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= 0.232 K(o=1.3,f=-5.9!) USER MOD Set 1.2: A 42 GLN : amide:sc= 1.05 K(o=1.3,f=-0.066) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -3.96! C(o=-4!,f=-4!) USER MOD Single : A 22 GLN : amide:sc= -0.137 K(o=-0.14,f=-2!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 38:sc= 0.0771 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -64:sc= 0.686 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0657 USER MOD Single : A 66 SER OG : rot 150:sc= 0.778 USER MOD Single : A 69 TYR OH : rot -53:sc= 1.58 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 82 THR OG1 : rot 102:sc= 0.687 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 12.408 4.391 2.112 1.00 0.00 N ATOM 98 CA VAL A 10 11.615 3.192 1.865 1.00 0.00 C ATOM 99 C VAL A 10 11.413 2.394 3.148 1.00 0.00 C ATOM 100 O VAL A 10 12.238 1.552 3.502 1.00 0.00 O ATOM 101 CB VAL A 10 12.279 2.288 0.809 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.461 1.023 0.600 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.456 3.041 -0.501 1.00 0.00 C ATOM 0 HA VAL A 10 10.646 3.524 1.491 1.00 0.00 H new ATOM 0 HB VAL A 10 13.266 1.999 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.945 0.396 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.391 0.476 1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.460 1.289 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.926 2.387 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.482 3.361 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.087 3.915 -0.336 1.00 0.00 H new ATOM 113 N GLU A 11 10.310 2.663 3.839 1.00 0.00 N ATOM 114 CA GLU A 11 10.001 1.969 5.083 1.00 0.00 C ATOM 115 C GLU A 11 9.893 0.464 4.854 1.00 0.00 C ATOM 116 O GLU A 11 8.984 -0.007 4.171 1.00 0.00 O ATOM 117 CB GLU A 11 8.695 2.500 5.678 1.00 0.00 C ATOM 118 CG GLU A 11 8.632 2.402 7.193 1.00 0.00 C ATOM 119 CD GLU A 11 7.567 3.300 7.792 1.00 0.00 C ATOM 120 OE1 GLU A 11 7.226 4.320 7.157 1.00 0.00 O ATOM 121 OE2 GLU A 11 7.076 2.984 8.896 1.00 0.00 O ATOM 0 H GLU A 11 9.616 3.356 3.559 1.00 0.00 H new ATOM 0 HA GLU A 11 10.814 2.155 5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.569 3.542 5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.859 1.945 5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.434 1.369 7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.603 2.667 7.611 1.00 0.00 H new ATOM 128 N SER A 12 10.828 -0.285 5.431 1.00 0.00 N ATOM 129 CA SER A 12 10.841 -1.736 5.287 1.00 0.00 C ATOM 130 C SER A 12 9.912 -2.392 6.304 1.00 0.00 C ATOM 131 O SER A 12 9.757 -1.906 7.424 1.00 0.00 O ATOM 132 CB SER A 12 12.264 -2.273 5.458 1.00 0.00 C ATOM 133 OG SER A 12 12.251 -3.612 5.922 1.00 0.00 O ATOM 0 H SER A 12 11.586 0.089 6.002 1.00 0.00 H new ATOM 0 HA SER A 12 10.485 -1.980 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.793 -2.220 4.507 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.811 -1.646 6.162 1.00 0.00 H new ATOM 0 HG SER A 12 13.172 -3.933 6.022 1.00 0.00 H new ATOM 139 N PHE A 13 9.295 -3.499 5.904 1.00 0.00 N ATOM 140 CA PHE A 13 8.380 -4.222 6.779 1.00 0.00 C ATOM 141 C PHE A 13 8.552 -5.730 6.619 1.00 0.00 C ATOM 142 O PHE A 13 9.200 -6.196 5.681 1.00 0.00 O ATOM 143 CB PHE A 13 6.933 -3.827 6.477 1.00 0.00 C ATOM 144 CG PHE A 13 6.529 -2.515 7.086 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.838 -1.320 6.455 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.841 -2.476 8.287 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.469 -0.111 7.014 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.469 -1.270 8.851 1.00 0.00 C ATOM 149 CZ PHE A 13 5.782 -0.086 8.212 1.00 0.00 C ATOM 0 H PHE A 13 9.412 -3.915 4.980 1.00 0.00 H new ATOM 0 HA PHE A 13 8.615 -3.955 7.809 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.797 -3.774 5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.268 -4.609 6.844 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.373 -1.334 5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.592 -3.399 8.789 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.718 0.814 6.514 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.935 -1.254 9.789 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.490 0.858 8.648 1.00 0.00 H new ATOM 159 N LEU A 14 7.968 -6.487 7.542 1.00 0.00 N ATOM 160 CA LEU A 14 8.056 -7.942 7.505 1.00 0.00 C ATOM 161 C LEU A 14 6.890 -8.578 8.256 1.00 0.00 C ATOM 162 O LEU A 14 6.623 -8.240 9.409 1.00 0.00 O ATOM 163 CB LEU A 14 9.382 -8.408 8.110 1.00 0.00 C ATOM 164 CG LEU A 14 9.676 -9.905 8.008 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.689 -10.701 8.847 1.00 0.00 C ATOM 166 CD2 LEU A 14 9.635 -10.360 6.557 1.00 0.00 C ATOM 0 H LEU A 14 7.429 -6.117 8.325 1.00 0.00 H new ATOM 0 HA LEU A 14 8.008 -8.258 6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.192 -7.865 7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.397 -8.126 9.163 1.00 0.00 H new ATOM 0 HG LEU A 14 10.679 -10.086 8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.914 -11.764 8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.769 -10.395 9.890 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.676 -10.515 8.491 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.847 -11.428 6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.646 -10.165 6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.383 -9.813 5.983 1.00 0.00 H new ATOM 178 N VAL A 15 6.200 -9.501 7.595 1.00 0.00 N ATOM 179 CA VAL A 15 5.065 -10.187 8.200 1.00 0.00 C ATOM 180 C VAL A 15 4.924 -11.604 7.655 1.00 0.00 C ATOM 181 O VAL A 15 5.761 -12.069 6.881 1.00 0.00 O ATOM 182 CB VAL A 15 3.751 -9.421 7.956 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.798 -8.054 8.621 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.482 -9.289 6.465 1.00 0.00 C ATOM 0 H VAL A 15 6.407 -9.791 6.639 1.00 0.00 H new ATOM 0 HA VAL A 15 5.257 -10.231 9.272 1.00 0.00 H new ATOM 0 HB VAL A 15 2.932 -9.986 8.401 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.861 -7.528 8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.941 -8.176 9.695 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.625 -7.477 8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.550 -8.745 6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.301 -8.746 5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.402 -10.281 6.021 1.00 0.00 H new ATOM 194 N HIS A 16 3.858 -12.285 8.063 1.00 0.00 N ATOM 195 CA HIS A 16 3.606 -13.650 7.615 1.00 0.00 C ATOM 196 C HIS A 16 2.161 -13.811 7.151 1.00 0.00 C ATOM 197 O HIS A 16 1.320 -12.934 7.346 1.00 0.00 O ATOM 198 CB HIS A 16 3.907 -14.643 8.738 1.00 0.00 C ATOM 199 CG HIS A 16 2.684 -15.295 9.305 1.00 0.00 C ATOM 200 ND1 HIS A 16 2.588 -16.653 9.525 1.00 0.00 N ATOM 201 CD2 HIS A 16 1.501 -14.767 9.699 1.00 0.00 C ATOM 202 CE1 HIS A 16 1.399 -16.932 10.029 1.00 0.00 C ATOM 203 NE2 HIS A 16 0.720 -15.805 10.145 1.00 0.00 N ATOM 0 H HIS A 16 3.155 -11.914 8.703 1.00 0.00 H new ATOM 0 HA HIS A 16 4.266 -13.857 6.772 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.578 -15.414 8.360 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.436 -14.125 9.538 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.223 -13.724 9.668 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.043 -17.915 10.300 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.230 -15.719 10.507 1.00 0.00 H new ATOM 212 N PRO A 17 1.866 -14.958 6.522 1.00 0.00 N ATOM 213 CA PRO A 17 0.523 -15.261 6.017 1.00 0.00 C ATOM 214 C PRO A 17 -0.477 -15.506 7.142 1.00 0.00 C ATOM 215 O PRO A 17 -0.562 -16.609 7.680 1.00 0.00 O ATOM 216 CB PRO A 17 0.731 -16.538 5.199 1.00 0.00 C ATOM 217 CG PRO A 17 1.939 -17.176 5.794 1.00 0.00 C ATOM 218 CD PRO A 17 2.819 -16.048 6.254 1.00 0.00 C ATOM 0 HA PRO A 17 0.107 -14.433 5.442 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.136 -17.195 5.263 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.882 -16.312 4.143 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.668 -17.824 6.627 