM 0 H GLN A 22 2.847 0.114 4.416 1.00 0.00 H new ATOM 0 HA GLN A 22 1.350 2.370 5.106 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.269 1.635 5.537 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.510 3.024 6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.349 0.250 6.610 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.669 0.800 7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.323 0.639 7.281 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.134 1.850 8.483 1.00 0.00 H new ATOM 280 N LEU A 23 3.818 2.963 2.993 1.00 0.00 N ATOM 281 CA LEU A 23 4.337 3.941 2.042 1.00 0.00 C ATOM 282 C LEU A 23 3.200 4.668 1.332 1.00 0.00 C ATOM 283 O LEU A 23 3.366 5.794 0.863 1.00 0.00 O ATOM 284 CB LEU A 23 5.238 3.253 1.015 1.00 0.00 C ATOM 285 CG LEU A 23 6.721 3.161 1.378 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.422 2.137 0.499 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.387 4.523 1.249 1.00 0.00 C ATOM 0 H LEU A 23 4.315 2.072 2.996 1.00 0.00 H new ATOM 0 HA LEU A 23 4.922 4.675 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.862 2.243 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.149 3.786 0.068 1.00 0.00 H new ATOM 0 HG LEU A 23 6.803 2.836 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.476 2.085 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.962 1.159 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.331 2.432 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.442 4.439 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.295 4.877 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.902 5.231 1.921 1.00 0.00 H new ATOM 299 N LEU A 24 2.044 4.017 1.259 1.00 0.00 N ATOM 300 CA LEU A 24 0.876 4.602 0.608 1.00 0.00 C ATOM 301 C LEU A 24 -0.061 5.231 1.634 1.00 0.00 C ATOM 302 O LEU A 24 -0.663 6.275 1.382 1.00 0.00 O ATOM 303 CB LEU A 24 0.129 3.537 -0.196 1.00 0.00 C ATOM 304 CG LEU A 24 0.740 3.166 -1.548 1.00 0.00 C ATOM 305 CD1 LEU A 24 0.276 1.784 -1.982 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.380 4.205 -2.600 1.00 0.00 C ATOM 0 H LEU A 24 1.890 3.084 1.642 1.00 0.00 H new ATOM 0 HA LEU A 24 1.221 5.384 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.062 2.634 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.890 3.885 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 24 1.825 3.147 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.721 1.537 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.585 1.047 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.810 1.776 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.823 3.924 -3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.704 4.257 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.762 5.179 -2.295 1.00 0.00 H new ATOM 318 N ASP A 25 -0.177 4.591 2.792 1.00 0.00 N ATOM 319 CA ASP A 25 -1.038 5.090 3.858 1.00 0.00 C ATOM 320 C ASP A 25 -0.266 6.016 4.792 1.00 0.00 C ATOM 321 O ASP A 25 0.516 5.563 5.626 1.00 0.00 O ATOM 322 CB ASP A 25 -1.630 3.924 4.652 1.00 0.00 C ATOM 323 CG ASP A 25 -2.273 4.374 5.949 1.00 0.00 C ATOM 324 OD1 ASP A 25 -3.379 4.953 5.894 1.00 0.00 O ATOM 325 OD2 ASP A 25 -1.671 4.146 7.019 1.00 0.00 O ATOM 0 H ASP A 25 0.314 3.726 3.017 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.848 5.658 3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.373 3.412 4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.844 3.201 4.871 1.00 0.00 H new ATOM 330 N GLY A 26 -0.490 7.319 4.644 1.00 0.00 N ATOM 331 CA GLY A 26 0.193 8.289 5.479 1.00 0.00 C ATOM 332 C GLY A 26 0.048 9.706 4.960 1.00 0.00 C ATOM 333 O GLY A 26 -0.086 9.938 3.758 1.00 0.00 O ATOM 0 H GLY A 26 -1.133 7.719 3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.204 8.234 6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.251 8.033 5.537 1.00 0.00 H new ATOM 337 N PRO A 27 0.071 10.682 5.879 1.00 0.00 N ATOM 338 CA PRO A 27 -0.058 12.100 5.531 1.00 0.00 C ATOM 339 C PRO A 27 1.166 12.631 4.793 1.00 0.00 C ATOM 340 O PRO A 27 1.070 13.577 4.013 1.00 0.00 O ATOM 341 CB PRO A 27 -0.203 12.788 6.891 1.00 0.00 C ATOM 342 CG PRO A 27 0.463 11.867 7.853 1.00 0.00 C ATOM 343 CD PRO A 27 0.227 10.477 7.329 1.00 0.00 C ATOM 0 HA PRO A 27 -0.895 12.279 4.856 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.270 13.770 6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.251 12.939 7.149 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.529 12.081 7.924 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.048 11.982 8.854 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.063 9.815 7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.663 10.027 7.769 1.00 0.00 H new ATOM 351 N GLU A 28 2.317 12.014 5.046 1.00 0.00 N ATOM 352 CA GLU A 28 3.560 12.426 4.405 1.00 0.00 C ATOM 353 C GLU A 28 3.667 11.842 2.999 1.00 0.00 C ATOM 354 O GLU A 28 4.186 12.485 2.087 1.00 0.00 O ATOM 355 CB GLU A 28 4.762 11.986 5.244 1.00 0.00 C ATOM 356 CG GLU A 28 6.004 12.832 5.019 1.00 0.00 C ATOM 357 CD GLU A 28 5.836 14.257 5.510 1.00 0.00 C ATOM 358 OE1 GLU A 28 5.444 14.437 6.683 1.00 0.00 O ATOM 359 OE2 GLU A 28 6.095 15.191 4.723 1.00 0.00 O ATOM 0 H GLU A 28 2.414 11.228 5.689 1.00 0.00 H new ATOM 0 HA GLU A 28 3.557 13.513 4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.492 12.026 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.994 10.946 5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.850 12.373 5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.243 12.844 3.956 1.00 0.00 H new ATOM 366 N ALA A 29 3.172 10.620 2.833 1.00 0.00 N ATOM 367 CA ALA A 29 3.210 9.950 1.539 1.00 0.00 C ATOM 368 C ALA A 29 2.611 10.830 0.447 1.00 0.00 C ATOM 369 O ALA A 29 1.429 10.714 0.123 1.00 0.00 O ATOM 370 CB ALA A 29 2.473 8.621 1.611 1.00 0.00 C ATOM 0 H ALA A 29 2.740 10.074 3.578 1.00 0.00 H new ATOM 0 HA ALA A 29 4.253 9.762 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.509 8.132 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.947 7.982 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.434 8.796 1.891 1.00 0.00 H new ATOM 376 N GLN A 30 3.433 11.711 -0.115 1.00 0.00 N ATOM 377 CA GLN A 30 2.983 12.611 -1.169 1.00 0.00 C ATOM 378 C GLN A 30 1.935 11.938 -2.050 1.00 0.00 C ATOM 379 O GLN A 30 0.988 12.578 -2.504 1.00 0.00 O ATOM 380 CB GLN A 30 4.169 13.065 -2.022 1.00 0.00 C ATOM 381 CG GLN A 30 5.185 11.965 -2.285 1.00 0.00 C ATOM 382 CD GLN A 30 4.904 11.205 -3.567 1.00 0.00 C ATOM 383 OE1 GLN A 30 3.808 11.287 -4.123 1.00 0.00 O ATOM 384 NE2 GLN A 30 5.894 10.459 -4.042 1.00 0.00 N ATOM 0 H GLN A 30 4.414 11.820 0.143 1.00 0.00 H new ATOM 0 HA GLN A 30 2.529 13.483 -0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.798 13.441 -2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.667 13.897 -1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.182 12.402 -2.337 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.186 11.268 -1.447 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.786 10.421 -3.548 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.763 9.924 -4.901 1.00 0.00 H new ATOM 393 N GLY A 31 2.114 10.642 -2.287 1.00 0.00 N ATOM 394 CA GLY A 31 1.176 9.903 -3.113 1.00 0.00 C ATOM 395 C GLY A 31 0.007 9.357 -2.317 1.00 0.00 C ATOM 396 O GLY A 31 -0.360 9.912 -1.282 1.00 0.00 O ATOM 0 H GLY A 31 2.891 10.091 -1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.801 10.554 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.697 9.078 -3.600 1.00 0.00 H new ATOM 400 N SER A 32 -0.580 8.268 -2.803 1.00 0.00 N ATOM 401 CA SER A 32 -1.718 7.650 -2.132 1.00 0.00 C ATOM 402 C SER A 32 -2.098 6.336 -2.808 1.00 0.00 C ATOM 403 O SER A 32 -1.630 6.031 -3.905 1.00 0.00 O ATOM 404 CB SER A 32 -2.915 8.602 -2.133 1.00 