USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 663 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 59 THR OG1 : rot -2:sc= 0.702 USER MOD Set 1.2: A 60 SER OG : rot -70:sc= -0.188 USER MOD Set 2.1: A 20 THR OG1 : rot 38:sc= 1.08 USER MOD Set 2.2: A 23 THR OG1 : rot 21:sc= 0.382 USER MOD Set 2.3: A 62 GLN :FLIP amide:sc= -2.79 F(o=-5.5!,f=-1.3) USER MOD Single : A 17 LYS NZ :NH3+ -105:sc= -1.7! (180deg=-4.52!) USER MOD Single : A 27 THR OG1 : rot 62:sc= 0.213 USER MOD Single : A 29 THR OG1 : rot -178:sc= -0.937 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -2.89 K(o=-2.9,f=-4.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.963 USER MOD Single : A 49 THR OG1 : rot 27:sc= 0.0889 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 61 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.068) USER MOD Single : A 69 SER OG : rot -54:sc= 0.652 USER MOD Single : A 70 THR OG1 : rot -130:sc= -1.41 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 109:sc= 0.773 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -2.11 K(o=-2.1,f=-2.9) USER MOD Single : A 79 MET CE :methyl -169:sc=-0.00498 (180deg=-0.141) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -174:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 15.941 -5.153 -4.386 1.00 0.00 N ATOM 86 CA GLU A 9 14.798 -5.877 -3.843 1.00 0.00 C ATOM 87 C GLU A 9 13.605 -4.945 -3.648 1.00 0.00 C ATOM 88 O GLU A 9 13.757 -3.724 -3.616 1.00 0.00 O ATOM 89 CB GLU A 9 15.168 -6.533 -2.511 1.00 0.00 C ATOM 90 CG GLU A 9 15.943 -7.831 -2.667 1.00 0.00 C ATOM 91 CD GLU A 9 15.037 -9.039 -2.808 1.00 0.00 C ATOM 92 OE1 GLU A 9 13.815 -8.846 -2.978 1.00 0.00 O ATOM 93 OE2 GLU A 9 15.550 -10.176 -2.748 1.00 0.00 O ATOM 0 HA GLU A 9 14.519 -6.652 -4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.762 -5.833 -1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.256 -6.729 -1.947 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.588 -7.761 -3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.593 -7.968 -1.803 1.00 0.00 H new ATOM 100 N ALA A 10 12.419 -5.530 -3.521 1.00 0.00 N ATOM 101 CA ALA A 10 11.200 -4.753 -3.329 1.00 0.00 C ATOM 102 C ALA A 10 10.593 -5.015 -1.955 1.00 0.00 C ATOM 103 O ALA A 10 10.989 -5.936 -1.240 1.00 0.00 O ATOM 104 CB ALA A 10 10.193 -5.072 -4.423 1.00 0.00 C ATOM 0 H ALA A 10 12.276 -6.540 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 10 11.459 -3.696 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.288 -4.485 -4.267 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.622 -4.827 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.947 -6.133 -4.392 1.00 0.00 H new ATOM 110 N PRO A 11 9.610 -4.186 -1.574 1.00 0.00 N ATOM 111 CA PRO A 11 8.927 -4.309 -0.282 1.00 0.00 C ATOM 112 C PRO A 11 8.044 -5.550 -0.209 1.00 0.00 C ATOM 113 O PRO A 11 7.583 -6.056 -1.232 1.00 0.00 O ATOM 114 CB PRO A 11 8.074 -3.040 -0.210 1.00 0.00 C ATOM 115 CG PRO A 11 7.847 -2.655 -1.631 1.00 0.00 C ATOM 116 CD PRO A 11 9.088 -3.066 -2.375 1.00 0.00 C ATOM 0 HA PRO A 11 9.631 -4.413 0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.132 -3.225 0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.587 -2.249 0.337 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.966 -3.155 -2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.675 -1.583 -1.722 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.861 -3.373 -3.396 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.807 -2.249 -2.440 1.00 0.00 H new ATOM 124 N ARG A 12 7.811 -6.034 1.007 1.00 0.00 N ATOM 125 CA ARG A 12 6.983 -7.216 1.213 1.00 0.00 C ATOM 126 C ARG A 12 6.164 -7.089 2.494 1.00 0.00 C ATOM 127 O ARG A 12 6.265 -6.093 3.211 1.00 0.00 O ATOM 128 CB ARG A 12 7.855 -8.471 1.275 1.00 0.00 C ATOM 129 CG ARG A 12 8.683 -8.575 2.545 1.00 0.00 C ATOM 130 CD ARG A 12 9.909 -9.452 2.341 1.00 0.00 C ATOM 131 NE ARG A 12 10.819 -8.897 1.342 1.00 0.00 N ATOM 132 CZ ARG A 12 11.954 -9.481 0.977 1.00 0.00 C ATOM 133 NH1 ARG A 12 12.318 -10.632 1.525 1.00 0.00 N ATOM 134 NH2 ARG A 12 12.729 -8.914 0.061 1.00 0.00 N ATOM 0 H ARG A 12 8.184 -5.626 1.864 1.00 0.00 H new ATOM 0 HA ARG A 12 6.297 -7.300 0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.217 -9.351 1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.523 -8.482 0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.995 -7.579 2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.070 -8.985 3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.436 -9.565 3.289 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.594 -10.448 2.031 1.00 0.00 H new ATOM 0 HE ARG A 12 10.569 -8.012 0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.725 -11.072 2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.191 -11.078 1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.453 -8.029 -0.363 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.601 -9.364 -0.219 1.00 0.00 H new ATOM 148 N ASP A 13 5.354 -8.104 2.775 1.00 0.00 N ATOM 149 CA ASP A 13 4.517 -8.107 