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.453 -17.798 5.061 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.383 -16.317 7.147 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.545 -15.768 5.491 1.00 0.00 H new ATOM 226 N GLY A 18 -1.234 -14.470 7.491 1.00 0.00 N ATOM 227 CA GLY A 18 -2.219 -14.595 8.550 1.00 0.00 C ATOM 228 C GLY A 18 -2.156 -13.447 9.537 1.00 0.00 C ATOM 229 O GLY A 18 -3.048 -13.287 10.371 1.00 0.00 O ATOM 0 H GLY A 18 -1.183 -13.547 7.060 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.216 -14.639 8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.062 -15.535 9.080 1.00 0.00 H new ATOM 233 N ASP A 19 -1.100 -12.646 9.445 1.00 0.00 N ATOM 234 CA ASP A 19 -0.924 -11.507 10.339 1.00 0.00 C ATOM 235 C ASP A 19 -1.697 -10.294 9.830 1.00 0.00 C ATOM 236 O ASP A 19 -2.441 -10.383 8.853 1.00 0.00 O ATOM 237 CB ASP A 19 0.560 -11.162 10.474 1.00 0.00 C ATOM 238 CG ASP A 19 1.226 -11.910 11.612 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.641 -12.904 12.093 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.333 -11.503 12.022 1.00 0.00 O ATOM 0 H ASP A 19 -0.353 -12.764 8.761 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.315 -11.781 11.319 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.071 -11.397 9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.668 -10.089 10.636 1.00 0.00 H new ATOM 245 N LEU A 20 -1.515 -9.161 10.500 1.00 0.00 N ATOM 246 CA LEU A 20 -2.196 -7.928 10.117 1.00 0.00 C ATOM 247 C LEU A 20 -1.205 -6.909 9.563 1.00 0.00 C ATOM 248 O LEU A 20 -0.415 -6.328 10.307 1.00 0.00 O ATOM 249 CB LEU A 20 -2.936 -7.337 11.318 1.00 0.00 C ATOM 250 CG LEU A 20 -3.816 -6.120 11.031 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.999 -6.510 10.158 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.295 -5.490 12.331 1.00 0.00 C ATOM 0 H LEU A 20 -0.902 -9.070 11.310 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.918 -8.167 9.336 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.560 -8.117 11.755 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.200 -7.058 12.072 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.220 -5.384 10.491 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.614 -5.631 9.964 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.636 -6.914 9.213 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.596 -7.265 10.670 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.920 -4.625 12.108 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.874 -6.220 12.897 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.435 -5.173 12.920 1.00 0.00 H new ATOM 264 N LEU A 21 -1.255 -6.695 8.253 1.00 0.00 N ATOM 265 CA LEU A 21 -0.364 -5.743 7.598 1.00 0.00 C ATOM 266 C LEU A 21 -0.877 -4.316 7.762 1.00 0.00 C ATOM 267 O LEU A 21 -1.866 -3.927 7.142 1.00 0.00 O ATOM 268 CB LEU A 21 -0.228 -6.081 6.113 1.00 0.00 C ATOM 269 CG LEU A 21 0.624 -5.121 5.282 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.076 -5.170 5.731 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.511 -5.453 3.801 1.00 0.00 C ATOM 0 H LEU A 21 -1.903 -7.168 7.623 1.00 0.00 H new ATOM 0 HA LEU A 21 0.615 -5.814 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.197 -7.081 6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.226 -6.120 5.677 1.00 0.00 H new ATOM 0 HG LEU A 21 0.251 -4.109 5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.667 -4.480 5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.142 -4.883 6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.461 -6.182 5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.124 -4.760 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.857 -6.472 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.529 -5.365 3.487 1.00 0.00 H new ATOM 283 N GLN A 22 -0.195 -3.541 8.599 1.00 0.00 N ATOM 284 CA GLN A 22 -0.581 -2.156 8.843 1.00 0.00 C ATOM 285 C GLN A 22 0.476 -1.194 8.310 1.00 0.00 C ATOM 286 O GLN A 22 1.668 -1.361 8.569 1.00 0.00 O ATOM 287 CB GLN A 22 -0.795 -1.919 10.339 1.00 0.00 C ATOM 288 CG GLN A 22 -2.220 -2.183 10.799 1.00 0.00 C ATOM 289 CD GLN A 22 -2.571 -1.433 12.069 1.00 0.00 C ATOM 290 OE1 GLN A 22 -1.842 -0.538 12.497 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.694 -1.795 12.679 1.00 0.00 N ATOM 0 H GLN A 22 0.627 -3.848 9.119 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.516 -1.968 8.316 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.116 -2.560 10.901 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.530 -0.889 10.577 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.912 -1.895 10.008 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.352 -3.252 10.964 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.268 -2.542 12.289 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.982 -1.326 13.537 1.00 0.00 H new ATOM 300 N LEU A 23 0.031 -0.189 7.564 1.00 0.00 N ATOM 301 CA LEU A 23 0.939 0.801 6.994 1.00 0.00 C ATOM 302 C LEU A 23 0.517 2.214 7.380 1.00 0.00 C ATOM 303 O LEU A 23 -0.574 2.423 7.912 1.00 0.00 O ATOM 304 CB LEU A 23 0.980 0.666 5.471 1.00 0.00 C ATOM 305 CG LEU A 23 1.516 -0.659 4.928 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.355 -0.721 3.417 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.975 -0.844 5.319 1.00 0.00 C ATOM 0 H LEU A 23 -0.952 -0.038 7.340 1.00 0.00 H new ATOM 0 HA LEU A 23 1.935 0.618 7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.029 0.811 5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.593 1.474 5.071 1.00 0.00 H new ATOM 0 HG LEU A 23 0.937 -1.471 5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.742 -1.671 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.299 -0.635 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.908 0.098 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.340 -1.792 4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.568 -0.027 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.063 -0.845 6.405 1.00 0.00 H new ATOM 319 N ARG A 24 1.386 3.182 7.107 1.00 0.00 N ATOM 320 CA ARG A 24 1.102 4.576 7.425 1.00 0.00 C ATOM 321 C ARG A 24 1.735 5.508 6.396 1.00 0.00 C ATOM 322 O ARG A 24 2.840 5.258 5.912 1.00 0.00 O ATOM 323 CB ARG A 24 1.620 4.918 8.824 1.00 0.00 C ATOM 324 CG ARG A 24 0.965 6.147 9.432 1.00 0.00 C ATOM 325 CD ARG A 24 1.448 6.391 10.853 1.00 0.00 C ATOM 326 NE ARG A 24 0.587 7.326 11.572 1.00 0.00 N ATOM 327 CZ ARG A 24 0.533 8.627 11.308 1.00 0.00 C ATOM 328 NH1 ARG A 24 1.287 9.144 10.348 1.00 0.00 N ATOM 329 NH2 ARG A 24 -0.276 9.413 12.006 1.00 0.00 N ATOM 0 H ARG A 24 2.293 3.026 6.666 1.00 0.00 H new ATOM 0 HA ARG A 24 0.021 4.715 7.400 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.454 4.065 9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.697 5.078 8.774 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.185 7.020 8.817 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.118 6.021 9.431 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.483 5.444 11.391 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.465 6.781 10.828 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.005 6.960 12.318 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.911 8.543 9.810 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.243 10.143 10.148 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.857 9.019 12.746 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.317 10.412 11.803 1.00 0.00 H new ATOM 343 N CYS A 25 1.027 6.582 6.064 1.00 0.00 N ATOM 344 CA CYS A 25 1.517 7.552 5.092 1.00 0.00 C ATOM 345 C CYS A 25 1.757 8.908 5.749 1.00 0.00 C ATOM 346 O CYS A 25 0.821 9.555 6.219 1.00 0.00 O ATOM 347 CB CYS A 25 0.520 7.699 3.941 1.00 0.00 C ATOM 348 SG CYS A 25 0.951 9.006 2.747 1.00 0.00 S ATOM 0 H CYS A 25 0.111 6.803 6.454 1.00 0.00 H new ATOM 0 HA CYS A 25 2.466 7.187 4.698 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.448 6.748 3.413 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.467 7.910 4.354 1.00 0.00 H new ATOM 353 N ARG A 26 3.016 9.331 5.777 1.00 0.00 N ATOM 354 CA ARG A 26 3.379 10.609 6.376 1.00 0.00 