0.00 C ATOM 405 OG SER A 32 -3.966 8.100 -1.324 1.00 0.00 O ATOM 0 H SER A 32 -0.287 7.796 -3.658 1.00 0.00 H new ATOM 0 HA SER A 32 -1.431 7.439 -1.102 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.606 9.581 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.272 8.742 -3.153 1.00 0.00 H new ATOM 0 HG SER A 32 -4.719 8.727 -1.340 1.00 0.00 H new ATOM 411 N TRP A 33 -2.949 5.562 -2.144 1.00 0.00 N ATOM 412 CA TRP A 33 -3.393 4.280 -2.680 1.00 0.00 C ATOM 413 C TRP A 33 -4.687 4.439 -3.471 1.00 0.00 C ATOM 414 O TRP A 33 -4.846 3.853 -4.541 1.00 0.00 O ATOM 415 CB TRP A 33 -3.594 3.273 -1.546 1.00 0.00 C ATOM 416 CG TRP A 33 -4.536 3.753 -0.485 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.237 4.569 0.569 1.00 0.00 C ATOM 418 CD2 TRP A 33 -5.930 3.446 -0.373 1.00 0.00 C ATOM 419 NE1 TRP A 33 -5.361 4.787 1.329 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.413 4.110 0.772 1.00 0.00 C ATOM 421 CE3 TRP A 33 -6.818 2.676 -1.129 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -7.742 4.025 1.176 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -8.137 2.592 -0.727 1.00 0.00 C ATOM 424 CH2 TRP A 33 -8.589 3.264 0.417 1.00 0.00 C ATOM 0 H TRP A 33 -3.345 5.799 -1.234 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.621 3.909 -3.354 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.972 2.339 -1.962 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.628 3.051 -1.091 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.261 4.982 0.775 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.405 5.360 2.172 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.479 2.155 -2.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.093 4.541 2.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -8.831 1.999 -1.304 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -9.626 3.180 0.705 1.00 0.00 H new ATOM 435 N ALA A 34 -5.608 5.234 -2.937 1.00 0.00 N ATOM 436 CA ALA A 34 -6.887 5.471 -3.594 1.00 0.00 C ATOM 437 C ALA A 34 -6.699 5.718 -5.087 1.00 0.00 C ATOM 438 O ALA A 34 -7.239 4.990 -5.919 1.00 0.00 O ATOM 439 CB ALA A 34 -7.602 6.649 -2.949 1.00 0.00 C ATOM 0 H ALA A 34 -5.492 5.725 -2.051 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.500 4.578 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.556 6.814 -3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.778 6.435 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.985 7.543 -3.039 1.00 0.00 H new ATOM 445 N GLU A 35 -5.930 6.751 -5.420 1.00 0.00 N ATOM 446 CA GLU A 35 -5.672 7.093 -6.813 1.00 0.00 C ATOM 447 C GLU A 35 -4.939 5.961 -7.526 1.00 0.00 C ATOM 448 O GLU A 35 -5.251 5.626 -8.670 1.00 0.00 O ATOM 449 CB GLU A 35 -4.852 8.382 -6.902 1.00 0.00 C ATOM 450 CG GLU A 35 -4.650 8.878 -8.324 1.00 0.00 C ATOM 451 CD GLU A 35 -5.767 9.794 -8.786 1.00 0.00 C ATOM 452 OE1 GLU A 35 -6.766 9.281 -9.333 1.00 0.00 O ATOM 453 OE2 GLU A 35 -5.642 11.023 -8.602 1.00 0.00 O ATOM 0 H GLU A 35 -5.476 7.365 -4.744 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.632 7.247 -7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.349 9.160 -6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.878 8.215 -6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.700 9.408 -8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.584 8.023 -8.997 1.00 0.00 H new ATOM 460 N LEU A 36 -3.963 5.374 -6.843 1.00 0.00 N ATOM 461 CA LEU A 36 -3.183 4.279 -7.409 1.00 0.00 C ATOM 462 C LEU A 36 -4.096 3.176 -7.936 1.00 0.00 C ATOM 463 O LEU A 36 -4.037 2.817 -9.112 1.00 0.00 O ATOM 464 CB LEU A 36 -2.230 3.708 -6.358 1.00 0.00 C ATOM 465 CG LEU A 36 -1.839 2.240 -6.533 1.00 0.00 C ATOM 466 CD1 LEU A 36 -0.854 2.083 -7.680 1.00 0.00 C ATOM 467 CD2 LEU A 36 -1.251 1.687 -5.243 1.00 0.00 C ATOM 0 H LEU A 36 -3.693 5.638 -5.896 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.601 4.673 -8.242 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.320 4.308 -6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.690 3.826 -5.377 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.737 1.671 -6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.587 1.032 -7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.311 2.439 -8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.044 2.665 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.979 0.641 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.364 2.259 -4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.989 1.764 -4.445 1.00 0.00 H new ATOM 479 N ALA A 37 -4.941 2.645 -7.059 1.00 0.00 N ATOM 480 CA ALA A 37 -5.870 1.587 -7.437 1.00 0.00 C ATOM 481 C ALA A 37 -6.618 1.944 -8.717 1.00 0.00 C ATOM 482 O ALA A 37 -6.682 1.146 -9.651 1.00 0.00 O ATOM 483 CB ALA A 37 -6.852 1.319 -6.306 1.00 0.00 C ATOM 0 H ALA A 37 -5.002 2.930 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.294 0.681 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.540 0.527 -6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.305 1.011 -5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.415 2.227 -6.090 1.00 0.00 H new ATOM 489 N GLU A 38 -7.181 3.148 -8.751 1.00 0.00 N ATOM 490 CA GLU A 38 -7.926 3.609 -9.917 1.00 0.00 C ATOM 491 C GLU A 38 -7.115 3.409 -11.194 1.00 0.00 C ATOM 492 O GLU A 38 -7.647 2.987 -12.221 1.00 0.00 O ATOM 493 CB GLU A 38 -8.298 5.084 -9.762 1.00 0.00 C ATOM 494 CG GLU A 38 -9.212 5.360 -8.579 1.00 0.00 C ATOM 495 CD GLU A 38 -9.938 6.686 -8.700 1.00 0.00 C ATOM 496 OE1 GLU A 38 -10.735 6.842 -9.649 1.00 0.00 O ATOM 497 OE2 GLU A 38 -9.710 7.566 -7.844 1.00 0.00 O ATOM 0 H GLU A 38 -7.135 3.821 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.839 3.018 -9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.386 5.670 -9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.786 5.425 -10.675 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.943 4.556 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.624 5.354 -7.661 1.00 0.00 H new ATOM 504 N ARG A 39 -5.824 3.718 -11.123 1.00 0.00 N ATOM 505 CA ARG A 39 -4.939 3.575 -12.273 1.00 0.00 C ATOM 506 C ARG A 39 -4.835 2.114 -12.700 1.00 0.00 C ATOM 507 O ARG A 39 -4.764 1.808 -13.891 1.00 0.00 O ATOM 508 CB ARG A 39 -3.549 4.121 -11.944 1.00 0.00 C ATOM 509 CG ARG A 39 -3.526 5.621 -11.700 1.00 0.00 C ATOM 510 CD ARG A 39 -2.127 6.192 -11.871 1.00 0.00 C ATOM 511 NE ARG A 39 -2.153 7.613 -12.209 1.00 0.00 N ATOM 512 CZ ARG A 39 -2.617 8.086 -13.360 1.00 0.00 C ATOM 513 NH1 ARG A 39 -3.090 7.255 -14.279 1.00 0.00 N ATOM 514 NH2 ARG A 39 -2.607 9.392 -13.594 1.00 0.00 N ATOM 0 H ARG A 39 -5.368 4.069 -10.281 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.361 4.148 -13.099 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.168 3.612 -11.059 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.871 3.884 -12.764 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.208 6.114 -12.392 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.886 5.832 -10.693 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.562 6.049 -10.950 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.605 5.643 -12.654 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.795 8.278 -11.524 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.098 6.250 -14.103 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.446 7.620 -15.162 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.243 10.034 -12.890 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.964 9.754 -14.478 1.00 0.00 H new ATOM 528 N LEU A 40 -4.826 1.215 -11.722 1.00 0.00 N ATOM 529 CA LEU A 40 -4.731 -0.214 -11.996 1.00 0.00 C ATOM 530 C LEU A 40 -6.055 -0.758 -12.522 1.00 0.00 C ATOM 531 O LEU A 40 -6.081 -1.603 -13.415 1.00 0.00 O ATOM 532 CB LEU A 40 -4.323 -0.970 -10.730 1.00 