3.969 1.00 0.00 C ATOM 150 C ASP A 13 3.599 -6.888 3.993 1.00 0.00 C ATOM 151 O ASP A 13 3.378 -6.284 5.043 1.00 0.00 O ATOM 152 CB ASP A 13 5.387 -8.130 5.227 1.00 0.00 C ATOM 153 CG ASP A 13 5.959 -9.505 5.510 1.00 0.00 C ATOM 154 OD1 ASP A 13 6.369 -10.186 4.547 1.00 0.00 O ATOM 155 OD2 ASP A 13 5.996 -9.900 6.694 1.00 0.00 O ATOM 0 H ASP A 13 5.259 -8.935 2.192 1.00 0.00 H new ATOM 0 HA ASP A 13 3.899 -9.004 3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.203 -7.416 5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.794 -7.803 6.081 1.00 0.00 H new ATOM 160 N LEU A 14 3.069 -6.531 2.829 1.00 0.00 N ATOM 161 CA LEU A 14 2.175 -5.384 2.715 1.00 0.00 C ATOM 162 C LEU A 14 0.733 -5.785 3.008 1.00 0.00 C ATOM 163 O LEU A 14 0.155 -6.614 2.306 1.00 0.00 O ATOM 164 CB LEU A 14 2.272 -4.773 1.316 1.00 0.00 C ATOM 165 CG LEU A 14 1.219 -3.721 0.968 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.566 -2.386 1.608 1.00 0.00 C ATOM 167 CD2 LEU A 14 1.090 -3.574 -0.542 1.00 0.00 C ATOM 0 H LEU A 14 3.243 -7.019 1.950 1.00 0.00 H new ATOM 0 HA LEU A 14 2.483 -4.641 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.258 -4.321 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.207 -5.578 0.584 1.00 0.00 H new ATOM 0 HG LEU A 14 0.259 -4.051 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.805 -1.650 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.606 -2.501 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.536 -2.049 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.336 -2.821 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.048 -3.267 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.793 -4.529 -0.976 1.00 0.00 H new ATOM 179 N GLU A 15 0.158 -5.190 4.049 1.00 0.00 N ATOM 180 CA GLU A 15 -1.217 -5.486 4.433 1.00 0.00 C ATOM 181 C GLU A 15 -1.908 -4.240 4.982 1.00 0.00 C ATOM 182 O GLU A 15 -1.318 -3.162 5.033 1.00 0.00 O ATOM 183 CB GLU A 15 -1.249 -6.603 5.478 1.00 0.00 C ATOM 184 CG GLU A 15 -0.088 -6.554 6.457 1.00 0.00 C ATOM 185 CD GLU A 15 0.393 -5.141 6.722 1.00 0.00 C ATOM 186 OE1 GLU A 15 -0.443 -4.287 7.085 1.00 0.00 O ATOM 187 OE2 GLU A 15 1.606 -4.889 6.566 1.00 0.00 O ATOM 0 H GLU A 15 0.623 -4.501 4.641 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.753 -5.816 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.185 -6.542 6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.243 -7.566 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.392 -7.013 7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.738 -7.147 6.065 1.00 0.00 H new ATOM 194 N ALA A 16 -3.162 -4.399 5.391 1.00 0.00 N ATOM 195 CA ALA A 16 -3.934 -3.289 5.937 1.00 0.00 C ATOM 196 C ALA A 16 -4.090 -3.421 7.448 1.00 0.00 C ATOM 197 O ALA A 16 -4.554 -4.446 7.948 1.00 0.00 O ATOM 198 CB ALA A 16 -5.298 -3.215 5.268 1.00 0.00 C ATOM 0 H ALA A 16 -3.665 -5.285 5.355 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.392 -2.366 5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.863 -2.382 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.170 -3.066 4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.840 -4.145 5.442 1.00 0.00 H new ATOM 204 N LYS A 17 -3.700 -2.377 8.171 1.00 0.00 N ATOM 205 CA LYS A 17 -3.797 -2.375 9.626 1.00 0.00 C ATOM 206 C LYS A 17 -4.773 -1.305 10.105 1.00 0.00 C ATOM 207 O LYS A 17 -5.148 -0.411 9.347 1.00 0.00 O ATOM 208 CB LYS A 17 -2.419 -2.139 10.249 1.00 0.00 C ATOM 209 CG LYS A 17 -1.344 -3.072 9.720 1.00 0.00 C ATOM 210 CD LYS A 17 -1.204 -4.311 10.589 1.00 0.00 C ATOM 211 CE LYS A 17 -2.242 -5.363 10.230 1.00 0.00 C ATOM 212 NZ LYS A 17 -3.480 -5.223 11.047 1.00 0.00 N ATOM 0 H LYS A 17 -3.314 -1.521 7.773 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.170 -3.349 9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.117 -1.108 10.063 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.493 -2.259 11.330 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.588 -3.368 8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.391 -2.545 9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.204 -4.729 10.470 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.312 -4.035 11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.493 -5.279 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.819 -6.356 10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.506 -5.971 11.