USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 519 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 35 ASN : amide:sc= -0.0534 K(o=0.045,f=-3.1!) USER MOD Set 1.2: A 42 GLN : amide:sc= 0.0984 X(o=0.045,f=-0.029) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -3.99! C(o=-4!,f=-4!) USER MOD Single : A 22 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.92) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0322 K(o=-0.032,f=-2.1!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0527 USER MOD Single : A 52 THR OG1 : rot -77:sc= 0.502 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 61 SER OG : rot 180:sc= -0.182 USER MOD Single : A 66 SER OG : rot 148:sc= 0.747 USER MOD Single : A 69 TYR OH : rot -32:sc= 1.42 USER MOD Single : A 73 THR OG1 : rot 22:sc= 0.367! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -36:sc= 0.099 USER MOD Single : A 82 THR OG1 : rot 108:sc= 1.41 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 12.312 4.592 2.227 1.00 0.00 N ATOM 98 CA VAL A 10 11.519 3.395 1.978 1.00 0.00 C ATOM 99 C VAL A 10 11.361 2.565 3.247 1.00 0.00 C ATOM 100 O VAL A 10 12.235 1.771 3.593 1.00 0.00 O ATOM 101 CB VAL A 10 12.154 2.520 0.881 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.367 1.230 0.704 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.237 3.286 -0.430 1.00 0.00 C ATOM 0 HA VAL A 10 10.537 3.730 1.643 1.00 0.00 H new ATOM 0 HB VAL A 10 13.167 2.261 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.831 0.625 -0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.364 0.674 1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.342 1.466 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.688 2.652 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.235 3.577 -0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.847 4.178 -0.292 1.00 0.00 H new ATOM 113 N GLU A 11 10.241 2.756 3.937 1.00 0.00 N ATOM 114 CA GLU A 11 9.970 2.025 5.169 1.00 0.00 C ATOM 115 C GLU A 11 9.880 0.525 4.903 1.00 0.00 C ATOM 116 O GLU A 11 9.033 0.069 4.135 1.00 0.00 O ATOM 117 CB GLU A 11 8.669 2.519 5.806 1.00 0.00 C ATOM 118 CG GLU A 11 8.645 2.389 7.320 1.00 0.00 C ATOM 119 CD GLU A 11 7.741 3.413 7.979 1.00 0.00 C ATOM 120 OE1 GLU A 11 7.894 4.616 7.681 1.00 0.00 O ATOM 121 OE2 GLU A 11 6.883 3.011 8.792 1.00 0.00 O ATOM 0 H GLU A 11 9.507 3.410 3.664 1.00 0.00 H new ATOM 0 HA GLU A 11 10.795 2.206 5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.517 3.564 5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.834 1.957 5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.310 1.387 7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.658 2.502 7.707 1.00 0.00 H new ATOM 128 N SER A 12 10.762 -0.237 5.543 1.00 0.00 N ATOM 129 CA SER A 12 10.786 -1.685 5.373 1.00 0.00 C ATOM 130 C SER A 12 9.870 -2.367 6.384 1.00 0.00 C ATOM 131 O SER A 12 9.719 -1.901 7.514 1.00 0.00 O ATOM 132 CB SER A 12 12.214 -2.214 5.524 1.00 0.00 C ATOM 133 OG SER A 12 12.215 -3.576 5.913 1.00 0.00 O ATOM 0 H SER A 12 11.469 0.124 6.184 1.00 0.00 H new ATOM 0 HA SER A 12 10.425 -1.914 4.370 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.748 -2.102 4.581 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.748 -1.620 6.266 1.00 0.00 H new ATOM 0 HG SER A 12 13.139 -3.890 6.001 1.00 0.00 H new ATOM 139 N PHE A 13 9.260 -3.472 5.970 1.00 0.00 N ATOM 140 CA PHE A 13 8.357 -4.218 6.838 1.00 0.00 C ATOM 141 C PHE A 13 8.548 -5.722 6.658 1.00 0.00 C ATOM 142 O PHE A 13 9.202 -6.167 5.715 1.00 0.00 O ATOM 143 CB PHE A 13 6.904 -3.839 6.546 1.00 0.00 C ATOM 144 CG PHE A 13 6.483 -2.545 7.181 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.722 -1.336 6.547 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.847 -2.536 8.412 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.337 -0.144 7.130 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.459 -1.347 9.000 1.00 0.00 C ATOM 149 CZ PHE A 13 5.703 -0.149 8.357 1.00 0.00 C ATOM 0 H PHE A 13 9.375 -3.871 5.038 1.00 0.00 H new ATOM 0 HA PHE A 13 8.592 -3.960 7.871 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.765 -3.767 5.467 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.251 -4.637 6.899 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.215 -1.325 5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.652 -3.470 8.918 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.532 0.791 6.626 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.966 -1.354 9.961 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.399 0.782 8.813 1.00 0.00 H new ATOM 159 N LEU A 14 7.972 -6.498 7.570 1.00 0.00 N ATOM 160 CA LEU A 14 8.079 -7.952 7.513 1.00 0.00 C ATOM 161 C LEU A 14 6.929 -8.612 8.269 1.00 0.00 C ATOM 162 O LEU A 14 6.727 -8.360 9.457 1.00 0.00 O ATOM 163 CB LEU A 14 9.416 -8.408 8.098 1.00 0.00 C ATOM 164 CG LEU A 14 9.780 -9.877 7.876 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.653 -10.783 8.349 1.00 0.00 C ATOM 166 CD2 LEU A 14 10.093 -10.134 6.410 1.00 0.00 C ATOM 0 H LEU A 14 7.427 -6.145 8.357 1.00 0.00 H new ATOM 0 HA LEU A 14 8.025 -8.255 6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.206 -7.790 7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.405 -8.215 9.171 1.00 0.00 H new ATOM 0 HG LEU A 14 10.671 -10.103 8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.929 -11.824 8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.476 -10.619 9.412 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.745 -10.556 7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.350 -11.184 6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.221 -9.891 5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.933 -9.512 6.103 1.00 0.00 H new ATOM 178 N VAL A 15 6.179 -9.460 7.572 1.00 0.00 N ATOM 179 CA VAL A 15 5.052 -10.159 8.177 1.00 0.00 C ATOM 180 C VAL A 15 4.931 -11.579 7.635 1.00 0.00 C ATOM 181 O VAL A 15 5.775 -12.035 6.863 1.00 0.00 O ATOM 182 CB VAL A 15 3.729 -9.411 7.929 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.735 -8.065 8.638 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.489 -9.235 6.437 1.00 0.00 C ATOM 0 H VAL A 15 6.332 -9.679 6.588 1.00 0.00 H new ATOM 0 HA VAL A 15 5.242 -10.198 9.250 1.00 0.00 H new ATOM 0 HB VAL A 15 2.913 -10.007 8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.792 -7.551 8.451 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.858 -8.219 9.710 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.559 -7.459 8.262 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.550 -8.705 6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.307 -8.661 6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.438 -10.213 5.959 1.00 0.00 H new ATOM 194 N HIS A 16 3.873 -12.273 8.043 1.00 0.00 N ATOM 195 CA HIS A 16 3.640 -13.642 7.597 1.00 0.00 C ATOM 196 C HIS A 16 2.202 -13.820 7.117 1.00 0.00 C ATOM 197 O HIS A 16 1.349 -12.952 7.302 1.00 0.00 O ATOM 198 CB HIS A 16 3.938 -14.628 8.727 1.00 0.00 C ATOM 199 CG HIS A 16 2.715 -15.293 9.279 1.00 0.00 C ATOM 200 ND1 HIS A 16 2.624 -16.654 9.479 1.00 0.00 N ATOM 201 CD2 HIS A 16 1.529 -14.776 9.677 1.00 0.00 C ATOM 202 CE1 HIS A 16 1.434 -16.946 9.973 1.00 0.00 C ATOM 203 NE2 HIS A 16 0.750 -15.824 10.103 1.00 0.00 N ATOM 0 H HIS A 16 3.164 -11.910 8.681 1.00 0.00 H new ATOM 0 HA HIS A 16 4.311 -13.844 6.762 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.623 -15.392 8.360 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.450 -14.101 9.532 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.248 -13.733 9.662 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.081 -17.934 10.227 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.202 -15.748 10.461 1.00 0.00 H new ATOM 212 N PRO A 17 1.926 -14.970 6.485 1.00 0.00 N ATOM 213 CA PRO A 17 0.593 -15.288 5.965 1.00 0.00 C ATOM 214 C PRO A 17 -0.417 -15.544 7.078 1.00 0.00 C ATOM 215 O PRO A 17 -0.471 -16.636 7.642 1.00 0.00 O ATOM 216 CB PRO A 17 0.824 -16.562 5.150 1.00 0.00 C ATOM 217 CG PRO A 17 2.032 -17.187 5.758 1.00 0.00 C ATOM 218 CD PRO A 17 2.895 -16.049 6.229 1.00 0.00 C ATOM 0 HA PRO A 17 0.175 -14.465 5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.037 -17.229 5.205 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.984 -16.334 4.096 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.758 -17.839 6.588 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.561 -17.803 5.030 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.451 -16.312 7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.627 -15.761 5.475 1.00 0.00 H new ATOM 226 N GLY A 18 -1.217 -14.528 7.391 1.00 0.00 N ATOM 227 CA GLY A 18 -2.215 -14.664 8.436 1.00 0.00 C ATOM 228 C GLY A 18 -2.157 -13.534 9.444 1.00 0.00 C ATOM 229 O GLY A 18 -3.031 -13.412 10.302 1.00 0.00 O ATOM 0 H GLY A 18 -1.191 -13.614 6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.207 -14.694 7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.070 -15.614 8.951 1.00 0.00 H new ATOM 233 N ASP A 19 -1.124 -12.705 9.341 1.00 0.00 N ATOM 234 CA ASP A 19 -0.954 -11.578 10.252 1.00 0.00 C ATOM 235 C ASP A 19 -1.725 -10.358 9.757 1.00 0.00 C ATOM 236 O ASP A 19 -2.466 -10.435 8.775 1.00 0.00 O ATOM 237 CB ASP A 19 0.529 -11.234 10.401 1.00 0.00 C ATOM 238 CG ASP A 19 1.183 -11.977 11.549 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.545 -12.898 12.100 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.333 -11.638 11.896 1.00 0.00 O ATOM 0 H ASP A 19 -0.392 -12.792 8.636 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.351 -11.866 11.225 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.049 -11.473 9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.636 -10.161 10.559 1.00 0.00 H new ATOM 245 N LEU A 20 -1.547 -9.234 10.442 1.00 0.00 N ATOM 246 CA LEU A 20 -2.226 -7.997 10.072 1.00 0.00 C ATOM 247 C LEU A 20 -1.234 -6.970 9.536 1.00 0.00 C ATOM 248 O LEU A 20 -0.460 -6.384 10.294 1.00 0.00 O ATOM 249 CB LEU A 20 -2.972 -7.422 11.278 1.00 0.00 C ATOM 250 CG LEU A 20 -3.835 -6.190 11.008 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.946 -6.521 10.023 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.415 -5.649 12.307 1.00 0.00 C ATOM 0 H LEU A 20 -0.938 -9.154 11.257 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.943 -8.227 9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.609 -8.203 11.692 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.240 -7.167 12.045 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.204 -5.419 10.566 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.550 -5.632 9.843 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.510 -6.860 9.083 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.575 -7.309 10.436 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.027 -4.772 12.095 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.031 -6.416 12.778 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.604 -5.372 12.980 1.00 0.00 H new ATOM 264 N LEU A 21 -1.264 -6.755 8.225 1.00 0.00 N ATOM 265 CA LEU A 21 -0.369 -5.796 7.587 1.00 0.00 C ATOM 266 C LEU A 21 -0.870 -4.369 7.783 1.00 0.00 C ATOM 267 O LEU A 21 -1.881 -3.971 7.204 1.00 0.00 O ATOM 268 CB LEU A 21 -0.242 -6.103 6.094 1.00 0.00 C ATOM 269 CG LEU A 21 0.631 -5.145 5.283 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.057 -5.144 5.813 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.609 -5.520 3.809 1.00 0.00 C ATOM 0 H LEU A 21 -1.898 -7.232 7.584 1.00 0.00 H new ATOM 0 HA LEU A 21 0.611 -5.885 8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.160 -7.110 5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.241 -6.109 5.659 1.00 0.00 H new ATOM 0 HG LEU A 21 0.225 -4.139 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.664 -4.457 5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.057 -4.826 6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.473 -6.149 5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.236 -4.827 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.989 -6.534 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.414 -5.468 3.436 1.00 0.00 H new ATOM 283 N GLN A 22 -0.156 -3.604 8.602 1.00 0.00 N ATOM 284 CA GLN A 22 -0.528 -2.220 8.872 1.00 0.00 C ATOM 285 C GLN A 22 0.524 -1.257 8.332 1.00 0.00 C ATOM 286 O GLN A 22 1.724 -1.465 8.519 1.00 0.00 O ATOM 287 CB GLN A 22 -0.711 -2.004 10.376 1.00 0.00 C ATOM 288 CG GLN A 22 -2.126 -2.273 10.862 1.00 0.00 C ATOM 289 CD GLN A 22 -2.503 -1.424 12.060 1.00 0.00 C ATOM 290 OE1 GLN A 22 -2.135 -0.252 12.145 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.241 -2.012 12.994 1.00 0.00 N ATOM 0 H GLN A 22 0.683 -3.919 9.090 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.472 -2.018 8.365 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.021 -2.654 10.914 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.440 -0.977 10.623 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.828 -2.081 10.050 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.222 -3.327 11.124 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.524 -2.986 12.883 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.525 -1.490 13.823 1.00 0.00 H new ATOM 300 N LEU A 23 0.068 -0.205 7.662 1.00 0.00 N ATOM 301 CA LEU A 23 0.971 0.790 7.094 1.00 0.00 C ATOM 302 C LEU A 23 0.580 2.196 7.538 1.00 0.00 C ATOM 303 O LEU A 23 -0.449 2.390 8.186 1.00 0.00 O ATOM 304 CB LEU A 23 0.960 0.704 5.567 1.00 0.00 C ATOM 305 CG LEU A 23 1.529 -0.580 4.963 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.420 -0.551 3.446 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.976 -0.776 5.392 1.00 0.00 C ATOM 0 H LEU A 23 -0.921 -0.019 7.499 1.00 0.00 H new ATOM 0 HA LEU A 23 1.977 0.581 7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.068 0.818 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.524 1.549 5.171 1.00 0.00 H new ATOM 0 HG LEU A 23 0.944 -1.422 5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.830 -1.473 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.373 -0.459 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.979 0.300 3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.364 -1.695 4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.574 0.070 5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.027 -0.843 6.479 1.00 0.00 H new ATOM 319 N ARG A 24 1.407 3.174 7.184 1.00 0.00 N ATOM 320 CA ARG A 24 1.147 4.563 7.545 1.00 0.00 C ATOM 321 C ARG A 24 1.781 5.515 6.536 1.00 0.00 C ATOM 322 O ARG A 24 2.897 5.288 6.068 1.00 0.00 O ATOM 323 CB ARG A 24 1.685 4.856 8.947 1.00 0.00 C ATOM 324 CG ARG A 24 1.049 6.072 9.601 1.00 0.00 C ATOM 325 CD ARG A 24 1.520 6.243 11.037 1.00 0.00 C ATOM 326 NE ARG A 24 1.226 5.068 11.853 1.00 0.00 N ATOM 327 CZ ARG A 24 2.023 4.008 11.929 1.00 0.00 C ATOM 328 NH1 ARG A 24 3.158 3.976 11.243 1.00 0.00 N ATOM 329 NH2 ARG A 24 1.687 2.977 12.694 1.00 0.00 N ATOM 0 H ARG A 24 2.263 3.031 6.648 1.00 0.00 H new ATOM 0 HA ARG A 24 0.068 4.719 7.537 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.519 3.985 9.580 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.763 5.007 8.889 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.295 6.965 9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.036 5.971 9.583 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.594 6.431 11.046 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.039 7.118 11.475 1.00 0.00 H new ATOM 0 HE ARG A 24 0.361 5.061 12.394 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.421 4.767 10.655 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.768 3.161 11.304 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.816 2.998 13.224 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.300 2.164 12.752 1.00 0.00 H new ATOM 343 N CYS A 25 1.062 6.582 6.204 1.00 0.00 N ATOM 344 CA CYS A 25 1.553 7.569 5.249 1.00 0.00 C ATOM 345 C CYS A 25 1.710 8.934 5.912 1.00 0.00 C ATOM 346 O CYS A 25 0.734 9.533 6.363 1.00 0.00 O ATOM 347 CB CYS A 25 0.599 7.675 4.058 1.00 0.00 C ATOM 348 SG CYS A 25 1.061 8.955 2.847 1.00 0.00 S ATOM 0 H CYS A 25 0.137 6.786 6.582 1.00 0.00 H new ATOM 0 HA CYS A 25 2.530 7.241 4.895 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.557 6.710 3.553 