0.00 C ATOM 533 CG LEU A 40 -3.026 -0.511 -10.063 1.00 0.00 C ATOM 534 CD1 LEU A 40 -2.984 -0.962 -8.611 1.00 0.00 C ATOM 535 CD2 LEU A 40 -1.818 -1.041 -10.823 1.00 0.00 C ATOM 0 H LEU A 40 -4.883 1.451 -10.731 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.970 -0.362 -12.762 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.131 -0.885 -10.004 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.227 -2.027 -10.977 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.995 0.578 -10.085 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.054 -0.626 -8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.829 -0.534 -8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.039 -2.050 -8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.904 -0.704 -10.334 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.844 -2.131 -10.833 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.840 -0.668 -11.847 1.00 0.00 H new ATOM 547 N GLY A 41 -7.156 -0.264 -11.962 1.00 0.00 N ATOM 548 CA GLY A 41 -8.469 -0.710 -12.389 1.00 0.00 C ATOM 549 C GLY A 41 -9.333 -1.163 -11.228 1.00 0.00 C ATOM 550 O GLY A 41 -10.366 -1.805 -11.427 1.00 0.00 O ATOM 0 H GLY A 41 -7.161 0.437 -11.221 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.971 0.101 -12.917 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.358 -1.531 -13.097 1.00 0.00 H new ATOM 554 N LEU A 42 -8.910 -0.832 -10.013 1.00 0.00 N ATOM 555 CA LEU A 42 -9.651 -1.211 -8.815 1.00 0.00 C ATOM 556 C LEU A 42 -10.238 0.017 -8.127 1.00 0.00 C ATOM 557 O LEU A 42 -10.132 0.169 -6.910 1.00 0.00 O ATOM 558 CB LEU A 42 -8.741 -1.966 -7.846 1.00 0.00 C ATOM 559 CG LEU A 42 -7.967 -3.147 -8.434 1.00 0.00 C ATOM 560 CD1 LEU A 42 -6.761 -3.479 -7.569 1.00 0.00 C ATOM 561 CD2 LEU A 42 -8.873 -4.361 -8.577 1.00 0.00 C ATOM 0 H LEU A 42 -8.058 -0.302 -9.831 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.471 -1.863 -9.116 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.024 -1.260 -7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.349 -2.332 -7.018 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.611 -2.865 -9.425 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.223 -4.322 -8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.100 -2.614 -7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.094 -3.740 -6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.305 -5.191 -8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.259 -4.644 -7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.704 -4.119 -9.239 1.00 0.00 H new ATOM 573 N ARG A 43 -10.858 0.891 -8.914 1.00 0.00 N ATOM 574 CA ARG A 43 -11.463 2.105 -8.380 1.00 0.00 C ATOM 575 C ARG A 43 -12.709 1.778 -7.563 1.00 0.00 C ATOM 576 O ARG A 43 -12.895 2.295 -6.461 1.00 0.00 O ATOM 577 CB ARG A 43 -11.823 3.063 -9.517 1.00 0.00 C ATOM 578 CG ARG A 43 -12.742 2.452 -10.561 1.00 0.00 C ATOM 579 CD ARG A 43 -12.587 3.136 -11.910 1.00 0.00 C ATOM 580 NE ARG A 43 -13.424 4.327 -12.019 1.00 0.00 N ATOM 581 CZ ARG A 43 -13.374 5.170 -13.045 1.00 0.00 C ATOM 582 NH1 ARG A 43 -12.531 4.952 -14.045 1.00 0.00 N ATOM 583 NH2 ARG A 43 -14.168 6.232 -13.073 1.00 0.00 N ATOM 0 H ARG A 43 -10.954 0.781 -9.923 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.736 2.585 -7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.302 3.948 -9.097 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.906 3.397 -10.003 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.522 1.389 -10.663 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.777 2.533 -10.228 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.543 3.412 -12.059 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.848 2.436 -12.704 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.084 4.523 -11.266 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.919 4.136 -14.028 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.494 5.600 -14.832 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.818 6.403 -12.306 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.128 6.878 -13.861 1.00 0.00 H new ATOM 597 N SER A 44 -13.560 0.916 -8.110 1.00 0.00 N ATOM 598 CA SER A 44 -14.791 0.523 -7.434 1.00 0.00 C ATOM 599 C SER A 44 -14.487 -0.126 -6.087 1.00 0.00 C ATOM 600 O SER A 44 -15.329 -0.142 -5.188 1.00 0.00 O ATOM 601 CB SER A 44 -15.592 -0.443 -8.309 1.00 0.00 C ATOM 602 OG SER A 44 -16.924 -0.567 -7.843 1.00 0.00 O ATOM 0 H SER A 44 -13.420 0.476 -9.020 1.00 0.00 H new ATOM 0 HA SER A 44 -15.384 1.421 -7.260 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.595 -0.088 -9.339 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.111 -1.421 -8.311 1.00 0.00 H new ATOM 0 HG SER A 44 -17.416 -1.188 -8.420 1.00 0.00 H new ATOM 608 N LEU A 45 -13.278 -0.659 -5.953 1.00 0.00 N ATOM 609 CA LEU A 45 -12.861 -1.310 -4.716 1.00 0.00 C ATOM 610 C LEU A 45 -12.281 -0.295 -3.736 1.00 0.00 C ATOM 611 O LEU A 45 -12.106 -0.589 -2.553 1.00 0.00 O ATOM 612 CB LEU A 45 -11.827 -2.398 -5.012 1.00 0.00 C ATOM 613 CG LEU A 45 -12.386 -3.769 -5.393 1.00 0.00 C ATOM 614 CD1 LEU A 45 -11.293 -4.647 -5.982 1.00 0.00 C ATOM 615 CD2 LEU A 45 -13.019 -4.442 -4.184 1.00 0.00 C ATOM 0 H LEU A 45 -12.569 -0.653 -6.686 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.740 -1.767 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.186 -2.051 -5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.193 -2.518 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.157 -3.627 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.710 -5.619 -6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.886 -4.171 -6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.499 -4.781 -5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.411 -5.417 -4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.268 -4.571 -3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.832 -3.822 -3.806 1.00 0.00 H new ATOM 627 N VAL A 46 -11.987 0.901 -4.235 1.00 0.00 N ATOM 628 CA VAL A 46 -11.430 1.961 -3.403 1.00 0.00 C ATOM 629 C VAL A 46 -12.256 2.157 -2.137 1.00 0.00 C ATOM 630 O VAL A 46 -11.745 2.030 -1.024 1.00 0.00 O ATOM 631 CB VAL A 46 -11.360 3.296 -4.168 1.00 0.00 C ATOM 632 CG1 VAL A 46 -10.888 4.413 -3.250 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.447 3.169 -5.378 1.00 0.00 C ATOM 0 H VAL A 46 -12.125 1.160 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.421 1.653 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.361 3.546 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.845 5.348 -3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.584 4.519 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.897 4.174 -2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.409 4.121 -5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.444 2.896 -5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.833 2.398 -6.046 1.00 0.00 H new ATOM 643 N ASP A 47 -13.536 2.465 -2.314 1.00 0.00 N ATOM 644 CA ASP A 47 -14.435 2.676 -1.185 1.00 0.00 C ATOM 645 C ASP A 47 -14.553 1.411 -0.340 1.00 0.00 C ATOM 646 O ASP A 47 -14.595 1.474 0.889 1.00 0.00 O ATOM 647 CB ASP A 47 -15.817 3.106 -1.679 1.00 0.00 C ATOM 648 CG ASP A 47 -15.877 4.581 -2.022 1.00 0.00 C ATOM 649 OD1 ASP A 47 -15.541 5.407 -1.148 1.00 0.00 O ATOM 650 OD2 ASP A 47 -16.259 4.910 -3.165 1.00 0.00 O ATOM 0 H ASP A 47 -13.975 2.574 -3.228 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.018 3.468 -0.563 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.083 2.520 -2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.559 2.884 -0.912 1.00 0.00 H new ATOM 655 N THR A 48 -14.609 0.263 -1.008 1.00 0.00 N ATOM 656 CA THR A 48 -14.725 -1.016 -0.319 1.00 0.00 C ATOM 657 C THR A 48 -13.588 -1.210 0.677 1.00 0.00 C