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.486 -4.293 11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.314 -5.307 10.431 1.00 0.00 H new ATOM 226 N GLU A 18 -5.179 -1.402 11.367 1.00 0.00 N ATOM 227 CA GLU A 18 -6.111 -0.441 11.945 1.00 0.00 C ATOM 228 C GLU A 18 -7.113 0.041 10.900 1.00 0.00 C ATOM 229 O GLU A 18 -7.320 1.243 10.730 1.00 0.00 O ATOM 230 CB GLU A 18 -5.351 0.752 12.528 1.00 0.00 C ATOM 231 CG GLU A 18 -4.248 0.358 13.496 1.00 0.00 C ATOM 232 CD GLU A 18 -4.783 -0.066 14.850 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.305 0.803 15.579 1.00 0.00 O ATOM 234 OE2 GLU A 18 -4.680 -1.266 15.180 1.00 0.00 O ATOM 0 H GLU A 18 -4.877 -2.136 12.008 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.658 -0.940 12.745 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.917 1.329 11.712 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.056 1.406 13.041 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.668 -0.459 13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.567 1.199 13.626 1.00 0.00 H new ATOM 241 N VAL A 19 -7.732 -0.905 10.202 1.00 0.00 N ATOM 242 CA VAL A 19 -8.713 -0.578 9.174 1.00 0.00 C ATOM 243 C VAL A 19 -9.986 -0.009 9.790 1.00 0.00 C ATOM 244 O VAL A 19 -10.628 -0.651 10.622 1.00 0.00 O ATOM 245 CB VAL A 19 -9.073 -1.814 8.328 1.00 0.00 C ATOM 246 CG1 VAL A 19 -10.168 -1.476 7.328 1.00 0.00 C ATOM 247 CG2 VAL A 19 -7.839 -2.352 7.619 1.00 0.00 C ATOM 0 H VAL A 19 -7.572 -1.904 10.329 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.257 0.174 8.530 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.449 -2.591 8.993 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.409 -2.361 6.739 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.058 -1.142 7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.823 -0.682 6.665 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.112 -3.225 7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.431 -1.582 6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.089 -2.635 8.358 1.00 0.00 H new ATOM 257 N THR A 20 -10.348 1.202 9.375 1.00 0.00 N ATOM 258 CA THR A 20 -11.544 1.859 9.886 1.00 0.00 C ATOM 259 C THR A 20 -12.342 2.503 8.758 1.00 0.00 C ATOM 260 O THR A 20 -11.823 2.776 7.676 1.00 0.00 O ATOM 261 CB THR A 20 -11.191 2.935 10.930 1.00 0.00 C ATOM 262 OG1 THR A 20 -9.930 3.533 10.611 1.00 0.00 O ATOM 263 CG2 THR A 20 -11.135 2.336 12.327 1.00 0.00 C ATOM 0 H THR A 20 -9.829 1.747 8.686 1.00 0.00 H new ATOM 0 HA THR A 20 -12.150 1.088 10.361 1.00 0.00 H new ATOM 0 HB THR A 20 -11.969 3.698 10.910 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.849 3.627 9.639 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.884 3.115 13.047 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.105 1.908 12.579 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.375 1.555 12.358 1.00 0.00 H new ATOM 271 N PRO A 21 -13.634 2.754 9.015 1.00 0.00 N ATOM 272 CA PRO A 21 -14.531 3.371 8.033 1.00 0.00 C ATOM 273 C PRO A 21 -14.195 4.837 7.782 1.00 0.00 C ATOM 274 O PRO A 21 -14.704 5.448 6.842 1.00 0.00 O ATOM 275 CB PRO A 21 -15.911 3.242 8.683 1.00 0.00 C ATOM 276 CG PRO A 21 -15.636 3.169 10.146 1.00 0.00 C ATOM 277 CD PRO A 21 -14.319 2.455 10.284 1.00 0.00 C ATOM 0 HA PRO A 21 -14.458 2.892 7.057 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.544 4.096 8.441 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.432 2.351 8.333 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.587 4.166 10.584 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.428 2.630 10.666 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.753 2.818 11.142 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.456 1.383 10.424 1.00 0.00 H new ATOM 285 N ARG A 22 -13.335 5.395 8.628 1.00 0.00 N ATOM 286 CA ARG A 22 -12.932 6.791 8.497 1.00 0.00 C ATOM 287 C ARG A 22 -11.505 6.897 7.967 1.00 0.00 C ATOM 288 O ARG A 22 -11.153 7.863 7.290 1.00 0.00 O ATOM 289 CB ARG A 22 -13.041 7.503 9.847 1.00 0.00 C ATOM 290 CG ARG A 22 -14.396 8.148 10.088 1.00 0.00 C ATOM 291 CD ARG A 22 -14.430 9.580 9.577 1.00 0.00 C ATOM 292 NE ARG A 22 -14.817 9.650 8.170 1.00 0.00 N ATOM 293 CZ ARG A 22 -16.078 9.670 7.755 1.00 0.00 C ATOM 294 NH1 ARG A 22 -17.070 9.626 8.634 1.00 0.00 N ATOM 295 NH2 ARG A 22 -16.351 9.734 6.458 1.00 0.00 N ATOM 0 H ARG A 22 -12.904 4.903 9.411 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.602 7.272 7.785 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.843 6.786 10.643 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.268 8.269 9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.171 7.565 9.591 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.622 8.136 11.154 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.131 10.162 10.175 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.448 10.034 9.706 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.078 9.685 7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.865 9.577 9.632 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.038 9.642 8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.591 9.768 5.778 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.320 9.749 6.141 1.00 0.00 H new ATOM 309 N THR A 23 -10.687 5.897 8.280 1.00 0.00 N ATOM 310 CA THR A 23 -9.299 5.878 7.837 1.00 0.00 C ATOM 311 C THR A 23 -8.787 4.450 7.692 1.00 0.00 C ATOM 312 O THR A 23 -9.522 3.491 7.924 1.00 0.00 O ATOM 313 CB THR A 23 -8.387 6.642 8.815 1.00 0.00 C ATOM 314 OG1 THR A 23 -8.636 6.209 10.157 1.00 0.00 O ATOM 315 CG2 THR A 23 -8.616 8.142 8.711 1.00 0.00 C ATOM 0 H THR A 23 -10.962 5.089 8.839 1.00 0.00 H new ATOM 