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.405 7.885 4.428 1.00 0.00 H new ATOM 353 N ARG A 26 2.946 9.421 5.965 1.00 0.00 N ATOM 354 CA ARG A 26 3.232 10.715 6.573 1.00 0.00 C ATOM 355 C ARG A 26 2.497 11.833 5.840 1.00 0.00 C ATOM 356 O ARG A 26 2.796 12.133 4.683 1.00 0.00 O ATOM 357 CB ARG A 26 4.738 10.986 6.561 1.00 0.00 C ATOM 358 CG ARG A 26 5.478 10.362 7.733 1.00 0.00 C ATOM 359 CD ARG A 26 6.980 10.568 7.616 1.00 0.00 C ATOM 360 NE ARG A 26 7.407 11.836 8.202 1.00 0.00 N ATOM 361 CZ ARG A 26 8.656 12.090 8.575 1.00 0.00 C ATOM 362 NH1 ARG A 26 9.597 11.168 8.423 1.00 0.00 N ATOM 363 NH2 ARG A 26 8.967 13.268 9.100 1.00 0.00 N ATOM 0 H ARG A 26 3.765 8.939 5.594 1.00 0.00 H new ATOM 0 HA ARG A 26 2.883 10.689 7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.160 10.605 5.631 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.905 12.063 6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.121 10.800 8.665 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.258 9.295 7.777 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.498 9.747 8.112 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.269 10.539 6.565 1.00 0.00 H new ATOM 0 HE ARG A 26 6.707 12.567 8.332 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.362 10.261 8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.556 11.365 8.710 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.246 13.980 9.218 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.927 13.462 9.386 1.00 0.00 H new ATOM 477 N SER A 33 -5.193 15.334 -0.061 1.00 0.00 N ATOM 478 CA SER A 33 -5.647 13.976 -0.341 1.00 0.00 C ATOM 479 C SER A 33 -4.477 12.998 -0.321 1.00 0.00 C ATOM 480 O SER A 33 -3.324 13.395 -0.147 1.00 0.00 O ATOM 481 CB SER A 33 -6.350 13.920 -1.699 1.00 0.00 C ATOM 482 OG SER A 33 -7.735 14.186 -1.567 1.00 0.00 O ATOM 0 HA SER A 33 -6.353 13.687 0.438 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.900 14.647 -2.375 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.206 12.936 -2.146 1.00 0.00 H new ATOM 0 HG SER A 33 -8.161 14.146 -2.449 1.00 0.00 H new ATOM 488 N ILE A 34 -4.782 11.717 -0.499 1.00 0.00 N ATOM 489 CA ILE A 34 -3.756 10.681 -0.503 1.00 0.00 C ATOM 490 C ILE A 34 -4.033 9.637 -1.579 1.00 0.00 C ATOM 491 O ILE A 34 -5.183 9.276 -1.827 1.00 0.00 O ATOM 492 CB ILE A 34 -3.660 9.980 0.865 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.651 11.013 1.993 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.415 9.108 0.927 1.00 0.00 C ATOM 495 CD1 ILE A 34 -3.920 10.420 3.359 1.00 0.00 C ATOM 0 H ILE A 34 -5.731 11.372 -0.642 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.808 11.175 -0.716 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.534 9.341 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.683 11.514 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.401 11.775 1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.361 8.619 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.461 8.352 0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.530 9.727 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.898 11.210 4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.900 9.943 3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.155 9.679 3.591 1.00 0.00 H new ATOM 507 N ASN A 35 -2.971 9.153 -2.214 1.00 0.00 N ATOM 508 CA ASN A 35 -3.099 8.148 -3.263 1.00 0.00 C ATOM 509 C ASN A 35 -2.221 6.936 -2.966 1.00 0.00 C ATOM 510 O ASN A 35 -0.998 6.998 -3.089 1.00 0.00 O ATOM 511 CB ASN A 35 -2.721 8.745 -4.619 1.00 0.00 C ATOM 512 CG ASN A 35 -3.431 8.061 -5.771 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.646 7.862 -5.736 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.674 7.695 -6.799 1.00 0.00 N ATOM 0 H ASN A 35 -2.012 9.441 -2.021 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.139 7.822 -3.294 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.964 9.807 -4.625 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.643 8.664 -4.761 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.096 7.229 -7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.671 7.880 -6.785 1.00 0.00 H new ATOM 521 N TRP A 36 -2.854 5.836 -2.575 1.00 0.00 N ATOM 522 CA TRP A 36 -2.130 4.609 -2.261 1.00 0.00 C ATOM 523 C TRP A 36 -1.776 3.845 -3.532 1.00 0.00 C ATOM 524 O TRP A 36 -2.612 3.680 -4.422 1.00 0.00 O ATOM 525 CB TRP A 36 -2.965 3.723 -1.335 1.00 0.00 C ATOM 526 CG TRP A 36 -2.866 4.114 0.109 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.808 4.774 0.846 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.763 3.871 0.989 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.356 4.955 2.131 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.105 4.409 2.245 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.521 3.248 0.839 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.249 4.345 3.340 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.328 3.185 1.928 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.039 3.730 3.165 1.00 0.00 C ATOM 0 H TRP A 36 -3.866 5.768 -2.468 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.205 4.882 -1.754 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.009 3.767 -1.645 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.643 2.688 -1.447 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.766 5.105 0.474 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.869 5.421 2.879 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.230 2.824 -0.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.529 4.766 4.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.291 2.707 1.823 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.646 3.664 3.997 1.00 0.00 H new ATOM 545 N LEU A 37 -0.534 3.381 -3.612 1.00 0.00 N ATOM 546 CA LEU A 37 -0.070 2.633 -4.775 1.00 0.00 C ATOM 547 C LEU A 37 0.663 1.365 -4.351 1.00 0.00 C ATOM 548 O LEU A 37 1.166 1.272 -3.231 1.00 0.00 O ATOM 549 CB LEU A 37 0.850 3.505 -5.632 1.00 0.00 C ATOM 550 CG LEU A 37 0.201 4.726 -6.285 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.207 5.858 -6.417 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.374 4.360 -7.646 1.00 0.00 C ATOM 0 H LEU A 37 0.170 3.510 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.942 2.346 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.677 3.847 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.279 2.883 -6.418 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.615 5.065 -5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.727 6.718 -6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.572 6.138 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.044 5.531 -7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.832 5.241 -8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.425 3.996 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.127 3.581 -7.525 1.00 0.00 H new ATOM 564 N ARG A 38 0.721 0.391 -5.253 1.00 0.00 N ATOM 565 CA ARG A 38 1.394 -0.872 -4.973 1.00 0.00 C ATOM 566 C ARG A 38 2.037 -1.438 -6.235 1.00 0.00 C ATOM 567 O ARG A 38 1.345 -1.807 -7.184 1.00 0.00 O ATOM 568 CB ARG A 38 0.403 -1.884 -4.394 1.00 0.00 C ATOM 569 CG ARG A 38 1.048 -3.194 -3.971 1.00 0.00 C ATOM 570 CD ARG A 38 0.156 -3.970 -3.015 1.00 0.00 C ATOM 571 NE ARG A 38 -0.798 -4.818 -3.724 1.00 0.00 N ATOM 572 CZ ARG A 38 -1.869 -5.357 -3.152 1.00 0.00 C ATOM 573 NH1 ARG A 38 -2.120 -5.137 -1.869 1.00 0.00 N ATOM 574 NH2 ARG A 38 -2.691 -6.118 -3.864 1.00 0.00 N ATOM 0 H ARG A 38 0.310 0.452 -6.184 1.00 0.00 H new ATOM 0 HA ARG A 38 2.179 -0.682 -4.241 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.096 -1.440 -3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.367 -2.091 -5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.254 -3.801 -4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.006 -2.991 -3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.774 -4.587 -2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.385 -3.272 -2.376 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.633 -5.007 -4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.490 -4.553 -1.319 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.943 -5.552 -1.432 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.501 -6.289 -4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.513 -6.531 -3.424 1.00 0.00 H new ATOM 588 N ASP A 39 3.364 -1.502 -6.239 1.00 0.00 N ATOM 589 CA ASP A 39 4.100 -2.024 -7.385 1.00 0.00 C ATOM 590 C ASP A 39 3.872 -1.156 -8.619 1.00 0.00 C ATOM 591 O ASP A 39 3.985 -1.626 -9.750 1.00 0.00 O ATOM 592 CB ASP A 39 3.680 -3.465 -7.675 1.00 0.00 C ATOM 593 CG ASP A 39 4.503 -4.475 -6.899 1.00 0.00 C ATOM 594 OD1 ASP A 39 4.128 -4.790 -5.750 1.00 0.00 O ATOM 595 OD2 ASP A 39 5.522 -4.952 -7.442 1.00 0.00 O ATOM 0 H ASP A 39 3.952 -1.199 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 39 5.162 -2.006 -7.142 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.626 -3.591 -7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.780 -3.662 -8.742 1.00 0.00 H new ATOM 600 N GLY A 40 3.547 0.114 -8.392 1.00 0.00 N ATOM 601 CA GLY A 40 3.306 1.026 -9.494 1.00 0.00 C ATOM 602 C GLY A 40 1.886 0.941 -10.017 1.00 0.00 C ATOM 603 O GLY A 40 1.667 0.799 -11.220 1.00 0.00 O ATOM 0 H GLY A 40 3.447 0.526 -7.465 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.509 2.046 -9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.002 0.805 -10.303 1.00 0.00 H new ATOM 607 N VAL A 41 0.917 1.027 -9.111 1.00 0.00 N ATOM 608 CA VAL A 41 -0.490 0.959 -9.487 1.00 0.00 C ATOM 609 C VAL A 41 -1.391 1.320 -8.312 1.00 0.00 C ATOM 610 O VAL A 41 -1.052 1.065 -7.157 1.00 0.00 O ATOM 611 CB VAL A 41 -0.867 -0.445 -9.997 1.00 0.00 C ATOM 612 CG1 VAL A 41 -1.284 -1.339 -8.839 1.00 0.00 C ATOM 613 CG2 VAL A 41 -1.973 -0.354 -11.037 1.00 0.00 C ATOM 0 H VAL A 41 1.081 1.144 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.639 1.681 -10.290 1.00 0.00 H new ATOM 0 HB VAL A 41 0.009 -0.889 -10.470 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.547 -2.327 -9.218 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.458 -1.429 -8.133 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.146 -0.903 -8.335 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.227 -1.355 -11.387 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.854 0.109 -10.592 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.632 0.249 -11.879 1.00 0.00 H new ATOM 623 N GLN A 42 -2.541 1.914 -8.615 1.00 0.00 N ATOM 624 CA GLN A 42 -3.491 2.310 -7.583 1.00 0.00 C ATOM 625 C GLN A 42 -3.887 1.116 -6.720 1.00 0.00 C ATOM 626 O GLN A 42 -4.270 0.065 -7.235 1.00 0.00 O ATOM 627 CB GLN A 42 -4.737 2.930 -8.218 1.00 0.00 C ATOM 628 CG GLN A 42 -5.812 3.302 -7.210 1.00 0.00 C ATOM 629 CD GLN A 42 -5.667 4.722 -6.699 1.00 0.00 C ATOM 630 OE1 GLN A 42 -6.507 5.581 -6.971 1.00 0.00 O ATOM 631 NE2 GLN A 42 -4.599 4.977 -5.953 1.00 0.00 N ATOM 0 H GLN A 42 -2.837 2.131 -9.567 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.009 3.052 -6.946 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.446 3.822 -8.773 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.155 2.228 -8.940 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.793 3.184 -7.671 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.770 2.611 -6.368 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.928 4.235 -5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.449 5.915 -5.580 1.00 0.00 H new ATOM 640 N LEU A 43 -3.791 1.285 -5.406 1.00 0.00 N ATOM 641 CA LEU A 43 -4.139 0.221 -4.471 1.00 0.00 C ATOM 642 C LEU A 43 -5.651 0.121 -4.298 1.00 0.00 C ATOM 643 O LEU A 43 -6.379 1.082 -4.544 1.00 0.00 O ATOM 644 CB LEU A 43 -3.474 0.468 -3.116 1.00 0.00 C ATOM 645 CG LEU A 43 -3.608 -0.655 -2.087 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.964 -1.932 -2.604 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.987 -0.241 -0.761 1.00 0.00 C ATOM 0 H LEU A 43 -3.475 2.148 -4.964 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.776 -0.722 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.413 0.655 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.895 1.378 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.668 -0.847 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.069 -2.720 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.455 -2.239 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.906 -1.754 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.092 -1.053 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.930 -0.020 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.494 0.647 -0.383 1.00 0.00 H new ATOM 659 N ALA A 44 -6.117 -1.048 -3.869 1.00 0.00 N ATOM 660 CA ALA A 44 -7.542 -1.272 -3.659 1.00 0.00 C ATOM 661 C ALA A 44 -7.795 -1.983 -2.334 1.00 0.00 C ATOM 662 O ALA A 44 -6.939 -2.713 -1.837 1.00 0.00 O ATOM 663 CB ALA A 44 -8.126 -2.075 -4.811 1.00 0.00 C ATOM 0 H ALA A 44 -5.528 -1.854 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.036 -0.301 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.191 -2.235 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.986 -1.528 -5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.621 -3.039 -4.876 1.00 0.00 H new ATOM 669 N GLU A 45 -8.978 -1.763 -1.766 1.00 0.00 N ATOM 670 CA GLU A 45 -9.342 -2.382 -0.498 1.00 0.00 C ATOM 671 C GLU A 45 -10.181 -3.637 -0.726 1.00 0.00 C ATOM 672 O GLU A 45 -10.763 -3.821 -1.794 1.00 0.00 O ATOM 673 CB GLU A 45 -10.114 -1.391 0.376 1.00 0.00 C ATOM 674 CG GLU A 45 -9.667 0.050 0.201 1.00 0.00 C ATOM 675 CD GLU A 45 -10.726 1.046 0.635 1.00 0.00 C ATOM 676 OE1 GLU A 45 -11.844 0.609 0.981 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.437 2.261 0.629 1.00 0.00 O ATOM 0 H GLU A 45 -9.699 -1.161 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.423 -2.668 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.176 -1.464 0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.997 -1.674 1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.758 0.217 0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.417 0.224 -0.845 1.00 0.00 H new ATOM 684 N SER A 46 -10.237 -4.496 0.287 1.00 0.00 N ATOM 685 CA SER A 46 -11.000 -5.735 0.196 1.00 0.00 C ATOM 686 C SER A 46 -11.373 -6.246 1.585 1.00 0.00 C ATOM 687 O SER A 46 -11.063 -5.615 2.594 1.00 0.00 O ATOM 688 CB SER A 46 -10.197 -6.800 -0.553 1.00 0.00 C ATOM 689 OG SER A 46 -11.054 -7.691 -1.247 1.00 0.00 O ATOM 0 H SER A 46 -9.763 -4.357 1.180 1.00 0.00 H new ATOM 0 HA SER A 46 -11.917 -5.528 -0.355 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.519 -6.320 -1.258 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.581 -7.358 0.152 1.00 0.00 H new ATOM 0 HG SER A 46 -10.517 -8.361 -1.719 1.00 0.00 H new ATOM 695 N ASN A 47 -12.040 -7.395 1.626 1.00 0.00 N ATOM 696 CA ASN A 47 -12.456 -7.992 2.890 1.00 0.00 C ATOM 697 C ASN A 47 -11.308 -7.996 3.894 1.00 0.00 C ATOM 698 O ASN A 47 -11.528 -8.045 5.104 1.00 0.00 O ATOM 699 CB ASN A 47 -12.955 -9.421 2.663 1.00 0.00 C ATOM 700 CG ASN A 47 -14.303 -9.459 1.969 1.00 0.00 C ATOM 701 OD1 ASN A 47 -14.610 -8.604 1.138 1.00 0.00 O ATOM 702 ND2 ASN A 47 -15.115 -10.454 2.307 1.00 0.00 N ATOM 0 H ASN A 47 -12.304 -7.931 0.799 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.269 -7.390 3.297 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.226 -9.967 2.064 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -13.028 -9.934 3.622 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -16.035 -10.532 1.873 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -14.819 -11.141 3.001 1.00 0.00 H new ATOM 709 N ARG A 48 -10.082 -7.944 3.383 1.00 0.00 N ATOM 710 CA ARG A 48 -8.899 -7.943 4.234 1.00 0.00 C ATOM 711 C ARG A 48 -8.227 -6.572 4.229 1.00 0.00 C ATOM 712 O ARG A 48 -8.064 -5.944 5.276 1.00 0.00 O ATOM 713 CB ARG A 48 -7.907 -9.010 3.768 1.00 0.00 C ATOM 714 CG ARG A 48 -8.442 -10.428 3.879 1.00 0.00 C ATOM 715 CD ARG A 48 -7.456 -11.441 3.318 1.00 0.00 C ATOM 716 NE ARG A 48 -7.202 -11.228 1.895 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.602 -12.119 1.114 1.00 0.00 C ATOM 718 NH1 ARG A 48 -6.197 -13.278 1.614 1.00 0.00 N ATOM 719 NH2 ARG A 48 -6.407 -11.852 -0.171 1.00 0.00 N ATOM 0 H ARG A 48 -9.883 -7.902 2.384 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.215 -8.171 5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.635 -8.813 2.731 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.994 -8.928 4.358 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.648 -10.659 4.924 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.388 -10.504 3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.517 -11.376 3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.845 -12.448 3.470 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.502 -10.347 1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.346 -13.488 2.601 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.737 -13.960 1.012 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.718 -10.962 -0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.946 -12.537 -0.770 1.00 0.00 H new ATOM 733 N THR A 49 -7.839 -6.114 3.043 1.00 0.00 N ATOM 734 CA THR A 49 -7.184 -4.820 2.901 1.00 0.00 C ATOM 735 C THR A 49 -8.127 -3.682 3.275 1.00 0.00 C ATOM 736 O THR A 49 -9.295 -3.677 2.884 1.00 0.00 O ATOM 737 CB THR A 49 -6.678 -4.601 1.463 1.00 0.00 C ATOM 738 OG1 THR A 49 -5.853 -5.700 1.061 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.890 -3.304 1.358 1.00 0.00 C ATOM 0 H THR A 49 -7.967 -6.620 2.167 1.00 0.00 H new ATOM 0 HA THR A 49 -6.333 -4.821 3.581 1.00 0.00 H new ATOM 0 HB THR A 49 -7.543 -4.536 0.803 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.537 -5.554 0.145 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.543 -3.171 0.333 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.529 -2.466 1.636 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.032 -3.344 2.029 1.00 0.00 H new ATOM 747 N ARG A 50 -7.614 -2.718 4.033 1.00 0.00 N ATOM 748 CA ARG A 50 -8.412 -1.575 4.459 1.00 0.00 C ATOM 749 C ARG A 50 -7.610 -0.282 4.351 1.00 0.00 C ATOM 750 O ARG A 50 -6.669 -0.058 5.114 1.00 0.00 O ATOM 751 CB ARG A 50 -8.893 -1.770 5.898 1.00 0.00 C ATOM 752 CG ARG A 50 -9.511 -0.523 6.508 1.00 0.00 C ATOM 753 CD ARG A 50 -10.967 -0.366 6.099 1.00 0.00 C ATOM 754 NE ARG A 50 -11.649 0.661 6.883 1.00 0.00 N ATOM 755 CZ ARG A 50 -12.845 1.149 6.574 1.00 0.00 C ATOM 756 NH1 ARG A 50 -13.489 0.706 5.503 1.00 0.00 N ATOM 757 NH2 ARG A 50 -13.399 2.082 7.337 1.00 0.00 N ATOM 0 H ARG A 50 -6.649 -2.706 4.364 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.277 -1.502 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.626 -2.577 5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.051 -2.086 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.441 -0.575 7.594 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.947 0.355 6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.021 -0.109 5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.483 -1.318 6.222 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.181 1.023 7.714 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.066 -0.011 4.914 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.407 1.083 5.268 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.906 2.425 8.162 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.318 2.456 7.099 1.00 0.00 H new ATOM 771 N ILE A 51 -7.987 0.565 3.399 1.00 0.00 N ATOM 772 CA ILE A 51 -7.304 1.836 3.192 1.00 0.00 C ATOM 773 C ILE A 51 -8.076 2.986 3.829 1.00 0.00 C ATOM 774 O ILE A 51 -9.085 3.444 3.291 1.00 0.00 O ATOM 775 CB ILE A 51 -7.107 2.131 1.693 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.393 0.963 1.010 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.321 3.421 1.507 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.449 1.021 -0.500 1.00 0.00 C ATOM 0 H ILE A 51 -8.762 0.394 2.759 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.327 1.751 3.669 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.086 2.254 1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.350 0.950 1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.840 0.028 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.189 3.617 0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.865 4.248 1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.344 3.324 1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.923 0.162 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.489 1.003 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.976 1.940 -0.847 1.00 0.00 H new ATOM 790 N THR A 52 -7.595 3.450 4.978 1.00 0.00 N ATOM 791 CA THR A 52 -8.240 4.548 5.688 1.00 0.00 C ATOM 792 C THR A 52 -7.694 5.895 5.230 1.00 0.00 C ATOM 793 O THR A 52 -7.827 6.900 5.927 1.00 0.00 O ATOM 794 CB THR A 52 -8.049 4.420 7.211 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.656 4.477 7.537 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.642 3.117 7.723 1.00 0.00 C ATOM 0 H THR A 52 -6.761 3.083 5.437 1.00 0.00 H new ATOM 0 HA THR A 52 -9.304 4.493 5.456 1.00 0.00 H new ATOM 0 HB THR A 52 -8.568 5.250 7.691 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.236 3.617 7.328 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.495 3.049 8.801 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.709 3.090 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.148 2.276 7.236 1.00 0.00 H new ATOM 804 N GLY A 53 -7.078 5.910 4.051 1.00 0.00 N ATOM 805 CA GLY A 53 -6.521 7.140 3.520 1.00 0.00 C ATOM 806 C GLY A 53 -5.011 7.191 3.637 1.00 0.00 C ATOM 807 O GLY A 53 -4.303 7.160 2.631 1.00 0.00 O ATOM 0 H GLY A 53 -6.955 5.092 3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.805 7.241 2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.952 7.989 4.050 1.00 0.00 H new ATOM 811 N GLU A 54 -4.517 7.271 4.869 1.00 0.00 N ATOM 812 CA GLU A 54 -3.080 7.329 5.113 1.00 0.00 C ATOM 813 C GLU A 54 -2.610 6.103 5.890 1.00 0.00 C ATOM 814 O GLU A 54 -1.422 5.951 6.169 1.00 0.00 O ATOM 815 CB GLU A 54 -2.722 8.603 5.882 1.00 0.00 C ATOM 816 CG GLU A 54 -2.780 8.439 7.391 1.00 0.00 C ATOM 817 CD GLU A 54 -2.763 9.766 8.124 1.00 0.00 C ATOM 818 OE1 GLU A 54 -1.717 10.449 8.088 1.00 0.00 O ATOM 819 OE2 GLU A 54 -3.793 10.123 8.732 1.00 0.00 O ATOM 0 H GLU A 54 -5.090 7.297 5.713 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.574 7.342 4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.718 8.919 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.403 9.400 5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.684 7.892 7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.934 7.836 7.720 1.00 0.00 H new ATOM 826 N GLU A 55 -3.553 5.233 6.238 1.00 0.00 N ATOM 827 CA GLU A 55 -3.236 4.021 6.984 1.00 0.00 C ATOM 828 C GLU A 55 -3.901 2.802 6.351 1.00 0.00 C ATOM 829 O GLU A 55 -5.126 2.735 6.243 1.00 0.00 O ATOM 830 CB GLU A 55 -3.683 4.161 8.441 1.00 0.00 C ATOM 831 CG GLU A 55 -2.634 4.791 9.342 1.00 0.00 C ATOM 832 CD GLU A 55 -3.054 4.814 10.798 1.00 0.00 C ATOM 833 OE1 GLU A 55 -2.837 3.801 11.495 1.00 0.00 O ATOM 834 OE2 GLU A 55 -3.600 5.847 11.241 1.00 0.00 O ATOM 0 H GLU A 55 -4.542 5.345 6.015 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.156 3.879 6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.590 4.764 8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.939 3.175 8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.699 4.239 9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.438 5.810 9.008 1.00 0.00 H new ATOM 841 N VAL A 56 -3.085 1.840 5.934 1.00 0.00 N ATOM 842 CA VAL A 56 -3.593 0.622 5.312 1.00 0.00 C ATOM 843 C VAL A 56 -3.573 -0.545 6.293 1.00 0.00 C ATOM 844 O VAL A 56 -2.636 -0.693 7.077 1.00 0.00 O ATOM 845 CB VAL A 56 -2.772 0.245 4.065 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.232 -1.093 3.508 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.875 1.335 3.009 1.00 0.00 C ATOM 0 H VAL A 56 -2.069 1.880 6.015 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.622 0.824 5.013 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.726 0.151 4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.641 -1.343 2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.101 -1.867 4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.285 -1.030 3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.289 1.051 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.918 1.464 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.492 2.272 3.414 1.00 0.00 H new ATOM 857 N GLU A 57 -4.613 -1.372 6.242 1.00 0.00 N ATOM 858 CA GLU A 57 -4.714 -2.526 7.126 1.00 0.00 C ATOM 859 C GLU A 57 -5.250 -3.742 6.375 1.00 0.00 C ATOM 860 O GLU A 57 -6.392 -3.747 5.915 1.00 0.00 O ATOM 861 CB GLU A 57 -5.622 -2.207 8.316 1.00 0.00 C ATOM 862 CG GLU A 57 -5.625 -3.286 9.386 1.00 0.00 C ATOM 863 CD GLU A 57 -6.527 -2.945 10.556 1.00 0.00 C ATOM 864 OE1 GLU A 57 -6.259 -1.932 11.237 1.00 0.00 O ATOM 865 OE2 GLU A 57 -7.501 -3.691 10.791 1.00 0.00 O ATOM 0 H GLU A 57 -5.397 -1.264 5.598 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.714 -2.759 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.304 -1.265 8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.641 -2.061 7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.949 -4.229 8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.608 -3.436 9.748 1.00 0.00 H new ATOM 872 N VAL A 58 -4.417 -4.770 6.255 1.00 0.00 N ATOM 873 CA VAL A 58 -4.806 -5.992 5.560 1.00 0.00 C ATOM 874 C VAL A 58 -4.800 -7.187 6.506 1.00 0.00 C ATOM 875 O VAL A 58 -3.749 -7.597 6.997 1.00 0.00 O ATOM 876 CB VAL A 58 -3.869 -6.286 4.374 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.451 -7.380 3.491 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.614 -5.020 3.570 1.00 0.00 C ATOM 0 H VAL A 58 -3.468 -4.782 6.630 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.817 -5.834 5.184 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.915 -6.638 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.775 -7.574 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.577 -8.291 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.419 -7.060 3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.950 -5.246 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.559 -4.635 3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.150 -4.270 4.210 1.00 0.00 H new ATOM 888 N GLN A 59 -5.982 -7.742 6.757 1.00 0.00 N ATOM 889 CA GLN A 59 -6.113 -8.891 7.645 1.00 0.00 C ATOM 890 C GLN A 59 -5.706 -10.178 6.934 1.00 0.00 C ATOM 891 O GLN A 59 -5.913 -10.325 5.729 1.00 0.00 O ATOM 892 CB GLN A 59 -7.550 -9.008 8.154 1.00 0.00 C ATOM 893 CG GLN A 59 -8.024 -7.786 8.925 1.00 0.00 C ATOM 894 CD GLN A 59 -9.433 -7.945 9.461 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.857 -9.047 9.808 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.167 -6.841 9.532 1.00 0.00 N ATOM 0 H GLN A 59 -6.862 -7.415 6.358 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.446 -8.740 8.494 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.215 -9.173 7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.629 -9.885 8.796 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.343 -7.598 9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.983 -6.912 8.275 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.775 -5.948 9.233 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.123 -6.886 9.885 1.00 0.00 H new ATOM 905 N ASP A 60 -5.127 -11.106 7.687 1.00 0.00 N ATOM 906 CA ASP A 60 -4.692 -12.382 7.129 1.00 0.00 C ATOM 907 C ASP A 60 -3.765 -12.165 5.937 1.00 0.00 C ATOM 908 O ASP A 60 -3.842 -12.882 4.940 1.00 0.00 O ATOM 909 CB ASP A 60 -5.902 -13.216 6.704 1.00 0.00 C ATOM 910 CG ASP A 60 -5.628 -14.706 6.766 1.00 0.00 C ATOM 911 OD1 ASP A 60 -5.454 -15.231 7.886 1.00 0.00 O ATOM 912 OD2 ASP A 60 -5.589 -15.346 5.695 1.00 0.00 O ATOM 0 H ASP A 60 -4.948 -10.999 8.685 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.143 -12.920 7.901 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.748 -12.978 7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.188 -12.944 5.688 1.00 0.00 H new ATOM 917 N SER A 61 -2.889 -11.171 6.049 1.00 0.00 N ATOM 918 CA SER A 61 -1.949 -10.857 4.979 1.00 0.00 C ATOM 919 C SER A 61 -1.419 -12.132 4.330 1.00 0.00 C ATOM 920 O SER A 61 -1.476 -13.212 4.917 1.00 0.00 O ATOM 921 CB SER A 61 -0.785 -10.025 5.521 1.00 0.00 C ATOM 922 OG SER A 61 0.099 -10.825 6.288 1.00 0.00 O ATOM 0 H SER A 61 -2.811 -10.570 6.869 1.00 0.00 H new ATOM 0 HA SER A 61 -2.478 -10.278 4.222 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.242 -9.569 4.693 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.170 -9.211 6.135 1.00 0.00 H new ATOM 0 HG SER A 61 0.835 -10.271 6.622 1.00 0.00 H new ATOM 928 N VAL A 62 -0.903 -11.998 3.112 1.00 0.00 N ATOM 929 CA VAL A 62 -0.361 -13.137 2.382 1.00 0.00 C ATOM 930 C VAL A 62 0.859 -12.734 1.561 1.00 0.00 C ATOM 931 O VAL A 62 1.092 -11.557 1.286 1.00 0.00 O ATOM 932 CB VAL A 62 -1.415 -13.756 1.444 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.166 -14.875 2.150 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.377 -12.688 0.947 1.00 0.00 C ATOM 0 H VAL A 62 -0.849 -11.111 2.610 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.067 -13.878 3.125 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.904 -14.182 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.906 -15.300 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.463 -15.651 2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.668 -14.477 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.115 -13.142 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.884 -12.231 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.823 -11.924 0.402 1.00 0.00 H new ATOM 944 N PRO A 63 1.658 -13.734 1.158 1.00 0.00 N ATOM 945 CA PRO A 63 2.867 -13.508 0.361 1.00 0.00 C ATOM 946 C PRO A 63 2.549 -13.058 -1.061 1.00 0.00 C ATOM 947 O PRO A 63 3.448 -12.886 -1.883 1.00 0.00 O ATOM 948 CB PRO A 63 3.545 -14.881 0.348 1.00 0.00 C ATOM 949 CG PRO A 63 2.435 -15.853 0.558 1.00 0.00 C ATOM 950 CD PRO A 63 1.441 -15.161 1.449 1.00 0.00 C ATOM 0 HA PRO A 63 3.487 -12.715 0.778 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.056 -15.061 -0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.295 -14.960 1.135 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.978 -16.135 -0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.801 -16.770 1.020 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.419 -15.466 1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.617 -15.388 2.500 1.00 0.00 H new ATOM 958 N ALA A 64 1.264 -12.870 -1.344 1.00 0.00 N ATOM 959 CA ALA A 64 0.829 -12.437 -2.666 1.00 0.00 C ATOM 960 C ALA A 64 0.468 -10.956 -2.667 1.00 0.00 C ATOM 961 O ALA A 64 0.423 -10.319 -3.720 1.00 0.00 O ATOM 962 CB ALA A 64 -0.356 -13.271 -3.130 1.00 0.00 C ATOM 0 H ALA A 64 0.507 -13.011 -0.676 1.00 0.00 H new ATOM 0 HA ALA A 64 1.657 -12.583 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.671 -12.937 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.066 -14.321 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.181 -13.153 -2.427 1.00 0.00 H new ATOM 968 N ASP A 65 0.212 -10.413 -1.482 1.00 0.00 N ATOM 969 CA ASP A 65 -0.144 -9.005 -1.347 1.00 0.00 C ATOM 970 C ASP A 65 1.103 -8.142 -1.182 1.00 0.00 C ATOM 971 O ASP A 65 1.097 -6.956 -1.510 1.00 0.00 O ATOM 972 CB ASP A 65 -1.079 -8.806 -0.153 1.00 0.00 C ATOM 973 CG ASP A 65 -2.458 -9.389 -0.394 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.624 -10.126 -1.388 1.00 0.00 O ATOM 975 OD2 ASP A 65 -3.371 -9.107 0.411 1.00 0.00 O ATOM 0 H ASP A 65 0.244 -10.926 -0.601 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.659 -8.697 -2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.640 -9.271 0.730 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.170 -7.741 0.060 1.00 0.00 H new ATOM 980 N SER A 66 2.171 -8.746 -0.670 1.00 0.00 N ATOM 981 CA SER A 66 3.424 -8.032 -0.456 1.00 0.00 C ATOM 982 C SER A 66 3.781 -7.184 -1.674 1.00 0.00 C ATOM 983 O SER A 66 3.165 -7.308 -2.732 1.00 0.00 O ATOM 984 CB SER A 66 4.554 -9.020 -0.159 1.00 0.00 C ATOM 985 OG SER A 66 4.098 -10.087 0.653 1.00 0.00 O ATOM 0 H SER A 66 2.193 -9.728 -0.396 1.00 0.00 H new ATOM 0 HA SER A 66 3.295 -7.370 0.401 