USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=16 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= -0.264 X(o=-0.41,f=0) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.141 X(o=-0.41,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -3.9 X(o=-3.9,f=-4.1!) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.974 F(o=-2.5!,f=-0.97) 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= -0.288 K(o=-0.29,f=-0.89) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 52 THR OG1 : rot -4:sc= 0.194 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0235 USER MOD Single : A 66 SER OG : rot 140:sc= 0.548 USER MOD Single : A 69 TYR OH : rot -36:sc= 1.82 USER MOD Single : A 73 THR OG1 : rot 17:sc= 0.0189! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0959 USER MOD Single : A 82 THR OG1 : rot 102:sc= 0.612 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 12.358 4.404 2.422 1.00 0.00 N ATOM 98 CA VAL A 10 11.605 3.187 2.144 1.00 0.00 C ATOM 99 C VAL A 10 11.397 2.368 3.412 1.00 0.00 C ATOM 100 O VAL A 10 12.240 1.550 3.780 1.00 0.00 O ATOM 101 CB VAL A 10 12.317 2.315 1.093 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.500 1.067 0.793 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.573 3.112 -0.177 1.00 0.00 C ATOM 0 HA VAL A 10 10.636 3.496 1.752 1.00 0.00 H new ATOM 0 HB VAL A 10 13.279 2.002 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.018 0.463 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.373 0.487 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.522 1.356 0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.077 2.480 -0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.624 3.457 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.202 3.972 0.054 1.00 0.00 H new ATOM 113 N GLU A 11 10.267 2.592 4.077 1.00 0.00 N ATOM 114 CA GLU A 11 9.949 1.874 5.305 1.00 0.00 C ATOM 115 C GLU A 11 9.848 0.373 5.047 1.00 0.00 C ATOM 116 O GLU A 11 8.948 -0.088 4.346 1.00 0.00 O ATOM 117 CB GLU A 11 8.636 2.390 5.898 1.00 0.00 C ATOM 118 CG GLU A 11 8.563 2.271 7.411 1.00 0.00 C ATOM 119 CD GLU A 11 7.487 3.153 8.014 1.00 0.00 C ATOM 120 OE1 GLU A 11 7.405 4.337 7.626 1.00 0.00 O ATOM 121 OE2 GLU A 11 6.729 2.660 8.875 1.00 0.00 O ATOM 0 H GLU A 11 9.558 3.265 3.786 1.00 0.00 H new ATOM 0 HA GLU A 11 10.755 2.049 6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.507 3.435 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.806 1.837 5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.370 1.233 7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.529 2.538 7.840 1.00 0.00 H new ATOM 128 N SER A 12 10.780 -0.383 5.619 1.00 0.00 N ATOM 129 CA SER A 12 10.800 -1.831 5.449 1.00 0.00 C ATOM 130 C SER A 12 9.846 -2.507 6.429 1.00 0.00 C ATOM 131 O SER A 12 9.642 -2.027 7.545 1.00 0.00 O ATOM 132 CB SER A 12 12.218 -2.370 5.646 1.00 0.00 C ATOM 133 OG SER A 12 12.196 -3.724 6.064 1.00 0.00 O ATOM 0 H SER A 12 11.531 -0.017 6.204 1.00 0.00 H new ATOM 0 HA SER A 12 10.471 -2.057 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.776 -2.283 4.714 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.740 -1.766 6.388 1.00 0.00 H new ATOM 0 HG SER A 12 13.114 -4.045 6.181 1.00 0.00 H new ATOM 139 N PHE A 13 9.264 -3.624 6.005 1.00 0.00 N ATOM 140 CA PHE A 13 8.331 -4.366 6.844 1.00 0.00 C ATOM 141 C PHE A 13 8.486 -5.869 6.632 1.00 0.00 C ATOM 142 O PHE A 13 9.038 -6.312 5.623 1.00 0.00 O ATOM 143 CB PHE A 13 6.892 -3.943 6.541 1.00 0.00 C ATOM 144 CG PHE A 13 6.490 -2.661 7.212 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.760 -1.438 6.618 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.843 -2.678 8.436 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.392 -0.257 7.234 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.472 -1.500 9.057 1.00 0.00 C ATOM 149 CZ PHE A 13 5.746 -0.288 8.454 1.00 0.00 C ATOM 0 H PHE A 13 9.422 -4.035 5.085 1.00 0.00 H new ATOM 0 HA PHE A 13 8.558 -4.138 7.885 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.774 -3.832 5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.215 -4.737 6.856 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.264 -1.408 5.663 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.626 -3.623 8.911 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.609 0.690 6.762 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.969 -1.527 10.012 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.455 0.634 8.936 1.00 0.00 H new ATOM 159 N LEU A 14 7.997 -6.649 7.589 1.00 0.00 N ATOM 160 CA LEU A 14 8.081 -8.103 7.509 1.00 0.00 C ATOM 161 C LEU A 14 6.917 -8.758 8.247 1.00 0.00 C ATOM 162 O LEU A 14 6.701 -8.507 9.432 1.00 0.00 O ATOM 163 CB LEU A 14 9.408 -8.590 8.093 1.00 0.00 C ATOM 164 CG LEU A 14 9.784 -10.040 7.788 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.640 -10.976 8.147 1.00 0.00 C ATOM 166 CD2 LEU A 14 10.163 -10.196 6.322 1.00 0.00 C ATOM 0 H LEU A 14 7.538 -6.299 8.430 1.00 0.00 H new ATOM 0 HA LEU A 14 8.027 -8.388 6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.204 -7.944 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.373 -8.465 9.175 1.00 0.00 H new ATOM 0 HG LEU A 14 10.648 -10.306 8.397 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.927 -12.003 7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.416 -10.886 9.210 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.757 -10.711 7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.428 -11.235 6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.318 -9.911 5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.015 -9.555 6.096 1.00 0.00 H new ATOM 178 N VAL A 15 6.172 -9.599 7.537 1.00 0.00 N ATOM 179 CA VAL A 15 5.032 -10.293 8.125 1.00 0.00 C ATOM 180 C VAL A 15 4.885 -11.696 7.549 1.00 0.00 C ATOM 181 O VAL A 15 5.722 -12.148 6.766 1.00 0.00 O ATOM 182 CB VAL A 15 3.722 -9.516 7.895 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.779 -8.159 8.580 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.451 -9.360 6.406 1.00 0.00 C ATOM 0 H VAL A 15 6.337 -9.816 6.554 1.00 0.00 H new ATOM 0 HA VAL A 15 5.222 -10.362 9.196 1.00 0.00 H new ATOM 0 HB VAL A 15 2.901 -10.083 8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.845 -7.624 8.407 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.924 -8.298 9.651 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.609 -7.581 8.174 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.522 -8.809 6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.273 -8.815 5.942 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.364 -10.345 5.947 1.00 0.00 H new ATOM 194 N HIS A 16 3.816 -12.382 7.940 1.00 0.00 N ATOM 195 CA HIS A 16 3.558 -13.736 7.460 1.00 0.00 C ATOM 196 C HIS A 16 2.117 -13.877 6.980 1.00 0.00 C ATOM 197 O HIS A 16 1.277 -13.003 7.196 1.00 0.00 O ATOM 198 CB HIS A 16 3.842 -14.753 8.565 1.00 0.00 C ATOM 199 CG HIS A 16 2.613 -15.436 9.081 1.00 0.00 C ATOM 200 ND1 HIS A 16 2.414 -16.797 8.992 1.00 0.00 N ATOM 201 CD2 HIS A 16 1.516 -14.937 9.697 1.00 0.00 C ATOM 202 CE1 HIS A 16 1.247 -17.106 9.529 1.00 0.00 C ATOM 203 NE2 HIS A 16 0.682 -15.995 9.964 1.00 0.00 N ATOM 0 H HIS A 16 3.114 -12.023 8.588 1.00 0.00 H new ATOM 0 HA HIS A 16 4.223 -13.930 6.618 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.534 -15.505 8.186 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.342 -14.249 9.392 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.331 -13.900 9.934 1.00 0.00 H new ATOM 0 HE1 HIS A 16 0.827 -18.098 9.600 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.226 -15.933 10.424 1.00 0.00 H new ATOM 212 N PRO A 17 1.822 -15.003 6.313 1.00 0.00 N ATOM 213 CA PRO A 17 0.483 -15.284 5.789 1.00 0.00 C ATOM 214 C PRO A 17 -0.527 -15.560 6.897 1.00 0.00 C ATOM 215 O PRO A 17 -0.701 -16.702 7.322 1.00 0.00 O ATOM 216 CB PRO A 17 0.693 -16.536 4.933 1.00 0.00 C ATOM 217 CG PRO A 17 1.893 -17.197 5.518 1.00 0.00 C ATOM 218 CD PRO A 17 2.774 -16.087 6.020 1.00 0.00 C ATOM 0 HA PRO A 17 0.075 -14.437 5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.177 -17.191 