C ATOM 355 C ARG A 26 2.616 11.755 5.719 1.00 0.00 C ATOM 356 O ARG A 26 2.852 12.086 4.556 1.00 0.00 O ATOM 357 CB ARG A 26 4.885 10.847 6.249 1.00 0.00 C ATOM 358 CG ARG A 26 5.689 10.300 7.418 1.00 0.00 C ATOM 359 CD ARG A 26 7.178 10.547 7.234 1.00 0.00 C ATOM 360 NE ARG A 26 7.587 11.846 7.761 1.00 0.00 N ATOM 361 CZ ARG A 26 8.799 12.361 7.589 1.00 0.00 C ATOM 362 NH1 ARG A 26 9.717 11.690 6.907 1.00 0.00 N ATOM 363 NH2 ARG A 26 9.095 13.549 8.099 1.00 0.00 N ATOM 0 H ARG A 26 3.802 8.807 5.392 1.00 0.00 H new ATOM 0 HA ARG A 26 3.111 10.575 7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.241 10.386 5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.069 11.918 6.162 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.353 10.769 8.343 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.506 9.230 7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.741 9.759 7.735 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.426 10.491 6.174 1.00 0.00 H new ATOM 0 HE ARG A 26 6.904 12.388 8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.493 10.776 6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.647 12.088 6.776 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.391 14.068 8.624 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.026 13.943 7.966 1.00 0.00 H new ATOM 477 N SER A 33 -5.225 15.297 -0.038 1.00 0.00 N ATOM 478 CA SER A 33 -5.673 13.946 -0.355 1.00 0.00 C ATOM 479 C SER A 33 -4.510 12.960 -0.301 1.00 0.00 C ATOM 480 O SER A 33 -3.370 13.344 -0.038 1.00 0.00 O ATOM 481 CB SER A 33 -6.320 13.913 -1.742 1.00 0.00 C ATOM 482 OG SER A 33 -7.301 12.894 -1.823 1.00 0.00 O ATOM 0 HA SER A 33 -6.411 13.651 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.776 14.879 -1.957 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.555 13.746 -2.500 1.00 0.00 H new ATOM 0 HG SER A 33 -7.700 12.895 -2.718 1.00 0.00 H new ATOM 488 N ILE A 34 -4.807 11.690 -0.551 1.00 0.00 N ATOM 489 CA ILE A 34 -3.786 10.649 -0.532 1.00 0.00 C ATOM 490 C ILE A 34 -4.047 9.604 -1.611 1.00 0.00 C ATOM 491 O ILE A 34 -5.189 9.216 -1.851 1.00 0.00 O ATOM 492 CB ILE A 34 -3.721 9.950 0.839 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.798 10.982 1.966 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.447 9.127 0.954 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.151 10.384 3.310 1.00 0.00 C ATOM 0 H ILE A 34 -5.746 11.356 -0.769 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.832 11.139 -0.727 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.574 9.278 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.839 11.493 2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.541 11.736 1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.416 8.639 1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.430 8.371 0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.581 9.780 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.188 11.173 4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.124 9.897 3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.396 9.650 3.591 1.00 0.00 H new ATOM 507 N ASN A 35 -2.978 9.149 -2.257 1.00 0.00 N ATOM 508 CA ASN A 35 -3.090 8.147 -3.310 1.00 0.00 C ATOM 509 C ASN A 35 -2.218 6.934 -3.002 1.00 0.00 C ATOM 510 O ASN A 35 -0.993 6.995 -3.109 1.00 0.00 O ATOM 511 CB ASN A 35 -2.691 8.747 -4.659 1.00 0.00 C ATOM 512 CG ASN A 35 -3.423 8.101 -5.820 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.603 7.765 -5.714 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.725 7.924 -6.935 1.00 0.00 N ATOM 0 H ASN A 35 -2.024 9.459 -2.069 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.129 7.822 -3.358 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.898 9.817 -4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.617 8.631 -4.801 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.164 7.494 -7.749 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.749 8.218 -6.978 1.00 0.00 H new ATOM 521 N TRP A 36 -2.857 5.834 -2.621 1.00 0.00 N ATOM 522 CA TRP A 36 -2.139 4.606 -2.298 1.00 0.00 C ATOM 523 C TRP A 36 -1.777 3.838 -3.564 1.00 0.00 C ATOM 524 O TRP A 36 -2.604 3.677 -4.463 1.00 0.00 O ATOM 525 CB TRP A 36 -2.983 3.725 -1.376 1.00 0.00 C ATOM 526 CG TRP A 36 -2.895 4.119 0.067 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.835 4.795 0.791 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.806 3.862 0.961 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.396 4.975 2.081 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.155 4.410 2.211 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.572 3.220 0.828 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.312 4.336 3.317 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.263 3.148 1.926 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.110 3.703 3.158 1.00 0.00 C ATOM 0 H TRP A 36 -3.871 5.767 -2.528 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.217 4.878 -1.785 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.024 3.771 -1.695 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.663 2.689 -1.482 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.784 5.138 0.406 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.911 5.452 2.821 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.276 2.788 -0.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.597 4.763 4.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.220 2.656 1.834 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.565 3.629 3.998 1.00 0.00 H new ATOM 545 N LEU A 37 -0.537 3.366 -3.630 1.00 0.00 N ATOM 546 CA LEU A 37 -0.065 2.613 -4.788 1.00 0.00 C ATOM 547 C LEU A 37 0.676 1.353 -4.353 1.00 0.00 C ATOM 548 O LEU A 37 1.100 1.236 -3.203 1.00 0.00 O ATOM 549 CB LEU A 37 0.850 3.486 -5.649 1.00 0.00 C ATOM 550 CG LEU A 37 0.193 4.696 -6.314 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.202 5.819 -6.495 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.417 4.304 -7.651 1.00 0.00 C ATOM 0 H LEU A 37 0.160 3.491 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.933 2.316 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.672 3.840 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.287 2.861 -6.428 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.606 5.054 -5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.716 6.672 -6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.591 6.119 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.023 5.473 -7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.880 5.178 -8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.363 3.920 -8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.172 3.533 -7.495 1.00 0.00 H new ATOM 564 N ARG A 38 0.830 0.414 -5.281 1.00 0.00 N ATOM 565 CA ARG A 38 1.521 -0.837 -4.994 1.00 0.00 C ATOM 566 C ARG A 38 2.163 -1.406 -6.256 1.00 0.00 C ATOM 567 O ARG A 38 1.470 -1.796 -7.195 1.00 0.00 O ATOM 568 CB ARG A 38 0.548 -1.857 -4.400 1.00 0.00 C ATOM 569 CG ARG A 38 1.211 -3.160 -3.983 1.00 0.00 C ATOM 570 CD ARG A 38 0.352 -3.929 -2.991 1.00 0.00 C ATOM 571 NE ARG A 38 -0.650 -4.754 -3.660 1.00 0.00 N ATOM 572 CZ ARG A 38 -1.635 -5.376 -3.022 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.749 -5.267 -1.705 1.00 0.00 N ATOM 574 NH2 ARG A 38 -2.509 -6.109 -3.700 1.00 0.00 N ATOM 0 H ARG A 38 0.486 0.496 -6.238 1.00 0.00 H new ATOM 0 HA ARG A 38 2.308 -0.630 -4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.057 -1.416 -3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.230 -2.073 -5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.391 -3.776 -4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.183 -2.949 -3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.989 -4.562 -2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.145 -3.227 -2.321 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.590 -4.858 -4.673 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.079 -4.705 -1.180 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.506 -5.746 -1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.425 -6.196 -4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.265 -6.586 -3.208 1.00 0.00 H new ATOM 588 N ASP A 39 3.491 -1.448 -6.271 1.00 0.00 N ATOM 589 CA ASP A 39 4.227 -1.969 -7.417 1.00 0.00 C ATOM 590 C ASP A 39 3.978 -1.115 -8.656 1.00 0.00 C ATOM 591 O ASP A 39 4.086 -1.593 -9.784 1.00 0.00 O ATOM 592 CB ASP A 39 3.824 -3.419 -7.692 1.00 0.00 C ATOM 593 CG ASP A 39 4.949 -4.224 -8.311 1.00 0.00 C ATOM 594 OD1 ASP A 39 5.316 -3.938 -9.470 1.00 0.00 O ATOM 595 OD2 ASP A 39 5.463 -5.142 -7.637 1.00 0.00 O ATOM 0 H ASP A 39 4.080 -1.127 -5.502 1.00 0.00 H new ATOM 0 HA ASP A 39 5.291 -1.934 -7.182 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.514 -3.890 -6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.961 -3.433 -8.358 1.00 0.00 H new ATOM 600 N GLY A 40 3.643 0.153 -8.437 1.00 0.00 N ATOM 601 CA GLY A 40 3.383 1.054 -9.546 1.00 0.00 C ATOM 602 C GLY A 40 1.960 0.949 -10.056 1.00 0.00 C ATOM 603 O GLY A 40 1.725 0.923 -11.264 1.00 0.00 O ATOM 0 H GLY A 40 3.547 0.573 -7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.578 2.079 -9.231 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.074 0.833 -10.359 1.00 0.00 H new ATOM 607 N VAL A 41 1.005 0.887 -9.133 1.00 0.00 N ATOM 608 CA VAL A 41 -0.404 0.784 -9.495 1.00 0.00 C ATOM 609 C VAL A 41 -1.301 1.205 -8.337 1.00 0.00 C ATOM 610 O VAL A 41 -0.950 1.029 -7.171 1.00 0.00 O ATOM 611 CB VAL A 41 -0.770 -0.650 -9.920 1.00 0.00 C ATOM 612 CG1 VAL A 41 -1.174 -1.479 -8.709 1.00 0.00 C ATOM 613 CG2 VAL A 41 -1.882 -0.631 -10.957 1.00 0.00 C ATOM 0 H VAL A 41 1.182 0.906 -8.129 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.565 1.457 -10.337 1.00 0.00 H new ATOM 0 HB VAL A 41 0.108 -1.112 -10.371 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.429 -2.489 -9.028 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.344 -1.520 -8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.038 -1.022 -8.227 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.128 -1.653 -11.246 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.765 -0.151 -10.535 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.552 -0.075 -11.835 1.00 0.00 H new ATOM 623 N GLN A 42 -2.462 1.762 -8.668 1.00 0.00 N ATOM 624 CA GLN A 42 -3.411 2.208 -7.654 1.00 0.00 C ATOM 625 C GLN A 42 -3.823 1.053 -6.748 1.00 0.00 C ATOM 626 O GLN A 42 -4.274 0.009 -7.221 1.00 0.00 O ATOM 627 CB GLN A 42 -4.647 2.818 -8.317 1.00 0.00 C ATOM 628 CG GLN A 42 -5.712 3.261 -7.326 1.00 0.00 C ATOM 629 CD GLN A 42 -5.528 4.697 -6.874 1.00 0.00 C ATOM 630 OE1 GLN A 42 -6.279 5.587 -7.274 1.00 0.00 O ATOM 631 NE2 GLN A 42 -4.525 4.930 -6.036 1.00 0.00 N ATOM 0 H GLN A 42 -2.768 1.915 -9.629 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.922 2.967 -7.043 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.342 3.675 -8.917 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.080 2.088 -9.001 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.696 3.151 -7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.689 2.605 -6.456 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.927 4.162 -5.730 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.352 5.877 -5.698 1.00 0.00 H new ATOM 640 N LEU A 43 -3.665 1.245 -5.443 1.00 0.00 N ATOM 641 CA LEU A 43 -4.020 0.219 -4.470 1.00 0.00 C ATOM 642 C LEU A 43 -5.532 0.152 -4.276 1.00 0.00 C ATOM 643 O LEU A 43 -6.238 1.139 -4.479 1.00 0.00 O ATOM 644 CB LEU A 43 -3.336 0.499 -3.131 1.00 0.00 C ATOM 645 CG LEU A 43 -3.495 -0.578 -2.057 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.828 -1.872 -2.495 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.918 -0.099 -0.732 1.00 0.00 C ATOM 0 H LEU A 43 -3.293 2.102 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.678 -0.743 -4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.272 0.647 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.725 1.437 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.559 -0.772 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.952 -2.626 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.288 -2.224 -3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.766 -1.695 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.040 -0.878 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.858 0.123 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.442 0.801 -0.411 1.00 0.00 H new ATOM 659 N ALA A 44 -6.021 -1.019 -3.881 1.00 0.00 N ATOM 660 CA ALA A 44 -7.448 -1.214 -3.656 1.00 0.00 C ATOM 661 C ALA A 44 -7.705 -1.896 -2.317 1.00 0.00 C ATOM 662 O ALA A 44 -6.818 -2.542 -1.760 1.00 0.00 O ATOM 663 CB ALA A 44 -8.055 -2.027 -4.790 1.00 0.00 C ATOM 0 H ALA A 44 -5.450 -1.847 -3.710 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.924 -0.234 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.121 -2.165 -4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.913 -1.499 -5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.567 -3.000 -4.842 1.00 0.00 H new ATOM 669 N GLU A 45 -8.923 -1.747 -1.806 1.00 0.00 N ATOM 670 CA GLU A 45 -9.294 -2.349 -0.530 1.00 0.00 C ATOM 671 C GLU A 45 -10.152 -3.592 -0.745 1.00 0.00 C ATOM 672 O GLU A 45 -10.716 -3.793 -1.820 1.00 0.00 O ATOM 673 CB GLU A 45 -10.049 -1.338 0.335 1.00 0.00 C ATOM 674 CG GLU A 45 -9.603 0.099 0.122 1.00 0.00 C ATOM 675 CD GLU A 45 -10.634 1.106 0.593 1.00 0.00 C ATOM 676 OE1 GLU A 45 -11.779 0.695 0.876 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.296 2.305 0.679 1.00 0.00 O ATOM 0 H GLU A 45 -9.669 -1.215 -2.255 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.379 -2.644 -0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.115 -1.414 0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.915 -1.599 1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.667 0.267 0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.401 0.260 -0.937 1.00 0.00 H new ATOM 684 N SER A 46 -10.246 -4.425 0.287 1.00 0.00 N ATOM 685 CA SER A 46 -11.031 -5.651 0.212 1.00 0.00 C ATOM 686 C SER A 46 -11.382 -6.158 1.607 1.00 0.00 C ATOM 687 O SER A 46 -11.069 -5.518 2.609 1.00 0.00 O ATOM 688 CB SER A 46 -10.262 -6.728 -0.556 1.00 0.00 C ATOM 689 OG SER A 46 -11.096 -7.833 -0.858 1.00 0.00 O ATOM 0 H SER A 46 -9.788 -4.273 1.185 1.00 0.00 H new ATOM 0 HA SER A 46 -11.957 -5.428 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.863 -6.306 -1.479 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.410 -7.063 0.036 1.00 0.00 H new ATOM 0 HG SER A 46 -11.994 -7.513 -1.086 1.00 0.00 H new ATOM 695 N ASN A 47 -12.036 -7.314 1.662 1.00 0.00 N ATOM 696 CA ASN A 47 -12.432 -7.908 2.934 1.00 0.00 C ATOM 697 C ASN A 47 -11.288 -7.846 3.942 1.00 0.00 C ATOM 698 O ASN A 47 -11.509 -7.624 5.133 1.00 0.00 O ATOM 699 CB ASN A 47 -12.866 -9.361 2.729 1.00 0.00 C ATOM 700 CG ASN A 47 -14.161 -9.472 1.948 1.00 0.00 C ATOM 701 OD1 ASN A 47 -15.109 -8.722 2.185 1.00 0.00 O ATOM 702 ND2 ASN A 47 -14.208 -10.411 1.009 1.00 0.00 N ATOM 0 H ASN A 47 -12.303 -7.858 0.841 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.272 -7.336 3.328 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.080 -9.901 2.202 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.988 -9.842 3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -15.053 -10.532 0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -13.399 -11.010 0.846 1.00 0.00 H new ATOM 709 N ARG A 48 -10.067 -8.042 3.457 1.00 0.00 N ATOM 710 CA ARG A 48 -8.889 -8.009 4.315 1.00 0.00 C ATOM 711 C ARG A 48 -8.232 -6.632 4.283 1.00 0.00 C ATOM 712 O ARG A 48 -7.991 -6.022 5.326 1.00 0.00 O ATOM 713 CB ARG A 48 -7.883 -9.076 3.879 1.00 0.00 C ATOM 714 CG ARG A 48 -8.371 -10.498 4.100 1.00 0.00 C ATOM 715 CD ARG A 48 -7.411 -11.515 3.502 1.00 0.00 C ATOM 716 NE ARG A 48 -7.286 -11.365 2.055 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.517 -12.141 1.299 1.00 0.00 C ATOM 718 NH1 ARG A 48 -5.809 -13.117 1.851 1.00 0.00 N ATOM 719 NH2 ARG A 48 -6.456 -11.942 -0.011 1.00 0.00 N ATOM 0 H ARG A 48 -9.867 -8.225 2.474 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.209 -8.217 