0 HA THR A 23 -9.271 6.371 6.865 1.00 0.00 H new ATOM 0 HB THR A 23 -7.351 6.430 8.551 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.060 5.326 10.142 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.960 8.660 9.411 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.397 8.474 7.696 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.655 8.369 8.951 1.00 0.00 H new ATOM 323 N ALA A 24 -7.522 4.316 7.308 1.00 0.00 N ATOM 324 CA ALA A 24 -6.911 3.003 7.136 1.00 0.00 C ATOM 325 C ALA A 24 -5.390 3.106 7.100 1.00 0.00 C ATOM 326 O ALA A 24 -4.820 3.721 6.197 1.00 0.00 O ATOM 327 CB ALA A 24 -7.427 2.344 5.866 1.00 0.00 C ATOM 0 H ALA A 24 -6.900 5.100 7.110 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.187 2.386 7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.963 1.365 5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.509 2.227 5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.180 2.967 5.006 1.00 0.00 H new ATOM 333 N LEU A 25 -4.737 2.502 8.086 1.00 0.00 N ATOM 334 CA LEU A 25 -3.281 2.526 8.167 1.00 0.00 C ATOM 335 C LEU A 25 -2.674 1.332 7.438 1.00 0.00 C ATOM 336 O LEU A 25 -3.015 0.182 7.718 1.00 0.00 O ATOM 337 CB LEU A 25 -2.832 2.527 9.630 1.00 0.00 C ATOM 338 CG LEU A 25 -1.356 2.213 9.879 1.00 0.00 C ATOM 339 CD1 LEU A 25 -0.528 3.488 9.858 1.00 0.00 C ATOM 340 CD2 LEU A 25 -1.182 1.483 11.203 1.00 0.00 C ATOM 0 H LEU A 25 -5.193 1.989 8.841 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.930 3.438 7.685 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.051 3.506 10.056 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.434 1.800 10.175 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.003 1.562 9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.519 3.245 10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.627 3.970 8.886 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.881 4.164 10.636 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.126 1.268 11.364 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.552 2.109 12.015 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.743 0.549 11.180 1.00 0.00 H new ATOM 352 N LEU A 26 -1.773 1.611 6.503 1.00 0.00 N ATOM 353 CA LEU A 26 -1.116 0.559 5.734 1.00 0.00 C ATOM 354 C LEU A 26 0.352 0.434 6.127 1.00 0.00 C ATOM 355 O LEU A 26 1.117 1.395 6.032 1.00 0.00 O ATOM 356 CB LEU A 26 -1.233 0.847 4.237 1.00 0.00 C ATOM 357 CG LEU A 26 -2.591 0.551 3.600 1.00 0.00 C ATOM 358 CD1 LEU A 26 -2.793 1.399 2.354 1.00 0.00 C ATOM 359 CD2 LEU A 26 -2.713 -0.928 3.266 1.00 0.00 C ATOM 0 H LEU A 26 -1.480 2.557 6.259 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.614 -0.385 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.997 1.898 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.475 0.264 3.715 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.370 0.806 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.765 1.174 1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.751 2.455 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.008 1.177 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.686 -1.120 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.926 -1.209 2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.615 -1.516 4.178 1.00 0.00 H new ATOM 371 N THR A 27 0.742 -0.759 6.567 1.00 0.00 N ATOM 372 CA THR A 27 2.119 -1.011 6.973 1.00 0.00 C ATOM 373 C THR A 27 2.820 -1.940 5.989 1.00 0.00 C ATOM 374 O THR A 27 2.205 -2.850 5.433 1.00 0.00 O ATOM 375 CB THR A 27 2.185 -1.630 8.382 1.00 0.00 C ATOM 376 OG1 THR A 27 1.601 -2.937 8.371 1.00 0.00 O ATOM 377 CG2 THR A 27 1.460 -0.753 9.392 1.00 0.00 C ATOM 0 H THR A 27 0.123 -1.566 6.651 1.00 0.00 H new ATOM 0 HA THR A 27 2.627 -0.047 6.984 1.00 0.00 H new ATOM 0 HB THR A 27 3.233 -1.704 8.674 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.106 -3.516 7.762 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.520 -1.210 10.380 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.926 0.232 9.419 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.414 -0.652 9.102 1.00 0.00 H new ATOM 385 N TRP A 28 4.111 -1.707 5.780 1.00 0.00 N ATOM 386 CA TRP A 28 4.897 -2.525 4.862 1.00 0.00 C ATOM 387 C TRP A 28 6.306 -2.745 5.401 1.00 0.00 C ATOM 388 O TRP A 28 6.759 -2.030 6.295 1.00 0.00 O ATOM 389 CB TRP A 28 4.961 -1.864 3.485 1.00 0.00 C ATOM 390 CG TRP A 28 5.744 -0.586 3.475 1.00 0.00 C ATOM 391 CD1 TRP A 28 7.089 -0.450 3.282 1.00 0.00 C ATOM 392 CD2 TRP A 28 5.229 0.736 3.668 1.00 0.00 C ATOM 393 NE1 TRP A 28 7.441 0.876 3.344 1.00 0.00 N ATOM 394 CE2 TRP A 28 6.318 1.625 3.579 1.00 0.00 C ATOM 395 CE3 TRP A 28 3.954 1.256 3.906 1.00 0.00 C ATOM 396 CZ2 TRP A 28 6.169 3.002 3.720 1.00 0.00 C ATOM 397 CZ3 TRP A 28 3.807 2.623 4.046 1.00 0.00 C ATOM 398 CH2 TRP A 28 4.909 3.483 3.952 1.00 0.00 C ATOM 0 H TRP A 28 4.636 -0.959 6.233 1.00 0.00 H new ATOM 0 HA TRP A 28 4.408 -3.495 4.768 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.408 -2.561 2.776 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.947 -1.663 3.139 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.775 -1.265 3.106 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.386 1.244 3.233 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.098 0.601 3.