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= -0.0806 X(o=-0.081,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.273 X(o=0.27,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -165:sc= -1.28 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot -37:sc= 1.18 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 59:sc= 0.331 USER MOD Single : A 56 SER OG : rot 180:sc= -0.137 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 81:sc= 0.197 USER MOD Single : A 63 TYR OH : rot 180:sc= 1.22 USER MOD Single : A 78 SER OG : rot 180:sc= -1.21 USER MOD Single : A 80 MET CE :methyl -139:sc= -3.78 (180deg=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 10 1.698 -12.873 -5.767 1.00 0.00 N ATOM 88 CA LEU A 10 2.657 -11.828 -6.108 1.00 0.00 C ATOM 89 C LEU A 10 4.077 -12.252 -5.745 1.00 0.00 C ATOM 90 O LEU A 10 4.317 -12.792 -4.665 1.00 0.00 O ATOM 91 CB LEU A 10 2.301 -10.527 -5.388 1.00 0.00 C ATOM 92 CG LEU A 10 1.169 -9.706 -6.006 1.00 0.00 C ATOM 93 CD1 LEU A 10 0.792 -8.547 -5.096 1.00 0.00 C ATOM 94 CD2 LEU A 10 1.569 -9.197 -7.383 1.00 0.00 C ATOM 0 HA LEU A 10 2.611 -11.664 -7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.030 -10.767 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.194 -9.903 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 10 0.298 -10.351 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.015 -7.974 -5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.462 -8.934 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.658 -7.902 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.751 -8.615 -7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.455 -8.568 -7.295 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.788 -10.043 -8.034 1.00 0.00 H new ATOM 106 N SER A 11 5.014 -12.002 -6.653 1.00 0.00 N ATOM 107 CA SER A 11 6.410 -12.359 -6.429 1.00 0.00 C ATOM 108 C SER A 11 7.093 -11.338 -5.524 1.00 0.00 C ATOM 109 O SER A 11 8.165 -10.823 -5.846 1.00 0.00 O ATOM 110 CB SER A 11 7.155 -12.453 -7.762 1.00 0.00 C ATOM 111 OG SER A 11 6.715 -13.572 -8.514 1.00 0.00 O ATOM 0 H SER A 11 4.832 -11.554 -7.551 1.00 0.00 H new ATOM 0 HA SER A 11 6.436 -13.331 -5.937 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.997 -11.540 -8.336 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.227 -12.532 -7.579 1.00 0.00 H new ATOM 0 HG SER A 11 7.205 -13.609 -9.362 1.00 0.00 H new ATOM 117 N LEU A 12 6.466 -11.051 -4.388 1.00 0.00 N ATOM 118 CA LEU A 12 7.012 -10.092 -3.434 1.00 0.00 C ATOM 119 C LEU A 12 7.379 -10.778 -2.122 1.00 0.00 C ATOM 120 O LEU A 12 7.121 -11.967 -1.938 1.00 0.00 O ATOM 121 CB LEU A 12 6.003 -8.973 -3.172 1.00 0.00 C ATOM 122 CG LEU A 12 5.645 -8.097 -4.374 1.00 0.00 C ATOM 123 CD1 LEU A 12 4.385 -7.294 -4.093 1.00 0.00 C ATOM 124 CD2 LEU A 12 6.802 -7.172 -4.722 1.00 0.00 C ATOM 0 H LEU A 12 5.579 -11.469 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 12 7.917 -9.664 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.086 -9.420 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.399 -8.331 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 12 5.454 -8.746 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.146 -6.677 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.557 -7.974 -3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.547 -6.654 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.530 -6.556 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.024 -6.530 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.682 -7.767 -4.967 1.00 0.00 H new ATOM 136 N GLY A 13 7.982 -10.020 -1.212 1.00 0.00 N ATOM 137 CA GLY A 13 8.373 -10.571 0.072 1.00 0.00 C ATOM 138 C GLY A 13 7.538 -10.028 1.215 1.00 0.00 C ATOM 139 O GLY A 13 6.698 -9.151 1.016 1.00 0.00 O ATOM 0 H GLY A 13 8.207 -9.034 -1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.279 -11.657 0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.424 -10.347 0.255 1.00 0.00 H new ATOM 143 N ASP A 14 7.768 -10.551 2.414 1.00 0.00 N ATOM 144 CA ASP A 14 7.030 -10.114 3.593 1.00 0.00 C ATOM 145 C ASP A 14 7.293 -8.639 3.883 1.00 0.00 C ATOM 146 O ASP A 14 6.360 -7.850 4.041 1.00 0.00 O ATOM 147 CB ASP A 14 7.417 -10.961 4.807 1.00 0.00 C ATOM 148 CG ASP A 14 7.576 -12.428 4.461 1.00 0.00 C ATOM 149 OD1 ASP A 14 6.550 -13.135 4.389 1.00 0.00 O ATOM 150 OD2 ASP A 14 8.728 -12.870 4.263 1.00 0.00 O ATOM 0 H ASP A 14 8.460 -11.278 2.595 1.00 0.00 H new ATOM 0 HA ASP A 14 5.966 -10.243 3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.351 -10.586 5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.656 -10.853 5.579 1.00 0.00 H new ATOM 155 N THR A 15 8.569 -8.273 3.951 1.00 0.00 N ATOM 156 CA THR A 15 8.955 -6.894 4.224 1.00 0.00 C ATOM 157 C THR A 15 8.481 -5.961 3.115 1.00 0.00 C ATOM 158 O THR A 15 7.972 -4.873 3.382 1.00 0.00 O ATOM 159 CB THR A 15 10.481 -6.757 4.376 1.00 0.00 C ATOM 160 OG1 THR A 15 10.949 -7.624 5.415 1.00 0.00 O ATOM 161 CG2 THR A 15 10.867 -5.321 4.695 1.00 0.00 C ATOM 0 H THR A 15 9.353 -8.912 3.821 1.00 0.00 H new ATOM 0 HA THR A 15 8.477 -6.612 5.162 1.00 0.00 H new ATOM 0 HB THR A 15 10.945 -7.039 3.431 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.921 -7.533 5.505 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.950 -5.250 4.798 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.535 -4.667 3.888 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.393 -5.016 5.628 1.00 0.00 H new ATOM 169 N ALA A 16 8.650 -6.395 1.870 1.00 0.00 N ATOM 170 CA ALA A 16 8.237 -5.599 0.721 1.00 0.00 C ATOM 171 C ALA A 16 6.773 -5.187 0.837 1.00 0.00 C ATOM 172 O ALA A 16 6.438 -4.007 0.721 1.00 0.00 O ATOM 173 CB ALA A 16 8.469 -6.373 -0.568 1.00 0.00 C ATOM 0 H ALA A 16 9.070 -7.293 1.632 1.00 0.00 H new ATOM 0 HA ALA A 16 8.842 -4.693 0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.156 -5.767 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.528 -6.612 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.889 -7.296 -0.548 1.00 0.00 H new ATOM 179 N LEU A 17 5.904 -6.166 1.064 1.00 0.00 N ATOM 180 CA LEU A 17 4.475 -5.905 1.195 1.00 0.00 C ATOM 181 C LEU A 17 4.198 -4.955 2.356 1.00 0.00 C ATOM 182 O LEU A 17 3.627 -3.882 2.168 1.00 0.00 O ATOM 183 CB LEU A 17 3.714 -7.216 1.401 1.00 0.00 C ATOM 184 CG LEU A 17 3.373 -8.001 0.134 1.00 0.00 C ATOM 185 CD1 LEU A 17 2.793 -9.361 0.488 1.00 0.00 C ATOM 186 CD2 LEU A 17 2.402 -7.215 -0.736 1.00 0.00 C ATOM 0 H LEU A 17 6.164 -7.148 1.161 1.00 0.00 H new ATOM 0 HA LEU A 17 4.132 -5.433 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.306 -7.858 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.786 -6.995 1.928 1.00 0.00 H new ATOM 0 HG LEU A 17 4.292 -8.157 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.557 -9.905 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.521 -9.927 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.885 -9.227 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.171 -7.789 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.484 -7.027 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.855 -6.265 -1.020 1.00 0.00 H new ATOM 198 N GLN A 18 4.610 -5.358 3.554 1.00 0.00 N ATOM 199 CA GLN A 18 4.407 -4.541 4.745 1.00 0.00 C ATOM 200 C GLN A 18 4.786 -3.088 4.479 1.00 0.00 C ATOM 201 O GLN A 18 4.018 -2.173 4.772 1.00 0.00 O ATOM 202 CB GLN A 18 5.230 -5.090 5.911 1.00 0.00 C ATOM 203 CG GLN A 18 4.639 -6.343 6.537 1.00 0.00 C ATOM 204 CD GLN A 18 5.549 -6.960 7.580 1.00 0.00 C ATOM 205 OE1 GLN A 18 5.510 -6.587 8.753 1.00 0.00 O ATOM 206 NE2 GLN A 18 6.376 -7.909 7.158 1.00 0.00 N ATOM 0 H GLN A 18 5.086 -6.244 3.725 1.00 0.00 H new ATOM 0 HA GLN A 18 3.349 -4.579 5.006 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.239 -5.310 5.561 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.319 -4.319 6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.681 -6.098 6.996 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.440 -7.076 5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.375 -8.187 6.177 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.013 -8.360 7.815 1.00 0.00 H new ATOM 215 N ASN A 19 5.975 -2.884 3.922 1.00 0.00 N ATOM 216 CA ASN A 19 6.457 -1.541 3.618 1.00 0.00 C ATOM 217 C ASN A 19 5.576 -0.873 2.566 1.00 0.00 C ATOM 218 O ASN A 19 4.941 0.149 2.831 1.00 0.00 O ATOM 219 CB ASN A 19 7.905 -1.595 3.127 1.00 0.00 C ATOM 220 CG ASN A 19 8.904 -1.500 4.263 1.00 0.00 C ATOM 221 OD1 ASN A 19 9.542 -0.465 4.458 1.00 0.00 O ATOM 222 ND2 ASN A 19 9.046 -2.583 5.019 1.00 0.00 N ATOM 0 H ASN A 19 6.623 -3.631 3.672 1.00 0.00 H new ATOM 0 HA ASN A 19 6.413 -0.950 4.533 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.066 -2.525 2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.078 -0.779 2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.705 -2.579 5.798 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.496 -3.419 4.821 1.00 0.00 H new ATOM 229 N LEU A 20 5.542 -1.457 1.374 1.00 0.00 N ATOM 230 CA LEU A 20 4.738 -0.919 0.281 1.00 0.00 C ATOM 231 C LEU A 20 3.374 -0.459 0.784 1.00 0.00 C ATOM 232 O LEU A 20 2.807 0.506 0.273 1.00 0.00 O ATOM 233 CB LEU A 20 4.562 -1.972 -0.815 1.00 0.00 C ATOM 234 CG LEU A 20 4.407 -1.438 -2.239 1.00 0.00 C ATOM 235 CD1 LEU A 20 3.062 -0.748 -2.408 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.544 -0.485 -2.578 1.00 0.00 C ATOM 0 H LEU A 20 6.061 -2.303 1.139 1.00 0.00 H new ATOM 0 HA LEU A 20 5.262 -0.057 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.423 -2.640 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.685 -2.573 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 20 4.448 -2.281 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.970 -0.375 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.261 -1.459 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.990 0.085 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.417 -0.115 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.535 0.354 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.495 -1.011 -2.499 1.00 0.00 H new ATOM 248 N GLU A 21 2.855 -1.154 1.791 1.00 0.00 N ATOM 249 CA GLU A 21 1.557 -0.815 2.364 1.00 0.00 C ATOM 250 C GLU A 21 1.631 0.497 3.140 1.00 0.00 C ATOM 251 O GLU A 21 1.000 1.485 2.767 1.00 0.00 O ATOM 252 CB GLU A 21 1.072 -1.938 3.284 1.00 0.00 C ATOM 253 CG GLU A 21 0.724 -3.221 2.547 1.00 0.00 C ATOM 254 CD GLU A 21 0.613 -4.414 3.476 1.00 0.00 C ATOM 255 OE1 GLU A 21 0.293 -4.213 4.666 1.00 0.00 O ATOM 256 OE2 GLU A 21 0.846 -5.550 3.011 1.00 0.00 O ATOM 0 H GLU A 21 3.313 -1.955 2.227 1.00 0.00 H new ATOM 0 HA GLU A 21 0.847 -0.694 1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.845 -2.151 4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.195 -1.594 3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.220 -3.088 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.486 -3.421 1.794 1.00 0.00 H new ATOM 263 N GLN A 22 2.405 0.496 4.220 1.00 0.00 N ATOM 264 CA GLN A 22 2.560 1.685 5.049 1.00 0.00 C ATOM 265 C GLN A 22 2.895 2.904 4.195 1.00 0.00 C ATOM 266 O GLN A 22 2.405 4.005 4.448 1.00 0.00 O ATOM 267 CB GLN A 22 3.655 1.465 6.095 1.00 0.00 C ATOM 268 CG GLN A 22 5.060 1.694 5.562 1.00 0.00 C ATOM 269 CD GLN A 22 6.103 1.727 6.662 1.00 0.00 C ATOM 270 OE1 GLN A 22 6.659 0.694 7.037 1.00 0.00 O ATOM 271 NE2 GLN A 22 6.374 2.916 7.186 1.00 0.00 N ATOM 0 H GLN A 22 2.934 -0.315 4.541 1.00 0.00 H new ATOM 0 HA GLN A 22 1.613 1.868 5.557 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.481 2.135 6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.582 0.447 6.477 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.309 0.904 4.854 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.087 2.635 5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.889 3.746 6.845 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.067 3.000 7.930 1.00 0.00 H new ATOM 280 N LEU A 23 3.732 2.700 3.184 1.00 0.00 N ATOM 281 CA LEU A 23 4.133 3.783 2.292 1.00 0.00 C ATOM 282 C LEU A 23 2.912 4.484 1.705 1.00 0.00 C ATOM 283 O LEU A 23 2.743 5.694 1.863 1.00 0.00 O ATOM 284 CB LEU A 23 5.015 3.242 1.166 1.00 0.00 C ATOM 285 CG LEU A 23 6.497 3.066 1.499 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.142 2.063 0.556 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.220 4.404 1.434 1.00 0.00 C ATOM 0 H LEU A 23 4.146 1.795 2.961 1.00 0.00 H new ATOM 0 HA LEU A 23 4.702 4.509 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.617 2.277 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.933 3.914 0.312 1.00 0.00 H new ATOM 0 HG LEU A 23 6.578 2.680 2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.196 1.952 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.642 1.099 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.051 2.418 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.274 4.260 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.130 4.818 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.775 5.093 2.152 1.00 0.00 H new ATOM 299 N LEU A 24 2.064 3.718 1.029 1.00 0.00 N ATOM 300 CA LEU A 24 0.856 4.265 0.420 1.00 0.00 C ATOM 301 C LEU A 24 -0.064 4.864 1.479 1.00 0.00 C ATOM 302 O LEU A 24 -0.627 5.942 1.287 1.00 0.00 O ATOM 303 CB LEU A 24 0.116 3.176 -0.359 1.00 0.00 C ATOM 304 CG LEU A 24 0.651 2.870 -1.758 1.00 0.00 C ATOM 305 CD1 LEU A 24 0.294 1.449 -2.167 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.108 3.870 -2.768 1.00 0.00 C ATOM 0 H LEU A 24 2.190 2.716 0.888 1.00 0.00 H new ATOM 0 HA LEU A 24 1.152 5.057 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.142 2.257 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.930 3.468 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 24 1.737 2.959 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.683 1.249 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.733 0.746 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.790 1.333 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.500 3.636 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.980 3.814 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.415 4.877 -2.485 1.00 0.00 H new ATOM 318 N ASP A 25 -0.210 4.160 2.595 1.00 0.00 N ATOM 319 CA ASP A 25 -1.060 4.623 3.686 1.00 0.00 C ATOM 320 C ASP A 25 -0.310 5.610 4.577 1.00 0.00 C ATOM 321 O ASP A 25 0.532 5.218 5.383 1.00 0.00 O ATOM 322 CB ASP A 25 -1.551 3.438 4.518 1.00 0.00 C ATOM 323 CG ASP A 25 -2.054 3.858 5.885 1.00 0.00 C ATOM 324 OD1 ASP A 25 -3.149 4.455 5.957 1.00 0.00 O ATOM 325 OD2 ASP A 25 -1.353 3.590 6.883 1.00 0.00 O ATOM 0 H ASP A 25 0.249 3.266 2.769 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.920 5.133 3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.351 2.928 3.981 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.739 2.721 4.638 1.00 0.00 H new ATOM 330 N GLY A 26 -0.622 6.893 4.423 1.00 0.00 N ATOM 331 CA GLY A 26 0.031 7.916 5.219 1.00 0.00 C ATOM 332 C GLY A 26 0.102 9.250 4.503 1.00 0.00 C ATOM 333 O GLY A 26 -0.028 9.331 3.281 1.00 0.00 O ATOM 0 H GLY A 26 -1.315 7.242 3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.507 8.040 6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.040 7.588 5.470 1.00 0.00 H new ATOM 337 N PRO A 27 0.312 10.329 5.273 1.00 0.00 N ATOM 338 CA PRO A 27 0.403 11.686 4.726 1.00 0.00 C ATOM 339 C PRO A 27 1.675 11.898 3.912 1.00 0.00 C ATOM 340 O PRO A 27 1.625 12.388 2.784 1.00 0.00 O ATOM 341 CB PRO A 27 0.414 12.571 5.975 1.00 0.00 C ATOM 342 CG PRO A 27 0.951 11.697 7.055 1.00 0.00 C ATOM 343 CD PRO A 27 0.477 10.306 6.736 1.00 0.00 C ATOM 0 HA PRO A 27 -0.414 11.905 4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.040 13.452 5.831 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.587 12.928 6.216 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.040 11.741 7.087 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.590 12.018 8.032 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.202 9.553 7.047 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.460 10.075 7.243 1.00 0.00 H new ATOM 351 N GLU A 28 2.812 11.526 4.491 1.00 0.00 N ATOM 352 CA GLU A 28 4.097 11.677 3.817 1.00 0.00 C ATOM 353 C GLU A 28 4.054 11.064 2.420 1.00 0.00 C ATOM 354 O GLU A 28 4.749 11.515 1.511 1.00 0.00 O ATOM 355 CB GLU A 28 5.209 11.022 4.639 1.00 0.00 C ATOM 356 CG GLU A 28 6.579 11.638 4.409 1.00 0.00 C ATOM 357 CD GLU A 28 7.607 11.167 5.419 1.00 0.00 C ATOM 358 OE1 GLU A 28 7.445 11.474 6.618 1.00 0.00 O ATOM 359 OE2 GLU A 28 8.574 10.491 5.009 1.00 0.00 O ATOM 0 H GLU A 28 2.870 11.118 5.424 1.00 0.00 H new ATOM 0 HA GLU A 28 4.305 12.743 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.959 11.097 5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.252 9.960 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.921 11.389 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.498 12.724 4.458 1.00 0.00 H new ATOM 366 N ALA A 29 3.232 10.032 2.258 1.00 0.00 N ATOM 367 CA ALA A 29 3.097 9.358 0.973 1.00 0.00 C ATOM 368 C ALA A 29 2.900 10.363 -0.157 1.00 0.00 C ATOM 369 O ALA A 29 1.843 10.982 -0.271 1.00 0.00 O ATOM 370 CB ALA A 29 1.937 8.373 1.013 1.00 0.00 C ATOM 0 H ALA A 29 2.650 9.645 3.001 1.00 0.00 H new ATOM 0 HA ALA A 29 4.019 8.810 0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.848 7.877 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.119 7.628 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.013 8.908 1.233 1.00 0.00 H new ATOM 376 N GLN A 30 3.926 10.521 -0.987 1.00 0.00 N ATOM 377 CA GLN A 30 3.865 11.453 -2.107 1.00 0.00 C ATOM 378 C GLN A 30 2.647 11.175 -2.981 1.00 0.00 C ATOM 379 O GLN A 30 2.261 12.002 -3.807 1.00 0.00 O ATOM 380 CB GLN A 30 5.141 11.360 -2.945 1.00 0.00 C ATOM 381 CG GLN A 30 6.414 11.568 -2.141 1.00 0.00 C ATOM 382 CD GLN A 30 7.597 10.814 -2.715 1.00 0.00 C ATOM 383 OE1 GLN A 30 8.516 11.411 -3.276 1.00 0.00 O ATOM 384 NE2 GLN A 30 7.581 9.493 -2.577 1.00 0.00 N ATOM 0 H GLN A 30 4.809 10.016 -0.905 1.00 0.00 H new ATOM 0 HA GLN A 30 3.777 12.462 -1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.180 10.382 -3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.098 12.104 -3.741 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.648 12.632 -2.107 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.247 11.246 -1.113 