5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.656 -8.939 2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.952 -8.931 4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.481 -10.684 5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.357 -10.619 3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.430 -11.403 3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.759 -12.522 3.733 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.818 -10.624 1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.854 -13.273 2.858 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.219 -13.712 1.269 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.000 -11.193 -0.439 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.865 -12.538 -0.590 1.00 0.00 H new ATOM 733 N THR A 49 -7.944 -6.147 3.079 1.00 0.00 N ATOM 734 CA THR A 49 -7.314 -4.844 2.911 1.00 0.00 C ATOM 735 C THR A 49 -8.262 -3.719 3.308 1.00 0.00 C ATOM 736 O THR A 49 -9.456 -3.767 3.012 1.00 0.00 O ATOM 737 CB THR A 49 -6.856 -4.625 1.457 1.00 0.00 C ATOM 738 OG1 THR A 49 -6.141 -5.774 0.990 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.972 -3.392 1.347 1.00 0.00 C ATOM 0 H THR A 49 -8.137 -6.638 2.206 1.00 0.00 H new ATOM 0 HA THR A 49 -6.442 -4.828 3.565 1.00 0.00 H new ATOM 0 HB THR A 49 -7.742 -4.473 0.840 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.855 -5.627 0.064 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.661 -3.258 0.311 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.529 -2.514 1.675 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.091 -3.518 1.976 1.00 0.00 H new ATOM 747 N ARG A 50 -7.724 -2.706 3.980 1.00 0.00 N ATOM 748 CA ARG A 50 -8.523 -1.569 4.419 1.00 0.00 C ATOM 749 C ARG A 50 -7.718 -0.275 4.339 1.00 0.00 C ATOM 750 O ARG A 50 -6.744 -0.093 5.070 1.00 0.00 O ATOM 751 CB ARG A 50 -9.018 -1.787 5.850 1.00 0.00 C ATOM 752 CG ARG A 50 -9.392 -0.501 6.567 1.00 0.00 C ATOM 753 CD ARG A 50 -10.335 0.350 5.730 1.00 0.00 C ATOM 754 NE ARG A 50 -11.735 0.108 6.066 1.00 0.00 N ATOM 755 CZ ARG A 50 -12.749 0.434 5.272 1.00 0.00 C ATOM 756 NH1 ARG A 50 -12.518 1.012 4.101 1.00 0.00 N ATOM 757 NH2 ARG A 50 -13.996 0.181 5.648 1.00 0.00 N ATOM 0 H ARG A 50 -6.737 -2.650 4.232 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.383 -1.484 3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.885 -2.447 5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.242 -2.298 6.420 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.864 -0.739 7.520 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.489 0.067 6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.103 1.404 5.882 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.174 0.137 4.673 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.946 -0.336 6.960 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.560 1.207 3.809 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.298 1.262 3.493 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.177 -0.264 6.548 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.774 0.432 5.037 1.00 0.00 H new ATOM 771 N ILE A 51 -8.131 0.619 3.447 1.00 0.00 N ATOM 772 CA ILE A 51 -7.448 1.895 3.272 1.00 0.00 C ATOM 773 C ILE A 51 -8.254 3.037 3.881 1.00 0.00 C ATOM 774 O ILE A 51 -9.312 3.408 3.370 1.00 0.00 O ATOM 775 CB ILE A 51 -7.193 2.198 1.784 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.411 1.054 1.135 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.442 3.513 1.633 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.417 1.100 -0.377 1.00 0.00 C ATOM 0 H ILE A 51 -8.935 0.483 2.834 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.491 1.814 3.787 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.153 2.290 1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.380 1.084 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.833 0.104 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.269 3.714 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.033 4.321 2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.485 3.447 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.844 0.260 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.443 1.039 -0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.968 2.034 -0.714 1.00 0.00 H new ATOM 790 N THR A 52 -7.747 3.594 4.977 1.00 0.00 N ATOM 791 CA THR A 52 -8.418 4.695 5.656 1.00 0.00 C ATOM 792 C THR A 52 -7.936 6.042 5.129 1.00 0.00 C ATOM 793 O THR A 52 -8.284 7.091 5.669 1.00 0.00 O ATOM 794 CB THR A 52 -8.189 4.640 7.178 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.788 4.699 7.465 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.780 3.368 7.768 1.00 0.00 C ATOM 0 H THR A 52 -6.873 3.300 5.413 1.00 0.00 H new ATOM 0 HA THR A 52 -9.484 4.589 5.453 1.00 0.00 H new ATOM 0 HB THR A 52 -8.688 5.497 7.630 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.344 3.908 7.094 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.606 3.351 8.844 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.852 3.340 7.573 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.306 2.500 7.310 1.00 0.00 H new ATOM 804 N GLY A 53 -7.132 6.005 4.071 1.00 0.00 N ATOM 805 CA GLY A 53 -6.615 7.230 3.489 1.00 0.00 C ATOM 806 C GLY A 53 -5.112 7.352 3.635 1.00 0.00 C ATOM 807 O GLY A 53 -4.395 7.495 2.645 1.00 0.00 O ATOM 0 H GLY A 53 -6.829 5.149 3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.878 7.266 2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.094 8.085 3.966 1.00 0.00 H new ATOM 811 N GLU A 54 -4.633 7.296 4.874 1.00 0.00 N ATOM 812 CA GLU A 54 -3.204 7.405 5.145 1.00 0.00 C ATOM 813 C GLU A 54 -2.698 6.176 5.896 1.00 0.00 C ATOM 814 O GLU A 54 -1.505 6.051 6.169 1.00 0.00 O ATOM 815 CB GLU A 54 -2.911 8.668 5.957 1.00 0.00 C ATOM 816 CG GLU A 54 -2.965 8.452 7.460 1.00 0.00 C ATOM 817 CD GLU A 54 -3.269 9.727 8.223 1.00 0.00 C ATOM 818 OE1 GLU A 54 -4.457 10.100 8.306 1.00 0.00 O ATOM 819 OE2 GLU A 54 -2.317 10.352 8.736 1.00 0.00 O ATOM 0 H GLU A 54 -5.213 7.176 5.705 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.683 7.467 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.923 9.042 5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.630 9.440 5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.726 7.706 7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.011 8.049 7.800 1.00 0.00 H new ATOM 826 N GLU A 55 -3.616 5.272 6.226 1.00 0.00 N ATOM 827 CA GLU A 55 -3.263 4.054 6.946 1.00 0.00 C ATOM 828 C GLU A 55 -3.937 2.837 6.319 1.00 0.00 C ATOM 829 O GLU A 55 -5.161 2.783 6.203 1.00 0.00 O ATOM 830 CB GLU A 55 -3.663 4.171 8.418 1.00 0.00 C ATOM 831 CG GLU A 55 -2.591 4.800 9.292 1.00 0.00 C ATOM 832 CD GLU A 55 -2.969 4.812 10.761 1.00 0.00 C ATOM 833 OE1 GLU A 55 -2.919 3.738 11.396 1.00 0.00 O ATOM 834 OE2 GLU A 55 -3.315 5.896 11.275 1.00 0.00 O ATOM 0 H GLU A 55 -4.608 5.360 6.006 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.183 3.924 6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.574 4.764 8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.897 3.178 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.657 4.253 9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.409 5.822 8.959 1.00 0.00 H new ATOM 841 N VAL A 56 -3.128 1.862 5.916 1.00 0.00 N ATOM 842 CA VAL A 56 -3.645 0.645 5.302 1.00 0.00 C ATOM 843 C VAL A 56 -3.637 -0.516 6.290 1.00 0.00 C ATOM 844 O VAL A 56 -2.764 -0.603 7.152 1.00 0.00 O ATOM 845 CB VAL A 56 -2.826 0.252 4.058 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.293 -1.088 3.512 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.923 1.334 2.993 1.00 0.00 C ATOM 0 H VAL A 56 -2.112 1.891 6.004 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.671 0.854 5.001 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.780 0.153 4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.703 -1.349 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.166 -1.856 4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.345 -1.021 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.339 1.040 