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.017 3.667 3.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.826 3.035 4.231 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.761 4.547 4.065 1.00 0.00 H new ATOM 409 N THR A 29 6.997 -3.739 4.850 1.00 0.00 N ATOM 410 CA THR A 29 8.355 -4.053 5.276 1.00 0.00 C ATOM 411 C THR A 29 9.382 -3.445 4.328 1.00 0.00 C ATOM 412 O THR A 29 9.320 -3.651 3.116 1.00 0.00 O ATOM 413 CB THR A 29 8.581 -5.575 5.352 1.00 0.00 C ATOM 414 OG1 THR A 29 7.656 -6.162 6.275 1.00 0.00 O ATOM 415 CG2 THR A 29 10.005 -5.889 5.785 1.00 0.00 C ATOM 0 H THR A 29 6.638 -4.340 4.108 1.00 0.00 H new ATOM 0 HA THR A 29 8.483 -3.624 6.270 1.00 0.00 H new ATOM 0 HB THR A 29 8.419 -5.995 4.359 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.826 -7.125 6.340 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.141 -6.969 5.832 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.706 -5.466 5.065 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.190 -5.457 6.769 1.00 0.00 H new ATOM 423 N GLU A 30 10.328 -2.697 4.889 1.00 0.00 N ATOM 424 CA GLU A 30 11.369 -2.060 4.092 1.00 0.00 C ATOM 425 C GLU A 30 12.364 -3.092 3.571 1.00 0.00 C ATOM 426 O GLU A 30 12.754 -4.026 4.273 1.00 0.00 O ATOM 427 CB GLU A 30 12.101 -1.003 4.921 1.00 0.00 C ATOM 428 CG GLU A 30 11.475 0.379 4.836 1.00 0.00 C ATOM 429 CD GLU A 30 12.476 1.490 5.087 1.00 0.00 C ATOM 430 OE1 GLU A 30 13.143 1.917 4.121 1.00 0.00 O ATOM 431 OE2 GLU A 30 12.594 1.932 6.249 1.00 0.00 O ATOM 0 H GLU A 30 10.394 -2.518 5.891 1.00 0.00 H new ATOM 0 HA GLU A 30 10.893 -1.577 3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.120 -1.320 5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.137 -0.945 4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.030 0.512 3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.666 0.453 5.563 1.00 0.00 H new ATOM 438 N PRO A 31 12.786 -2.923 2.309 1.00 0.00 N ATOM 439 CA PRO A 31 13.741 -3.830 1.664 1.00 0.00 C ATOM 440 C PRO A 31 15.142 -3.709 2.253 1.00 0.00 C ATOM 441 O PRO A 31 15.445 -2.789 3.013 1.00 0.00 O ATOM 442 CB PRO A 31 13.733 -3.373 0.203 1.00 0.00 C ATOM 443 CG PRO A 31 13.316 -1.944 0.255 1.00 0.00 C ATOM 444 CD PRO A 31 12.364 -1.832 1.414 1.00 0.00 C ATOM 0 HA PRO A 31 13.465 -4.876 1.799 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.718 -3.482 -0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.040 -3.966 -0.393 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.178 -1.291 0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.835 -1.644 -0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.438 -0.860 1.902 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.328 -1.951 1.096 1.00 0.00 H new ATOM 452 N PRO A 32 16.020 -4.658 1.894 1.00 0.00 N ATOM 453 CA PRO A 32 17.404 -4.679 2.374 1.00 0.00 C ATOM 454 C PRO A 32 18.239 -3.546 1.786 1.00 0.00 C ATOM 455 O PRO A 32 19.420 -3.402 2.103 1.00 0.00 O ATOM 456 CB PRO A 32 17.927 -6.034 1.892 1.00 0.00 C ATOM 457 CG PRO A 32 17.085 -6.366 0.709 1.00 0.00 C ATOM 458 CD PRO A 32 15.727 -5.784 0.990 1.00 0.00 C ATOM 0 HA PRO A 32 17.462 -4.544 3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 32 18.982 -5.978 1.624 1.00 0.00 H new ATOM 0 HB3 PRO A 32 17.835 -6.793 2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.509 -5.944 -0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.025 -7.445 0.563 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.236 -5.449 0.076 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.066 -6.514 1.458 1.00 0.00 H new ATOM 466 N VAL A 33 17.618 -2.744 0.926 1.00 0.00 N ATOM 467 CA VAL A 33 18.304 -1.624 0.294 1.00 0.00 C ATOM 468 C VAL A 33 17.453 -0.359 0.346 1.00 0.00 C ATOM 469 O VAL A 33 16.818 0.014 -0.641 1.00 0.00 O ATOM 470 CB VAL A 33 18.654 -1.935 -1.173 1.00 0.00 C ATOM 471 CG1 VAL A 33 19.256 -0.713 -1.849 1.00 0.00 C ATOM 472 CG2 VAL A 33 19.602 -3.121 -1.254 1.00 0.00 C ATOM 0 H VAL A 33 16.641 -2.850 0.652 1.00 0.00 H new ATOM 0 HA VAL A 33 19.226 -1.462 0.852 1.00 0.00 H new ATOM 0 HB VAL A 33 17.736 -2.196 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.497 -0.952 -2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.539 0.107 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.164 -0.417 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.839 -3.327 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.520 -2.891 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.128 -3.996 -0.810 1.00 0.00 H new ATOM 482 N ARG A 34 17.446 0.296 1.502 1.00 0.00 N ATOM 483 CA ARG A 34 16.673 1.519 1.682 1.00 0.00 C ATOM 484 C ARG A 34 16.654 2.344 0.399 1.00 0.00 C ATOM 485 O ARG A 34 17.656 2.937 -0.002 1.00 0.00 O ATOM 486 CB ARG A 34 17.254 