ATOM 658 O THR A 48 -13.765 -1.837 1.722 1.00 0.00 O ATOM 659 CB THR A 48 -14.726 -2.192 -1.315 1.00 0.00 C ATOM 660 OG1 THR A 48 -15.947 -2.200 -2.063 1.00 0.00 O ATOM 661 CG2 THR A 48 -14.562 -3.517 -0.587 1.00 0.00 C ATOM 0 H THR A 48 -14.576 0.193 -2.025 1.00 0.00 H new ATOM 0 HA THR A 48 -15.674 -1.001 0.217 1.00 0.00 H new ATOM 0 HB THR A 48 -13.885 -2.063 -1.996 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.939 -2.949 -2.695 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.566 -4.332 -1.310 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.618 -3.519 -0.043 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.385 -3.651 0.115 1.00 0.00 H new ATOM 669 N TYR A 49 -12.421 -0.667 0.349 1.00 0.00 N ATOM 670 CA TYR A 49 -11.254 -0.781 1.215 1.00 0.00 C ATOM 671 C TYR A 49 -11.284 0.278 2.313 1.00 0.00 C ATOM 672 O TYR A 49 -10.651 0.123 3.357 1.00 0.00 O ATOM 673 CB TYR A 49 -9.969 -0.646 0.395 1.00 0.00 C ATOM 674 CG TYR A 49 -9.740 -1.792 -0.564 1.00 0.00 C ATOM 675 CD1 TYR A 49 -9.941 -3.108 -0.167 1.00 0.00 C ATOM 676 CD2 TYR A 49 -9.322 -1.559 -1.868 1.00 0.00 C ATOM 677 CE1 TYR A 49 -9.732 -4.158 -1.040 1.00 0.00 C ATOM 678 CE2 TYR A 49 -9.112 -2.602 -2.749 1.00 0.00 C ATOM 679 CZ TYR A 49 -9.318 -3.900 -2.330 1.00 0.00 C ATOM 680 OH TYR A 49 -9.109 -4.943 -3.203 1.00 0.00 O ATOM 0 H TYR A 49 -12.258 -0.143 -0.511 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.276 -1.765 1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.004 0.287 -0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.120 -0.577 1.075 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.266 -3.314 0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.158 -0.544 -2.199 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.892 -5.175 -0.714 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.788 -2.402 -3.760 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.888 -5.538 -3.194 1.00 0.00 H new ATOM 690 N ARG A 50 -12.025 1.353 2.068 1.00 0.00 N ATOM 691 CA ARG A 50 -12.139 2.439 3.034 1.00 0.00 C ATOM 692 C ARG A 50 -12.746 1.941 4.342 1.00 0.00 C ATOM 693 O ARG A 50 -12.299 2.316 5.426 1.00 0.00 O ATOM 694 CB ARG A 50 -12.993 3.572 2.462 1.00 0.00 C ATOM 695 CG ARG A 50 -12.686 4.931 3.069 1.00 0.00 C ATOM 696 CD ARG A 50 -13.738 5.962 2.687 1.00 0.00 C ATOM 697 NE ARG A 50 -13.201 7.320 2.691 1.00 0.00 N ATOM 698 CZ ARG A 50 -13.957 8.410 2.633 1.00 0.00 C ATOM 699 NH1 ARG A 50 -15.277 8.302 2.566 1.00 0.00 N ATOM 700 NH2 ARG A 50 -13.394 9.611 2.641 1.00 0.00 N ATOM 0 H ARG A 50 -12.556 1.496 1.209 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.137 2.816 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.840 3.622 1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.046 3.340 2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.638 4.844 4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.706 5.268 2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.130 5.730 1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.575 5.901 3.383 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.189 7.438 2.741 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.714 7.380 2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.856 9.141 2.522 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.379 9.698 2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.976 10.447 2.596 1.00 0.00 H new ATOM 714 N GLN A 51 -13.766 1.096 4.232 1.00 0.00 N ATOM 715 CA GLN A 51 -14.434 0.549 5.407 1.00 0.00 C ATOM 716 C GLN A 51 -13.518 -0.413 6.155 1.00 0.00 C ATOM 717 O GLN A 51 -13.504 -0.444 7.386 1.00 0.00 O ATOM 718 CB GLN A 51 -15.722 -0.168 4.999 1.00 0.00 C ATOM 719 CG GLN A 51 -15.535 -1.150 3.853 1.00 0.00 C ATOM 720 CD GLN A 51 -16.656 -2.167 3.767 1.00 0.00 C ATOM 721 OE1 GLN A 51 -17.552 -2.193 4.612 1.00 0.00 O ATOM 722 NE2 GLN A 51 -16.611 -3.013 2.745 1.00 0.00 N ATOM 0 H GLN A 51 -14.148 0.776 3.342 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.682 1.377 6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -16.120 -0.701 5.862 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.466 0.575 4.712 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -15.476 -0.600 2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.586 -1.671 3.977 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.850 -2.955 2.068 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -17.338 -3.721 2.636 1.00 0.00 H new ATOM 731 N THR A 52 -12.753 -1.200 5.404 1.00 0.00 N ATOM 732 CA THR A 52 -11.835 -2.164 5.996 1.00 0.00 C ATOM 733 C THR A 52 -10.799 -1.470 6.874 1.00 0.00 C ATOM 734 O THR A 52 -10.636 -0.251 6.815 1.00 0.00 O ATOM 735 CB THR A 52 -11.107 -2.984 4.914 1.00 0.00 C ATOM 736 OG1 THR A 52 -10.178 -2.152 4.211 1.00 0.00 O ATOM 737 CG2 THR A 52 -12.100 -3.586 3.932 1.00 0.00 C ATOM 0 H THR A 52 -12.752 -1.188 4.384 1.00 0.00 H new ATOM 0 HA THR A 52 -12.435 -2.836 6.609 1.00 0.00 H new ATOM 0 HB THR A 52 -10.569 -3.795 5.405 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.464 -1.217 4.273 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.563 -4.160 3.177 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.788 -4.242 4.466 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.662 -2.788 3.448 1.00 0.00 H new ATOM 745 N THR A 53 -10.100 -2.254 7.689 1.00 0.00 N ATOM 746 CA THR A 53 -9.081 -1.715 8.580 1.00 0.00 C ATOM 747 C THR A 53 -7.754 -1.535 7.852 1.00 0.00 C ATOM 748 O THR A 53 -7.181 -0.445 7.847 1.00 0.00 O ATOM 749 CB THR A 53 -8.862 -2.628 9.802 1.00 0.00 C ATOM 750 OG1 THR A 53 -8.669 -3.981 9.374 1.00 0.00 O ATOM 751 CG2 THR A 53 -10.049 -2.555 10.750 1.00 0.00 C ATOM 0 H THR A 53 -10.221 -3.265 7.750 1.00 0.00 H new ATOM 0 HA THR A 53 -9.441 -0.744 8.921 1.00 0.00 H new ATOM 0 HB THR A 53 -7.973 -2.285 10.331 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.529 -4.555 10.156 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.872 -3.207 11.605 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.176 -1.529 11.096 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.951 -2.876 10.229 1.00 0.00 H new ATOM 759 N SER A 54 -7.271 -2.609 7.236 1.00 0.00 N ATOM 760 CA SER A 54 -6.009 -2.569 6.506 1.00 0.00 C ATOM 761 C SER A 54 -6.250 -2.622 5.001 1.00 0.00 C ATOM 762 O SER A 54 -6.135 -3.670 4.364 1.00 0.00 O ATOM 763 CB SER A 54 -5.112 -3.734 6.932 1.00 0.00 C ATOM 764 OG SER A 54 -5.772 -4.976 6.756 1.00 0.00 O ATOM 0 H SER A 54 -7.734 -3.518 7.228 1.00 0.00 H new ATOM 0 HA SER A 54 -5.510 -1.630 6.743 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.192 -3.721 6.348 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.827 -3.615 7.977 1.00 0.00 H new ATOM 0 HG SER A 54 -6.161 -5.015 5.857 1.00 0.00 H new ATOM 770 N PRO A 55 -6.594 -1.465 4.417 1.00 0.00 N ATOM 771 CA PRO A 55 -6.859 -1.352 2.979 1.00 0.00 C ATOM 772 C PRO A 55 -5.594 -1.512 2.143 1.00 0.00 C ATOM 773 O PRO A 55 -5.657 -1.867 0.966 1.00 0.00 O ATOM 774 CB PRO A 55 -7.421 0.064 2.832 1.00 0.00 C ATOM 775 CG PRO A 55 -6.862 0.816 3.991 1.00 0.00 C ATOM 776 CD PRO A 55 -6.750 -0.177 5.114 1.00 0.00 C ATOM 0 HA PRO A 55 -7.534 -2.132 2.626 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.119 0.513 1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.511 0.061 2.850 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.888 1.241 3.747 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.512 1.646 4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.896 0.038 5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.637 -0.168 5.748 1.00 0.00 H new ATOM 784 N SER A 56 -4.445 -1.248 2.758 1.00 0.00 N ATOM 785 CA SER A 56 -3.165 -1.360 2.068 1.00 0.00 C ATOM 786 C SER A 56 -2.900 -2.801 1.645 1.00 0.00 C ATOM 787 