4.970 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.854 -16.278 3.886 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.612 -17.869 6.329 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.411 -17.798 4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.329 -16.385 6.909 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.508 -15.786 5.272 1.00 0.00 H new ATOM 226 N GLY A 18 -1.193 -14.507 7.361 1.00 0.00 N ATOM 227 CA GLY A 18 -2.178 -14.657 8.416 1.00 0.00 C ATOM 228 C GLY A 18 -2.129 -13.524 9.421 1.00 0.00 C ATOM 229 O GLY A 18 -3.004 -13.408 10.280 1.00 0.00 O ATOM 0 H GLY A 18 -1.068 -13.552 7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.174 -14.704 7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.012 -15.603 8.931 1.00 0.00 H new ATOM 233 N ASP A 19 -1.104 -12.685 9.316 1.00 0.00 N ATOM 234 CA ASP A 19 -0.944 -11.555 10.223 1.00 0.00 C ATOM 235 C ASP A 19 -1.702 -10.335 9.710 1.00 0.00 C ATOM 236 O ASP A 19 -2.418 -10.410 8.710 1.00 0.00 O ATOM 237 CB ASP A 19 0.537 -11.216 10.393 1.00 0.00 C ATOM 238 CG ASP A 19 1.185 -11.998 11.519 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.607 -13.024 11.937 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.269 -11.586 11.980 1.00 0.00 O ATOM 0 H ASP A 19 -0.371 -12.767 8.611 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.358 -11.837 11.191 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.063 -11.423 9.461 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.642 -10.149 10.588 1.00 0.00 H new ATOM 245 N LEU A 20 -1.542 -9.211 10.400 1.00 0.00 N ATOM 246 CA LEU A 20 -2.212 -7.974 10.015 1.00 0.00 C ATOM 247 C LEU A 20 -1.211 -6.959 9.472 1.00 0.00 C ATOM 248 O LEU A 20 -0.427 -6.380 10.225 1.00 0.00 O ATOM 249 CB LEU A 20 -2.958 -7.381 11.211 1.00 0.00 C ATOM 250 CG LEU A 20 -3.845 -6.171 10.917 1.00 0.00 C ATOM 251 CD1 LEU A 20 -5.054 -6.584 10.091 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.285 -5.504 12.212 1.00 0.00 C ATOM 0 H LEU A 20 -0.954 -9.131 11.229 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.928 -8.208 9.227 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.578 -8.162 11.650 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.225 -7.094 11.965 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.264 -5.451 10.340 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.674 -5.710 9.891 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.720 -7.015 9.147 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.636 -7.323 10.642 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.915 -4.645 11.983 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.848 -6.216 12.815 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.407 -5.172 12.767 1.00 0.00 H new ATOM 264 N LEU A 21 -1.244 -6.746 8.161 1.00 0.00 N ATOM 265 CA LEU A 21 -0.342 -5.798 7.517 1.00 0.00 C ATOM 266 C LEU A 21 -0.824 -4.365 7.716 1.00 0.00 C ATOM 267 O LEU A 21 -1.751 -3.914 7.043 1.00 0.00 O ATOM 268 CB LEU A 21 -0.228 -6.107 6.023 1.00 0.00 C ATOM 269 CG LEU A 21 0.693 -5.191 5.216 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.117 -5.265 5.744 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.650 -5.557 3.740 1.00 0.00 C ATOM 0 H LEU A 21 -1.886 -7.217 7.523 1.00 0.00 H new ATOM 0 HA LEU A 21 0.640 -5.898 7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.123 -7.133 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.226 -6.062 5.586 1.00 0.00 H new ATOM 0 HG LEU A 21 0.340 -4.166 5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.757 -4.607 5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.135 -4.952 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.481 -6.289 5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.311 -4.895 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.977 -6.589 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.369 -5.450 3.368 1.00 0.00 H new ATOM 283 N GLN A 22 -0.188 -3.655 8.641 1.00 0.00 N ATOM 284 CA GLN A 22 -0.552 -2.272 8.927 1.00 0.00 C ATOM 285 C GLN A 22 0.507 -1.310 8.397 1.00 0.00 C ATOM 286 O GLN A 22 1.704 -1.513 8.602 1.00 0.00 O ATOM 287 CB GLN A 22 -0.733 -2.071 10.432 1.00 0.00 C ATOM 288 CG GLN A 22 -2.141 -2.368 10.921 1.00 0.00 C ATOM 289 CD GLN A 22 -2.290 -2.186 12.419 1.00 0.00 C ATOM 290 OE1 GLN A 22 -3.385 -2.695 12.971 1.00 0.00 O flip ATOM 291 NE2 GLN A 22 -1.430 -1.595 13.072 1.00 0.00 N flip ATOM 0 H GLN A 22 0.582 -4.014 9.206 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.495 -2.059 8.423 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.030 -2.713 10.963 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.479 -1.042 10.686 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.845 -1.713 10.408 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.405 -3.392 10.655 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.604 -1.220 12.606 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.543 -1.481 14.079 1.00 0.00 H new ATOM 300 N LEU A 23 0.058 -0.262 7.715 1.00 0.00 N ATOM 301 CA LEU A 23 0.966 0.732 7.154 1.00 0.00 C ATOM 302 C LEU A 23 0.542 2.142 7.551 1.00 0.00 C ATOM 303 O LEU A 23 -0.567 2.352 8.043 1.00 0.00 O ATOM 304 CB LEU A 23 1.010 0.610 5.630 1.00 0.00 C ATOM 305 CG LEU A 23 1.553 -0.708 5.077 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.458 -0.730 3.560 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.992 -0.922 5.526 1.00 0.00 C ATOM 0 H LEU A 23 -0.930 -0.079 7.537 1.00 0.00 H new ATOM 0 HA LEU A 23 1.962 0.545 7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.001 0.754 5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.620 1.424 5.238 1.00 0.00 H new ATOM 0 HG LEU A 23 0.945 -1.523 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.849 -1.676 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.416 -0.623 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.041 0.093 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.362 -1.865 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.612 -0.103 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.033 -0.952 6.615 1.00 0.00 H new ATOM 319 N ARG A 24 1.430 3.106 7.332 1.00 0.00 N ATOM 320 CA ARG A 24 1.148 4.497 7.666 1.00 0.00 C ATOM 321 C ARG A 24 1.746 5.438 6.625 1.00 0.00 C ATOM 322 O ARG A 24 2.835 5.194 6.104 1.00 0.00 O ATOM 323 CB ARG A 24 1.701 4.833 9.052 1.00 0.00 C ATOM 324 CG ARG A 24 0.954 5.958 9.749 1.00 0.00 C ATOM 325 CD ARG A 24 1.401 6.113 11.194 1.00 0.00 C ATOM 326 NE ARG A 24 2.662 6.842 11.302 1.00 0.00 N ATOM 327 CZ ARG A 24 3.356 6.947 12.429 1.00 0.00 C ATOM 328 NH1 ARG A 24 2.915 6.372 13.539 1.00 0.00 N ATOM 329 NH2 ARG A 24 4.495 7.628 12.448 1.00 0.00 N ATOM 0 H ARG A 24 2.352 2.949 6.924 1.00 0.00 H new ATOM 0 HA ARG A 24 0.066 4.631 7.672 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.661 3.940 9.676 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.751 5.109 8.958 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.120 6.893 9.214 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.117 5.759 9.718 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.630 6.638 11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.512 5.128 11.647 1.00 0.00 H new ATOM 0 HE ARG A 24 3.030 7.295 10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.040 5.847 13.529 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.450 6.454 14.403 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.838 8.072 11.596 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.027 7.708 13.315 1.00 0.00 H new ATOM 343 N CYS A 25 1.026 6.515 6.325 1.00 0.00 N ATOM 344 CA CYS A 25 1.484 7.493 5.346 1.00 0.00 C ATOM 345 C CYS A 25 1.739 8.845 6.006 1.00 0.00 C ATOM 346 O CYS A 25 0.857 9.407 6.654 1.00 0.00 O ATOM 347 CB CYS A 25 0.453 7.646 4.227 1.00 0.00 C ATOM 348 SG CYS A 25 0.929 8.839 2.935 1.00 0.00 S ATOM 0 H CYS A 25 0.123 6.732 6.746 1.00 0.00 H new ATOM 0 HA CYS A 25 2.421 7.133 4.921 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.287 6.673 3.765 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.496 7.958 4.662 1.00 