2.351 2.827 1.00 0.00 C ATOM 487 CG ARG A 34 16.304 3.417 3.348 1.00 0.00 C ATOM 488 CD ARG A 34 16.817 4.038 4.638 1.00 0.00 C ATOM 489 NE ARG A 34 17.737 5.144 4.385 1.00 0.00 N ATOM 490 CZ ARG A 34 19.030 4.980 4.130 1.00 0.00 C ATOM 491 NH1 ARG A 34 19.553 3.762 4.095 1.00 0.00 N ATOM 492 NH2 ARG A 34 19.803 6.036 3.910 1.00 0.00 N ATOM 0 H ARG A 34 17.967 0.000 2.328 1.00 0.00 H new ATOM 0 HA ARG A 34 15.649 1.239 1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 34 17.525 1.686 3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 34 18.173 2.829 2.487 1.00 0.00 H new ATOM 0 HG2 ARG A 34 16.178 4.194 2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.321 2.978 3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.974 4.396 5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 34 17.321 3.276 5.232 1.00 0.00 H new ATOM 0 HE ARG A 34 17.366 6.094 4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 34 18.962 2.948 4.264 1.00 0.00 H new ATOM 0 HH12 ARG A 34 20.546 3.639 3.899 1.00 0.00 H new ATOM 0 HH21 ARG A 34 19.404 6.974 3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 34 20.796 5.909 3.714 1.00 0.00 H new ATOM 506 N PRO A 35 15.487 2.384 -0.262 1.00 0.00 N ATOM 507 CA PRO A 35 15.309 3.134 -1.510 1.00 0.00 C ATOM 508 C PRO A 35 15.349 4.642 -1.290 1.00 0.00 C ATOM 509 O PRO A 35 15.517 5.111 -0.165 1.00 0.00 O ATOM 510 CB PRO A 35 13.922 2.699 -1.989 1.00 0.00 C ATOM 511 CG PRO A 35 13.206 2.285 -0.751 1.00 0.00 C ATOM 512 CD PRO A 35 14.252 1.702 0.158 1.00 0.00 C ATOM 0 HA PRO A 35 16.105 2.931 -2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.403 3.515 -2.492 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.989 1.877 -2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.713 3.137 -0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.431 1.552 -0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.024 1.893 1.207 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.330 0.621 0.040 1.00 0.00 H new ATOM 520 N ALA A 36 15.194 5.397 -2.373 1.00 0.00 N ATOM 521 CA ALA A 36 15.209 6.853 -2.298 1.00 0.00 C ATOM 522 C ALA A 36 13.904 7.386 -1.718 1.00 0.00 C ATOM 523 O ALA A 36 13.910 8.237 -0.830 1.00 0.00 O ATOM 524 CB ALA A 36 15.461 7.449 -3.675 1.00 0.00 C ATOM 0 H ALA A 36 15.057 5.024 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 36 16.019 7.150 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.470 8.537 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.423 7.102 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.671 7.136 -4.357 1.00 0.00 H new ATOM 530 N GLY A 37 12.784 6.881 -2.228 1.00 0.00 N ATOM 531 CA GLY A 37 11.487 7.320 -1.750 1.00 0.00 C ATOM 532 C GLY A 37 10.409 6.274 -1.954 1.00 0.00 C ATOM 533 O GLY A 37 10.708 5.105 -2.198 1.00 0.00 O ATOM 0 H GLY A 37 12.753 6.175 -2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.557 7.563 -0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.203 8.236 -2.269 1.00 0.00 H new ATOM 537 N TYR A 38 9.153 6.693 -1.851 1.00 0.00 N ATOM 538 CA TYR A 38 8.027 5.783 -2.022 1.00 0.00 C ATOM 539 C TYR A 38 6.844 6.495 -2.671 1.00 0.00 C ATOM 540 O TYR A 38 6.649 7.697 -2.484 1.00 0.00 O ATOM 541 CB TYR A 38 7.607 5.198 -0.673 1.00 0.00 C ATOM 542 CG TYR A 38 8.334 3.922 -0.313 1.00 0.00 C ATOM 543 CD1 TYR A 38 8.485 2.900 -1.242 1.00 0.00 C ATOM 544 CD2 TYR A 38 8.869 3.738 0.956 1.00 0.00 C ATOM 545 CE1 TYR A 38 9.147 1.732 -0.917 1.00 0.00 C ATOM 546 CE2 TYR A 38 9.534 2.574 1.289 1.00 0.00 C ATOM 547 CZ TYR A 38 9.670 1.574 0.349 1.00 0.00 C ATOM 548 OH TYR A 38 10.332 0.412 0.676 1.00 0.00 O ATOM 0 H TYR A 38 8.889 7.657 -1.650 1.00 0.00 H new ATOM 0 HA TYR A 38 8.345 4.973 -2.679 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.785 5.939 0.106 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.535 5.003 -0.689 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.078 3.021 -2.235 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.763 4.519 1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.254 0.947 -1.651 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.945 2.448 2.280 1.00 0.00 H new ATOM 0 HH TYR A 38 10.640 0.461 1.605 1.00 0.00 H new ATOM 558 N LEU A 39 6.056 5.745 -3.434 1.00 0.00 N ATOM 559 CA LEU A 39 4.891 6.302 -4.111 1.00 0.00 C ATOM 560 C LEU A 39 3.656 5.440 -3.870 1.00 0.00 C ATOM 561 O LEU A 39 3.416 4.467 -4.586 1.00 0.00 O ATOM 562 CB LEU A 39 5.157 6.423 -5.612 1.00 0.00 C ATOM 563 CG LEU A 39 4.034 7.040 -6.446 1.00 0.00 C ATOM 564 CD1 LEU A 39 4.035 8.554 -6.305 1.00 0.00 C ATOM 565 CD2 LEU A 39 4.173 6.639 -7.908 1.00 0.00 C ATOM 0 H LEU A 39 6.203 4.749 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 39 4.704 7.294 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.058 7.020 -5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.369 5.428 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 39 3.082 6.661 -6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.229 8.976 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.887 