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.799 9.039 -2.105 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.351 8.933 -2.943 1.00 0.00 H new ATOM 393 N GLY A 31 2.045 10.004 -2.795 1.00 0.00 N ATOM 394 CA GLY A 31 0.877 9.637 -3.574 1.00 0.00 C ATOM 395 C GLY A 31 -0.293 9.221 -2.705 1.00 0.00 C ATOM 396 O GLY A 31 -0.701 9.957 -1.807 1.00 0.00 O ATOM 0 H GLY A 31 2.346 9.303 -2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.580 10.480 -4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.135 8.819 -4.246 1.00 0.00 H new ATOM 400 N SER A 32 -0.835 8.037 -2.972 1.00 0.00 N ATOM 401 CA SER A 32 -1.969 7.526 -2.211 1.00 0.00 C ATOM 402 C SER A 32 -2.311 6.101 -2.637 1.00 0.00 C ATOM 403 O SER A 32 -1.864 5.630 -3.683 1.00 0.00 O ATOM 404 CB SER A 32 -3.186 8.432 -2.399 1.00 0.00 C ATOM 405 OG SER A 32 -4.224 8.086 -1.498 1.00 0.00 O ATOM 0 H SER A 32 -0.507 7.414 -3.710 1.00 0.00 H new ATOM 0 HA SER A 32 -1.692 7.515 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.897 9.471 -2.244 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.548 8.352 -3.424 1.00 0.00 H new ATOM 0 HG SER A 32 -4.990 8.681 -1.637 1.00 0.00 H new ATOM 411 N TRP A 33 -3.105 5.421 -1.818 1.00 0.00 N ATOM 412 CA TRP A 33 -3.508 4.049 -2.109 1.00 0.00 C ATOM 413 C TRP A 33 -4.727 4.022 -3.024 1.00 0.00 C ATOM 414 O TRP A 33 -4.776 3.257 -3.986 1.00 0.00 O ATOM 415 CB TRP A 33 -3.811 3.299 -0.811 1.00 0.00 C ATOM 416 CG TRP A 33 -4.929 3.909 -0.020 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.817 4.825 0.986 1.00 0.00 C ATOM 418 CD2 TRP A 33 -6.328 3.644 -0.170 1.00 0.00 C ATOM 419 NE1 TRP A 33 -6.062 5.145 1.471 1.00 0.00 N ATOM 420 CE2 TRP A 33 -7.006 4.435 0.778 1.00 0.00 C ATOM 421 CE3 TRP A 33 -7.075 2.817 -1.014 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -8.392 4.421 0.905 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -8.451 2.804 -0.887 1.00 0.00 C ATOM 424 CH2 TRP A 33 -9.098 3.602 0.066 1.00 0.00 C ATOM 0 H TRP A 33 -3.482 5.796 -0.948 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.683 3.555 -2.621 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.064 2.266 -1.047 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.912 3.274 -0.196 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.887 5.237 1.347 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -6.252 5.805 2.225 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.585 2.199 -1.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.893 5.035 1.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -9.038 2.168 -1.533 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -10.175 3.570 0.140 1.00 0.00 H new ATOM 435 N ALA A 34 -5.710 4.863 -2.717 1.00 0.00 N ATOM 436 CA ALA A 34 -6.929 4.936 -3.514 1.00 0.00 C ATOM 437 C ALA A 34 -6.617 5.299 -4.962 1.00 0.00 C ATOM 438 O ALA A 34 -6.794 4.484 -5.866 1.00 0.00 O ATOM 439 CB ALA A 34 -7.894 5.946 -2.910 1.00 0.00 C ATOM 0 H ALA A 34 -5.686 5.503 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.398 3.952 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.800 5.991 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.150 5.643 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.424 6.929 -2.887 1.00 0.00 H new ATOM 445 N GLU A 35 -6.154 6.527 -5.173 1.00 0.00 N ATOM 446 CA GLU A 35 -5.820 6.997 -6.512 1.00 0.00 C ATOM 447 C GLU A 35 -5.147 5.894 -7.324 1.00 0.00 C ATOM 448 O GLU A 35 -5.509 5.645 -8.474 1.00 0.00 O ATOM 449 CB GLU A 35 -4.903 8.219 -6.434 1.00 0.00 C ATOM 450 CG GLU A 35 -4.416 8.703 -7.790 1.00 0.00 C ATOM 451 CD GLU A 35 -5.546 8.884 -8.785 1.00 0.00 C ATOM 452 OE1 GLU A 35 -6.244 7.890 -9.077 1.00 0.00 O ATOM 453 OE2 GLU A 35 -5.733 10.019 -9.271 1.00 0.00 O ATOM 0 H GLU A 35 -6.002 7.214 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.747 7.278 -7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.435 9.031 -5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.041 7.976 -5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.891 9.650 -7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.696 7.989 -8.189 1.00 0.00 H new ATOM 460 N LEU A 36 -4.166 5.236 -6.717 1.00 0.00 N ATOM 461 CA LEU A 36 -3.441 4.159 -7.382 1.00 0.00 C ATOM 462 C LEU A 36 -4.403 3.103 -7.916 1.00 0.00 C ATOM 463 O LEU A 36 -4.351 2.739 -9.090 1.00 0.00 O ATOM 464 CB LEU A 36 -2.445 3.515 -6.415 1.00 0.00 C ATOM 465 CG LEU A 36 -1.978 2.104 -6.774 1.00 0.00 C ATOM 466 CD1 LEU A 36 -0.912 2.154 -7.858 1.00 0.00 C ATOM 467 CD2 LEU A 36 -1.452 1.386 -5.540 1.00 0.00 C ATOM 0 H LEU A 36 -3.854 5.429 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.897 4.587 -8.224 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.569 4.159 -6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.899 3.485 -5.424 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.832 1.546 -7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.592 1.141 -8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.322 2.628 -8.750 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.057 2.729 -7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.124 0.383 -5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.611 1.942 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.244 1.317 -4.794 1.00 0.00 H new ATOM 479 N ALA A 37 -5.282 2.617 -7.046 1.00 0.00 N ATOM 480 CA ALA A 37 -6.259 1.606 -7.431 1.00 0.00 C ATOM 481 C ALA A 37 -6.918 1.958 -8.760 1.00 0.00 C ATOM 482 O ALA A 37 -7.095 1.097 -9.622 1.00 0.00 O ATOM 483 CB ALA A 37 -7.312 1.448 -6.344 1.00 0.00 C ATOM 0 H ALA A 37 -5.338 2.907 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.735 0.658 -7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.035 0.690 -6.645 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.832 1.143 -5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.824 2.398 -6.193 1.00 0.00 H new ATOM 489 N GLU A 38 -7.279 3.227 -8.919 1.00 0.00 N ATOM 490 CA GLU A 38 -7.919 3.691 -10.144 1.00 0.00 C ATOM 491 C GLU A 38 -6.997 3.504 -11.345 1.00 0.00 C ATOM 492 O GLU A 38 -7.430 3.071 -12.413 1.00 0.00 O ATOM 493 CB GLU A 38 -8.313 5.164 -10.014 1.00 0.00 C ATOM 494 CG GLU A 38 -9.234 5.446 -8.839 1.00 0.00 C ATOM 495 CD GLU A 38 -9.984 6.756 -8.987 1.00 0.00 C ATOM 496 OE1 GLU A 38 -10.849 6.847 -9.883 1.00 0.00 O ATOM 497 OE2 GLU A 38 -9.706 7.690 -8.206 1.00 0.00 O ATOM 0 H GLU A 38 -7.139 3.952 -8.215 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.818 3.094 -10.302 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.410 5.765 -9.909 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.803 5.483 -10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.951 4.631 -8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.648 5.469 -7.920 1.00 0.00 H new ATOM 504 N ARG A 39 -5.722 3.834 -11.162 1.00 0.00 N ATOM 505 CA ARG A 39 -4.738 3.705 -12.230 1.00 0.00 C ATOM 506 C ARG A 39 -4.657 2.263 -12.723 1.00 0.00 C ATOM 507 O ARG A 39 -4.571 2.011 -13.925 1.00 0.00 O ATOM 508 CB ARG A 39 -3.363 4.168 -11.744 1.00 0.00 C ATOM 509 CG ARG A 39 -3.273 5.667 -11.510 1.00 0.00 C ATOM 510 CD ARG A 39 -1.828 6.141 -11.494 1.00 0.00 C ATOM 511 NE ARG A 39 -1.718 7.570 -11.776 1.00 0.00 N ATOM 512 CZ ARG A 39 -1.851 8.092 -12.990 1.00 0.00 C ATOM 513 NH1 ARG A 39 -2.098 7.307 -14.030 1.00 0.00 N ATOM 514 NH2 ARG A 39 -1.738 9.403 -13.166 1.00 0.00 N ATOM 0 H ARG A 39 -5.347 4.193 -10.284 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.054 4.337 -13.060 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.121 3.649 -10.817 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.611 3.877 -12.478 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.821 6.192 -12.292 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.750 5.918 -10.563 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.388 5.929 -10.520 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.254 5.581 -12.232 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.529 8.202 -10.998 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.186 6.299 -13.899 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.200 7.711 -14.961 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.549 10.010 -12.369 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.840 9.803 -14.099 1.00 0.00 H new ATOM 528 N LEU A 40 -4.684 1.321 -11.787 1.00 0.00 N ATOM 529 CA LEU A 40 -4.613 -0.096 -12.125 1.00 0.00 C ATOM 530 C LEU A 40 -5.922 -0.574 -12.746 1.00 0.00 C ATOM 531 O LEU A 40 -5.928 -1.451 -13.608 1.00 0.00 O ATOM 532 CB LEU A 40 -4.296 -0.923 -10.878 1.00 0.00 C ATOM 533 CG LEU A 40 -3.046 -0.510 -10.099 1.00 0.00 C ATOM 534 CD1 LEU A 40 -3.062 -1.116 -8.704 1.00 0.00 C ATOM 535 CD2 LEU A 40 -1.789 -0.925 -10.849 1.00 0.00 C ATOM 0 H LEU A 40 -4.755 1.513 -10.788 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.815 -0.230 -12.855 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.152 -0.872 -10.205 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.186 -1.966 -11.176 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.044 0.576 -10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.165 -0.811 -8.165 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.944 -0.769 -8.166 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.088 -2.203 -8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.910 -0.623 -10.280 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.783 -2.007 -10.979 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.772 -0.442 -11.826 1.00 0.00 H new ATOM 547 N GLY A 41 -7.030 0.013 -12.303 1.00 0.00 N ATOM 548 CA GLY A 41 -8.330 -0.365 -12.828 1.00 0.00 C ATOM 549 C GLY A 41 -9.313 -0.730 -11.734 1.00 0.00 C ATOM 550 O GLY A 41 -10.458 -1.088 -12.012 1.00 0.00 O ATOM 0 H GLY A 41 -7.051 0.743 -11.591 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.735 0.459 -13.416 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.213 -1.212 -13.504 1.00 0.00 H new ATOM 554 N LEU A 42 -8.866 -0.642 -10.486 1.00 0.00 N ATOM 555 CA LEU A 42 -9.715 -0.969 -9.345 1.00 0.00 C ATOM 556 C LEU A 42 -10.293 0.296 -8.717 1.00 0.00 C ATOM 557 O LEU A 42 -10.140 0.531 -7.518 1.00 0.00 O ATOM 558 CB LEU A 42 -8.919 -1.753 -8.300 1.00 0.00 C ATOM 559 CG LEU A 42 -8.021 -2.867 -8.838 1.00 0.00 C ATOM 560 CD1 LEU A 42 -6.833 -3.088 -7.914 1.00 0.00 C ATOM 561 CD2 LEU A 42 -8.813 -4.155 -9.008 1.00 0.00 C ATOM 0 H LEU A 42 -7.921 -0.347 -10.238 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.540 -1.586 -9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.299 -1.051 -7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.621 -2.190 -7.590 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.644 -2.564 -9.815 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.205 -3.885 -8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.252 -2.169 -7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.190 -3.369 -6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.158 -4.937 -9.392 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.219 -4.462 -8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.630 -3.990 -9.710 1.00 0.00 H new ATOM 573 N ARG A 43 -10.959 1.105 -9.535 1.00 0.00 N ATOM 574 CA ARG A 43 -11.561 2.345 -9.059 1.00 0.00 C ATOM 575 C ARG A 43 -12.855 2.065 -8.301 1.00 0.00 C ATOM 576 O ARG A 43 -13.388 2.940 -7.619 1.00 0.00 O ATOM 577 CB ARG A 43 -11.838 3.285 -10.233 1.00 0.00 C ATOM 578 CG ARG A 43 -13.026 2.864 -11.083 1.00 0.00 C ATOM 579 CD ARG A 43 -13.708 4.064 -11.721 1.00 0.00 C ATOM 580 NE ARG A 43 -14.607 3.672 -12.803 1.00 0.00 N ATOM 581 CZ ARG A 43 -14.188 3.294 -14.006 1.00 0.00 C ATOM 582 NH1 ARG A 43 -12.891 3.257 -14.279 1.00 0.00 N ATOM 583 NH2 ARG A 43 -15.068 2.952 -14.938 1.00 0.00 N ATOM 0 H ARG A 43 -11.095 0.924 -10.530 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.858 2.823 -8.378 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.015 4.290 -9.849 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.951 3.336 -10.864 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.693 2.177 -11.861 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.743 2.323 -10.466 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.270 4.607 -10.962 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.952 4.747 -12.108 1.00 0.00 H new ATOM 0 HE ARG A 43 -15.611 3.689 -12.626 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.212 3.519 -13.565 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.572 2.966 -15.203 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -16.066 2.979 -14.731 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.746 2.662 -15.861 1.00 0.00 H new ATOM 597 N SER A 44 -13.355 0.840 -8.426 1.00 0.00 N ATOM 598 CA SER A 44 -14.589 0.446 -7.757 1.00 0.00 C ATOM 599 C SER A 44 -14.302 -0.075 -6.352 1.00 0.00 C ATOM 600 O SER A 44 -14.954 0.322 -5.385 1.00 0.00 O ATOM 601 CB SER A 44 -15.316 -0.626 -8.571 1.00 0.00 C ATOM 602 OG SER A 44 -16.621 -0.851 -8.067 1.00 0.00 O ATOM 0 H SER A 44 -12.924 0.103 -8.985 1.00 0.00 H new ATOM 0 HA SER A 44 -15.227 1.326 -7.677 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.374 -0.318 -9.615 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.747 -1.555 -8.544 1.00 0.00 H new ATOM 0 HG SER A 44 -17.065 -1.539 -8.605 1.00 0.00 H new ATOM 608 N LEU A 45 -13.323 -0.966 -6.246 1.00 0.00 N ATOM 609 CA LEU A 45 -12.948 -1.542 -4.960 1.00 0.00 C ATOM 610 C LEU A 45 -12.556 -0.452 -3.968 1.00 0.00 C ATOM 611 O LEU A 45 -12.579 -0.663 -2.755 1.00 0.00 O ATOM 612 CB LEU A 45 -11.790 -2.526 -5.137 1.00 0.00 C ATOM 613 CG LEU A 45 -12.172 -3.941 -5.573 1.00 0.00 C ATOM 614 CD1 LEU A 45 -11.007 -4.615 -6.281 1.00 0.00 C ATOM 615 CD2 LEU A 45 -12.620 -4.766 -4.375 1.00 0.00 C ATOM 0 H LEU A 45 -12.774 -1.306 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.812 -2.075 -4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.099 -2.115 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.248 -2.592 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.005 -3.872 -6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.298 -5.621 -6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.733 -4.036 -7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.154 -4.672 -5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.888 -5.770 -4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.808 -4.826 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.486 -4.293 -3.911 1.00 0.00 H new ATOM 627 N VAL A 46 -12.198 0.716 -4.491 1.00 0.00 N ATOM 628 CA VAL A 46 -11.804 1.842 -3.652 1.00 0.00 C ATOM 629 C VAL A 46 -12.872 2.149 -2.608 1.00 0.00 C ATOM 630 O VAL A 46 -12.561 2.567 -1.493 1.00 0.00 O ATOM 631 CB VAL A 46 -11.546 3.106 -4.494 1.00 0.00 C ATOM 632 CG1 VAL A 46 -11.341 4.314 -3.593 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.347 2.902 -5.407 1.00 0.00 C ATOM 0 H VAL A 46 -12.173 0.908 -5.493 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.880 1.555 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.421 3.292 -5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.160 5.198 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.232 4.470 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.484 4.141 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.179 3.805 -5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.463 2.691 -4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.538 2.064 -6.077 1.00 0.00 H new ATOM 643 N ASP A 47 -14.130 1.938 -2.978 1.00 0.00 N ATOM 644 CA ASP A 47 -15.245 2.191 -2.072 1.00 0.00 C ATOM 645 C ASP A 47 -15.382 1.065 -1.052 1.00 0.00 C ATOM 646 O ASP A 47 -16.013 1.232 -0.007 1.00 0.00 O ATOM 647 CB ASP A 47 -16.546 2.341 -2.861 1.00 0.00 C ATOM 648 CG ASP A 47 -16.554 3.582 -3.733 1.00 0.00 C ATOM 649 OD1 ASP A 47 -16.759 4.687 -3.189 1.00 0.00 O ATOM 650 OD2 ASP A 47 -16.357 3.447 -4.959 1.00 0.00 O ATOM 0 H ASP A 47 -14.404 1.593 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.044 3.119 -1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.692 1.460 -3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.386 2.382 -2.167 1.00 0.00 H new ATOM 655 N THR A 48 -14.788 -0.083 -1.361 1.00 0.00 N ATOM 656 CA THR A 48 -14.845 -1.237 -0.473 1.00 0.00 C ATOM 657 C THR A 48 -13.655 -1.258 0.479 1.00 0.00 C ATOM 658 O THR A 48 -13.736 -1.807 1.578 1.00 0.00 O ATOM 659 CB THR A 48 -14.876 -2.557 -1.267 1.00 0.00 C ATOM 660 OG1 THR A 48 -16.019 -2.582 -2.129 1.00 0.00 O ATOM 661 CG2 THR A 48 -14.916 -3.753 -0.328 1.00 0.00 C ATOM 0 H THR A 48 -14.261 -0.238 -2.221 1.00 0.00 H new ATOM 0 HA THR A 48 -15.766 -1.146 0.103 1.00 0.00 H new ATOM 0 HB THR A 48 -13.967 -2.617 -1.866 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.031 -3.423 -2.632 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.937 -4.673 -0.912 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.030 -3.747 0.307 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.809 -3.697 0.294 1.00 0.00 H new ATOM 669 N TYR A 49 -12.550 -0.657 0.051 1.00 0.00 N ATOM 670 CA TYR A 49 -11.342 -0.608 0.865 1.00 0.00 C ATOM 671 C TYR A 49 -11.477 0.424 1.981 1.00 0.00 C ATOM 672 O TYR A 49 -10.977 0.227 3.088 1.00 0.00 O ATOM 673 CB TYR A 49 -10.128 -0.278 -0.005 1.00 0.00 C ATOM 674 CG TYR A 49 -9.803 -1.349 -1.021 1.00 0.00 C ATOM 675 CD1 TYR A 49 -9.812 -2.693 -0.670 1.00 0.00 C ATOM 676 CD2 TYR A 49 -9.485 -1.017 -2.333 1.00 0.00 C ATOM 677 CE1 TYR A 49 -9.515 -3.676 -1.595 1.00 0.00 C ATOM 678 CE2 TYR A 49 -9.188 -1.993 -3.265 1.00 0.00 C ATOM 679 CZ TYR A 49 -9.204 -3.320 -2.891 1.00 0.00 C ATOM 680 OH TYR A 49 -8.907 -4.295 -3.816 1.00 0.00 O ATOM 0 H TYR A 49 -12.466 -0.197 -0.856 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.201 -1.589 1.318 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.309 0.662 -0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.262 -0.124 0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.055 -2.975 0.344 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.470 0.022 -2.629 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.526 -4.716 -1.305 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.945 -1.718 -4.281 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.484 -3.885 -4.599 1.00 0.00 H new ATOM 690 N ARG A 50 -12.158 1.525 1.679 1.00 0.00 N ATOM 691 CA ARG A 50 -12.360 2.590 2.655 1.00 0.00 C