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.951 -9.415 -1.094 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.372 -8.502 0.341 1.00 0.00 H new ATOM 0 HG SER A 66 4.591 -10.903 0.428 1.00 0.00 H new ATOM 991 N GLY A 67 4.780 -6.322 -1.515 1.00 0.00 N ATOM 992 CA GLY A 67 5.203 -5.466 -2.608 1.00 0.00 C ATOM 993 C GLY A 67 5.725 -4.127 -2.127 1.00 0.00 C ATOM 994 O GLY A 67 6.033 -3.960 -0.946 1.00 0.00 O ATOM 0 H GLY A 67 5.304 -6.201 -0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.981 -5.971 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.364 -5.304 -3.284 1.00 0.00 H new ATOM 998 N LEU A 68 5.828 -3.170 -3.042 1.00 0.00 N ATOM 999 CA LEU A 68 6.319 -1.838 -2.706 1.00 0.00 C ATOM 1000 C LEU A 68 5.183 -0.820 -2.721 1.00 0.00 C ATOM 1001 O LEU A 68 4.836 -0.278 -3.770 1.00 0.00 O ATOM 1002 CB LEU A 68 7.413 -1.414 -3.687 1.00 0.00 C ATOM 1003 CG LEU A 68 8.044 -0.044 -3.436 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.896 -0.072 -2.177 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.876 0.388 -4.635 1.00 0.00 C ATOM 0 H LEU A 68 5.578 -3.291 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 68 6.737 -1.874 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.203 -2.165 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.994 -1.420 -4.693 1.00 0.00 H new ATOM 0 HG LEU A 68 7.244 0.682 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.337 0.911 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.274 -0.337 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.689 -0.811 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.317 1.365 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.669 -0.340 -4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.239 0.449 -5.517 1.00 0.00 H new ATOM 1017 N TYR A 69 4.611 -0.563 -1.550 1.00 0.00 N ATOM 1018 CA TYR A 69 3.514 0.390 -1.428 1.00 0.00 C ATOM 1019 C TYR A 69 4.034 1.824 -1.455 1.00 0.00 C ATOM 1020 O TYR A 69 5.047 2.141 -0.832 1.00 0.00 O ATOM 1021 CB TYR A 69 2.737 0.143 -0.134 1.00 0.00 C ATOM 1022 CG TYR A 69 1.982 -1.168 -0.123 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.655 -2.378 -0.007 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.597 -1.195 -0.227 1.00 0.00 C ATOM 1025 CE1 TYR A 69 1.969 -3.578 0.003 1.00 0.00 C ATOM 1026 CE2 TYR A 69 -0.097 -2.390 -0.216 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.594 -3.578 -0.101 1.00 0.00 C ATOM 1028 OH TYR A 69 -0.092 -4.771 -0.090 1.00 0.00 O ATOM 0 H TYR A 69 4.889 -1.001 -0.672 1.00 0.00 H new ATOM 0 HA TYR A 69 2.846 0.247 -2.278 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.431 0.160 0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.032 0.960 0.019 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.732 -2.381 0.077 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.053 -0.266 -0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.507 -4.510 0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.174 -2.394 -0.297 1.00 0.00 H new ATOM 0 HH TYR A 69 0.458 -5.468 -0.504 1.00 0.00 H new ATOM 1038 N ALA A 70 3.332 2.688 -2.182 1.00 0.00 N ATOM 1039 CA ALA A 70 3.719 4.089 -2.289 1.00 0.00 C ATOM 1040 C ALA A 70 2.514 5.007 -2.118 1.00 0.00 C ATOM 1041 O ALA A 70 1.541 4.918 -2.868 1.00 0.00 O ATOM 1042 CB ALA A 70 4.397 4.348 -3.627 1.00 0.00 C ATOM 0 H ALA A 70 2.492 2.442 -2.706 1.00 0.00 H new ATOM 0 HA ALA A 70 4.425 4.307 -1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.681 5.398 -3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.288 3.725 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.708 4.106 -4.437 1.00 0.00 H new ATOM 1048 N CYS A 71 2.583 5.888 -1.125 1.00 0.00 N ATOM 1049 CA CYS A 71 1.497 6.821 -0.854 1.00 0.00 C ATOM 1050 C CYS A 71 1.827 8.211 -1.391 1.00 0.00 C ATOM 1051 O CYS A 71 2.864 8.786 -1.059 1.00 0.00 O ATOM 1052 CB CYS A 71 1.223 6.895 0.649 1.00 0.00 C ATOM 1053 SG CYS A 71 2.357 7.994 1.558 1.00 0.00 S ATOM 0 H CYS A 71 3.380 5.975 -0.495 1.00 0.00 H new ATOM 0 HA CYS A 71 0.604 6.457 -1.362 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.200 7.237 0.805 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.291 5.892 1.070 1.00 0.00 H new ATOM 1058 N VAL A 72 0.938 8.745 -2.222 1.00 0.00 N ATOM 1059 CA VAL A 72 1.134 10.068 -2.804 1.00 0.00 C ATOM 1060 C VAL A 72 0.072 11.046 -2.315 1.00 0.00 C ATOM 1061 O VAL A 72 -1.118 10.870 -2.576 1.00 0.00 O ATOM 1062 CB VAL A 72 1.098 10.015 -4.343 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.521 11.351 -4.934 1.00 0.00 C ATOM 1064 CG2 VAL A 72 1.984 8.891 -4.858 1.00 0.00 C ATOM 0 H VAL A 72 0.075 8.282 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 72 2.117 10.413 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 72 0.074 9.814 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.489 11.294 -6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.842 12.132 -4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.536 11.586 -4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.947 8.868 -5.947 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.011 9.059 -4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.630 7.939 -4.463 1.00 0.00 H new ATOM 1074 N THR A 73 0.511 12.080 -1.604 1.00 0.00 N ATOM 1075 CA THR A 73 -0.402 13.088 -1.078 1.00 0.00 C ATOM 1076 C THR A 73 -0.391 14.344 -1.941 1.00 0.00 C ATOM 1077 O THR A 73 0.668 14.899 -2.233 1.00 0.00 O ATOM 1078 CB THR A 73 -0.041 13.470 0.370 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.194 14.194 0.392 1.00 0.00 O ATOM 1080 CG2 THR A 73 0.076 12.231 1.244 1.00 0.00 C ATOM 0 H THR A 73 1.493 12.241 -1.379 1.00 0.00 H new ATOM 0 HA THR A 73 -1.400 12.650 -1.093 1.00 0.00 H new ATOM 0 HB THR A 73 -0.838 14.100 0.765 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.357 14.590 -0.489 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.332 12.526 2.262 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.875 11.698 1.249 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.855 11.579 0.849 1.00 0.00 H new ATOM 1088 N SER A 74 -1.577 14.788 -2.345 1.00 0.00 N ATOM 1089 CA SER A 74 -1.704 15.978 -3.178 1.00 0.00 C ATOM 1090 C SER A 74 -1.811 17.234 -2.319 1.00 0.00 C ATOM 1091 O SER A 74 -2.841 17.484 -1.691 1.00 0.00 O ATOM 1092 CB SER A 74 -2.929 15.862 -4.087 1.00 0.00 C ATOM 1093 OG SER A 74 -2.680 14.981 -5.169 1.00 0.00 O ATOM 0 H SER A 74 -2.463 14.342 -2.109 1.00 0.00 H new ATOM 0 HA SER A 74 -0.809 16.056 -3.795 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.781 15.503 -3.510 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.196 16.847 -4.470 1.00 0.00 H new ATOM 0 HG SER A 74 -3.479 14.923 -5.734 1.00 0.00 H new ATOM 1153 N ASP A 80 3.955 14.775 -2.404 1.00 0.00 N ATOM 1154 CA ASP A 80 5.012 13.948 -1.835 1.00 0.00 C ATOM 1155 C ASP A 80 4.795 12.477 -2.178 1.00 0.00 C ATOM 1156 O ASP A 80 3.853 12.126 -2.890 1.00 0.00 O ATOM 1157 CB ASP A 80 5.068 14.127 -0.317 1.00 0.00 C ATOM 1158 CG ASP A 80 6.468 13.950 0.236 1.00 0.00 C ATOM 1159 OD1 ASP A 80 7.390 14.637 -0.252 1.00 0.00 O ATOM 1160 OD2 ASP A 80 6.643 13.123 1.156 1.00 0.00 O ATOM 0 HA ASP A 80 5.961 14.267 -2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.701 15.120 -0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.400 13.407 0.156 1.00 0.00 H new ATOM 1165 N THR A 81 5.675 11.620 -1.669 1.00 0.00 N ATOM 1166 CA THR A 81 5.582 10.188 -1.923 1.00 0.00 C ATOM 1167 C THR A 81 6.328 9.391 -0.859 1.00 0.00 C ATOM 1168 O THR A 81 7.487 9.673 -0.556 1.00 0.00 O ATOM 1169 CB THR A 81 6.146 9.826 -3.310 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.723 10.791 -4.279 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.688 8.439 -3.735 1.00 0.00 C ATOM 0 H THR A 81 6.460 11.893 -1.078 1.00 0.00 H new ATOM 0 HA THR A 81 4.524 9.929 -1.891 1.00 0.00 H new ATOM 0 HB THR A 81 7.234 9.829 -3.247 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.813 11.088 -4.069 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.099 8.205 -4.717 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.037 7.703 -3.011 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.599 