8.822 -5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.990 8.951 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.365 7.087 -8.487 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.131 6.989 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.122 5.554 -7.994 1.00 0.00 H new ATOM 577 N LEU A 40 2.876 5.803 -2.858 1.00 0.00 N ATOM 578 CA LEU A 40 1.664 5.063 -2.523 1.00 0.00 C ATOM 579 C LEU A 40 0.485 5.539 -3.366 1.00 0.00 C ATOM 580 O LEU A 40 -0.089 6.596 -3.108 1.00 0.00 O ATOM 581 CB LEU A 40 1.340 5.223 -1.036 1.00 0.00 C ATOM 582 CG LEU A 40 0.112 4.463 -0.532 1.00 0.00 C ATOM 583 CD1 LEU A 40 0.486 3.039 -0.151 1.00 0.00 C ATOM 584 CD2 LEU A 40 -0.514 5.187 0.652 1.00 0.00 C ATOM 0 H LEU A 40 3.061 6.605 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 40 1.840 4.009 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.206 4.898 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.197 6.283 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.622 4.421 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.400 2.513 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.888 2.523 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.238 3.059 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.386 4.632 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.214 5.259 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.818 6.188 0.347 1.00 0.00 H new ATOM 596 N SER A 41 0.128 4.749 -4.374 1.00 0.00 N ATOM 597 CA SER A 41 -0.981 5.090 -5.257 1.00 0.00 C ATOM 598 C SER A 41 -2.223 4.275 -4.908 1.00 0.00 C ATOM 599 O SER A 41 -2.290 3.077 -5.183 1.00 0.00 O ATOM 600 CB SER A 41 -0.592 4.849 -6.716 1.00 0.00 C ATOM 601 OG SER A 41 -1.691 5.076 -7.581 1.00 0.00 O ATOM 0 H SER A 41 0.591 3.868 -4.599 1.00 0.00 H new ATOM 0 HA SER A 41 -1.211 6.147 -5.120 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.232 5.508 -6.989 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.236 3.826 -6.836 1.00 0.00 H new ATOM 0 HG SER A 41 -1.416 4.917 -8.508 1.00 0.00 H new ATOM 607 N PHE A 42 -3.204 4.934 -4.300 1.00 0.00 N ATOM 608 CA PHE A 42 -4.444 4.271 -3.912 1.00 0.00 C ATOM 609 C PHE A 42 -5.619 4.793 -4.734 1.00 0.00 C ATOM 610 O PHE A 42 -5.907 5.990 -4.736 1.00 0.00 O ATOM 611 CB PHE A 42 -4.715 4.483 -2.422 1.00 0.00 C ATOM 612 CG PHE A 42 -5.388 5.790 -2.114 1.00 0.00 C ATOM 613 CD1 PHE A 42 -4.680 6.980 -2.177 1.00 0.00 C ATOM 614 CD2 PHE A 42 -6.727 5.830 -1.763 1.00 0.00 C ATOM 615 CE1 PHE A 42 -5.296 8.184 -1.894 1.00 0.00 C ATOM 616 CE2 PHE A 42 -7.349 7.032 -1.480 1.00 0.00 C ATOM 617 CZ PHE A 42 -6.633 8.210 -1.546 1.00 0.00 C ATOM 0 H PHE A 42 -3.165 5.926 -4.065 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.333 3.204 -4.106 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.338 3.668 -2.055 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.771 4.433 -1.879 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.635 6.966 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.292 4.911 -1.710 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.733 9.104 -1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.394 7.049 -1.208 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.117 9.150 -1.326 1.00 0.00 H new ATOM 627 N HIS A 43 -6.295 3.885 -5.432 1.00 0.00 N ATOM 628 CA HIS A 43 -7.439 4.253 -6.258 1.00 0.00 C ATOM 629 C HIS A 43 -8.686 3.483 -5.832 1.00 0.00 C ATOM 630 O HIS A 43 -8.596 2.365 -5.324 1.00 0.00 O ATOM 631 CB HIS A 43 -7.138 3.983 -7.732 1.00 0.00 C ATOM 632 CG HIS A 43 -7.471 2.589 -8.167 1.00 0.00 C ATOM 633 ND1 HIS A 43 -7.233 1.480 -7.383 1.00 0.00 N ATOM 634 CD2 HIS A 43 -8.028 2.127 -9.311 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.627 0.396 -8.027 1.00 0.00 C ATOM 636 NE2 HIS A 43 -8.114 0.761 -9.199 1.00 0.00 N ATOM 0 H HIS A 43 -6.070 2.890 -5.442 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.627 5.318 -6.122 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.699 4.689 -8.344 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.080 4.170 -7.918 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.346 2.722 -10.155 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.562 -0.617 -7.658 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -8.492 0.131 -9.906 1.00 0.00 H new ATOM 645 N THR A 44 -9.851 4.090 -6.042 1.00 0.00 N ATOM 646 CA THR A 44 -11.115 3.463 -5.679 1.00 0.00 C ATOM 647 C THR A 44 -11.749 2.768 -6.878 1.00 0.00 C ATOM 648 O THR A 44 -11.548 3.157 -8.029 1.00 0.00 O ATOM 649 CB THR A 44 -12.110 4.492 -5.111 1.00 0.00 C ATOM 650 OG1 THR A 44 -13.453 4.077 -5.381 1.00 0.00 O ATOM 651 CG2 THR A 44 -11.868 5.868 -5.714 1.00 0.00 C ATOM 0 H THR A 44 -9.944 5.015 -6.462 1.00 0.00 H new ATOM 0 HA THR A 44 -10.891 2.723 -4.911 1.00 0.00 H new ATOM 0 HB THR A 44 -11.960 4.553 -4.033 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.079 4.736 -5.015 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.582 6.578 -5.298 