ATOM 692 C ARG A 50 -12.876 2.026 3.976 1.00 0.00 C ATOM 693 O ARG A 50 -12.477 2.475 5.050 1.00 0.00 O ATOM 694 CB ARG A 50 -13.344 3.628 2.112 1.00 0.00 C ATOM 695 CG ARG A 50 -12.682 4.727 1.297 1.00 0.00 C ATOM 696 CD ARG A 50 -13.712 5.667 0.690 1.00 0.00 C ATOM 697 NE ARG A 50 -13.142 6.489 -0.375 1.00 0.00 N ATOM 698 CZ ARG A 50 -12.494 7.628 -0.157 1.00 0.00 C ATOM 699 NH1 ARG A 50 -12.335 8.078 1.080 1.00 0.00 N ATOM 700 NH2 ARG A 50 -12.004 8.319 -1.178 1.00 0.00 N ATOM 0 H ARG A 50 -12.579 1.703 0.767 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.398 3.071 2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.085 3.124 1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.880 4.079 2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.001 5.293 1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.082 4.282 0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.544 5.086 0.293 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.117 6.313 1.469 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.247 6.171 -1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.711 7.549 1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.837 8.953 1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.125 7.976 -2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.507 9.193 -1.010 1.00 0.00 H new ATOM 714 N GLN A 51 -13.764 1.041 3.886 1.00 0.00 N ATOM 715 CA GLN A 51 -14.335 0.418 5.074 1.00 0.00 C ATOM 716 C GLN A 51 -13.241 -0.175 5.956 1.00 0.00 C ATOM 717 O GLN A 51 -13.052 0.246 7.098 1.00 0.00 O ATOM 718 CB GLN A 51 -15.331 -0.672 4.676 1.00 0.00 C ATOM 719 CG GLN A 51 -16.536 -0.145 3.913 1.00 0.00 C ATOM 720 CD GLN A 51 -17.554 -1.226 3.609 1.00 0.00 C ATOM 721 OE1 GLN A 51 -18.052 -1.898 4.513 1.00 0.00 O ATOM 722 NE2 GLN A 51 -17.868 -1.402 2.331 1.00 0.00 N ATOM 0 H GLN A 51 -14.103 0.658 3.004 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.858 1.188 5.641 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.819 -1.414 4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -15.676 -1.184 5.575 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -17.013 0.644 4.495 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -16.201 0.306 2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -17.431 -0.823 1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.546 -2.116 2.066 1.00 0.00 H new ATOM 731 N THR A 52 -12.522 -1.157 5.420 1.00 0.00 N ATOM 732 CA THR A 52 -11.448 -1.809 6.159 1.00 0.00 C ATOM 733 C THR A 52 -10.531 -0.784 6.816 1.00 0.00 C ATOM 734 O THR A 52 -10.476 0.373 6.399 1.00 0.00 O ATOM 735 CB THR A 52 -10.608 -2.719 5.242 1.00 0.00 C ATOM 736 OG1 THR A 52 -10.043 -1.951 4.174 1.00 0.00 O ATOM 737 CG2 THR A 52 -11.458 -3.844 4.670 1.00 0.00 C ATOM 0 H THR A 52 -12.664 -1.518 4.477 1.00 0.00 H new ATOM 0 HA THR A 52 -11.919 -2.418 6.931 1.00 0.00 H new ATOM 0 HB THR A 52 -9.807 -3.157 5.837 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.686 -1.271 3.884 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.843 -4.473 4.026 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.863 -4.445 5.485 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.278 -3.421 4.089 1.00 0.00 H new ATOM 745 N THR A 53 -9.811 -1.216 7.847 1.00 0.00 N ATOM 746 CA THR A 53 -8.897 -0.335 8.563 1.00 0.00 C ATOM 747 C THR A 53 -7.538 -0.276 7.874 1.00 0.00 C ATOM 748 O THR A 53 -6.871 0.758 7.884 1.00 0.00 O ATOM 749 CB THR A 53 -8.701 -0.793 10.020 1.00 0.00 C ATOM 750 OG1 THR A 53 -9.973 -0.979 10.651 1.00 0.00 O ATOM 751 CG2 THR A 53 -7.885 0.225 10.803 1.00 0.00 C ATOM 0 H THR A 53 -9.843 -2.171 8.205 1.00 0.00 H new ATOM 0 HA THR A 53 -9.347 0.658 8.559 1.00 0.00 H new ATOM 0 HB THR A 53 -8.159 -1.739 10.010 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.839 -1.272 11.577 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.760 -0.121 11.829 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.906 0.342 10.338 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.403 1.184 10.804 1.00 0.00 H new ATOM 759 N SER A 54 -7.135 -1.392 7.274 1.00 0.00 N ATOM 760 CA SER A 54 -5.854 -1.467 6.582 1.00 0.00 C ATOM 761 C SER A 54 -6.052 -1.808 5.108 1.00 0.00 C ATOM 762 O SER A 54 -5.823 -2.935 4.670 1.00 0.00 O ATOM 763 CB SER A 54 -4.954 -2.513 7.243 1.00 0.00 C ATOM 764 OG SER A 54 -5.601 -3.772 7.312 1.00 0.00 O ATOM 0 H SER A 54 -7.677 -2.256 7.253 1.00 0.00 H new ATOM 0 HA SER A 54 -5.374 -0.491 6.650 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.026 -2.608 6.679 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.685 -2.184 8.246 1.00 0.00 H new ATOM 0 HG SER A 54 -5.837 -4.068 6.408 1.00 0.00 H new ATOM 770 N PRO A 55 -6.488 -0.811 4.325 1.00 0.00 N ATOM 771 CA PRO A 55 -6.726 -0.979 2.888 1.00 0.00 C ATOM 772 C PRO A 55 -5.432 -1.161 2.103 1.00 0.00 C ATOM 773 O PRO A 55 -5.441 -1.665 0.980 1.00 0.00 O ATOM 774 CB PRO A 55 -7.415 0.327 2.487 1.00 0.00 C ATOM 775 CG PRO A 55 -6.958 1.322 3.497 1.00 0.00 C ATOM 776 CD PRO A 55 -6.781 0.558 4.781 1.00 0.00 C ATOM 0 HA PRO A 55 -7.315 -1.871 2.675 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.134 0.629 1.478 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.500 0.222 2.498 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.023 1.789 3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.690 2.121 3.616 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.967 0.964 5.382 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.680 0.593 5.397 1.00 0.00 H new ATOM 784 N SER A 56 -4.319 -0.749 2.702 1.00 0.00 N ATOM 785 CA SER A 56 -3.016 -0.864 2.057 1.00 0.00 C ATOM 786 C SER A 56 -2.684 -2.323 1.760 1.00 0.00 C ATOM 787 O SER A 56 -2.324 -2.673 0.637 1.00 0.00 O ATOM 788 CB SER A 56 -1.929 -0.251 2.942 1.00 0.00 C ATOM 789 OG SER A 56 -2.039 -0.713 4.278 1.00 0.00 O ATOM 0 H SER A 56 -4.294 -0.333 3.633 1.00 0.00 H new ATOM 0 HA SER A 56 -3.056 -0.319 1.114 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.946 -0.506 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.009 0.836 2.922 1.00 0.00 H new ATOM 0 HG SER A 56 -1.332 -0.308 4.823 1.00 0.00 H new ATOM 795 N GLY A 57 -2.807 -3.170 2.777 1.00 0.00 N ATOM 796 CA GLY A 57 -2.516 -4.582 2.606 1.00 0.00 C ATOM 797 C GLY A 57 -3.501 -5.269 1.682 1.00 0.00 C ATOM 798 O GLY A 57 -3.105 -5.930 0.722 1.00 0.00 O ATOM 0 H GLY A 57 -3.103 -2.904 3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.508 -4.696 2.207 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.532 -5.073 3.579 1.00 0.00 H new ATOM 802 N SER A 58 -4.789 -5.115 1.972 1.00 0.00 N ATOM 803 CA SER A 58 -5.834 -5.730 1.163 1.00 0.00 C ATOM 804 C SER A 58 -5.745 -5.263 -0.287 1.00 0.00 C ATOM 805 O SER A 58 -5.950 -6.044 -1.217 1.00 0.00 O ATOM 806 CB SER A 58 -7.214 -5.397 1.734 1.00 0.00 C ATOM 807 OG SER A 58 -7.394 -5.988 3.009 1.00 0.00 O ATOM 0 H SER A 58 -5.134 -4.569 2.762 1.00 0.00 H new ATOM 0 HA SER A 58 -5.689 -6.810 1.188 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.328 -4.316 1.811 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.988 -5.751 1.053 1.00 0.00 H new ATOM 0 HG SER A 58 -8.283 -5.759 3.353 1.00 0.00 H new ATOM 813 N LEU A 59 -5.438 -3.984 -0.472 1.00 0.00 N ATOM 814 CA LEU A 59 -5.321 -3.410 -1.808 1.00 0.00 C ATOM 815 C LEU A 59 -4.395 -4.250 -2.682 1.00 0.00 C ATOM 816 O LEU A 59 -4.741 -4.606 -3.809 1.00 0.00 O ATOM 817 CB LEU A 59 -4.799 -1.975 -1.724 1.00 0.00 C ATOM 818 CG LEU A 59 -4.459 -1.306 -3.056 1.00 0.00 C ATOM 819 CD1 LEU A 59 -5.657 -1.338 -3.992 1.00 0.00 C ATOM 820 CD2 LEU A 59 -3.994 0.126 -2.831 1.00 0.00 C ATOM 0 H LEU A 59 -5.265 -3.324 0.287 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.312 -3.403 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.547 -1.367 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.906 -1.970 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.646 -1.862 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.395 -0.857 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.944 -2.373 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.491 -0.807 -3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.756 0.586 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.786 0.693 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.106 0.125 -2.199 1.00 0.00 H new ATOM 832 N LEU A 60 -3.217 -4.565 -2.154 1.00 0.00 N ATOM 833 CA LEU A 60 -2.241 -5.366 -2.885 1.00 0.00 C ATOM 834 C LEU A 60 -2.698 -6.818 -2.991 1.00 0.00 C ATOM 835 O LEU A 60 -2.703 -7.400 -4.076 1.00 0.00 O ATOM 836 CB LEU A 60 -0.877 -5.297 -2.196 1.00 0.00 C ATOM 837 CG LEU A 60 -0.135 -3.965 -2.309 1.00 0.00 C ATOM 838 CD1 LEU A 60 0.833 -3.794 -1.149 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.600 -3.875 -3.638 1.00 0.00 C ATOM 0 H LEU A 60 -2.915 -4.278 -1.223 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.153 -4.958 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.014 -5.525 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.242 -6.080 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.867 -3.158 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.352 -2.841 