2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.965 1.467 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.535 2.272 3.391 1.00 0.00 H new ATOM 857 N GLU A 57 -4.615 -1.406 6.157 1.00 0.00 N ATOM 858 CA GLU A 57 -4.720 -2.562 7.039 1.00 0.00 C ATOM 859 C GLU A 57 -5.238 -3.781 6.280 1.00 0.00 C ATOM 860 O GLU A 57 -6.351 -3.771 5.753 1.00 0.00 O ATOM 861 CB GLU A 57 -5.645 -2.250 8.218 1.00 0.00 C ATOM 862 CG GLU A 57 -5.864 -3.431 9.149 1.00 0.00 C ATOM 863 CD GLU A 57 -6.937 -3.165 10.186 1.00 0.00 C ATOM 864 OE1 GLU A 57 -6.841 -2.138 10.890 1.00 0.00 O ATOM 865 OE2 GLU A 57 -7.874 -3.984 10.294 1.00 0.00 O ATOM 0 H GLU A 57 -5.345 -1.349 5.447 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.724 -2.789 7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.226 -1.421 8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.609 -1.917 7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.141 -4.306 8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.928 -3.670 9.653 1.00 0.00 H new ATOM 872 N VAL A 58 -4.423 -4.829 6.229 1.00 0.00 N ATOM 873 CA VAL A 58 -4.798 -6.056 5.536 1.00 0.00 C ATOM 874 C VAL A 58 -4.808 -7.245 6.489 1.00 0.00 C ATOM 875 O VAL A 58 -3.756 -7.712 6.924 1.00 0.00 O ATOM 876 CB VAL A 58 -3.840 -6.356 4.368 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.393 -7.475 3.498 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.595 -5.101 3.544 1.00 0.00 C ATOM 0 H VAL A 58 -3.499 -4.853 6.659 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.803 -5.902 5.142 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.886 -6.685 4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.703 -7.673 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.512 -8.377 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.361 -7.177 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.916 -5.332 2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.541 -4.740 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.152 -4.331 4.176 1.00 0.00 H new ATOM 888 N GLN A 59 -6.003 -7.731 6.810 1.00 0.00 N ATOM 889 CA GLN A 59 -6.149 -8.866 7.712 1.00 0.00 C ATOM 890 C GLN A 59 -5.717 -10.161 7.032 1.00 0.00 C ATOM 891 O GLN A 59 -5.957 -10.358 5.841 1.00 0.00 O ATOM 892 CB GLN A 59 -7.599 -8.984 8.187 1.00 0.00 C ATOM 893 CG GLN A 59 -8.081 -7.777 8.976 1.00 0.00 C ATOM 894 CD GLN A 59 -9.422 -8.013 9.642 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.544 -8.846 10.540 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.438 -7.278 9.204 1.00 0.00 N ATOM 0 H GLN A 59 -6.884 -7.356 6.458 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.504 -8.698 8.575 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.246 -9.124 7.321 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.698 -9.876 8.806 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.341 -7.526 9.736 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.157 -6.918 8.309 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.292 -6.599 8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.365 -7.393 9.615 1.00 0.00 H new ATOM 905 N ASP A 60 -5.080 -11.041 7.797 1.00 0.00 N ATOM 906 CA ASP A 60 -4.615 -12.318 7.268 1.00 0.00 C ATOM 907 C ASP A 60 -3.753 -12.111 6.027 1.00 0.00 C ATOM 908 O ASP A 60 -3.910 -12.810 5.026 1.00 0.00 O ATOM 909 CB ASP A 60 -5.804 -13.219 6.934 1.00 0.00 C ATOM 910 CG ASP A 60 -5.457 -14.692 7.021 1.00 0.00 C ATOM 911 OD1 ASP A 60 -4.631 -15.155 6.207 1.00 0.00 O ATOM 912 OD2 ASP A 60 -6.012 -15.382 7.901 1.00 0.00 O ATOM 0 H ASP A 60 -4.874 -10.893 8.785 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.007 -12.801 8.034 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.624 -13.001 7.618 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.158 -12.991 5.929 1.00 0.00 H new ATOM 917 N SER A 61 -2.842 -11.145 6.099 1.00 0.00 N ATOM 918 CA SER A 61 -1.959 -10.842 4.979 1.00 0.00 C ATOM 919 C SER A 61 -1.450 -12.124 4.326 1.00 0.00 C ATOM 920 O SER A 61 -1.558 -13.210 4.897 1.00 0.00 O ATOM 921 CB SER A 61 -0.777 -9.993 5.450 1.00 0.00 C ATOM 922 OG SER A 61 0.180 -10.784 6.133 1.00 0.00 O ATOM 0 H SER A 61 -2.696 -10.559 6.921 1.00 0.00 H new ATOM 0 HA SER A 61 -2.530 -10.280 4.240 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.308 -9.509 4.593 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.134 -9.200 6.108 1.00 0.00 H new ATOM 0 HG SER A 61 0.926 -10.218 6.422 1.00 0.00 H new ATOM 928 N VAL A 62 -0.896 -11.990 3.125 1.00 0.00 N ATOM 929 CA VAL A 62 -0.370 -13.136 2.394 1.00 0.00 C ATOM 930 C VAL A 62 0.865 -12.752 1.586 1.00 0.00 C ATOM 931 O VAL A 62 1.116 -11.579 1.309 1.00 0.00 O ATOM 932 CB VAL A 62 -1.427 -13.729 1.444 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.228 -14.814 2.148 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.344 -12.635 0.918 1.00 0.00 C ATOM 0 H VAL A 62 -0.800 -11.099 2.638 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.097 -13.887 3.136 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.915 -14.181 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.970 -15.222 1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.557 -15.610 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.732 -14.389 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.085 -13.072 0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.850 -12.152 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.755 -11.896 0.375 1.00 0.00 H new ATOM 944 N PRO A 63 1.655 -13.763 1.197 1.00 0.00 N ATOM 945 CA PRO A 63 2.877 -13.557 0.413 1.00 0.00 C ATOM 946 C PRO A 63 2.582 -13.109 -1.014 1.00 0.00 C ATOM 947 O PRO A 63 3.494 -12.942 -1.823 1.00 0.00 O ATOM 948 CB PRO A 63 3.536 -14.938 0.415 1.00 0.00 C ATOM 949 CG PRO A 63 2.412 -15.895 0.614 1.00 0.00 C ATOM 950 CD PRO A 63 1.416 -15.186 1.491 1.00 0.00 C ATOM 0 HA PRO A 63 3.503 -12.770 0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.057 -15.129 -0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.274 -15.023 1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.964 -16.174 -0.339 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.761 -16.815 1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.393 -15.479 1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.577 -15.411 2.545 1.00 0.00 H new ATOM 958 N ALA A 64 1.302 -12.915 -1.316 1.00 0.00 N ATOM 959 CA ALA A 64 0.888 -12.484 -2.645 1.00 0.00 C ATOM 960 C ALA A 64 0.513 -11.006 -2.650 1.00 0.00 C ATOM 961 O ALA A 64 0.447 -10.376 -3.706 1.00 0.00 O ATOM 962 CB ALA A 64 -0.280 -13.328 -3.134 1.00 0.00 C ATOM 0 H ALA A 64 0.534 -13.050 -0.658 1.00 0.00 H new ATOM 0 HA ALA A 64 1.730 -12.621 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.579 -12.995 -4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.021 -14.375 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.120 -13.220 -2.448 1.00 0.00 H new ATOM 968 N ASP A 65 0.267 -10.458 -1.465 1.00 0.00 N ATOM 969 CA ASP A 65 -0.101 -9.054 -1.333 1.00 0.00 C ATOM 970 C ASP A 65 1.138 -8.181 -1.159 1.00 0.00 C ATOM 971 O ASP A 65 1.107 -6.981 -1.431 1.00 0.00 O ATOM 972 CB ASP A 65 -1.046 -8.861 -0.146 1.00 0.00 C ATOM 973 CG ASP A 65 -2.353 -9.611 -0.319 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.748 -9.853 -1.478 1.00 0.00 O ATOM 975 OD2 ASP A 65 -2.979 -9.955 0.706 1.00 0.00 O ATOM 0 H ASP A 65 0.316 -10.966 -0.582 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.612 -8.751 -2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.554 -9.200 0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.254 -7.798 -0.020 1.00 0.00 H new ATOM 980 N SER A 66 2.227 -8.792 -0.704 1.00 0.00 N ATOM 981 CA SER A 66 3.475 -8.070 -0.489 1.00 0.00 C ATOM 982 C SER A 66 3.830 -7.224 -1.708 1.00 0.00 C ATOM 983 O SER A 66 3.155 -7.280 -2.735 1.00 0.00 O ATOM 984 CB SER A 66 4.610 -9.050 -0.187 1.00 0.00 C ATOM 985 OG SER A 66 4.154 -10.129 0.611 1.00 0.00 O ATOM 0 H SER A 66 2.270 -9.786 -0.477 1.00 0.00 H new ATOM 0 HA SER A 66 3.340 -7.407 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.022 -9.433 -1.121 