8.414 -3.782 1.00 0.00 H new ATOM 1179 N THR A 82 5.655 8.393 -0.294 1.00 0.00 N ATOM 1180 CA THR A 82 6.255 7.555 0.737 1.00 0.00 C ATOM 1181 C THR A 82 6.191 6.081 0.353 1.00 0.00 C ATOM 1182 O THR A 82 5.108 5.518 0.191 1.00 0.00 O ATOM 1183 CB THR A 82 5.557 7.750 2.096 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.091 9.099 2.217 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.504 7.431 3.242 1.00 0.00 C ATOM 0 H THR A 82 4.695 8.146 -0.533 1.00 0.00 H new ATOM 0 HA THR A 82 7.298 7.860 0.825 1.00 0.00 H new ATOM 0 HB THR A 82 4.709 7.066 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.114 9.116 2.141 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.988 7.576 4.191 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.835 6.395 3.163 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.369 8.093 3.194 1.00 0.00 H new ATOM 1193 N TYR A 83 7.357 5.461 0.210 1.00 0.00 N ATOM 1194 CA TYR A 83 7.433 4.052 -0.157 1.00 0.00 C ATOM 1195 C TYR A 83 7.430 3.165 1.085 1.00 0.00 C ATOM 1196 O TYR A 83 7.810 3.598 2.172 1.00 0.00 O ATOM 1197 CB TYR A 83 8.691 3.785 -0.984 1.00 0.00 C ATOM 1198 CG TYR A 83 8.720 4.531 -2.299 1.00 0.00 C ATOM 1199 CD1 TYR A 83 9.231 5.820 -2.379 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.238 3.944 -3.463 1.00 0.00 C ATOM 1201 CE1 TYR A 83 9.258 6.505 -3.578 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.263 4.621 -4.667 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.773 5.901 -4.720 1.00 0.00 C ATOM 1204 OH TYR A 83 8.800 6.579 -5.917 1.00 0.00 O ATOM 0 H TYR A 83 8.262 5.912 0.343 1.00 0.00 H new ATOM 0 HA TYR A 83 6.555 3.811 -0.756 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.567 4.064 -0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.766 2.716 -1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.614 6.295 -1.488 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.837 2.942 -3.426 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.657 7.508 -3.622 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.885 4.150 -5.562 1.00 0.00 H new ATOM 0 HH TYR A 83 8.423 6.013 -6.622 1.00 0.00 H new ATOM 1214 N PHE A 84 6.998 1.920 0.913 1.00 0.00 N ATOM 1215 CA PHE A 84 6.944 0.970 2.019 1.00 0.00 C ATOM 1216 C PHE A 84 7.205 -0.451 1.528 1.00 0.00 C ATOM 1217 O PHE A 84 6.365 -1.053 0.861 1.00 0.00 O ATOM 1218 CB PHE A 84 5.583 1.040 2.713 1.00 0.00 C ATOM 1219 CG PHE A 84 5.137 2.441 3.019 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.441 3.182 2.078 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.413 3.017 4.249 1.00 0.00 C ATOM 1222 CE1 PHE A 84 4.031 4.472 2.356 1.00 0.00 C ATOM 1223 CE2 PHE A 84 5.005 4.307 4.533 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.312 5.035 3.586 1.00 0.00 C ATOM 0 H PHE A 84 6.680 1.545 0.019 1.00 0.00 H new ATOM 0 HA PHE A 84 7.722 1.237 2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.837 0.560 2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.628 0.471 3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.216 2.746 1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.953 2.452 4.994 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.491 5.040 1.612 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.228 4.745 5.495 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.990 6.042 3.806 1.00 0.00 H new ATOM 1234 N SER A 85 8.378 -0.980 1.864 1.00 0.00 N ATOM 1235 CA SER A 85 8.752 -2.329 1.454 1.00 0.00 C ATOM 1236 C SER A 85 8.104 -3.372 2.360 1.00 0.00 C ATOM 1237 O SER A 85 8.499 -3.540 3.514 1.00 0.00 O ATOM 1238 CB SER A 85 10.274 -2.488 1.481 1.00 0.00 C ATOM 1239 OG SER A 85 10.642 -3.854 1.573 1.00 0.00 O ATOM 0 H SER A 85 9.084 -0.496 2.418 1.00 0.00 H new ATOM 0 HA SER A 85 8.395 -2.486 0.436 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.705 -2.052 0.580 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.685 -1.939 2.328 1.00 0.00 H new ATOM 0 HG SER A 85 11.619 -3.929 1.587 1.00 0.00 H new ATOM 1245 N VAL A 86 7.106 -4.070 1.828 1.00 0.00 N ATOM 1246 CA VAL A 86 6.402 -5.097 2.586 1.00 0.00 C ATOM 1247 C VAL A 86 6.826 -6.493 2.144 1.00 0.00 C ATOM 1248 O VAL A 86 7.118 -6.722 0.971 1.00 0.00 O ATOM 1249 CB VAL A 86 4.876 -4.963 2.431 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.162 -6.064 3.200 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.412 -3.590 2.896 1.00 0.00 C ATOM 0 H VAL A 86 6.767 -3.943 0.875 1.00 0.00 H new ATOM 0 HA VAL A 86 6.667 -4.954 3.634 1.00 0.00 H new ATOM 0 HB VAL A 86 4.625 -5.069 1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.085 -5.953 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.472 -7.036 2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.417 -5.994 4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.331 -3.513 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.675 -3.453 3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.898 -2.820 2.297 1.00 0.00 H new ATOM 1261 N ASN A 87 6.856 -7.425 3.092 1.00 0.00 N ATOM 1262 CA ASN A 87 7.244 -8.800 2.800 1.00 0.00 C ATOM 1263 C ASN A 87 6.475 -9.780 3.680 1.00 0.00 C ATOM 1264 O ASN A 87 6.753 -9.912 4.872 1.00 0.00 O ATOM 1265 CB ASN A 87 8.749 -8.982 3.009 1.00 0.00 C ATOM 1266 CG ASN A 87 9.339 -10.024 2.078 1.00 0.00 C ATOM 1267 OD1 ASN A 87 9.678 -9.728 0.932 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.466 -11.251 2.569 1.00 0.00 N ATOM 0 H ASN A 87 6.616 -7.253 4.068 1.00 0.00 H new ATOM 0 HA ASN A 87 7.001 -9.007 1.758 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.253 -8.029 2.850 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.937 -9.273 4.042 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.858 -11.994 1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.172 -11.451 3.525 1.00 0.00 H new ATOM 1275 N VAL A 88 5.506 -10.467 3.083 1.00 0.00 N ATOM 1276 CA VAL A 88 4.696 -11.438 3.812 1.00 0.00 C ATOM 1277 C VAL A 88 5.181 -12.860 3.555 1.00 0.00 C ATOM 1278 O VAL A 88 5.205 -13.323 2.415 1.00 0.00 O ATOM 1279 CB VAL A 88 3.210 -11.335 3.421 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.375 -12.313 4.233 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.708 -9.911 3.605 1.00 0.00 C ATOM 0 H VAL A 88 5.262 -10.370 2.097 1.00 0.00 H new ATOM 0 HA VAL A 88 4.802 -11.207 4.872 1.00 0.00 H new ATOM 0 HB VAL A 88 3.110 -11.597 2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.328 -12.226 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.720 -13.330 4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.478 -12.086 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.656 -9.857 3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.820 -9.618 4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.287 -9.237 2.974 1.00 0.00 H new ATOM 1291 N SER A 89 5.566 -13.550 4.624 1.00 0.00 N ATOM 1292 CA SER A 89 6.054 -14.920 4.515 1.00 0.00 C ATOM 1293 C SER A 89 6.066 -15.603 5.879 1.00 0.00 C ATOM 1294 O SER A 89 6.329 -14.968 6.901 1.00 0.00 O ATOM 1295 CB SER A 89 7.460 -14.936 3.911 1.00 0.00 C ATOM 1296 OG SER A 89 7.763 -16.206 3.360 1.00 0.00 O ATOM 0 H SER A 89 5.549 -13.183 5.575 1.00 0.00 H new ATOM 0 HA SER A 89 5.378 -15.469 3.860 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.535 -14.173 3.137 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.192 -14.685 4.679 1.00 0.00 H new ATOM 0 HG SER A 89 8.666 -16.190 2.979 1.00 0.00 H new ATOM 1302 N ASP A 90 5.779 -16.900 5.887 1.00 0.00 N ATOM 1303 CA ASP A 90 5.757 -17.671 7.124 1.00 0.00 C ATOM 1304 C ASP A 90 7.128 -17.664 7.793 1.00 0.00 C ATOM 1305 O ASP A 90 7.255 -17.985 8.974 1.00 0.00 O ATOM 1306 CB ASP A 90 5.318 -19.109 6.846 1.00 0.00 C ATOM 1307 CG ASP A 90 5.846 -20.085 7.879 1.00 0.00 C ATOM 1308 OD1 ASP A 90 5.216 -20.217 8.948 1.00 0.00 O ATOM 1309 OD2 ASP A 90 6.892 -20.717 7.617 1.00 0.00 O ATOM 0 H ASP A 90 5.558 -17.440 5.050 1.00 0.00 H new ATOM 0 HA ASP A 90 5.040 -17.206 7.801 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.229 -19.157 6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.666 -19.407 5.857 1.00 0.00 H new