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.281 -3.813 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.560 -4.606 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.122 -2.920 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.321 -4.689 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.116 -3.951 -4.456 1.00 0.00 H new ATOM 851 N ARG A 61 -3.082 -7.396 -1.858 1.00 0.00 N ATOM 852 CA ARG A 61 -3.541 -8.779 -1.823 1.00 0.00 C ATOM 853 C ARG A 61 -4.650 -9.010 -2.846 1.00 0.00 C ATOM 854 O ARG A 61 -4.764 -10.093 -3.419 1.00 0.00 O ATOM 855 CB ARG A 61 -4.042 -9.138 -0.423 1.00 0.00 C ATOM 856 CG ARG A 61 -2.926 -9.342 0.589 1.00 0.00 C ATOM 857 CD ARG A 61 -2.201 -10.659 0.360 1.00 0.00 C ATOM 858 NE ARG A 61 -1.541 -11.138 1.572 1.00 0.00 N ATOM 859 CZ ARG A 61 -2.192 -11.657 2.607 1.00 0.00 C ATOM 860 NH1 ARG A 61 -3.513 -11.763 2.578 1.00 0.00 N ATOM 861 NH2 ARG A 61 -1.521 -12.071 3.674 1.00 0.00 N ATOM 0 H ARG A 61 -3.084 -6.928 -0.952 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.697 -9.421 -2.075 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.702 -8.347 -0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.639 -10.048 -0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.216 -8.518 0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.340 -9.324 1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.912 -11.409 0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.461 -10.533 -0.430 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.525 -11.070 1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.032 -11.446 1.759 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.010 -12.162 3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.504 -11.991 3.700 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.022 -12.469 4.468 1.00 0.00 H new ATOM 875 N SER A 62 -5.464 -7.984 -3.069 1.00 0.00 N ATOM 876 CA SER A 62 -6.567 -8.076 -4.020 1.00 0.00 C ATOM 877 C SER A 62 -6.109 -7.686 -5.422 1.00 0.00 C ATOM 878 O SER A 62 -6.468 -8.333 -6.406 1.00 0.00 O ATOM 879 CB SER A 62 -7.723 -7.176 -3.580 1.00 0.00 C ATOM 880 OG SER A 62 -8.256 -7.600 -2.337 1.00 0.00 O ATOM 0 H SER A 62 -5.381 -7.079 -2.605 1.00 0.00 H new ATOM 0 HA SER A 62 -6.910 -9.111 -4.043 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.375 -6.146 -3.498 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.506 -7.188 -4.338 1.00 0.00 H new ATOM 0 HG SER A 62 -7.695 -7.262 -1.608 1.00 0.00 H new ATOM 886 N TYR A 63 -5.314 -6.625 -5.504 1.00 0.00 N ATOM 887 CA TYR A 63 -4.808 -6.147 -6.785 1.00 0.00 C ATOM 888 C TYR A 63 -4.266 -7.301 -7.622 1.00 0.00 C ATOM 889 O TYR A 63 -4.302 -7.261 -8.852 1.00 0.00 O ATOM 890 CB TYR A 63 -3.713 -5.101 -6.567 1.00 0.00 C ATOM 891 CG TYR A 63 -2.845 -4.871 -7.783 1.00 0.00 C ATOM 892 CD1 TYR A 63 -3.406 -4.523 -9.006 1.00 0.00 C ATOM 893 CD2 TYR A 63 -1.464 -5.002 -7.710 1.00 0.00 C ATOM 894 CE1 TYR A 63 -2.617 -4.312 -10.120 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.667 -4.791 -8.819 1.00 0.00 C ATOM 896 CZ TYR A 63 -1.248 -4.447 -10.021 1.00 0.00 C ATOM 897 OH TYR A 63 -0.458 -4.238 -11.128 1.00 0.00 O ATOM 0 H TYR A 63 -5.006 -6.080 -4.699 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.636 -5.688 -7.325 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.176 -4.158 -6.278 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.083 -5.415 -5.735 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.478 -4.416 -9.087 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.005 -5.273 -6.771 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.069 -4.043 -11.063 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.405 -4.895 -8.745 1.00 0.00 H new ATOM 0 HH TYR A 63 0.483 -4.372 -10.889 1.00 0.00 H new ATOM 907 N GLU A 64 -3.764 -8.329 -6.945 1.00 0.00 N ATOM 908 CA GLU A 64 -3.213 -9.495 -7.626 1.00 0.00 C ATOM 909 C GLU A 64 -4.322 -10.460 -8.037 1.00 0.00 C ATOM 910 O GLU A 64 -4.221 -11.143 -9.057 1.00 0.00 O ATOM 911 CB GLU A 64 -2.207 -10.212 -6.724 1.00 0.00 C ATOM 912 CG GLU A 64 -2.852 -11.155 -5.722 1.00 0.00 C ATOM 913 CD GLU A 64 -1.898 -11.579 -4.622 1.00 0.00 C ATOM 914 OE1 GLU A 64 -0.880 -12.230 -4.939 1.00 0.00 O ATOM 915 OE2 GLU A 64 -2.169 -11.261 -3.445 1.00 0.00 O ATOM 0 H GLU A 64 -3.727 -8.378 -5.927 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.703 -9.151 -8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.512 -10.776 -7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.621 -9.468 -6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.720 -10.668 -5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.215 -12.040 -6.244 1.00 0.00 H new ATOM 922 N LEU A 65 -5.380 -10.511 -7.235 1.00 0.00 N ATOM 923 CA LEU A 65 -6.509 -11.391 -7.514 1.00 0.00 C ATOM 924 C LEU A 65 -7.215 -10.981 -8.803 1.00 0.00 C ATOM 925 O LEU A 65 -7.717 -11.827 -9.543 1.00 0.00 O ATOM 926 CB LEU A 65 -7.499 -11.368 -6.348 1.00 0.00 C ATOM 927 CG LEU A 65 -6.976 -11.901 -5.013 1.00 0.00 C ATOM 928 CD1 LEU A 65 -7.956 -11.587 -3.893 1.00 0.00 C ATOM 929 CD2 LEU A 65 -6.723 -13.399 -5.098 1.00 0.00 C ATOM 0 H LEU A 65 -5.479 -9.953 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.126 -12.404 -7.638 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.832 -10.341 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.376 -11.950 -6.631 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.031 -11.406 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.568 -11.974 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.087 -10.508 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.917 -12.055 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.351 -13.760 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.653 -13.912 -5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.983 -13.600 -5.873 1.00 0.00 H new ATOM 941 N ALA A 66 -7.247 -9.679 -9.065 1.00 0.00 N ATOM 942 CA ALA A 66 -7.886 -9.157 -10.267 1.00 0.00 C ATOM 943 C ALA A 66 -7.089 -9.521 -11.515 1.00 0.00 C ATOM 944 O ALA A 66 -7.643 -9.624 -12.608 1.00 0.00 O ATOM 945 CB ALA A 66 -8.051 -7.648 -10.164 1.00 0.00 C ATOM 0 H ALA A 66 -6.838 -8.966 -8.461 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.872 -9.614 -10.352 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.529 -7.272 -11.068 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.670 -7.408 -9.299 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.072 -7.182 -10.050 1.00 0.00 H new ATOM 951 N GLY A 67 -5.785 -9.713 -11.344 1.00 0.00 N ATOM 952 CA GLY A 67 -4.933 -10.061 -12.465 1.00 0.00 C ATOM 953 C GLY A 67 -3.856 -9.025 -12.720 1.00 0.00 C ATOM 954 O GLY A 67 -3.438 -8.821 -13.859 1.00 0.00 O ATOM 0 H GLY A 67 -5.303 -9.634 -10.448 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.465 -11.027 -12.275 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.544 -10.173 -13.361 1.00 0.00 H new ATOM 958 N GLY A 68 -3.406 -8.367 -11.655 1.00 0.00 N ATOM 959 CA GLY A 68 -2.377 -7.353 -11.790 1.00 0.00 C ATOM 960 C GLY A 68 -1.010 -7.855 -11.370 1.00 0.00 C ATOM 961 O GLY A 68 -0.897 -8.692 -10.474 1.00 0.00 O ATOM 0 H GLY A 68 -3.736 -8.518 -10.702 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.335 -7.018 -12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.644 -6.486 -11.185 1.00 0.00 H new ATOM 965 N ASP A 69 0.031 -7.345 -12.019 1.00 0.00 N ATOM 966 CA ASP A 69 1.398 -7.747 -11.708 1.00 0.00 C ATOM 967 C ASP A 69 2.241 -6.541 -11.308 1.00 0.00 C ATOM 968 O ASP A 69 1.783 -5.399 -11.374 1.00 0.00 O ATOM 969 CB ASP A 69 2.031 -8.451 -12.910 1.00 0.00 C ATOM 970 CG ASP A 69 2.442 -7.480 -13.999 1.00 0.00 C ATOM 971 OD1 ASP A 69 1.568 -7.076 -14.793 1.00 0.00 O ATOM 972 OD2 ASP A 69 3.638 -7.126 -14.058 1.00 0.00 O ATOM 0 H ASP A 69 -0.046 -6.652 -12.764 1.00 0.00 H new ATOM 0 HA ASP A 69 1.365 -8.440 -10.867 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.905 -9.013 -12.580 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.324 -9.173 -13.319 1.00 0.00 H new ATOM 977 N LEU A 70 3.476 -6.801 -10.891 1.00 0.00 N ATOM 978 CA LEU A 70 4.384 -5.736 -10.478 1.00 0.00 C ATOM 979 C LEU A 70 4.375 -4.591 -11.486 1.00 0.00 C ATOM 980 O LEU A 70 4.239 -3.426 -11.115 1.00 0.00 O ATOM 981 CB LEU A 70 5.804 -6.283 -10.323 1.00 0.00 C ATOM 982 CG LEU A 70 6.747 -5.461 -9.442 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.243 -5.428 -8.007 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.158 -6.026 -9.501 1.00 0.00 C ATOM 0 H LEU A 70 3.871 -7.739 -10.830 1.00 0.00 H new ATOM 0 HA LEU A 70 4.042 -5.352 -9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.741 -7.291 -9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.249 -6.370 -11.314 1.00 0.00 H new ATOM 0 HG LEU A 70 6.770 -4.439 -9.821 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.926 -4.839 -7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.251 -4.977 -7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.190 -6.444 -7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.816 -5.429 -8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.152 -7.057 -9.148 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.519 -5.997 -10.529 