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.417 -8.529 0.328 1.00 0.00 H new ATOM 0 HG SER A 66 4.679 -10.931 0.408 1.00 0.00 H new ATOM 991 N GLY A 67 4.897 -6.440 -1.586 1.00 0.00 N ATOM 992 CA GLY A 67 5.324 -5.592 -2.684 1.00 0.00 C ATOM 993 C GLY A 67 5.895 -4.271 -2.209 1.00 0.00 C ATOM 994 O GLY A 67 6.428 -4.178 -1.102 1.00 0.00 O ATOM 0 H GLY A 67 5.473 -6.377 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.075 -6.118 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.477 -5.402 -3.343 1.00 0.00 H new ATOM 998 N LEU A 68 5.787 -3.246 -3.047 1.00 0.00 N ATOM 999 CA LEU A 68 6.298 -1.923 -2.707 1.00 0.00 C ATOM 1000 C LEU A 68 5.182 -0.883 -2.740 1.00 0.00 C ATOM 1001 O LEU A 68 4.841 -0.357 -3.799 1.00 0.00 O ATOM 1002 CB LEU A 68 7.413 -1.521 -3.674 1.00 0.00 C ATOM 1003 CG LEU A 68 8.077 -0.170 -3.409 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.889 -0.217 -2.123 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.958 0.231 -4.583 1.00 0.00 C ATOM 0 H LEU A 68 5.350 -3.306 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 68 6.701 -1.966 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.183 -2.292 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.004 -1.510 -4.684 1.00 0.00 H new ATOM 0 HG LEU A 68 7.295 0.581 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.354 0.754 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.233 -0.458 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.663 -0.980 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.422 1.195 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.733 -0.521 -4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.350 0.307 -5.485 1.00 0.00 H new ATOM 1017 N TYR A 69 4.619 -0.590 -1.573 1.00 0.00 N ATOM 1018 CA TYR A 69 3.542 0.386 -1.468 1.00 0.00 C ATOM 1019 C TYR A 69 4.088 1.809 -1.534 1.00 0.00 C ATOM 1020 O TYR A 69 5.150 2.105 -0.987 1.00 0.00 O ATOM 1021 CB TYR A 69 2.769 0.186 -0.163 1.00 0.00 C ATOM 1022 CG TYR A 69 2.078 -1.156 -0.068 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.804 -2.318 0.163 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.700 -1.262 -0.210 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.177 -3.546 0.249 1.00 0.00 C ATOM 1026 CE2 TYR A 69 0.065 -2.486 -0.124 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.808 -3.625 0.106 1.00 0.00 C ATOM 1028 OH TYR A 69 0.180 -4.847 0.192 1.00 0.00 O ATOM 0 H TYR A 69 4.891 -1.015 -0.686 1.00 0.00 H new ATOM 0 HA TYR A 69 2.867 0.235 -2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.456 0.292 0.676 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.024 0.976 -0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.876 -2.260 0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.115 -0.372 -0.391 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.756 -4.440 0.427 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.007 -2.551 -0.236 1.00 0.00 H new ATOM 0 HH TYR A 69 0.607 -5.479 -0.423 1.00 0.00 H new ATOM 1038 N ALA A 70 3.353 2.687 -2.209 1.00 0.00 N ATOM 1039 CA ALA A 70 3.761 4.080 -2.346 1.00 0.00 C ATOM 1040 C ALA A 70 2.567 5.018 -2.207 1.00 0.00 C ATOM 1041 O ALA A 70 1.653 5.003 -3.032 1.00 0.00 O ATOM 1042 CB ALA A 70 4.453 4.298 -3.684 1.00 0.00 C ATOM 0 H ALA A 70 2.472 2.458 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 70 4.464 4.308 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.752 5.342 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.335 3.661 -3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.767 4.047 -4.493 1.00 0.00 H new ATOM 1048 N CYS A 71 2.580 5.833 -1.158 1.00 0.00 N ATOM 1049 CA CYS A 71 1.497 6.777 -0.909 1.00 0.00 C ATOM 1050 C CYS A 71 1.848 8.161 -1.450 1.00 0.00 C ATOM 1051 O CYS A 71 2.904 8.711 -1.139 1.00 0.00 O ATOM 1052 CB CYS A 71 1.201 6.863 0.589 1.00 0.00 C ATOM 1053 SG CYS A 71 2.255 8.047 1.489 1.00 0.00 S ATOM 0 H CYS A 71 3.329 5.859 -0.466 1.00 0.00 H new ATOM 0 HA CYS A 71 0.608 6.417 -1.427 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.157 7.145 0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.325 5.874 1.030 1.00 0.00 H new ATOM 1058 N VAL A 72 0.953 8.718 -2.260 1.00 0.00 N ATOM 1059 CA VAL A 72 1.167 10.037 -2.843 1.00 0.00 C ATOM 1060 C VAL A 72 0.102 11.023 -2.376 1.00 0.00 C ATOM 1061 O VAL A 72 -1.086 10.846 -2.646 1.00 0.00 O ATOM 1062 CB VAL A 72 1.156 9.979 -4.382 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.619 11.303 -4.970 1.00 0.00 C ATOM 1064 CG2 VAL A 72 2.026 8.833 -4.877 1.00 0.00 C ATOM 0 H VAL A 72 0.073 8.276 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 72 2.146 10.377 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 72 0.134 9.800 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.605 11.243 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.952 12.100 -4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.633 11.517 -4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.007 8.806 -5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.051 8.980 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.644 7.891 -4.484 1.00 0.00 H new ATOM 1074 N THR A 73 0.536 12.064 -1.671 1.00 0.00 N ATOM 1075 CA THR A 73 -0.380 13.079 -1.165 1.00 0.00 C ATOM 1076 C THR A 73 -0.402 14.302 -2.074 1.00 0.00 C ATOM 1077 O THR A 73 0.634 14.725 -2.587 1.00 0.00 O ATOM 1078 CB THR A 73 0.003 13.519 0.260 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.228 14.260 0.232 1.00 0.00 O ATOM 1080 CG2 THR A 73 0.154 12.315 1.177 1.00 0.00 C ATOM 0 H THR A 73 1.516 12.226 -1.438 1.00 0.00 H new ATOM 0 HA THR A 73 -1.372 12.628 -1.144 1.00 0.00 H new ATOM 0 HB THR A 73 -0.795 14.152 0.647 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.463 14.537 1.142 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.425 12.652 2.178 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.789 11.770 1.220 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.935 11.659 0.791 1.00 0.00 H new ATOM 1088 N SER A 74 -1.589 14.867 -2.270 1.00 0.00 N ATOM 1089 CA SER A 74 -1.746 16.041 -3.120 1.00 0.00 C ATOM 1090 C SER A 74 -1.894 17.305 -2.279 1.00 0.00 C ATOM 1091 O SER A 74 -2.920 17.517 -1.633 1.00 0.00 O ATOM 1092 CB SER A 74 -2.963 15.876 -4.033 1.00 0.00 C ATOM 1093 OG SER A 74 -2.798 16.602 -5.239 1.00 0.00 O ATOM 0 H SER A 74 -2.456 14.530 -1.851 1.00 0.00 H new ATOM 0 HA SER A 74 -0.850 16.137 -3.734 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.112 14.820 -4.258 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.859 16.221 -3.517 1.00 0.00 H new ATOM 0 HG SER A 74 -3.588 16.479 -5.806 1.00 0.00 H new ATOM 1153 N ASP A 80 3.972 14.833 -2.203 1.00 0.00 N ATOM 1154 CA ASP A 80 5.054 13.991 -1.706 1.00 0.00 C ATOM 1155 C ASP A 80 4.791 12.523 -2.025 1.00 0.00 C ATOM 1156 O ASP A 80 3.764 12.177 -2.610 1.00 0.00 O ATOM 1157 CB ASP A 80 5.221 14.176 -0.197 1.00 0.00 C ATOM 1158 CG ASP A 80 6.656 13.990 0.254 1.00 0.00 C ATOM 1159 OD1 ASP A 80 7.119 12.831 0.299 1.00 0.00 O ATOM 1160 OD2 ASP A 80 7.317 15.004 0.562 1.00 0.00 O ATOM 0 HA ASP A 80 5.975 14.293 -2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.881 15.173 0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.584 13.463 0.326 1.00 0.00 H new ATOM 1165 N THR A 81 5.726 11.661 -1.636 1.00 0.00 N ATOM 1166 CA THR A 81 5.597 10.231 -1.883 1.00 0.00 C ATOM 1167 C THR A 81 6.339 9.422 -0.825 1.00 0.00 C ATOM 1168 O THR A 81 7.489 9.715 -0.497 1.00 0.00 O ATOM 1169 CB THR A 81 6.135 9.849 -3.275 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.618 10.748 -4.262 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.750 8.421 -3.631 1.00 0.00 C ATOM 0 H THR A 81 6.581 11.929 -1.148 1.00 0.00 H new ATOM 0 HA THR A 81 4.533 9.998 -1.837 1.00 0.00 H new ATOM 0 HB THR A 81 7.222 9.920 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.965 10.500 -5.144 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.141 8.174 -4.618 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.169 7.737 -2.893 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.664 8.328 -3.637 1.00 0.00 H