0.00 H new ATOM 353 N ARG A 26 2.953 9.360 5.837 1.00 0.00 N ATOM 354 CA ARG A 26 3.325 10.645 6.416 1.00 0.00 C ATOM 355 C ARG A 26 2.605 11.790 5.709 1.00 0.00 C ATOM 356 O ARG A 26 2.864 12.071 4.538 1.00 0.00 O ATOM 357 CB ARG A 26 4.838 10.849 6.329 1.00 0.00 C ATOM 358 CG ARG A 26 5.608 10.188 7.461 1.00 0.00 C ATOM 359 CD ARG A 26 7.089 10.074 7.135 1.00 0.00 C ATOM 360 NE ARG A 26 7.861 9.567 8.267 1.00 0.00 N ATOM 361 CZ ARG A 26 7.970 8.276 8.562 1.00 0.00 C ATOM 362 NH1 ARG A 26 7.361 7.367 7.813 1.00 0.00 N ATOM 363 NH2 ARG A 26 8.691 7.892 9.608 1.00 0.00 N ATOM 0 H ARG A 26 3.695 8.907 5.304 1.00 0.00 H new ATOM 0 HA ARG A 26 3.025 10.643 7.464 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.195 10.453 5.378 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.053 11.918 6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.479 10.766 8.376 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.199 9.196 7.650 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.222 9.412 6.280 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.472 11.052 6.844 1.00 0.00 H new ATOM 0 HE ARG A 26 8.342 10.240 8.863 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.807 7.658 7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.447 6.377 8.042 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.162 8.588 10.186 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.774 6.901 9.834 1.00 0.00 H new ATOM 477 N SER A 33 -5.287 15.385 -0.114 1.00 0.00 N ATOM 478 CA SER A 33 -5.738 14.027 -0.393 1.00 0.00 C ATOM 479 C SER A 33 -4.570 13.046 -0.348 1.00 0.00 C ATOM 480 O SER A 33 -3.425 13.438 -0.121 1.00 0.00 O ATOM 481 CB SER A 33 -6.419 13.964 -1.762 1.00 0.00 C ATOM 482 OG SER A 33 -7.809 14.216 -1.652 1.00 0.00 O ATOM 0 HA SER A 33 -6.457 13.745 0.376 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.966 14.695 -2.431 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.258 12.982 -2.207 1.00 0.00 H new ATOM 0 HG SER A 33 -8.221 14.172 -2.540 1.00 0.00 H new ATOM 488 N ILE A 34 -4.868 11.770 -0.566 1.00 0.00 N ATOM 489 CA ILE A 34 -3.844 10.733 -0.552 1.00 0.00 C ATOM 490 C ILE A 34 -4.060 9.731 -1.681 1.00 0.00 C ATOM 491 O ILE A 34 -5.191 9.475 -2.090 1.00 0.00 O ATOM 492 CB ILE A 34 -3.824 9.979 0.791 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.924 10.966 1.956 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.561 9.139 0.908 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.244 10.308 3.280 1.00 0.00 C ATOM 0 H ILE A 34 -5.811 11.429 -0.755 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.886 11.234 -0.692 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.685 9.312 0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.981 11.506 2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.694 11.704 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.561 8.612 1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.529 8.415 0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.686 9.787 0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.299 11.068 4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.201 9.792 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.462 9.590 3.528 1.00 0.00 H new ATOM 507 N ASN A 35 -2.965 9.166 -2.181 1.00 0.00 N ATOM 508 CA ASN A 35 -3.035 8.190 -3.263 1.00 0.00 C ATOM 509 C ASN A 35 -2.186 6.964 -2.944 1.00 0.00 C ATOM 510 O ASN A 35 -0.962 6.991 -3.079 1.00 0.00 O ATOM 511 CB ASN A 35 -2.568 8.821 -4.577 1.00 0.00 C ATOM 512 CG ASN A 35 -3.243 8.203 -5.786 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.380 8.539 -6.116 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.542 7.293 -6.454 1.00 0.00 N ATOM 0 H ASN A 35 -2.020 9.367 -1.855 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.073 7.874 -3.368 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.774 9.891 -4.557 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.488 8.706 -4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.944 6.843 -7.276 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.602 7.045 -6.144 1.00 0.00 H new ATOM 521 N TRP A 36 -2.843 5.890 -2.522 1.00 0.00 N ATOM 522 CA TRP A 36 -2.148 4.652 -2.185 1.00 0.00 C ATOM 523 C TRP A 36 -1.779 3.875 -3.444 1.00 0.00 C ATOM 524 O TRP A 36 -2.603 3.701 -4.343 1.00 0.00 O ATOM 525 CB TRP A 36 -3.019 3.786 -1.274 1.00 0.00 C ATOM 526 CG TRP A 36 -2.933 4.172 0.172 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.862 4.867 0.892 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.856 3.887 1.072 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.429 5.031 2.186 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.201 4.438 2.322 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.636 3.219 0.945 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.369 4.340 3.433 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.190 3.123 2.049 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.180 3.680 3.280 1.00 0.00 C ATOM 0 H TRP A 36 -3.855 5.851 -2.405 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.230 4.912 -1.658 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.057 3.857 -1.601 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.721 2.743 -1.383 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.800 5.234 0.502 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.939 5.515 2.925 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.343 2.785 0.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.652 4.770 4.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.136 2.610 1.961 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.486 3.587 4.125 1.00 0.00 H new ATOM 545 N LEU A 37 -0.537 3.409 -3.503 1.00 0.00 N ATOM 546 CA LEU A 37 -0.058 2.649 -4.653 1.00 0.00 C ATOM 547 C LEU A 37 0.696 1.401 -4.205 1.00 0.00 C ATOM 548 O LEU A 37 1.135 1.306 -3.059 1.00 0.00 O ATOM 549 CB LEU A 37 0.848 3.521 -5.524 1.00 0.00 C ATOM 550 CG LEU A 37 0.189 4.743 -6.164 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.200 5.866 -6.337 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.434 4.374 -7.502 1.00 0.00 C ATOM 0 H LEU A 37 0.157 3.544 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.924 2.338 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.685 3.862 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.263 2.900 -6.317 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.602 5.093 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.713 6.727 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.599 6.149 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.014 5.527 -6.978 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.898 5.256 -7.943 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.339 3.998 -8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.190 3.603 -7.351 1.00 0.00 H new ATOM 564 N ARG A 38 0.844 0.446 -5.118 1.00 0.00 N ATOM 565 CA ARG A 38 1.546 -0.796 -4.817 1.00 0.00 C ATOM 566 C ARG A 38 2.176 -1.383 -6.077 1.00 0.00 C ATOM 567 O ARG A 38 1.474 -1.754 -7.018 1.00 0.00 O ATOM 568 CB ARG A 38 0.587 -1.810 -4.193 1.00 0.00 C ATOM 569 CG ARG A 38 1.262 -3.103 -3.765 1.00 0.00 C ATOM 570 CD ARG A 38 0.352 -3.941 -2.880 1.00 0.00 C ATOM 571 NE ARG A 38 -0.535 -4.797 -3.662 1.00 0.00 N ATOM 572 CZ ARG A 38 -1.494 -5.545 -3.128 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.689 -5.541 -1.816 1.00 0.00 N ATOM 574 NH2 ARG A 38 -2.261 -6.298 -3.905 1.00 0.00 N ATOM 0 H ARG A 38 0.487 0.509 -6.072 1.00 0.00 H new ATOM 0 HA ARG A 38 2.340 -0.572 -4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.106 -1.357 -3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.201 -2.041 -4.910 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.542 -3.678 -4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.183 -2.874 -3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.959 -4.558 -2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.244 -3.283 -2.247 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.412 -4.822 -4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.102 -4.963 -1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.426 -6.116 -1.408 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.115 -6.303 -4.914 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.997 -6.872 -3.493 1.00 0.00 H new ATOM 588 N ASP A 39 3.502 -1.463 -6.088 1.00 0.00 N ATOM 589 CA ASP A 39 4.226 -2.006 -7.231 1.00 0.00 C ATOM 590 C ASP A 39 4.033 -1.128 -8.463 1.00 0.00 C ATOM 591 O ASP A 39 4.138 -1.597 -9.596 1.00 0.00 O ATOM 592 CB ASP A 39 3.759 -3.432 -7.528 1.00 0.00 C ATOM 593 CG ASP A 39 4.851 -4.283 -8.145 1.00 0.00 C ATOM 594 OD1 ASP A 39 5.212 -4.028 -9.313 1.00 0.00 O ATOM 595 OD2 ASP A 39 5.345 -5.203 -7.460 1.00 0.00 O ATOM 0 H ASP A 39 4.097 -1.159 -5.318 1.00 0.00 H new ATOM 0 HA ASP A 39 5.287 -2.024 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.417 -3.899 -6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.904 -3.398 -8.203 1.00 0.00 H new ATOM 600 N GLY A 40 3.747 0.151 -8.234 1.00 0.00 N ATOM 601 CA GLY A 40 3.542 1.074 -9.334 1.00 0.00 C ATOM 602 C GLY A 40 2.135 1.007 -9.893 1.00 0.00 C ATOM 603 O GLY A 40 1.942 0.989 -11.109 1.00 0.00 O ATOM 0 H GLY A 40 3.654 0.563 -7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.747 2.089 -8.995 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.256 0.853 -10.128 1.00 0.00 H new ATOM 607 N VAL A 41 1.148 0.968 -9.004 1.00 0.00 N ATOM 608 CA VAL A 41 -0.250 0.901 -9.415 1.00 0.00 C ATOM 609 C VAL A 41 -1.179 1.279 -8.267 1.00 0.00 C ATOM 610 O VAL A 41 -0.838 1.104 -7.097 1.00 0.00 O ATOM 611 CB VAL A 41 -0.620 -0.506 -9.919 1.00 0.00 C ATOM 612 CG1 VAL A 41 -0.694 -1.487 -8.759 1.00 0.00 C ATOM 613 CG2 VAL A 41 -1.936 -0.469 -10.682 1.00 0.00 C ATOM 0 H VAL A 41 1.290 0.982 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.375 1.615 -10.229 1.00 0.00 H new ATOM 0 HB VAL A 41 0.160 -0.846 -10.601 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.957 -2.476 -9.135 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.274 -1.534 -8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.452 -1.155 -8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.182 -1.472 -11.031 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.728 -0.109 -10.025 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.842 0.200 -11.537 1.00 0.00 H new ATOM 623 N GLN A 42 -2.354 1.796 -8.609 1.00 0.00 N ATOM 624 CA GLN A 42 -3.333 2.198 -7.606 1.00 0.00 C ATOM 625 C GLN A 42 -3.684 1.030 -6.690 1.00 0.00 C ATOM 626 O GLN A 42 -3.893 -0.093 -7.150 1.00 0.00 O ATOM 627 CB GLN A 42 -4.598 2.730 -8.282 1.00 0.00 C ATOM 628 CG GLN A 42 -5.672 3.170 -7.300 1.00 0.00 C ATOM 629 CD GLN A 42 -5.513 4.614 -6.868 1.00 0.00 C ATOM 630 OE1 GLN A 42 -6.308 5.477 -7.241 1.00 0.00 O ATOM 631 NE2 GLN A 42 -4.481 4.885 -6.078 1.00 0.00 N ATOM 0 H GLN A 42 -2.652 1.947 -9.573 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.892 2.991 -7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.332 3.573 -8.919 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.006 1.956 -8.932 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.653 3.038 -7.757 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.640 2.526 -6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.847 4.139 -5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.322 5.840 -5.756 1.00 0.00 H new ATOM 640 N LEU A 43 -3.748 1.302 -5.391 1.00 0.00 N ATOM 641 CA LEU A 43 -4.074 0.274 -4.409 1.00 0.00 C ATOM 642 C LEU A 43 -5.584 0.157 -4.224 1.00 0.00 C ATOM 643 O LEU A 43 -6.320 1.124 -4.417 1.00 0.00 O ATOM 644 CB LEU A 43 -3.408 0.591 -3.069 1.00 0.00 C ATOM 645 CG LEU A 43 -3.578 -0.458 -1.970 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.966 -1.783 -2.397 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.953 0.026 -0.670 1.00 0.00 C ATOM 0 H LEU A 43 -3.578 2.226 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.697 -0.679 -4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.342 0.738 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.805 1.538 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.644 -0.611 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.097 -2.517 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.459 -2.137 -3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.903 -1.646 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.083 -0.733 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.889 0.208 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.438 0.950 -0.355 1.00 0.00 H new ATOM 659 N ALA A 44 -6.038 -1.034 -3.848 1.00 0.00 N ATOM 660 CA ALA A 44 -7.459 -1.277 -3.633 1.00 0.00 C ATOM 661 C ALA A 44 -7.701 -1.971 -2.297 1.00 0.00 C ATOM 662 O ALA A 44 -6.866 -2.744 -1.829 1.00 0.00 O ATOM 663 CB ALA A 44 -8.031 -2.107 -4.773 1.00 0.00 C ATOM 0 H ALA A 44 -5.442 -1.846 -3.686 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.968 -0.313 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.093 -2.281 -4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.900 -1.572 -5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.510 -3.063 -4.824 1.00 0.00 H new ATOM 669 N GLU A 45 -8.849 -1.689 -1.688 1.00 0.00 N ATOM 670 CA GLU A 45 -9.199 -2.286 -0.405 1.00 0.00 C ATOM 671 C GLU A 45 -10.153 -3.462 -0.594 1.00 0.00 C ATOM 672 O GLU A 45 -10.832 -3.566 -1.616 1.00 0.00 O ATOM 673 CB GLU A 45 -9.837 -1.241 0.512 1.00 0.00 C ATOM 674 CG GLU A 45 -9.316 0.168 0.284 1.00 0.00 C ATOM 675 CD GLU A 45 -10.254 1.231 0.822 1.00 0.00 C ATOM 676 OE1 GLU A 45 -10.959 0.954 1.814 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.281 2.341 0.250 1.00 0.00 O ATOM 0 H GLU A 45 -9.552 -1.051 -2.063 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.283 -2.654 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.917 -1.249 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.657 -1.522 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.342 0.273 0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.166 0.328 -0.784 1.00 0.00 H new ATOM 684 N SER A 46 -10.198 -4.346 0.397 1.00 0.00 N ATOM 685 CA SER A 46 -11.064 -5.518 0.339 1.00 0.00 C ATOM 686 C SER A 46 -11.332 -6.065 1.738 1.00 0.00 C ATOM 687 O SER A 46 -10.871 -5.508 2.733 1.00 0.00 O ATOM 688 CB SER A 46 -10.432 -6.603 -0.534 1.00 0.00 C ATOM 689 OG SER A 46 -9.229 -7.083 0.041 1.00 0.00 O ATOM 0 H SER A 46 -9.644 -4.273 1.251 1.00 0.00 H new ATOM 0 HA SER A 46 -12.014 -5.216 -0.102 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.133 -7.428 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.230 -6.203 -1.528 1.00 0.00 H new ATOM 0 HG SER A 46 -8.845 -7.777 -0.535 1.00 0.00 H new ATOM 695 N ASN A 47 -12.081 -7.162 1.804 1.00 0.00 N ATOM 696 CA ASN A 47 -12.411 -7.786 3.080 1.00 0.00 C ATOM 697 C ASN A 47 -11.213 -7.763 4.023 1.00 0.00 C ATOM 698 O ASN A 47 -11.367 -7.614 5.235 1.00 0.00 O ATOM 699 CB ASN A 47 -12.875 -9.227 2.861 1.00 0.00 C ATOM 700 CG ASN A 47 -13.941 -9.335 1.788 1.00 0.00 C ATOM 701 OD1 ASN A 47 -14.681 -8.384 1.534 1.00 0.00 O ATOM 702 ND2 ASN A 47 -14.024 -10.497 1.151 1.00 0.00 N ATOM 0 H ASN A 47 -12.470 -7.636 0.989 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.220 -7.216 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.020 -9.843 2.583 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -13.264 -9.627 3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -14.722 -10.628 0.419 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -13.390 -11.258 1.394 1.00 0.00 H new ATOM 709 N ARG A 48 -10.019 -7.911 3.458 1.00 0.00 N ATOM 710 CA ARG A 48 -8.794 -7.908 4.248 1.00 0.00 C ATOM 711 C ARG A 48 -8.140 -6.529 4.233 1.00 0.00 C ATOM 712 O ARG A 48 -7.977 -5.895 5.276 1.00 0.00 O ATOM 713 CB ARG A 48 -7.814 -8.954 3.714 1.00 0.00 C ATOM 714 CG ARG A 48 -8.207 -10.384 4.049 1.00 0.00 C ATOM 715 CD ARG A 48 -7.302 -11.388 3.353 1.00 0.00 C ATOM 716 NE ARG A 48 -7.355 -11.256 1.899 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.924 -12.192 1.060 1.00 0.00 C ATOM 718 NH1 ARG A 48 -6.411 -13.321 1.528 1.00 0.00 N ATOM 719 NH2 ARG A 48 -7.005 -11.998 -0.250 1.00 0.00 N ATOM 0 H ARG A 48 -9.874 -8.034 2.456 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.055 -8.156 5.277 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.740 -8.851 2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.823 -8.753 4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.156 -10.533 5.128 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.241 -10.557 3.752 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.276 -11.248 3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.596 -12.399 3.636 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.744 -10.399 1.506 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.346 -13.473 2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.081 -14.038 0.882 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.398 -11.130 -0.614 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.674 -12.717 -0.893 1.00 0.00 H new ATOM 733 N THR A 49 -7.767 -6.070 3.043 1.00 0.00 N ATOM 734 CA THR A 49 -7.130 -4.768 2.891 1.00 0.00 C ATOM 735 C THR A 49 -8.088 -3.641 3.259 1.00 0.00 C ATOM 736 O THR A 49 -9.263 -3.667 2.891 1.00 0.00 O ATOM 737 CB THR A 49 -6.629 -4.552 1.450 1.00 0.00 C ATOM 738 OG1 THR A 49 -5.890 -5.697 1.012 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.753 -3.311 1.363 1.00 0.00 C ATOM 0 H THR A 49 -7.895 -6.581 2.170 1.00 0.00 H new ATOM 0 HA THR A 49 -6.277 -4.752 3.570 1.00 0.00 H new ATOM 0 HB THR A 49 -7.495 -4.411 0.804 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.576 -5.553 0.095 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.411 -3.178 0.337 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.328 -2.437 1.669 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.891 -3.427 2.021 1.00 0.00 H new ATOM 747 N ARG A 50 -7.579 -2.652 3.986 1.00 0.00 N ATOM 748 CA ARG A 50 -8.391 -1.515 4.403 1.00 0.00 C ATOM 749 C ARG A 50 -7.589 -0.219 4.333 1.00 0.00 C ATOM 750 O ARG A 50 -6.660 -0.009 5.114 1.00 0.00 O ATOM 751 CB ARG A 50 -8.912 -1.728 5.826 1.00 0.00 C ATOM 752 CG ARG A 50 -9.550 -0.489 6.433 1.00 0.00 C ATOM 753 CD ARG A 50 -10.850 -0.131 5.730 1.00 0.00 C ATOM 754 NE ARG A 50 -11.596 0.898 6.450 1.00 0.00 N ATOM 755 CZ ARG A 50 -12.205 0.687 7.611 1.00 0.00 C ATOM 756 NH1 ARG A 50 -12.156 -0.509 8.182 1.00 0.00 N ATOM 757 NH2 ARG A 50 -12.864 1.674 8.205 1.00 0.00 N ATOM 0 H ARG A 50 -6.609 -2.615 4.298 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.237 -1.436 3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.643 -2.536 5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.087 -2.050 6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.743 -0.659 7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.856 0.349 6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.632 0.218 4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.467 -1.024 5.632 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.652 1.830 6.038 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.649 -1.270 7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.625 -0.668 9.074 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.903 2.596 7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.331 1.511 9.097 1.00 0.00 H new ATOM 771 N ILE A 51 -7.954 0.646 3.393 1.00 0.00 N ATOM 772 CA ILE A 51 -7.268 1.921 3.221 1.00 0.00 C ATOM 773 C ILE A 51 -8.019 3.048 3.923 1.00 0.00 C ATOM 774 O ILE A 51 -8.997 3.581 3.396 1.00 0.00 O ATOM 775 CB ILE A 51 -7.107 2.277 1.731 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.194 1.264 1.038 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.553 3.686 1.581 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.394 1.196 -0.459 1.00 0.00 C ATOM 0 H ILE A 51 -8.721 0.488 2.739 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.280 1.811 3.669 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.087 2.239 1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.155 1.521 1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.370 0.277 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.445 3.924 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.237 4.397 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.580 3.748 2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.714 0.458 -0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.423 0.909 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.190 2.172 -0.898 1.00 0.00 H new ATOM 790 N THR A 52 -7.555 3.408 5.115 1.00 0.00 N ATOM 791 CA THR A 52 -8.182 4.472 5.890 1.00 0.00 C ATOM 792 C THR A 52 -7.691 5.843 5.438 1.00 0.00 C ATOM 793 O THR A 52 -7.834 6.832 6.156 1.00 0.00 O ATOM 794 CB THR A 52 -7.903 4.310 7.396 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.502 4.107 7.616 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.686 3.137 7.968 1.00 0.00 C ATOM 0 H THR A 52 -6.747 2.978 5.565 1.00 0.00 H new ATOM 0 HA THR A 52 -9.256 4.398 5.718 1.00 0.00 H new ATOM 0 HB THR A 52 -8.222 5.221 7.902 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.041 4.049 6.753 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.473 3.042 9.033 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.753 3.308 7.825 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.393 2.220 7.456 1.00 0.00 H new ATOM 804 N GLY A 53 -7.111 5.895 4.243 1.00 0.00 N ATOM 805 CA GLY A 53 -6.608 7.150 3.717 1.00 0.00 C ATOM 806 C GLY A 53 -5.102 7.269 3.840 1.00 0.00 C ATOM 807 O GLY A 53 -4.386 7.228 2.840 1.00 0.00 O ATOM 0 H GLY A 53 -6.981 5.090 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.892 7.241 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.079 7.977 4.248 1.00 0.00 H new ATOM 811 N GLU A 54 -4.620 7.418 5.070 1.00 0.00 N ATOM 812 CA GLU A 54 -3.189 7.546 5.319 1.00 0.00 C ATOM 813 C GLU A 54 -2.630 6.272 5.945 1.00 0.00 C ATOM 814 O GLU A 54 -1.418 6.125 6.102 1.00 0.00 O ATOM 815 CB GLU A 54 -2.913 8.741 6.234 1.00 0.00 C ATOM 816 CG GLU A 54 -2.925 8.391 7.712 1.00 0.00 C ATOM 817 CD GLU A 54 -2.997 9.617 8.602 1.00 0.00 C ATOM 818 OE1 GLU A 54 -1.935 10.217 8.871 1.00 0.00 O ATOM 819 OE2 GLU A 54 -4.114 9.976 9.028 1.00 0.00 O ATOM 0 H GLU A 54 -5.199 7.453 5.909 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.693 7.708 4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.943 9.167 5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.660 9.512 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.777 7.744 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.027 7.823 7.954 1.00 0.00 H new ATOM 826 N GLU A 55 -3.523 5.353 6.302 1.00 0.00 N ATOM 827 CA GLU A 55 -3.119 4.093 6.912 1.00 0.00 C ATOM 828 C GLU A 55 -3.791 2.912 6.218 1.00 0.00 C ATOM 829 O GLU A 55 -4.968 2.973 5.864 1.00 0.00 O ATOM 830 CB GLU A 55 -3.466 4.087 8.402 1.00 0.00 C ATOM 831 CG GLU A 55 -2.423 4.767 9.273 1.00 0.00 C ATOM 832 CD GLU A 55 -2.883 4.938 10.708 1.00 0.00 C ATOM 833 OE1 GLU A 55 -4.011 5.432 10.914 1.00 0.00 O ATOM 834 OE2 GLU A 55 -2.114 4.578 11.625 1.00 0.00 O ATOM 0 H GLU A 55 -4.530 5.459 6.179 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.040 3.994 6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.426 4.583 8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.588 3.056 8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.504 4.181 9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.185 5.744 8.853 1.00 0.00 H new ATOM 841 N VAL A 56 -3.033 1.837 6.025 1.00 0.00 N ATOM 842 CA VAL A 56 -3.554 0.641 5.373 1.00 0.00 C ATOM 843 C VAL A 56 -3.531 -0.554 6.319 1.00 0.00 C ATOM 844 O VAL A 56 -2.598 -0.719 7.104 1.00 0.00 O ATOM 845 CB VAL A 56 -2.748 0.295 4.107 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.226 -1.021 3.512 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.850 1.419 3.087 1.00 0.00 C ATOM 0 H VAL A 56 -2.056 1.770 6.311 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.584 0.858 5.090 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.700 0.181 4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.645 -1.249 2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.096 -1.819 4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.280 -0.939 3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.275 1.158 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.894 1.567 2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.454 2.339 3.518 1.00 0.00 H new ATOM 857 N GLU A 57 -4.566 -1.386 6.238 1.00 0.00 N ATOM 858 CA GLU A 57 -4.664 -2.567 7.088 1.00 0.00 C ATOM 859 C GLU A 57 -5.194 -3.761 6.301 1.00 0.00 C ATOM 860 O GLU A 57 -6.307 -3.730 5.777 1.00 0.00 O ATOM 861 CB GLU A 57 -5.575 -2.286 8.285 1.00 0.00 C ATOM 862 CG GLU A 57 -5.902 -3.524 9.104 1.00 0.00 C ATOM 863 CD GLU A 57 -6.831 -3.226 10.265 1.00 0.00 C ATOM 864 OE1 GLU A 57 -6.429 -2.462 11.166 1.00 0.00 O ATOM 865 OE2 GLU A 57 -7.961 -3.758 10.272 1.00 0.00 O ATOM 0 H GLU A 57 -5.347 -1.264 5.593 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.664 -2.807 7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.096 -1.550 8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.504 -1.841 7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.362 -4.272 8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.978 -3.958 9.485 1.00 0.00 H new ATOM 872 N VAL A 58 -4.387 -4.815 6.221 1.00 0.00 N ATOM 873 CA VAL A 58 -4.773 -6.021 5.498 1.00 0.00 C ATOM 874 C VAL A 58 -4.769 -7.237 6.417 1.00 0.00 C ATOM 875 O VAL A 58 -3.712 -7.716 6.824 1.00 0.00 O ATOM 876 CB VAL A 58 -3.832 -6.287 4.308 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.425 -7.339 3.383 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.551 -4.998 3.552 1.00 0.00 C ATOM 0 H VAL A 58 -3.462 -4.858 6.648 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.783 -5.856 5.123 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.886 -6.668 4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.746 -7.514 2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.569 -8.268 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.385 -6.990 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.885 -5.205 2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.487 -4.585 3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.079 -4.279 4.222 1.00 0.00 H new ATOM 888 N GLN A 59 -5.960 -7.732 6.739 1.00 0.00 N ATOM 889 CA GLN A 59 -6.094 -8.893 7.610 1.00 0.00 C ATOM 890 C GLN A 59 -5.680 -10.169 6.884 1.00 0.00 C ATOM 891 O GLN A 59 -5.876 -10.299 5.676 1.00 0.00 O ATOM 892 CB GLN A 59 -7.535 -9.020 8.108 1.00 0.00 C ATOM 893 CG GLN A 59 -8.015 -7.811 8.896 1.00 0.00 C ATOM 894 CD GLN A 59 -9.479 -7.907 9.276 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.943 -8.945 9.748 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.216 -6.821 9.074 1.00 0.00 N ATOM 0 H GLN A 59 -6.845 -7.347 6.410 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.433 -8.752 8.465 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.194 -9.171 7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.617 -9.908 8.735 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.415 -7.709 9.800 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.855 -6.910 8.304 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.790 -5.982 8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.208 -6.826 9.313 1.00 0.00 H new ATOM 905 N ASP A 60 -5.108 -11.108 7.629 1.00 0.00 N ATOM 906 CA ASP A 60 -4.667 -12.375 7.057 1.00 0.00 C ATOM 907 C ASP A 60 -3.789 -12.141 5.832 1.00 0.00 C ATOM 908 O ASP A 60 -3.922 -12.829 4.819 1.00 0.00 O ATOM 909 CB ASP A 60 -5.873 -13.235 6.678 1.00 0.00 C ATOM 910 CG ASP A 60 -5.578 -14.719 6.771 1.00 0.00 C ATOM 911 OD1 ASP A 60 -5.589 -15.258 7.898 1.00 0.00 O ATOM 912 OD2 ASP A 60 -5.337 -15.343 5.716 1.00 0.00 O ATOM 0 H ASP A 60 -4.939 -11.016 8.631 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.078 -12.900 7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.709 -12.992 7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.184 -12.992 5.662 1.00 0.00 H new ATOM 917 N SER A 61 -2.891 -11.166 5.930 1.00 0.00 N ATOM 918 CA SER A 61 -1.994 -10.837 4.829 1.00 0.00 C ATOM 919 C SER A 61 -1.478 -12.104 4.153 1.00 0.00 C ATOM 920 O SER A 61 -1.572 -13.200 4.707 1.00 0.00 O ATOM 921 CB SER A 61 -0.818 -9.999 5.333 1.00 0.00 C ATOM 922 OG SER A 61 0.084 -10.788 6.088 1.00 0.00 O ATOM 0 H SER A 61 -2.765 -10.589 6.762 1.00 0.00 H new ATOM 0 HA SER A 61 -2.555 -10.257 4.096 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.296 -9.554 4.486 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.189 -9.178 5.946 1.00 0.00 H new ATOM 0 HG SER A 61 0.827 -10.229 6.397 1.00 0.00 H new ATOM 928 N VAL A 62 -0.932 -11.946 2.951 1.00 0.00 N ATOM 929 CA VAL A 62 -0.399 -13.075 2.199 1.00 0.00 C ATOM 930 C VAL A 62 0.840 -12.673 1.407 1.00 0.00 C ATOM 931 O VAL A 62 1.095 -11.493 1.162 1.00 0.00 O ATOM 932 CB VAL A 62 -1.449 -13.651 1.231 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.244 -14.760 1.903 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.372 -12.550 0.731 1.00 0.00 C ATOM 0 H VAL A 62 -0.847 -11.047 2.478 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.129 -13.840 2.927 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.931 -14.078 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.981 -15.155 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.568 -15.559 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.753 -14.362 2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.108 -12.974 0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.884 -12.092 1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.786 -11.793 0.209 1.00 0.00 H new ATOM 944 N PRO A 63 1.631 -13.675 0.996 1.00 0.00 N ATOM 945 CA PRO A 63 2.857 -13.450 0.224 1.00 0.00 C ATOM 946 C PRO A 63 2.569 -12.965 -1.193 1.00 0.00 C ATOM 947 O PRO A 63 3.486 -12.753 -1.985 1.00 0.00 O ATOM 948 CB PRO A 63 3.515 -14.832 0.192 1.00 0.00 C ATOM 949 CG PRO A 63 2.388 -15.792 0.362 1.00 0.00 C ATOM 950 CD PRO A 63 1.389 -15.105 1.252 1.00 0.00 C ATOM 0 HA PRO A 63 3.482 -12.675 0.668 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.039 -14.999 -0.749 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.250 -14.939 0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.943 -16.046 -0.600 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.733 -16.724 0.810 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.367 -15.390 1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.545 -15.357 2.301 1.00 0.00 H new ATOM 958 N ALA A 64 1.289 -12.791 -1.505 1.00 0.00 N ATOM 959 CA ALA A 64 0.881 -12.328 -2.826 1.00 0.00 C ATOM 960 C ALA A 64 0.525 -10.846 -2.802 1.00 0.00 C ATOM 961 O ALA A 64 0.567 -10.171 -3.832 1.00 0.00 O ATOM 962 CB ALA A 64 -0.298 -13.148 -3.331 1.00 0.00 C ATOM 0 H ALA A 64 0.517 -12.964 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 64 1.721 -12.462 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.593 -12.792 -4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.011 -14.198 -3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.136 -13.043 -2.642 1.00 0.00 H new ATOM 968 N ASP A 65 0.176 -10.344 -1.623 1.00 0.00 N ATOM 969 CA ASP A 65 -0.187 -8.941 -1.466 1.00 0.00 C ATOM 970 C ASP A 65 1.053 -8.081 -1.239 1.00 0.00 C ATOM 971 O ASP A 65 1.030 -6.870 -1.458 1.00 0.00 O ATOM 972 CB ASP A 65 -1.161 -8.771 -0.299 1.00 0.00 C ATOM 973 CG ASP A 65 -2.448 -9.547 -0.501 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.833 -9.761 -1.669 1.00 0.00 O ATOM 975 OD2 ASP A 65 -3.070 -9.938 0.509 1.00 0.00 O ATOM 0 H ASP A 65 0.137 -10.888 -0.761 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.672 -8.612 -2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.681 -9.102 0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.394 -7.713 -0.175 1.00 0.00 H new ATOM 980 N SER A 66 2.134 -8.716 -0.798 1.00 0.00 N ATOM 981 CA SER A 66 3.383 -8.009 -0.536 1.00 0.00 C ATOM 982 C SER A 66 3.772 -7.137 -1.726 1.00 0.00 C ATOM 983 O SER A 66 3.125 -7.169 -2.771 1.00 0.00 O ATOM 984 CB SER A 66 4.503 -9.005 -0.230 1.00 0.00 C ATOM 985 OG SER A 66 4.107 -9.928 0.770 1.00 0.00 O ATOM 0 H SER A 66 2.171 -9.719 -0.614 1.00 0.00 H new ATOM 0 HA SER A 66 3.233 -7.365 