1.00 0.00 H new ATOM 996 N ALA A 71 4.518 -4.932 -12.762 1.00 0.00 N ATOM 997 CA ALA A 71 4.522 -3.933 -13.824 1.00 0.00 C ATOM 998 C ALA A 71 3.387 -2.932 -13.639 1.00 0.00 C ATOM 999 O ALA A 71 3.623 -1.739 -13.453 1.00 0.00 O ATOM 1000 CB ALA A 71 4.417 -4.608 -15.184 1.00 0.00 C ATOM 0 H ALA A 71 4.633 -5.892 -13.086 1.00 0.00 H new ATOM 0 HA ALA A 71 5.464 -3.388 -13.773 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.421 -3.850 -15.968 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.265 -5.279 -15.324 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.490 -5.179 -15.236 1.00 0.00 H new ATOM 1006 N GLY A 72 2.153 -3.425 -13.694 1.00 0.00 N ATOM 1007 CA GLY A 72 1.000 -2.559 -13.532 1.00 0.00 C ATOM 1008 C GLY A 72 1.145 -1.615 -12.354 1.00 0.00 C ATOM 1009 O GLY A 72 0.601 -0.510 -12.364 1.00 0.00 O ATOM 0 H GLY A 72 1.932 -4.409 -13.848 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.854 -1.979 -14.443 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.107 -3.169 -13.397 1.00 0.00 H new ATOM 1013 N LEU A 73 1.879 -2.051 -11.336 1.00 0.00 N ATOM 1014 CA LEU A 73 2.092 -1.237 -10.144 1.00 0.00 C ATOM 1015 C LEU A 73 3.220 -0.235 -10.364 1.00 0.00 C ATOM 1016 O LEU A 73 3.129 0.921 -9.946 1.00 0.00 O ATOM 1017 CB LEU A 73 2.414 -2.130 -8.945 1.00 0.00 C ATOM 1018 CG LEU A 73 2.058 -1.562 -7.570 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.560 -1.323 -7.463 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.531 -2.499 -6.468 1.00 0.00 C ATOM 0 H LEU A 73 2.336 -2.962 -11.312 1.00 0.00 H new ATOM 0 HA LEU A 73 1.175 -0.684 -9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.890 -3.077 -9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.481 -2.352 -8.959 1.00 0.00 H new ATOM 0 HG LEU A 73 2.567 -0.606 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.325 -0.919 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.249 -0.613 -8.230 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.030 -2.265 -7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.270 -2.079 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.050 -3.470 -6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.612 -2.619 -6.532 1.00 0.00 H new ATOM 1032 N LEU A 74 4.283 -0.683 -11.023 1.00 0.00 N ATOM 1033 CA LEU A 74 5.429 0.176 -11.301 1.00 0.00 C ATOM 1034 C LEU A 74 5.045 1.306 -12.252 1.00 0.00 C ATOM 1035 O LEU A 74 5.661 2.371 -12.245 1.00 0.00 O ATOM 1036 CB LEU A 74 6.572 -0.644 -11.901 1.00 0.00 C ATOM 1037 CG LEU A 74 7.333 -1.547 -10.929 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.174 -2.561 -11.689 1.00 0.00 C ATOM 1039 CD2 LEU A 74 8.206 -0.715 -10.001 1.00 0.00 C ATOM 0 H LEU A 74 4.375 -1.636 -11.375 1.00 0.00 H new ATOM 0 HA LEU A 74 5.760 0.615 -10.360 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.167 -1.264 -12.700 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.283 0.043 -12.360 1.00 0.00 H new ATOM 0 HG LEU A 74 6.607 -2.090 -10.323 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.708 -3.195 -10.981 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.526 -3.178 -12.311 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.892 -2.038 -12.321 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.740 -1.374 -9.316 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.924 -0.145 -10.591 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.580 -0.029 -9.430 1.00 0.00 H new ATOM 1051 N GLU A 75 4.023 1.065 -13.066 1.00 0.00 N ATOM 1052 CA GLU A 75 3.556 2.063 -14.022 1.00 0.00 C ATOM 1053 C GLU A 75 2.838 3.205 -13.308 1.00 0.00 C ATOM 1054 O GLU A 75 2.870 4.350 -13.759 1.00 0.00 O ATOM 1055 CB GLU A 75 2.622 1.421 -15.049 1.00 0.00 C ATOM 1056 CG GLU A 75 1.734 2.420 -15.772 1.00 0.00 C ATOM 1057 CD GLU A 75 2.500 3.264 -16.772 1.00 0.00 C ATOM 1058 OE1 GLU A 75 3.517 2.775 -17.306 1.00 0.00 O ATOM 1059 OE2 GLU A 75 2.082 4.415 -17.020 1.00 0.00 O ATOM 0 H GLU A 75 3.502 0.188 -13.083 1.00 0.00 H new ATOM 0 HA GLU A 75 4.426 2.469 -14.538 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.219 0.881 -15.783 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.993 0.686 -14.546 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.937 1.885 -16.289 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.257 3.073 -15.041 1.00 0.00 H new ATOM 1066 N ALA A 76 2.192 2.884 -12.192 1.00 0.00 N ATOM 1067 CA ALA A 76 1.467 3.882 -11.415 1.00 0.00 C ATOM 1068 C ALA A 76 2.368 4.517 -10.360 1.00 0.00 C ATOM 1069 O ALA A 76 2.355 5.733 -10.168 1.00 0.00 O ATOM 1070 CB ALA A 76 0.245 3.256 -10.761 1.00 0.00 C ATOM 0 H ALA A 76 2.156 1.941 -11.806 1.00 0.00 H new ATOM 0 HA ALA A 76 1.138 4.668 -12.095 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.287 4.013 -10.184 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.415 2.856 -11.531 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.560 2.450 -10.099 1.00 0.00 H new ATOM 1076 N LEU A 77 3.148 3.686 -9.679 1.00 0.00 N ATOM 1077 CA LEU A 77 4.056 4.166 -8.642 1.00 0.00 C ATOM 1078 C LEU A 77 4.996 5.232 -9.193 1.00 0.00 C ATOM 1079 O LEU A 77 5.442 6.118 -8.463 1.00 0.00 O ATOM 1080 CB LEU A 77 4.866 3.002 -8.067 1.00 0.00 C ATOM 1081 CG LEU A 77 4.110 2.052 -7.138 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.926 0.795 -6.881 1.00 0.00 C ATOM 1083 CD2 LEU A 77 3.769 2.746 -5.827 1.00 0.00 C ATOM 0 H LEU A 77 3.171 2.677 -9.825 1.00 0.00 H new ATOM 0 HA LEU A 77 3.458 4.612 -7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.270 2.422 -8.897 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.716 3.412 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 77 3.179 1.763 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.372 0.131 -6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.118 0.287 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.874 1.065 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.231 2.055 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.688 3.065 -5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.144 3.616 -6.028 1.00 0.00 H new ATOM 1095 N SER A 78 5.293 5.143 -10.485 1.00 0.00 N ATOM 1096 CA SER A 78 6.181 6.100 -11.134 1.00 0.00 C ATOM 1097 C SER A 78 5.386 7.236 -11.769 1.00 0.00 C ATOM 1098 O SER A 78 5.942 8.277 -12.120 1.00 0.00 O ATOM 1099 CB SER A 78 7.030 5.400 -12.197 1.00 0.00 C ATOM 1100 OG SER A 78 8.134 4.732 -11.610 1.00 0.00 O ATOM 0 H SER A 78 4.931 4.417 -11.104 1.00 0.00 H new ATOM 0 HA SER A 78 6.838 6.521 -10.373 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.416 4.684 -12.743 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.387 6.132 -12.922 1.00 0.00 H new ATOM 0 HG SER A 78 8.660 4.291 -12.310 1.00 0.00 H new ATOM 1106 N ASP A 79 4.082 7.028 -11.913 1.00 0.00 N ATOM 1107 CA ASP A 79 3.208 8.035 -12.505 1.00 0.00 C ATOM 1108 C ASP A 79 2.591 8.920 -11.427 1.00 0.00 C ATOM 1109 O ASP A 79 2.157 10.038 -11.701 1.00 0.00 O ATOM 1110 CB ASP A 79 2.105 7.364 -13.325 1.00 0.00 C ATOM 1111 CG ASP A 79 2.480 7.216 -14.787 1.00 0.00 C ATOM 1112 OD1 ASP A 79 3.023 8.182 -15.361 1.00 0.00 O ATOM 1113 OD2 ASP A 79 2.229 6.133 -15.357 1.00 0.00 O ATOM 0 H ASP A 79 3.607 6.172 -11.628 1.00 0.00 H new ATOM 0 HA ASP A 79 3.810 8.662 -13.163 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.892 6.381 -12.906 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.189 7.950 -13.245 1.00 0.00 H new ATOM 1118 N MET A 80 2.553 8.411 -10.200 1.00 0.00 N ATOM 1119 CA MET A 80 1.989 9.155 -9.080 1.00 0.00 C ATOM 1120 C MET A 80 3.072 9.944 -8.351 1.00 0.00 C ATOM 1121 O MET A 80 2.780 10.898 -7.631 1.00 0.00 O ATOM 1122 CB MET A 80 1.291 8.204 -8.107 1.00 0.00 C ATOM 1123 CG MET A 80 0.185 7.382 -8.748 1.00 0.00 C ATOM 1124 SD MET A 80 -0.346 6.004 -7.712 1.00 0.00 S ATOM 1125 CE MET A 80 -0.919 6.876 -6.257 1.00 0.00 C ATOM 0 H MET A 80 2.906 7.486 -9.956 1.00 0.00 H new ATOM 0 HA MET A 80 1.257 9.858 -9.476 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.031 7.529 -7.677 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.872 8.783 -7.284 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.669 8.027 -8.954 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.532 6.998 -9.707 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.602 6.339 -5.363 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.497 7.881 -6.246 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.007 6.939 -6.276 1.00 0.00 H new ATOM 1135 N GLY A 81 4.324 9.539 -8.542 1.00 0.00 N ATOM 1136 CA GLY A 81 5.430 10.218 -7.895 1.00 0.00 C ATOM 1137 C GLY A 81 5.906 9.496 -6.650 1.00 0.00 C ATOM 1138 O GLY A 81 6.729 10.018 -5.897 1.00 0.00 O ATOM 0 H GLY A 81 4.591 8.752 -9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.258 10.308 -8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.126 11.230 -7.630 1.00 0.00 H new ATOM 1142 N LEU A 82 5.388 8.293 -6.431 1.00 0.00 N ATOM 1143 CA LEU A 82 5.763 7.498 -5.267 1.00 0.00 C ATOM 1144 C LEU A 82 7.070 6.752 -5.516 1.00 0.00 C ATOM 1145 O LEU A 82 7.157 5.544 -5.298 1.00 0.00 O ATOM 1146 CB LEU A 82 4.653 6.504 -4.924 1.00 0.00 C ATOM 1147 CG LEU A 82 3.299 7.112 -4.552 