O SER A 56 -2.647 -3.080 0.474 1.00 0.00 O ATOM 788 CB SER A 56 -2.032 -0.864 2.968 1.00 0.00 C ATOM 789 OG SER A 56 -1.919 -1.663 4.133 1.00 0.00 O ATOM 0 H SER A 56 -4.375 -0.955 3.733 1.00 0.00 H new ATOM 0 HA SER A 56 -3.207 -0.739 1.173 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.091 -0.883 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.215 0.173 3.251 1.00 0.00 H new ATOM 0 HG SER A 56 -1.592 -1.114 4.876 1.00 0.00 H new ATOM 795 N GLY A 57 -2.960 -3.715 2.609 1.00 0.00 N ATOM 796 CA GLY A 57 -2.724 -5.117 2.318 1.00 0.00 C ATOM 797 C GLY A 57 -3.746 -5.689 1.356 1.00 0.00 C ATOM 798 O GLY A 57 -3.390 -6.211 0.299 1.00 0.00 O ATOM 0 H GLY A 57 -3.168 -3.509 3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.726 -5.234 1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.746 -5.686 3.247 1.00 0.00 H new ATOM 802 N SER A 58 -5.020 -5.594 1.722 1.00 0.00 N ATOM 803 CA SER A 58 -6.097 -6.111 0.886 1.00 0.00 C ATOM 804 C SER A 58 -6.006 -5.546 -0.528 1.00 0.00 C ATOM 805 O SER A 58 -6.320 -6.229 -1.504 1.00 0.00 O ATOM 806 CB SER A 58 -7.457 -5.768 1.498 1.00 0.00 C ATOM 807 OG SER A 58 -7.830 -6.722 2.478 1.00 0.00 O ATOM 0 H SER A 58 -5.332 -5.164 2.593 1.00 0.00 H new ATOM 0 HA SER A 58 -5.994 -7.195 0.833 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.417 -4.776 1.948 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.214 -5.732 0.714 1.00 0.00 H new ATOM 0 HG SER A 58 -8.701 -6.480 2.855 1.00 0.00 H new ATOM 813 N LEU A 59 -5.575 -4.294 -0.631 1.00 0.00 N ATOM 814 CA LEU A 59 -5.442 -3.634 -1.926 1.00 0.00 C ATOM 815 C LEU A 59 -4.509 -4.419 -2.843 1.00 0.00 C ATOM 816 O LEU A 59 -4.937 -4.962 -3.863 1.00 0.00 O ATOM 817 CB LEU A 59 -4.916 -2.209 -1.743 1.00 0.00 C ATOM 818 CG LEU A 59 -4.491 -1.482 -3.019 1.00 0.00 C ATOM 819 CD1 LEU A 59 -5.696 -1.215 -3.908 1.00 0.00 C ATOM 820 CD2 LEU A 59 -3.779 -0.181 -2.679 1.00 0.00 C ATOM 0 H LEU A 59 -5.311 -3.715 0.166 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.428 -3.594 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.689 -1.618 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.062 -2.242 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.797 -2.121 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.374 -0.697 -4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.164 -2.161 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.414 -0.595 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.484 0.323 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.450 0.464 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.892 -0.397 -2.083 1.00 0.00 H new ATOM 832 N LEU A 60 -3.235 -4.475 -2.474 1.00 0.00 N ATOM 833 CA LEU A 60 -2.241 -5.196 -3.263 1.00 0.00 C ATOM 834 C LEU A 60 -2.646 -6.655 -3.447 1.00 0.00 C ATOM 835 O LEU A 60 -2.508 -7.215 -4.534 1.00 0.00 O ATOM 836 CB LEU A 60 -0.870 -5.116 -2.588 1.00 0.00 C ATOM 837 CG LEU A 60 -0.239 -3.725 -2.512 1.00 0.00 C ATOM 838 CD1 LEU A 60 0.801 -3.671 -1.405 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.381 -3.348 -3.850 1.00 0.00 C ATOM 0 H LEU A 60 -2.865 -4.030 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.183 -4.728 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.963 -5.507 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.185 -5.775 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.022 -3.003 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.239 -2.674 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.327 -3.897 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.583 -4.403 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.825 -2.355 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.152 -4.073 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.390 -3.345 -4.620 1.00 0.00 H new ATOM 851 N ARG A 61 -3.147 -7.264 -2.377 1.00 0.00 N ATOM 852 CA ARG A 61 -3.573 -8.657 -2.421 1.00 0.00 C ATOM 853 C ARG A 61 -4.632 -8.868 -3.500 1.00 0.00 C ATOM 854 O ARG A 61 -4.712 -9.937 -4.105 1.00 0.00 O ATOM 855 CB ARG A 61 -4.123 -9.088 -1.060 1.00 0.00 C ATOM 856 CG ARG A 61 -3.051 -9.566 -0.094 1.00 0.00 C ATOM 857 CD ARG A 61 -3.600 -10.594 0.883 1.00 0.00 C ATOM 858 NE ARG A 61 -3.469 -11.957 0.374 1.00 0.00 N ATOM 859 CZ ARG A 61 -3.787 -13.037 1.078 1.00 0.00 C ATOM 860 NH1 ARG A 61 -4.252 -12.915 2.313 1.00 0.00 N ATOM 861 NH2 ARG A 61 -3.640 -14.244 0.546 1.00 0.00 N ATOM 0 H ARG A 61 -3.268 -6.814 -1.469 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.704 -9.269 -2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.657 -8.250 -0.611 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.850 -9.887 -1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.223 -10.000 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.651 -8.715 0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.072 -10.509 1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.650 -10.381 1.082 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.114 -12.086 -0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.367 -11.989 2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.495 -13.747 2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.283 -14.342 -0.404 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.884 -15.073 1.087 1.00 0.00 H new ATOM 875 N SER A 62 -5.444 -7.842 -3.734 1.00 0.00 N ATOM 876 CA SER A 62 -6.501 -7.916 -4.736 1.00 0.00 C ATOM 877 C SER A 62 -5.964 -7.561 -6.119 1.00 0.00 C ATOM 878 O SER A 62 -6.516 -7.979 -7.137 1.00 0.00 O ATOM 879 CB SER A 62 -7.650 -6.977 -4.366 1.00 0.00 C ATOM 880 OG SER A 62 -8.772 -7.188 -5.206 1.00 0.00 O ATOM 0 H SER A 62 -5.390 -6.949 -3.243 1.00 0.00 H new ATOM 0 HA SER A 62 -6.873 -8.940 -4.762 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.935 -7.138 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.319 -5.942 -4.449 1.00 0.00 H new ATOM 0 HG SER A 62 -9.542 -6.696 -4.852 1.00 0.00 H new ATOM 886 N TYR A 63 -4.884 -6.788 -6.147 1.00 0.00 N ATOM 887 CA TYR A 63 -4.273 -6.374 -7.404 1.00 0.00 C ATOM 888 C TYR A 63 -3.724 -7.577 -8.165 1.00 0.00 C ATOM 889 O TYR A 63 -3.551 -7.528 -9.383 1.00 0.00 O ATOM 890 CB TYR A 63 -3.152 -5.367 -7.143 1.00 0.00 C ATOM 891 CG TYR A 63 -2.377 -4.988 -8.385 1.00 0.00 C ATOM 892 CD1 TYR A 63 -2.996 -4.327 -9.439 1.00 0.00 C ATOM 893 CD2 TYR A 63 -1.027 -5.292 -8.505 1.00 0.00 C ATOM 894 CE1 TYR A 63 -2.292 -3.979 -10.576 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.315 -4.947 -9.638 1.00 0.00 C ATOM 896 CZ TYR A 63 -0.952 -4.291 -10.671 1.00 0.00 C ATOM 897 OH TYR A 63 -0.247 -3.947 -11.801 1.00 0.00 O ATOM 0 H TYR A 63 -4.414 -6.436 -5.313 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.042 -5.901 -8.014 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.580 -4.466 -6.703 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.463 -5.785 -6.409 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.045 -4.081 -9.368 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.525 -5.807 -7.699 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.789 -3.465 -11.386 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.735 -5.190 -9.714 1.00 0.00 H new ATOM 0 HH TYR A 63 0.635 -4.373 -11.779 1.00 0.00 H new ATOM 907 N GLU A 64 -3.453 -8.656 -7.438 1.00 0.00 N ATOM 908 CA GLU A 64 -2.923 -9.872 -8.044 1.00 0.00 C ATOM 909 C GLU A 64 -4.051 -10.830 -8.417 1.00 0.00 C ATOM 910 O GLU A 64 -4.007 -11.484 -9.460 1.00 0.00 O ATOM 911 CB GLU A 64 -1.949 -10.563 -7.087 1.00 0.00 C ATOM 912 CG GLU A 64 -2.625 -11.501 -6.101 1.00 0.00 C ATOM 913 CD GLU A 64 -1.633 -12.326 -5.306 1.00 0.00 C ATOM 914 OE1 GLU A 64 -0.502 -11.844 -5.085 1.00 0.00 O ATOM 915 OE2 GLU A 64 -1.987 -13.454 -4.904 1.00 0.00 O ATOM 0 H GLU A 64 -3.592 -8.713 -6.429 