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.774 -9.543 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.392 -8.467 0.099 1.00 0.00 H new ATOM 0 HG SER A 66 4.437 -10.822 0.539 1.00 0.00 H new ATOM 991 N GLY A 67 4.836 -6.358 -1.557 1.00 0.00 N ATOM 992 CA GLY A 67 5.295 -5.487 -2.623 1.00 0.00 C ATOM 993 C GLY A 67 5.808 -4.158 -2.106 1.00 0.00 C ATOM 994 O GLY A 67 6.093 -4.014 -0.917 1.00 0.00 O ATOM 0 H GLY A 67 5.388 -6.315 -0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.087 -5.987 -3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.477 -5.310 -3.321 1.00 0.00 H new ATOM 998 N LEU A 68 5.929 -3.184 -3.001 1.00 0.00 N ATOM 999 CA LEU A 68 6.414 -1.859 -2.630 1.00 0.00 C ATOM 1000 C LEU A 68 5.291 -0.829 -2.700 1.00 0.00 C ATOM 1001 O LEU A 68 4.967 -0.321 -3.773 1.00 0.00 O ATOM 1002 CB LEU A 68 7.564 -1.439 -3.547 1.00 0.00 C ATOM 1003 CG LEU A 68 8.124 -0.034 -3.321 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.984 0.003 -2.067 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.924 0.422 -4.532 1.00 0.00 C ATOM 0 H LEU A 68 5.698 -3.287 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 68 6.776 -1.906 -1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.377 -2.156 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.223 -1.511 -4.580 1.00 0.00 H new ATOM 0 HG LEU A 68 7.288 0.652 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.374 1.011 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.381 -0.280 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.814 -0.695 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.315 1.424 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.752 -0.266 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.279 0.435 -5.410 1.00 0.00 H new ATOM 1017 N TYR A 69 4.703 -0.524 -1.548 1.00 0.00 N ATOM 1018 CA TYR A 69 3.616 0.446 -1.479 1.00 0.00 C ATOM 1019 C TYR A 69 4.152 1.872 -1.555 1.00 0.00 C ATOM 1020 O TYR A 69 5.255 2.157 -1.090 1.00 0.00 O ATOM 1021 CB TYR A 69 2.818 0.257 -0.187 1.00 0.00 C ATOM 1022 CG TYR A 69 2.088 -1.065 -0.115 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.782 -2.257 0.051 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.703 -1.122 -0.210 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.119 -3.467 0.117 1.00 0.00 C ATOM 1026 CE2 TYR A 69 0.031 -2.328 -0.143 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.744 -3.497 0.020 1.00 0.00 C ATOM 1028 OH TYR A 69 0.079 -4.700 0.087 1.00 0.00 O ATOM 0 H TYR A 69 4.961 -0.934 -0.650 1.00 0.00 H new ATOM 0 HA TYR A 69 2.959 0.279 -2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.495 0.335 0.663 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.095 1.067 -0.094 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.859 -2.237 0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.142 -0.208 -0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.675 -4.384 0.244 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.046 -2.355 -0.218 1.00 0.00 H new ATOM 0 HH TYR A 69 0.612 -5.393 -0.355 1.00 0.00 H new ATOM 1038 N ALA A 70 3.362 2.763 -2.144 1.00 0.00 N ATOM 1039 CA ALA A 70 3.755 4.161 -2.279 1.00 0.00 C ATOM 1040 C ALA A 70 2.552 5.086 -2.128 1.00 0.00 C ATOM 1041 O ALA A 70 1.663 5.109 -2.980 1.00 0.00 O ATOM 1042 CB ALA A 70 4.435 4.390 -3.620 1.00 0.00 C ATOM 0 H ALA A 70 2.446 2.542 -2.535 1.00 0.00 H new ATOM 0 HA ALA A 70 4.461 4.394 -1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.723 5.438 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.323 3.762 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.746 4.135 -4.425 1.00 0.00 H new ATOM 1048 N CYS A 71 2.530 5.848 -1.040 1.00 0.00 N ATOM 1049 CA CYS A 71 1.436 6.774 -0.776 1.00 0.00 C ATOM 1050 C CYS A 71 1.785 8.179 -1.260 1.00 0.00 C ATOM 1051 O CYS A 71 2.809 8.744 -0.875 1.00 0.00 O ATOM 1052 CB CYS A 71 1.114 6.804 0.719 1.00 0.00 C ATOM 1053 SG CYS A 71 2.186 7.912 1.689 1.00 0.00 S ATOM 0 H CYS A 71 3.259 5.842 -0.326 1.00 0.00 H new ATOM 0 HA CYS A 71 0.559 6.427 -1.322 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.077 7.113 0.850 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.198 5.793 1.118 1.00 0.00 H new ATOM 1058 N VAL A 72 0.925 8.737 -2.107 1.00 0.00 N ATOM 1059 CA VAL A 72 1.141 10.076 -2.643 1.00 0.00 C ATOM 1060 C VAL A 72 0.056 11.038 -2.171 1.00 0.00 C ATOM 1061 O VAL A 72 -1.133 10.812 -2.399 1.00 0.00 O ATOM 1062 CB VAL A 72 1.168 10.066 -4.183 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.526 11.444 -4.720 1.00 0.00 C ATOM 1064 CG2 VAL A 72 2.145 9.016 -4.691 1.00 0.00 C ATOM 0 H VAL A 72 0.073 8.283 -2.436 1.00 0.00 H new ATOM 0 HA VAL A 72 2.109 10.414 -2.272 1.00 0.00 H new ATOM 0 HB VAL A 72 0.173 9.809 -4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.540 11.417 -5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.785 12.169 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.510 11.734 -4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.152 9.022 -5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.145 9.240 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.839 8.032 -4.336 1.00 0.00 H new ATOM 1074 N THR A 73 0.474 12.114 -1.512 1.00 0.00 N ATOM 1075 CA THR A 73 -0.462 13.111 -1.007 1.00 0.00 C ATOM 1076 C THR A 73 -0.495 14.340 -1.908 1.00 0.00 C ATOM 1077 O THR A 73 0.547 14.907 -2.239 1.00 0.00 O ATOM 1078 CB THR A 73 -0.098 13.548 0.425 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.073 14.372 0.403 1.00 0.00 O ATOM 1080 CG2 THR A 73 0.144 12.338 1.315 1.00 0.00 C ATOM 0 H THR A 73 1.454 12.317 -1.316 1.00 0.00 H new ATOM 0 HA THR A 73 -1.447 12.644 -0.998 1.00 0.00 H new ATOM 0 HB THR A 73 -0.934 14.117 0.831 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.232 14.690 -0.510 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.399 12.671 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.759 11.728 1.353 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.965 11.746 0.910 1.00 0.00 H new ATOM 1088 N SER A 74 -1.697 14.748 -2.301 1.00 0.00 N ATOM 1089 CA SER A 74 -1.865 15.909 -3.167 1.00 0.00 C ATOM 1090 C SER A 74 -1.981 17.188 -2.344 1.00 0.00 C ATOM 1091 O SER A 74 -2.984 17.416 -1.668 1.00 0.00 O ATOM 1092 CB SER A 74 -3.106 15.741 -4.046 1.00 0.00 C ATOM 1093 OG SER A 74 -2.798 15.029 -5.232 1.00 0.00 O ATOM 0 H SER A 74 -2.569 14.292 -2.033 1.00 0.00 H new ATOM 0 HA SER A 74 -0.984 15.986 -3.805 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.880 15.211 -3.491 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.510 16.721 -4.301 1.00 0.00 H new ATOM 0 HG SER A 74 -3.608 14.933 -5.776 1.00 0.00 H new ATOM 1153 N ASP A 80 3.841 14.774 -2.002 1.00 0.00 N ATOM 1154 CA ASP A 80 4.740 13.912 -1.243 1.00 0.00 C ATOM 1155 C ASP A 80 4.565 12.452 -1.649 1.00 0.00 C ATOM 1156 O ASP A 80 3.557 12.080 -2.251 1.00 0.00 O ATOM 1157 CB ASP A 80 4.487 14.070 0.257 1.00 0.00 C ATOM 1158 CG ASP A 80 4.838 12.820 1.039 1.00 0.00 C ATOM 1159 OD1 ASP A 80 3.971 11.928 1.153 1.00 0.00 O ATOM 1160 OD2 ASP A 80 5.981 12.732 1.535 1.00 0.00 O ATOM 0 HA ASP A 80 5.764 14.212 -1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.073 14.908 0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.438 14.315 0.422 1.00 0.00 H new ATOM 1165 N THR A 81 5.554 11.628 -1.317 1.00 0.00 N ATOM 1166 CA THR A 81 5.510 10.210 -1.650 1.00 0.00 C ATOM 1167 C THR A 81 6.258 9.379 -0.613 1.00 0.00 C ATOM 1168 O THR A 81 7.436 9.616 -0.344 1.00 0.00 O ATOM 1169 CB THR A 81 6.115 9.940 -3.040 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.635 10.909 -3.980 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.761 8.541 -3.522 1.00 0.00 C ATOM 0 H THR A 81 6.395 11.918 -0.818 1.00 0.00 H new ATOM 0 HA THR A 81 4.459 9.919 -1.657 1.00 0.00 H new ATOM 0 HB THR A 81 7.199 10.017 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.026 10.731 -4.861 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.199 8.373 -4.506 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.152 7.804 -2.820 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.677 