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.171 6.151 -4.894 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.265 7.473 -3.074 1.00 0.00 C ATOM 0 H LEU A 82 4.707 7.846 -7.045 1.00 0.00 H new ATOM 0 HA LEU A 82 5.907 8.176 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.509 5.842 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.991 5.885 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 82 3.160 8.024 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.216 6.600 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.183 5.942 -5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.305 5.221 -4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.295 7.904 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.426 6.576 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.050 8.198 -2.858 1.00 0.00 H new ATOM 1161 N GLU A 83 8.084 7.480 -5.973 1.00 0.00 N ATOM 1162 CA GLU A 83 9.387 6.886 -6.250 1.00 0.00 C ATOM 1163 C GLU A 83 9.773 5.890 -5.161 1.00 0.00 C ATOM 1164 O GLU A 83 10.256 4.796 -5.450 1.00 0.00 O ATOM 1165 CB GLU A 83 10.455 7.976 -6.362 1.00 0.00 C ATOM 1166 CG GLU A 83 10.647 8.774 -5.084 1.00 0.00 C ATOM 1167 CD GLU A 83 11.468 10.031 -5.299 1.00 0.00 C ATOM 1168 OE1 GLU A 83 11.409 10.595 -6.411 1.00 0.00 O ATOM 1169 OE2 GLU A 83 12.168 10.451 -4.354 1.00 0.00 O ATOM 0 H GLU A 83 8.029 8.481 -6.159 1.00 0.00 H new ATOM 0 HA GLU A 83 9.321 6.353 -7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.404 7.516 -6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.183 8.657 -7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.672 9.046 -4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.137 8.147 -4.339 1.00 0.00 H new ATOM 1176 N GLU A 84 9.557 6.278 -3.908 1.00 0.00 N ATOM 1177 CA GLU A 84 9.884 5.420 -2.775 1.00 0.00 C ATOM 1178 C GLU A 84 9.552 3.963 -3.083 1.00 0.00 C ATOM 1179 O GLU A 84 10.428 3.099 -3.073 1.00 0.00 O ATOM 1180 CB GLU A 84 9.125 5.874 -1.527 1.00 0.00 C ATOM 1181 CG GLU A 84 9.857 5.579 -0.228 1.00 0.00 C ATOM 1182 CD GLU A 84 9.473 6.531 0.888 1.00 0.00 C ATOM 1183 OE1 GLU A 84 9.053 7.666 0.582 1.00 0.00 O ATOM 1184 OE2 GLU A 84 9.593 6.140 2.068 1.00 0.00 O ATOM 0 H GLU A 84 9.157 7.181 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 84 10.955 5.500 -2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.940 6.946 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.152 5.383 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.642 4.556 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.932 5.640 -0.399 1.00 0.00 H new ATOM 1191 N GLY A 85 8.278 3.697 -3.357 1.00 0.00 N ATOM 1192 CA GLY A 85 7.852 2.344 -3.664 1.00 0.00 C ATOM 1193 C GLY A 85 8.665 1.719 -4.780 1.00 0.00 C ATOM 1194 O GLY A 85 9.401 0.757 -4.558 1.00 0.00 O ATOM 0 H GLY A 85 7.534 4.394 -3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.936 1.728 -2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.799 2.353 -3.947 1.00 0.00 H new ATOM 1198 N VAL A 86 8.532 2.264 -5.984 1.00 0.00 N ATOM 1199 CA VAL A 86 9.260 1.753 -7.140 1.00 0.00 C ATOM 1200 C VAL A 86 10.671 1.324 -6.754 1.00 0.00 C ATOM 1201 O VAL A 86 11.153 0.277 -7.187 1.00 0.00 O ATOM 1202 CB VAL A 86 9.344 2.806 -8.261 1.00 0.00 C ATOM 1203 CG1 VAL A 86 10.265 2.329 -9.374 1.00 0.00 C ATOM 1204 CG2 VAL A 86 7.957 3.119 -8.802 1.00 0.00 C ATOM 0 H VAL A 86 7.927 3.060 -6.185 1.00 0.00 H new ATOM 0 HA VAL A 86 8.707 0.888 -7.506 1.00 0.00 H new ATOM 0 HB VAL A 86 9.762 3.723 -7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.312 3.086 -10.157 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.264 2.160 -8.972 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.880 1.399 -9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.035 3.865 -9.593 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.509 2.210 -9.203 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.332 3.507 -7.998 1.00 0.00 H new ATOM 1214 N ARG A 87 11.329 2.140 -5.937 1.00 0.00 N ATOM 1215 CA ARG A 87 12.686 1.845 -5.493 1.00 0.00 C ATOM 1216 C ARG A 87 12.709 0.608 -4.600 1.00 0.00 C ATOM 1217 O ARG A 87 13.581 -0.252 -4.734 1.00 0.00 O ATOM 1218 CB ARG A 87 13.271 3.041 -4.740 1.00 0.00 C ATOM 1219 CG ARG A 87 13.664 4.198 -5.645 1.00 0.00 C ATOM 1220 CD ARG A 87 13.565 5.531 -4.920 1.00 0.00 C ATOM 1221 NE ARG A 87 13.995 6.644 -5.762 1.00 0.00 N ATOM 1222 CZ ARG A 87 14.225 7.868 -5.300 1.00 0.00 C ATOM 1223 NH1 ARG A 87 14.066 8.135 -4.011 1.00 0.00 N ATOM 1224 NH2 ARG A 87 14.614 8.829 -6.128 1.00 0.00 N ATOM 0 H ARG A 87 10.945 3.010 -5.569 1.00 0.00 H new ATOM 0 HA ARG A 87 13.295 1.647 -6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.541 3.393 -4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.148 2.714 -4.181 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.683 4.052 -6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.017 4.211 -6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.536 5.694 -4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.177 5.500 -4.019 1.00 0.00 H new ATOM 0 HE ARG A 87 14.126 6.472 -6.759 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.766 7.399 -3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.243 9.076 -3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.737 8.628 -7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.790 9.768 -5.772 1.00 0.00 H new ATOM 1238 N LEU A 88 11.747 0.525 -3.688 1.00 0.00 N ATOM 1239 CA LEU A 88 11.657 -0.607 -2.771 1.00 0.00 C ATOM 1240 C LEU A 88 11.356 -1.897 -3.528 1.00 0.00 C ATOM 1241 O LEU A 88 12.034 -2.909 -3.344 1.00 0.00 O ATOM 1242 CB LEU A 88 10.573 -0.353 -1.722 1.00 0.00 C ATOM 1243 CG LEU A 88 10.102 -1.576 -0.934 1.00 0.00 C ATOM 1244 CD1 LEU A 88 11.243 -2.149 -0.107 1.00 0.00 C ATOM 1245 CD2 LEU A 88 8.924 -1.214 -0.042 1.00 0.00 C ATOM 0 H LEU A 88 11.018 1.228 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 88 12.619 -0.717 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.946 0.388 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.710 0.088 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 88 9.775 -2.337 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.890 -3.019 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.058 -2.446 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.600 -1.394 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.602 -2.096 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.224 -0.435 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.100 -0.851 -0.657 1.00 0.00 H new ATOM 1257 N LEU A 89 10.337 -1.854 -4.379 1.00 0.00 N ATOM 1258 CA LEU A 89 9.948 -3.019 -5.166 1.00 0.00 C ATOM 1259 C LEU A 89 11.126 -3.546 -5.978 1.00 0.00 C ATOM 1260 O LEU A 89 11.439 -4.736 -5.936 1.00 0.00 O ATOM 1261 CB LEU A 89 8.788 -2.664 -6.099 1.00 0.00 C ATOM 1262 CG LEU A 89 7.430 -2.449 -5.430 1.00 0.00 C ATOM 1263 CD1 LEU A 89 6.423 -1.903 -6.430 1.00 0.00 C ATOM 1264 CD2 LEU A 89 6.926 -3.747 -4.816 1.00 0.00 C ATOM 0 H LEU A 89 9.765 -1.025 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 89 9.627 -3.801 -4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.050 -1.757 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.685 -3.460 -6.837 1.00 0.00 H new ATOM 0 HG LEU A 89 7.552 -1.717 -4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.463 -1.756 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.779 -0.950 -6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.305 -2.611 -7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.959 -3.575 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.821 -4.501 -5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.638 -4.096 -4.068 1.00 0.00 H new ATOM 1276 N ARG A 90 11.777 -2.652 -6.715 1.00 0.00 N ATOM 1277 CA ARG A 90 12.922 -3.027 -7.537 1.00 0.00 C ATOM 1278 C ARG A 90 14.018 -3.661 -6.685 1.00 0.00 C ATOM 1279 O ARG A 90 14.553 -4.714 -7.027 1.00 0.00 O ATOM 1280 CB ARG A 90 13.474 -1.803 -8.269 1.00 0.00 C ATOM 1281 CG ARG A 90 12.648 -1.391 -9.476 1.00 0.00 C ATOM 1282 CD ARG A 90 13.204 -0.136 -10.130 1.00 0.00 C ATOM 1283 NE ARG A 90 14.349 -0.427 -10.989 1.00 0.00 N ATOM 1284 CZ ARG A 90 15.283 0.466 -11.296 1.00 0.00 C ATOM 1285 NH1 ARG A 90 15.209 1.700 -10.816 1.00 0.00 N ATOM 1286 NH2 ARG A 90 16.295 0.126 -12.084 1.00 0.00 N ATOM 0 H ARG A 90 11.531 -1.663 -6.760 1.00 0.00 H new ATOM 0 HA ARG A 90 12.586 -3.760 -8.271 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.526 -0.966 -7.572 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.494 -2.013 -8.592 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.632 -2.204 -10.202 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.617 -1.217 -9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.422 0.343 -10.719 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.501 0.574 -9.358 1.00 0.00 H new ATOM 0 HE ARG A 90 14.436 -1.367 -11.374 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.433 1.966 -10.209 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.928 2.384 -11.054 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.356 -0.822 -12.455 1.00 0.00 H new ATOM 0 HH22 ARG A 90 17.012 0.813 -12.319 1.00 0.00 H new