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.391 -9.592 -8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.219 -11.126 -7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.397 -9.804 -6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.240 -10.919 -5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.296 -12.169 -6.642 1.00 0.00 H new ATOM 922 N LEU A 65 -5.061 -10.908 -7.558 1.00 0.00 N ATOM 923 CA LEU A 65 -6.202 -11.786 -7.795 1.00 0.00 C ATOM 924 C LEU A 65 -6.866 -11.467 -9.131 1.00 0.00 C ATOM 925 O LEU A 65 -7.395 -12.354 -9.800 1.00 0.00 O ATOM 926 CB LEU A 65 -7.220 -11.651 -6.662 1.00 0.00 C ATOM 927 CG LEU A 65 -6.702 -11.953 -5.255 1.00 0.00 C ATOM 928 CD1 LEU A 65 -7.505 -11.188 -4.215 1.00 0.00 C ATOM 929 CD2 LEU A 65 -6.753 -13.448 -4.977 1.00 0.00 C ATOM 0 H LEU A 65 -5.113 -10.374 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.838 -12.813 -7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.613 -10.634 -6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.056 -12.318 -6.871 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.663 -11.628 -5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.122 -11.415 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.417 -10.118 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.553 -11.482 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.381 -13.644 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.782 -13.798 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.133 -13.974 -5.703 1.00 0.00 H new ATOM 941 N ALA A 66 -6.832 -10.194 -9.513 1.00 0.00 N ATOM 942 CA ALA A 66 -7.427 -9.758 -10.770 1.00 0.00 C ATOM 943 C ALA A 66 -6.580 -10.198 -11.960 1.00 0.00 C ATOM 944 O ALA A 66 -7.099 -10.444 -13.047 1.00 0.00 O ATOM 945 CB ALA A 66 -7.603 -8.247 -10.775 1.00 0.00 C ATOM 0 H ALA A 66 -6.399 -9.447 -8.970 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.407 -10.227 -10.861 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.048 -7.936 -11.720 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.255 -7.954 -9.952 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.632 -7.767 -10.656 1.00 0.00 H new ATOM 951 N GLY A 67 -5.271 -10.292 -11.745 1.00 0.00 N ATOM 952 CA GLY A 67 -4.372 -10.701 -12.809 1.00 0.00 C ATOM 953 C GLY A 67 -3.395 -9.608 -13.194 1.00 0.00 C ATOM 954 O GLY A 67 -3.045 -9.462 -14.365 1.00 0.00 O ATOM 0 H GLY A 67 -4.817 -10.092 -10.854 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.818 -11.585 -12.493 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.956 -10.987 -13.684 1.00 0.00 H new ATOM 958 N GLY A 68 -2.953 -8.836 -12.206 1.00 0.00 N ATOM 959 CA GLY A 68 -2.015 -7.760 -12.468 1.00 0.00 C ATOM 960 C GLY A 68 -0.572 -8.218 -12.400 1.00 0.00 C ATOM 961 O GLY A 68 -0.290 -9.415 -12.466 1.00 0.00 O ATOM 0 H GLY A 68 -3.228 -8.937 -11.229 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.214 -7.341 -13.455 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.173 -6.960 -11.745 1.00 0.00 H new ATOM 965 N ASP A 69 0.344 -7.265 -12.270 1.00 0.00 N ATOM 966 CA ASP A 69 1.767 -7.578 -12.195 1.00 0.00 C ATOM 967 C ASP A 69 2.558 -6.385 -11.667 1.00 0.00 C ATOM 968 O ASP A 69 2.096 -5.244 -11.727 1.00 0.00 O ATOM 969 CB ASP A 69 2.295 -7.987 -13.571 1.00 0.00 C ATOM 970 CG ASP A 69 3.711 -8.523 -13.511 1.00 0.00 C ATOM 971 OD1 ASP A 69 4.024 -9.271 -12.560 1.00 0.00 O ATOM 972 OD2 ASP A 69 4.508 -8.196 -14.415 1.00 0.00 O ATOM 0 H ASP A 69 0.127 -6.270 -12.214 1.00 0.00 H new ATOM 0 HA ASP A 69 1.895 -8.411 -11.504 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.640 -8.747 -13.997 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.263 -7.127 -14.240 1.00 0.00 H new ATOM 977 N LEU A 70 3.751 -6.655 -11.150 1.00 0.00 N ATOM 978 CA LEU A 70 4.606 -5.604 -10.610 1.00 0.00 C ATOM 979 C LEU A 70 4.667 -4.410 -11.558 1.00 0.00 C ATOM 980 O LEU A 70 4.284 -3.298 -11.197 1.00 0.00 O ATOM 981 CB LEU A 70 6.016 -6.144 -10.362 1.00 0.00 C ATOM 982 CG LEU A 70 6.827 -5.430 -9.279 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.212 -5.667 -7.908 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.275 -5.896 -9.304 1.00 0.00 C ATOM 0 H LEU A 70 4.148 -7.593 -11.093 1.00 0.00 H new ATOM 0 HA LEU A 70 4.178 -5.272 -9.664 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.938 -7.198 -10.094 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.573 -6.093 -11.298 1.00 0.00 H new ATOM 0 HG LEU A 70 6.807 -4.359 -9.483 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.802 -5.152 -7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.192 -5.284 -7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.201 -6.736 -7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.837 -5.378 -8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.315 -6.971 -9.125 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.712 -5.674 -10.278 1.00 0.00 H new ATOM 996 N ALA A 71 5.148 -4.650 -12.774 1.00 0.00 N ATOM 997 CA ALA A 71 5.255 -3.597 -13.775 1.00 0.00 C ATOM 998 C ALA A 71 4.044 -2.670 -13.728 1.00 0.00 C ATOM 999 O ALA A 71 4.177 -1.471 -13.490 1.00 0.00 O ATOM 1000 CB ALA A 71 5.405 -4.201 -15.163 1.00 0.00 C ATOM 0 H ALA A 71 5.470 -5.565 -13.089 1.00 0.00 H new ATOM 0 HA ALA A 71 6.142 -3.005 -13.550 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.484 -3.402 -15.901 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.304 -4.816 -15.197 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.535 -4.818 -15.387 1.00 0.00 H new ATOM 1006 N GLY A 72 2.863 -3.235 -13.957 1.00 0.00 N ATOM 1007 CA GLY A 72 1.646 -2.445 -13.937 1.00 0.00 C ATOM 1008 C GLY A 72 1.613 -1.460 -12.785 1.00 0.00 C ATOM 1009 O GLY A 72 1.228 -0.303 -12.958 1.00 0.00 O ATOM 0 H GLY A 72 2.727 -4.226 -14.156 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.553 -1.902 -14.878 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.786 -3.110 -13.867 1.00 0.00 H new ATOM 1013 N LEU A 73 2.017 -1.919 -11.605 1.00 0.00 N ATOM 1014 CA LEU A 73 2.031 -1.071 -10.419 1.00 0.00 C ATOM 1015 C LEU A 73 3.127 -0.015 -10.517 1.00 0.00 C ATOM 1016 O LEU A 73 2.867 1.181 -10.378 1.00 0.00 O ATOM 1017 CB LEU A 73 2.236 -1.920 -9.163 1.00 0.00 C ATOM 1018 CG LEU A 73 1.780 -1.291 -7.846 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.263 -1.294 -7.750 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.392 -2.028 -6.663 1.00 0.00 C ATOM 0 H LEU A 73 2.339 -2.873 -11.445 1.00 0.00 H new ATOM 0 HA LEU A 73 1.068 -0.564 -10.354 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.705 -2.863 -9.295 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.296 -2.160 -9.080 1.00 0.00 H new ATOM 0 HG LEU A 73 2.123 -0.257 -7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.043 -0.843 -6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.155 -0.722 -8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.102 -2.320 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.057 -1.567 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.079 -3.072 -6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.479 -1.974 -6.723 1.00 0.00 H new ATOM 1032 N LEU A 74 4.354 -0.464 -10.760 1.00 0.00 N ATOM 1033 CA LEU A 74 5.491 0.443 -10.880 1.00 0.00 C ATOM 1034 C LEU A 74 5.151 1.626 -11.781 1.00 0.00 C ATOM 1035 O LEU A 74 5.670 2.726 -11.598 1.00 0.00 O ATOM 1036 CB LEU A 74 6.706 -0.303 -11.434 1.00 0.00 C ATOM 1037 CG LEU A 74 7.258 -1.429 -10.560 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.200 -2.314 -11.361 1.00 0.00 C ATOM 1039 CD2 LEU A 74 7.967 -0.859 -9.340 1.00 0.00 C ATOM 0 H LEU A 74 4.587 -1.450 -10.878 1.00 0.00 H new ATOM 0 HA LEU A 74 5.728 0.824 -9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.439 -0.721 -12.405 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.503 0.420 -11.607 1.00 0.00 H new ATOM 0 HG LEU A 74 6.422 -2.039 -10.217 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.583 -3.110 -10.722 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.662 -2.751 -12.202 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.032 -1.716 -11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.353 -1.675 -8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.793 -0.225 -9.662 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.263 -0.269 -8.753 1.00 0.00 H new ATOM 1051 N GLU A 75 4.275 1.391 -12.753 1.00 0.00 N ATOM 1052 CA GLU A 75 3.866 2.438 -13.681 1.00 0.00 C ATOM 1053 C GLU A 75 2.953 3.449 -12.993 1.00 0.00 C ATOM 1054 O GLU A 75 3.117 4.658 -13.153 1.00 0.00 O ATOM 1055 CB GLU A 75 3.151 1.829 -14.889 1.00 0.00 C ATOM 1056 CG GLU A 75 2.194 2.788 -15.578 1.00 0.00 C ATOM 1057 CD GLU A 75 2.911 3.933 -16.266 1.00 0.00 C ATOM 1058 OE1 GLU A 75 3.713 3.666 -17.184 1.00 0.00 O ATOM 1059 OE2 GLU A 75 2.669 5.098 -15.885 1.00 0.00 O ATOM 0 H GLU A 75 3.835 0.485 -12.918 1.00 0.00 H new ATOM 0 HA GLU A 75 4.762 2.956 -14.021 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.896 1.492 -15.610 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.598 0.947 -14.566 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.603 2.241 -16.312 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.497 3.190 -14.843 1.00 0.00 H new ATOM 1066 N ALA A 76 1.992 2.944 -12.227 1.00 0.00 N ATOM 1067 CA ALA A 76 1.054 3.801 -11.513 1.00 0.00 C ATOM 1068 C ALA A 76 1.767 4.627 -10.447 1.00 0.00 C ATOM 1069 O ALA A 76 1.622 5.849 -10.394 1.00 0.00 O ATOM 1070 CB ALA A 76 -0.052 2.966 -10.885 1.00 0.00 C ATOM 0 H ALA A 76 1.843 1.945 -12.085 1.00 0.00 H new ATOM 0 HA ALA A 76 0.610 4.489 -12.232 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.745 3.619 -10.355 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.588 2.426 -11.665 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.383 2.254 -10.184 1.00 0.00 H new ATOM 1076 N LEU A 77 2.535 3.952 -9.599 1.00 0.00 N ATOM 1077 CA LEU A 77 3.271 4.623 -8.533 1.00 0.00 C ATOM 1078 C LEU A 77 4.171 5.718 -9.098 1.00 0.00 C ATOM 1079 O LEU A 77 4.168 6.849 -8.613 1.00 0.00 O ATOM 1080 CB LEU A 77 4.109 3.611 -7.750 1.00 0.00 C ATOM 1081 CG LEU A 77 3.346 2.431 -7.148 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.300 1.295 -6.811 1.00 0.00 C ATOM 1083 CD2 LEU A 77 2.577 2.868 -5.910 1.00 0.00 C ATOM 0 H LEU A 77 2.664 2.941 -9.629 1.00 0.00 H new ATOM 0 HA LEU A 77 2.548 5.084 -7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.881 3.219 -8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.619 4.138 -6.943 1.00 0.00 H new ATOM 0 HG LEU A 77 2.630 2.071 -7.887 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.739 0.464 -6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.806 0.963 -7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.040 1.643 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.040 2.015 -5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.274 3.255 -5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.865 3.648 -6.180 1.00 0.00 H new ATOM 1095 N SER A 78 4.938 5.373 -10.127 1.00 0.00 N ATOM 1096 CA SER A 78 5.844 6.326 -10.757 1.00 0.00 C ATOM 1097 C SER A 78 5.067 7.468 -11.405 1.00 0.00 C ATOM 1098 O SER A 78 5.516 8.615 -11.410 1.00 0.00 O ATOM 1099 CB SER A 78 6.708 5.623 -11.806 1.00 0.00 C ATOM 1100 OG SER A 78 7.914 6.332 -12.032 1.00 0.00 O ATOM 0 H SER A 78 4.950 4.441 -10.542 1.00 0.00 H new ATOM 0 HA SER A 78 6.490 6.742 -9.983 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.935 4.610 -11.475 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.153 5.536 -12.740 1.00 0.00 H new ATOM 0 HG SER A 78 8.449 5.862 -12.705 1.00 0.00 H new ATOM 1106 N ASP A 79 3.899 7.146 -11.950 1.00 0.00 N ATOM 1107 CA ASP A 79 3.058 8.145 -12.600 1.00 0.00 C ATOM 1108 C ASP A 79 2.575 9.186 -11.595 1.00 0.00 C ATOM 1109 O ASP A 79 2.411 10.358 -11.931 1.00 0.00 O ATOM 1110 CB ASP A 79 1.860 7.473 -13.272 1.00 0.00 C ATOM 1111 CG ASP A 79 1.204 8.363 -14.310 1.00 0.00 C ATOM 1112 OD1 ASP A 79 0.795 9.487 -13.953 1.00 0.00 O ATOM 1113 OD2 ASP A 79 1.100 7.934 -15.478 1.00 0.00 O ATOM 0 H ASP A 79 3.513 6.202 -11.955 1.00 0.00 H new ATOM 0 HA ASP A 79 3.656 8.649 -13.359 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.185 6.546 -13.745 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.126 7.203 -12.513 1.00 0.00 H new ATOM 1118 N MET A 80 2.348 8.749 -10.360 1.00 0.00 N ATOM 1119 CA MET A 80 1.884 9.643 -9.306 1.00 0.00 C ATOM 1120 C MET A 80 3.060 10.335 -8.624 1.00 0.00 C ATOM 1121 O MET A 80 2.916 11.426 -8.073 1.00 0.00 O ATOM 1122 CB MET A 80 1.065 8.867 -8.273 1.00 0.00 C ATOM 1123 CG MET A 80 -0.196 8.239 -8.845 1.00 0.00 C ATOM 1124 SD MET A 80 -1.517 8.101 -7.626 1.00 0.00 S ATOM 1125 CE MET A 80 -0.623 7.419 -6.232 1.00 0.00 C ATOM 0 H MET A 80 2.478 7.781 -10.065 1.00 0.00 H new ATOM 0 HA MET A 80 1.252 10.405 -9.762 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.688 8.083 -7.842 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.790 9.539 -7.460 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.545 8.836 -9.687 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.040 7.248 -9.233 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.258 7.441 -5.346 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.340 6.389 -6.450 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.274 8.011 -6.050 1.00 0.00 H new ATOM 1135 N GLY A 81 4.224 9.694 -8.664 1.00 0.00 N ATOM 1136 CA GLY A 81 5.407 10.263 -8.046 1.00 0.00 C ATOM 1137 C GLY A 81 6.043 9.326 -7.039 1.00 0.00 C ATOM 1138 O GLY A 81 7.252 9.375 -6.811 1.00 0.00 O ATOM 0 H GLY A 81 4.369 8.790 -9.114 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.135 10.508 -8.819 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.141 11.197 -7.551 1.00 0.00 H new ATOM 1142 N LEU A 82 5.227 8.470 -6.433 1.00 0.00 N ATOM 1143 CA LEU A 82 5.717 7.517 -5.442 1.00 0.00 C ATOM 1144 C LEU A 82 6.977 6.815 -5.938 1.00 0.00 C ATOM 1145 O LEU A 82 6.903 5.764 -6.573 1.00 0.00 O ATOM 1146 CB LEU A 82 4.635 6.484 -5.122 1.00 0.00 C ATOM 1147 CG LEU A 82 3.303 7.040 -4.618 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.188 6.028 -4.830 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.406 7.423 -3.149 1.00 0.00 C ATOM 0 H LEU A 82 4.224 8.416 -6.610 1.00 0.00 H new ATOM 0 HA LEU A 82 5.965 8.068 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.444 5.897 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.027 5.798 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 82 3.066 7.937 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.248 6.441 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.098 5.803 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.418 5.113 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.449 7.817 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.667 6.543 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.176 8.184 -3.025 1.00 0.00 H new ATOM 1161 N GLU A 83 8.131 7.403 -5.641 1.00 0.00 N ATOM 1162 CA GLU A 83 9.407 6.833 -6.056 1.00 0.00 C ATOM 1163 C GLU A 83 9.804 5.670 -5.150 1.00 0.00 C ATOM 1164 O GLU A 83 10.124 4.582 -5.625 1.00 0.00 O ATOM 1165 CB GLU A 83 10.500 7.903 -6.038 1.00 0.00 C ATOM 1166 CG GLU A 83 10.410 8.885 -7.195 1.00 0.00 C ATOM 1167 CD GLU A 83 10.362 8.193 -8.544 1.00 0.00 C ATOM 1168 OE1 GLU A 83 9.249 7.859 -9.001 1.00 0.00 O ATOM 1169 OE2 GLU A 83 11.439 7.987 -9.143 1.00 0.00 O ATOM 0 H GLU A 83 8.209 8.273 -5.115 1.00 0.00 H new ATOM 0 HA GLU A 83 9.294 6.457 -7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.442 8.454 -5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.475 7.415 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.519 9.502 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.269 9.556 -7.165 1.00 0.00 H new ATOM 1176 N GLU A 84 9.780 5.912 -3.843 1.00 0.00 N ATOM 1177 CA GLU A 84 10.138 4.886 -2.871 1.00 0.00 C ATOM 1178 C GLU A 84 9.560 3.531 -3.271 1.00 0.00 C ATOM 1179 O GLU A 84 10.295 2.612 -3.628 1.00 0.00 O ATOM 1180 CB GLU A 84 9.638 5.275 -1.478 1.00 0.00 C ATOM 1181 CG GLU A 84 10.635 6.100 -0.682 1.00 0.00 C ATOM 1182 CD GLU A 84 10.914 7.448 -1.315 1.00 0.00 C ATOM 1183 OE1 GLU A 84 9.953 8.222 -1.511 1.00 0.00 O ATOM 1184 OE2 GLU A 84 12.093 7.731 -1.616 1.00 0.00 O ATOM 0 H GLU A 84 9.517 6.808 -3.434 1.00 0.00 H new ATOM 0 HA GLU A 84 11.225 4.806 -2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.711 5.839 -1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.401 4.369 -0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.253 6.249 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.569 5.545 -0.591 1.00 0.00 H new ATOM 1191 N GLY A 85 8.237 3.417 -3.208 1.00 0.00 N ATOM 1192 CA GLY A 85 7.581 2.173 -3.565 1.00 0.00 C ATOM 1193 C GLY A 85 8.145 1.564 -4.834 1.00 0.00 C ATOM 1194 O GLY A 85 8.557 0.404 -4.845 1.00 0.00 O ATOM 0 H GLY A 85 7.608 4.165 -2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.687 1.462 -2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.514 2.353 -3.695 1.00 0.00 H new ATOM 1198 N VAL A 86 8.163 2.348 -5.907 1.00 0.00 N ATOM 1199 CA VAL A 86 8.680 1.880 -7.188 1.00 0.00 C ATOM 1200 C VAL A 86 10.000 1.139 -7.009 1.00 0.00 C ATOM 1201 O VAL A 86 10.102 -0.050 -7.311 1.00 0.00 O ATOM 1202 CB VAL A 86 8.888 3.048 -8.170 1.00 0.00 C ATOM 1203 CG1 VAL A 86 9.443 2.541 -9.492 1.00 0.00 C ATOM 1204 CG2 VAL A 86 7.584 3.802 -8.384 1.00 0.00 C ATOM 0 H VAL A 86 7.825 3.311 -5.915 1.00 0.00 H new ATOM 0 HA VAL A 86 7.936 1.198 -7.600 1.00 0.00 H new ATOM 0 HB VAL A 86 9.614 3.738 -7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.584 3.380 -10.173 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.400 2.049 -9.320 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.743 1.830 -9.932 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.749 4.624 -9.081 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.835 3.124 -8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.233 4.199 -7.432 1.00 0.00 H new ATOM 1214 N ARG A 87 11.009 1.850 -6.517 1.00 0.00 N ATOM 1215 CA ARG A 87 12.325 1.260 -6.299 1.00 0.00 C ATOM 1216 C ARG A 87 12.251 0.132 -5.273 1.00 0.00 C ATOM 1217 O ARG A 87 12.559 -1.021 -5.578 1.00 0.00 O ATOM 1218 CB ARG A 87 13.315 2.327 -5.829 1.00 0.00 C ATOM 1219 CG ARG A 87 13.632 3.371 -6.888 1.00 0.00 C ATOM 1220 CD ARG A 87 14.759 4.290 -6.444 1.00 0.00 C ATOM 1221 NE ARG A 87 14.852 5.485 -7.278 1.00 0.00 N ATOM 1222 CZ ARG A 87 15.418 6.618 -6.879 1.00 0.00 C ATOM 1223 NH1 ARG A 87 15.940 6.710 -5.663 1.00 0.00 N ATOM 1224 NH2 ARG A 87 15.464 7.662 -7.696 1.00 0.00 N ATOM 0 H ARG A 87 10.941 2.835 -6.262 1.00 0.00 H new ATOM 0 HA ARG A 87 12.671 0.846 -7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.908 2.826 -4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.241 1.841 -5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.910 2.875 -7.818 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.740 3.962 -7.097 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.600 4.584 -5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 87 15.704 3.748 -6.480 1.00 0.00 H new ATOM 0 HE ARG A 87 14.461 5.447 -8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.907 5.909 -5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.374 7.581 -5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.064 7.595 -8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.899 8.532 -7.388 1.00 0.00 H new ATOM 1238 N LEU A 88 11.843 0.473 -4.055 1.00 0.00 N ATOM 1239 CA LEU A 88 11.730 -0.510 -2.983 1.00 0.00 C ATOM 1240 C LEU A 88 11.229 -1.846 -3.521 1.00 0.00 C ATOM 1241 O LEU A 88 11.867 -2.883 -3.331 1.00 0.00 O ATOM 1242 CB LEU A 88 10.785 0.001 -1.894 1.00 0.00 C ATOM 1243 CG LEU A 88 10.913 -0.670 -0.526 1.00 0.00 C ATOM 1244 CD1 LEU A 88 9.922 -0.068 0.458 1.00 0.00 C ATOM 1245 CD2 LEU A 88 10.702 -2.172 -0.647 1.00 0.00 C ATOM 0 H LEU A 88 11.585 1.422 -3.785 1.00 0.00 H new ATOM 0 HA LEU A 88 12.721 -0.660 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.952 1.071 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.760 -0.123 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 88 11.920 -0.494 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.027 -0.558 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.120 0.998 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.907 -0.213 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.797 -2.633 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.707 -2.369 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.451 -2.592 -1.318 1.00 0.00 H new ATOM 1257 N LEU A 89 10.084 -1.816 -4.195 1.00 0.00 N ATOM 1258 CA LEU A 89 9.498 -3.025 -4.763 1.00 0.00 C ATOM 1259 C LEU A 89 10.529 -3.798 -5.580 1.00 0.00 C ATOM 1260 O LEU A 89 10.677 -5.010 -5.423 1.00 0.00 O ATOM 1261 CB LEU A 89 8.297 -2.669 -5.641 1.00 0.00 C ATOM 1262 CG LEU A 89 7.014 -2.290 -4.901 1.00 0.00 C ATOM 1263 CD1 LEU A 89 6.085 -1.502 -5.813 1.00 0.00 C ATOM 1264 CD2 LEU A 89 6.316 -3.534 -4.372 1.00 0.00 C ATOM 0 H LEU A 89 9.543 -0.967 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 89 9.164 -3.658 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.579 -1.838 -6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.082 -3.518 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 89 7.279 -1.659 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.177 -1.241 -5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.585 -0.591 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.827 -2.109 -6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.405 -3.245 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.063 -4.191 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.979 -4.059 -3.684 1.00 0.00 H new ATOM 1276 N ARG A 90 11.239 -3.088 -6.450 1.00 0.00 N ATOM 1277 CA ARG A 90 12.257 -3.707 -7.291 1.00 0.00 C ATOM 1278 C ARG A 90 13.389 -4.278 -6.442 1.00 0.00 C ATOM 1279 O ARG A 90 13.842 -5.399 -6.667 1.00 0.00 O ATOM 1280 CB ARG A 90 12.815 -2.688 -8.286 1.00 0.00 C ATOM 1281 CG ARG A 90 11.872 -2.384 -9.439 1.00 0.00 C ATOM 1282 CD ARG A 90 12.573 -1.606 -10.542 1.00 0.00 C ATOM 1283 NE ARG A 90 13.613 -2.397 -11.194 1.00 0.00 N ATOM 1284 CZ ARG A 90 14.347 -1.953 -12.207 1.00 0.00 C ATOM 1285 NH1 ARG A 90 14.158 -0.729 -12.682 1.00 0.00 N ATOM 1286 NH2 ARG A 90 15.275 -2.733 -12.748 1.00 0.00 N ATOM 0 H ARG A 90 11.128 -2.084 -6.591 1.00 0.00 H new ATOM 0 HA ARG A 90 11.791 -4.524 -7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.039 -1.762 -7.757 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.757 -3.062 -8.687 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.478 -3.316 -9.844 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.020 -1.811 -9.073 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.840 -1.289 -11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.014 -0.702 -10.123 1.00 0.00 H new ATOM 0 HE ARG A 90 13.785 -3.343 -10.852 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.447 -0.126 -12.269 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.724 -0.391 -13.460 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.425 -3.675 -12.385 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.838 -2.391 -13.526 1.00 0.00 H new