new ATOM 1179 N THR A 82 5.674 8.400 -0.293 1.00 0.00 N ATOM 1180 CA THR A 82 6.271 7.549 0.728 1.00 0.00 C ATOM 1181 C THR A 82 6.190 6.078 0.334 1.00 0.00 C ATOM 1182 O THR A 82 5.102 5.533 0.151 1.00 0.00 O ATOM 1183 CB THR A 82 5.582 7.741 2.092 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.198 9.110 2.259 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.505 7.326 3.228 1.00 0.00 C ATOM 0 H THR A 82 4.722 8.142 -0.553 1.00 0.00 H new ATOM 0 HA THR A 82 7.317 7.843 0.812 1.00 0.00 H new ATOM 0 HB THR A 82 4.694 7.109 2.117 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.238 9.204 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.997 7.471 4.181 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.772 6.275 3.115 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.409 7.935 3.203 1.00 0.00 H new ATOM 1193 N TYR A 83 7.349 5.442 0.204 1.00 0.00 N ATOM 1194 CA TYR A 83 7.409 4.034 -0.171 1.00 0.00 C ATOM 1195 C TYR A 83 7.419 3.141 1.066 1.00 0.00 C ATOM 1196 O TYR A 83 7.783 3.577 2.158 1.00 0.00 O ATOM 1197 CB TYR A 83 8.653 3.763 -1.019 1.00 0.00 C ATOM 1198 CG TYR A 83 8.615 4.423 -2.378 1.00 0.00 C ATOM 1199 CD1 TYR A 83 8.986 5.752 -2.538 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.207 3.716 -3.504 1.00 0.00 C ATOM 1201 CE1 TYR A 83 8.952 6.359 -3.779 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.171 4.315 -4.748 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.544 5.636 -4.881 1.00 0.00 C ATOM 1204 OH TYR A 83 8.509 6.237 -6.118 1.00 0.00 O ATOM 0 H TYR A 83 8.259 5.878 0.353 1.00 0.00 H new ATOM 0 HA TYR A 83 6.520 3.802 -0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.533 4.112 -0.479 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.766 2.687 -1.150 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.307 6.321 -1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.913 2.681 -3.404 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.243 7.394 -3.886 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.852 3.752 -5.612 1.00 0.00 H new ATOM 0 HH TYR A 83 8.200 5.591 -6.787 1.00 0.00 H new ATOM 1214 N PHE A 84 7.017 1.887 0.886 1.00 0.00 N ATOM 1215 CA PHE A 84 6.978 0.931 1.986 1.00 0.00 C ATOM 1216 C PHE A 84 7.230 -0.488 1.483 1.00 0.00 C ATOM 1217 O PHE A 84 6.385 -1.079 0.811 1.00 0.00 O ATOM 1218 CB PHE A 84 5.626 0.998 2.700 1.00 0.00 C ATOM 1219 CG PHE A 84 5.157 2.400 2.966 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.448 3.100 2.003 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.425 3.016 4.177 1.00 0.00 C ATOM 1222 CE1 PHE A 84 4.016 4.391 2.245 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.995 4.307 4.424 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.289 4.994 3.457 1.00 0.00 C ATOM 0 H PHE A 84 6.714 1.509 -0.012 1.00 0.00 H new ATOM 0 HA PHE A 84 7.767 1.194 2.691 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.879 0.482 2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.697 0.462 3.646 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.231 2.633 1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.976 2.482 4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.465 4.928 1.487 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.211 4.777 5.372 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.951 6.002 3.648 1.00 0.00 H new ATOM 1234 N SER A 85 8.399 -1.027 1.813 1.00 0.00 N ATOM 1235 CA SER A 85 8.766 -2.374 1.391 1.00 0.00 C ATOM 1236 C SER A 85 8.147 -3.419 2.314 1.00 0.00 C ATOM 1237 O SER A 85 8.586 -3.599 3.450 1.00 0.00 O ATOM 1238 CB SER A 85 10.288 -2.529 1.374 1.00 0.00 C ATOM 1239 OG SER A 85 10.663 -3.890 1.501 1.00 0.00 O ATOM 0 H SER A 85 9.108 -0.552 2.371 1.00 0.00 H new ATOM 0 HA SER A 85 8.381 -2.531 0.383 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.688 -2.123 0.445 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.725 -1.951 2.188 1.00 0.00 H new ATOM 0 HG SER A 85 11.640 -3.963 1.486 1.00 0.00 H new ATOM 1245 N VAL A 86 7.124 -4.107 1.817 1.00 0.00 N ATOM 1246 CA VAL A 86 6.445 -5.136 2.595 1.00 0.00 C ATOM 1247 C VAL A 86 6.886 -6.531 2.167 1.00 0.00 C ATOM 1248 O VAL A 86 7.267 -6.746 1.017 1.00 0.00 O ATOM 1249 CB VAL A 86 4.915 -5.028 2.454 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.230 -6.195 3.148 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.421 -3.701 3.012 1.00 0.00 C ATOM 0 H VAL A 86 6.747 -3.970 0.879 1.00 0.00 H new ATOM 0 HA VAL A 86 6.719 -4.976 3.638 1.00 0.00 H new ATOM 0 HB VAL A 86 4.662 -5.068 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.150 -6.101 3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.561 -7.131 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.488 -6.191 4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.338 -3.642 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.685 -3.629 4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.886 -2.881 2.465 1.00 0.00 H new ATOM 1261 N ASN A 87 6.832 -7.476 3.100 1.00 0.00 N ATOM 1262 CA ASN A 87 7.226 -8.851 2.819 1.00 0.00 C ATOM 1263 C ASN A 87 6.461 -9.829 3.706 1.00 0.00 C ATOM 1264 O ASN A 87 6.746 -9.957 4.896 1.00 0.00 O ATOM 1265 CB ASN A 87 8.732 -9.025 3.030 1.00 0.00 C ATOM 1266 CG ASN A 87 9.323 -10.088 2.124 1.00 0.00 C ATOM 1267 OD1 ASN A 87 9.632 -9.828 0.961 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.484 -11.295 2.655 1.00 0.00 N ATOM 0 H ASN A 87 6.519 -7.314 4.057 1.00 0.00 H new ATOM 0 HA ASN A 87 6.984 -9.066 1.778 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.234 -8.075 2.847 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.922 -9.291 4.070 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.878 -12.051 2.094 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.214 -11.466 3.624 1.00 0.00 H new ATOM 1275 N VAL A 88 5.488 -10.516 3.116 1.00 0.00 N ATOM 1276 CA VAL A 88 4.682 -11.484 3.852 1.00 0.00 C ATOM 1277 C VAL A 88 5.162 -12.908 3.595 1.00 0.00 C ATOM 1278 O VAL A 88 5.160 -13.379 2.457 1.00 0.00 O ATOM 1279 CB VAL A 88 3.193 -11.379 3.471 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.363 -12.360 4.285 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.693 -9.956 3.664 1.00 0.00 C ATOM 0 H VAL A 88 5.239 -10.421 2.132 1.00 0.00 H new ATOM 0 HA VAL A 88 4.796 -11.251 4.911 1.00 0.00 H new ATOM 0 HB VAL A 88 3.086 -11.637 2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.314 -12.271 4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.707 -13.376 4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.473 -12.137 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.639 -9.900 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.812 -9.667 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.268 -9.279 3.032 1.00 0.00 H new ATOM 1291 N SER A 89 5.574 -13.589 4.659 1.00 0.00 N ATOM 1292 CA SER A 89 6.061 -14.959 4.549 1.00 0.00 C ATOM 1293 C SER A 89 6.045 -15.652 5.908 1.00 0.00 C ATOM 1294 O SER A 89 6.314 -15.032 6.937 1.00 0.00 O ATOM 1295 CB SER A 89 7.478 -14.974 3.972 1.00 0.00 C ATOM 1296 OG SER A 89 7.827 -16.268 3.511 1.00 0.00 O ATOM 0 H SER A 89 5.580 -13.214 5.608 1.00 0.00 H new ATOM 0 HA SER A 89 5.397 -15.502 3.876 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.547 -14.261 3.151 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.188 -14.652 4.734 1.00 0.00 H new ATOM 0 HG SER A 89 8.736 -16.251 3.145 1.00 0.00 H new ATOM 1302 N ASP A 90 5.728 -16.942 5.903 1.00 0.00 N ATOM 1303 CA ASP A 90 5.677 -17.722 7.134 1.00 0.00 C ATOM 1304 C ASP A 90 7.037 -17.734 7.826 1.00 0.00 C ATOM 1305 O ASP A 90 7.160 -18.182 8.965 1.00 0.00 O ATOM 1306 CB ASP A 90 5.229 -19.154 6.838 1.00 0.00 C ATOM 1307 CG ASP A 90 5.796 -20.154 7.826 1.00 0.00 C ATOM 1308 OD1 ASP A 90 6.965 -20.560 7.656 1.00 0.00 O ATOM 1309 OD2 ASP A 90 5.071 -20.531 8.770 1.00 0.00 O ATOM 0 H ASP A 90 5.502 -17.470 5.060 1.00 0.00 H new ATOM 0 HA ASP A 90 4.953 -17.254 7.802 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.140 -19.203 6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.540 -19.428 5.830 1.00 0.00 H new