8.441 -3.586 1.00 0.00 H new ATOM 1179 N THR A 82 5.567 8.403 -0.033 1.00 0.00 N ATOM 1180 CA THR A 82 6.166 7.537 0.975 1.00 0.00 C ATOM 1181 C THR A 82 6.127 6.077 0.538 1.00 0.00 C ATOM 1182 O THR A 82 5.058 5.525 0.278 1.00 0.00 O ATOM 1183 CB THR A 82 5.450 7.674 2.331 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.076 9.039 2.551 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.344 7.199 3.466 1.00 0.00 C ATOM 0 H THR A 82 4.592 8.192 -0.244 1.00 0.00 H new ATOM 0 HA THR A 82 7.203 7.853 1.087 1.00 0.00 H new ATOM 0 HB THR A 82 4.556 7.051 2.309 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.119 9.149 2.370 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.816 7.306 4.414 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.604 6.152 3.311 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.254 7.799 3.488 1.00 0.00 H new ATOM 1193 N TYR A 83 7.299 5.456 0.462 1.00 0.00 N ATOM 1194 CA TYR A 83 7.398 4.059 0.055 1.00 0.00 C ATOM 1195 C TYR A 83 7.372 3.135 1.269 1.00 0.00 C ATOM 1196 O TYR A 83 7.678 3.550 2.387 1.00 0.00 O ATOM 1197 CB TYR A 83 8.681 3.829 -0.746 1.00 0.00 C ATOM 1198 CG TYR A 83 8.725 4.593 -2.051 1.00 0.00 C ATOM 1199 CD1 TYR A 83 8.227 4.034 -3.222 1.00 0.00 C ATOM 1200 CD2 TYR A 83 9.264 5.872 -2.113 1.00 0.00 C ATOM 1201 CE1 TYR A 83 8.266 4.728 -4.416 1.00 0.00 C ATOM 1202 CE2 TYR A 83 9.305 6.573 -3.302 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.805 5.997 -4.451 1.00 0.00 C ATOM 1204 OH TYR A 83 8.846 6.691 -5.638 1.00 0.00 O ATOM 0 H TYR A 83 8.193 5.897 0.677 1.00 0.00 H new ATOM 0 HA TYR A 83 6.538 3.829 -0.574 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.537 4.118 -0.136 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.783 2.764 -0.954 1.00 0.00 H new ATOM 0 HD1 TYR A 83 7.803 3.041 -3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 83 9.658 6.326 -1.216 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.876 4.279 -5.318 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.726 7.567 -3.332 1.00 0.00 H new ATOM 0 HH TYR A 83 9.255 7.569 -5.490 1.00 0.00 H new ATOM 1214 N PHE A 84 7.003 1.879 1.040 1.00 0.00 N ATOM 1215 CA PHE A 84 6.935 0.894 2.113 1.00 0.00 C ATOM 1216 C PHE A 84 7.225 -0.508 1.585 1.00 0.00 C ATOM 1217 O PHE A 84 6.431 -1.077 0.836 1.00 0.00 O ATOM 1218 CB PHE A 84 5.557 0.926 2.777 1.00 0.00 C ATOM 1219 CG PHE A 84 5.049 2.316 3.036 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.320 2.992 2.071 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.299 2.945 4.245 1.00 0.00 C ATOM 1222 CE1 PHE A 84 3.851 4.271 2.307 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.833 4.224 4.486 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.107 4.887 3.516 1.00 0.00 C ATOM 0 H PHE A 84 6.746 1.519 0.121 1.00 0.00 H new ATOM 0 HA PHE A 84 7.694 1.148 2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.844 0.400 2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.605 0.383 3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.116 2.515 1.124 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.864 2.430 5.008 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.285 4.788 1.546 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.036 4.704 5.432 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.740 5.885 3.703 1.00 0.00 H new ATOM 1234 N SER A 85 8.369 -1.058 1.979 1.00 0.00 N ATOM 1235 CA SER A 85 8.767 -2.391 1.542 1.00 0.00 C ATOM 1236 C SER A 85 8.146 -3.462 2.433 1.00 0.00 C ATOM 1237 O SER A 85 8.611 -3.707 3.546 1.00 0.00 O ATOM 1238 CB SER A 85 10.291 -2.521 1.556 1.00 0.00 C ATOM 1239 OG SER A 85 10.687 -3.881 1.529 1.00 0.00 O ATOM 0 H SER A 85 9.037 -0.601 2.600 1.00 0.00 H new ATOM 0 HA SER A 85 8.406 -2.536 0.524 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.711 -1.999 0.696 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.692 -2.040 2.448 1.00 0.00 H new ATOM 0 HG SER A 85 11.665 -3.937 1.537 1.00 0.00 H new ATOM 1245 N VAL A 86 7.090 -4.099 1.934 1.00 0.00 N ATOM 1246 CA VAL A 86 6.404 -5.145 2.683 1.00 0.00 C ATOM 1247 C VAL A 86 6.827 -6.530 2.205 1.00 0.00 C ATOM 1248 O VAL A 86 7.172 -6.716 1.039 1.00 0.00 O ATOM 1249 CB VAL A 86 4.875 -5.015 2.556 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.187 -6.262 3.089 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.384 -3.773 3.285 1.00 0.00 C ATOM 0 H VAL A 86 6.692 -3.908 1.015 1.00 0.00 H new ATOM 0 HA VAL A 86 6.686 -5.023 3.729 1.00 0.00 H new ATOM 0 HB VAL A 86 4.623 -4.913 1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.107 -6.152 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.516 -7.131 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.444 -6.398 4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.301 -3.697 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.647 -3.843 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.852 -2.889 2.852 1.00 0.00 H new ATOM 1261 N ASN A 87 6.798 -7.498 3.115 1.00 0.00 N ATOM 1262 CA ASN A 87 7.178 -8.867 2.786 1.00 0.00 C ATOM 1263 C ASN A 87 6.416 -9.866 3.652 1.00 0.00 C ATOM 1264 O ASN A 87 6.702 -10.020 4.839 1.00 0.00 O ATOM 1265 CB ASN A 87 8.685 -9.059 2.973 1.00 0.00 C ATOM 1266 CG ASN A 87 9.259 -10.088 2.019 1.00 0.00 C ATOM 1267 OD1 ASN A 87 9.440 -9.818 0.832 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.548 -11.277 2.536 1.00 0.00 N ATOM 0 H ASN A 87 6.516 -7.360 4.085 1.00 0.00 H new ATOM 0 HA ASN A 87 6.922 -9.048 1.742 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.191 -8.106 2.823 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.885 -9.368 3.999 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.937 -12.010 1.943 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.381 -11.457 3.526 1.00 0.00 H new ATOM 1275 N VAL A 88 5.444 -10.543 3.049 1.00 0.00 N ATOM 1276 CA VAL A 88 4.641 -11.529 3.763 1.00 0.00 C ATOM 1277 C VAL A 88 5.124 -12.945 3.472 1.00 0.00 C ATOM 1278 O VAL A 88 5.125 -13.388 2.323 1.00 0.00 O ATOM 1279 CB VAL A 88 3.152 -11.418 3.388 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.318 -12.379 4.221 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.664 -9.987 3.562 1.00 0.00 C ATOM 0 H VAL A 88 5.193 -10.427 2.067 1.00 0.00 H new ATOM 0 HA VAL A 88 4.756 -11.321 4.827 1.00 0.00 H new ATOM 0 HB VAL A 88 3.038 -11.692 2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.268 -12.286 3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.652 -13.401 4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.435 -12.140 5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.610 -9.927 3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.791 -9.683 4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.242 -9.325 2.917 1.00 0.00 H new ATOM 1291 N SER A 89 5.532 -13.653 4.520 1.00 0.00 N ATOM 1292 CA SER A 89 6.020 -15.019 4.377 1.00 0.00 C ATOM 1293 C SER A 89 6.044 -15.732 5.726 1.00 0.00 C ATOM 1294 O SER A 89 6.431 -15.151 6.740 1.00 0.00 O ATOM 1295 CB SER A 89 7.421 -15.021 3.761 1.00 0.00 C ATOM 1296 OG SER A 89 7.730 -16.286 3.202 1.00 0.00 O ATOM 0 H SER A 89 5.534 -13.303 5.478 1.00 0.00 H new ATOM 0 HA SER A 89 5.339 -15.554 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.484 -14.254 2.989 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.157 -14.767 4.523 1.00 0.00 H new ATOM 0 HG SER A 89 8.629 -16.261 2.813 1.00 0.00 H new ATOM 1302 N ASP A 90 5.627 -16.993 5.729 1.00 0.00 N ATOM 1303 CA ASP A 90 5.601 -17.787 6.952 1.00 0.00 C ATOM 1304 C ASP A 90 6.966 -17.782 7.632 1.00 0.00 C ATOM 1305 O ASP A 90 7.061 -17.867 8.856 1.00 0.00 O ATOM 1306 CB ASP A 90 5.176 -19.223 6.644 1.00 0.00 C ATOM 1307 CG ASP A 90 5.990 -19.841 5.524 1.00 0.00 C ATOM 1308 OD1 ASP A 90 5.627 -19.638 4.346 1.00 0.00 O ATOM 1309 OD2 ASP A 90 6.990 -20.525 5.825 1.00 0.00 O ATOM 0 H ASP A 90 5.302 -17.488 4.898 1.00 0.00 H new ATOM 0 HA ASP A 90 4.875 -17.340 7.631 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.281 -19.830 7.543 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.121 -19.236 6.372 1.00 0.00 H new