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.854 6.194 -5.481 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.994 5.818 -6.796 1.00 0.00 H new ATOM 659 N PRO A 45 -12.535 1.716 -6.607 1.00 0.00 N ATOM 660 CA PRO A 45 -13.216 0.946 -7.652 1.00 0.00 C ATOM 661 C PRO A 45 -14.338 1.736 -8.316 1.00 0.00 C ATOM 662 O PRO A 45 -14.993 1.249 -9.237 1.00 0.00 O ATOM 663 CB PRO A 45 -13.786 -0.256 -6.893 1.00 0.00 C ATOM 664 CG PRO A 45 -13.940 0.221 -5.490 1.00 0.00 C ATOM 665 CD PRO A 45 -12.820 1.197 -5.258 1.00 0.00 C ATOM 0 HA PRO A 45 -12.540 0.674 -8.463 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.742 -0.571 -7.311 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.115 -1.114 -6.948 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.909 0.698 -5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.885 -0.610 -4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.116 1.993 -4.575 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.947 0.711 -4.822 1.00 0.00 H new ATOM 704 N THR A 49 -7.747 7.562 -9.708 1.00 0.00 N ATOM 705 CA THR A 49 -6.535 7.219 -8.974 1.00 0.00 C ATOM 706 C THR A 49 -5.939 8.445 -8.293 1.00 0.00 C ATOM 707 O THR A 49 -6.083 9.567 -8.779 1.00 0.00 O ATOM 708 CB THR A 49 -5.475 6.594 -9.901 1.00 0.00 C ATOM 709 OG1 THR A 49 -6.015 5.439 -10.554 1.00 0.00 O ATOM 710 CG2 THR A 49 -4.232 6.204 -9.116 1.00 0.00 C ATOM 0 HA THR A 49 -6.820 6.489 -8.216 1.00 0.00 H new ATOM 0 HB THR A 49 -5.195 7.336 -10.649 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.987 5.532 -10.632 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.498 5.765 -9.792 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.807 7.090 -8.644 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.499 5.477 -8.349 1.00 0.00 H new ATOM 718 N GLN A 50 -5.269 8.224 -7.167 1.00 0.00 N ATOM 719 CA GLN A 50 -4.650 9.313 -6.420 1.00 0.00 C ATOM 720 C GLN A 50 -3.228 8.950 -6.006 1.00 0.00 C ATOM 721 O GLN A 50 -3.005 7.939 -5.341 1.00 0.00 O ATOM 722 CB GLN A 50 -5.485 9.649 -5.183 1.00 0.00 C ATOM 723 CG GLN A 50 -4.923 10.800 -4.364 1.00 0.00 C ATOM 724 CD GLN A 50 -5.969 11.457 -3.486 1.00 0.00 C ATOM 725 OE1 GLN A 50 -6.019 11.223 -2.278 1.00 0.00 O ATOM 726 NE2 GLN A 50 -6.813 12.286 -4.090 1.00 0.00 N ATOM 0 H GLN A 50 -5.141 7.301 -6.752 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.607 10.188 -7.069 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.499 9.898 -5.496 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.555 8.764 -4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.109 10.433 -3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.498 11.546 -5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.735 12.451 -5.094 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.539 12.758 -3.550 1.00 0.00 H new ATOM 735 N GLU A 51 -2.271 9.782 -6.404 1.00 0.00 N ATOM 736 CA GLU A 51 -0.870 9.547 -6.074 1.00 0.00 C ATOM 737 C GLU A 51 -0.461 10.343 -4.838 1.00 0.00 C ATOM 738 O GLU A 51 -1.018 11.405 -4.559 1.00 0.00 O ATOM 739 CB GLU A 51 0.026 9.924 -7.256 1.00 0.00 C ATOM 740 CG GLU A 51 -0.123 8.997 -8.451 1.00 0.00 C ATOM 741 CD GLU A 51 0.996 9.165 -9.462 1.00 0.00 C ATOM 742 OE1 GLU A 51 2.175 9.068 -9.063 1.00 0.00 O ATOM 743 OE2 GLU A 51 0.691 9.392 -10.651 1.00 0.00 O ATOM 0 H GLU A 51 -2.440 10.624 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.748 8.486 -5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.205 10.943 -7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.066 9.918 -6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.143 7.964 -8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.079 9.188 -8.938 1.00 0.00 H new ATOM 750 N ILE A 52 0.515 9.822 -4.102 1.00 0.00 N ATOM 751 CA ILE A 52 0.999 10.484 -2.897 1.00 0.00 C ATOM 752 C ILE A 52 2.493 10.245 -2.701 1.00 0.00 C ATOM 753 O ILE A 52 2.931 9.110 -2.511 1.00 0.00 O ATOM 754 CB ILE A 52 0.244 9.998 -1.646 1.00 0.00 C ATOM 755 CG1 ILE A 52 -1.263 10.187 -1.828 1.00 0.00 C ATOM 756 CG2 ILE A 52 0.732 10.741 -0.411 1.00 0.00 C ATOM 757 CD1 ILE A 52 -2.088 9.549 -0.733 1.00 0.00 C ATOM 0 H ILE A 52 0.986 8.944 -4.319 1.00 0.00 H new ATOM 0 HA ILE A 52 0.818 11.551 -3.028 1.00 0.00 H new ATOM 0 HB ILE A 52 0.444 8.935 -1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.485 11.253 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.561 9.766 -2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.189 10.387 0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.798 10.560 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.559 11.810 -0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.146 9.723 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.895 8.477 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.818 9.987 0.228 1.00 0.00 H new ATOM 769 N LEU A 53 3.269 11.322 -2.746 1.00 0.00 N ATOM 770 CA LEU A 53 4.714 11.231 -2.571 1.00 0.00 C ATOM 771 C LEU A 53 5.073 11.018 -1.104 1.00 0.00 C ATOM 772 O LEU A 53 4.905 11.915 -0.276 1.00 0.00 O ATOM 773 CB LEU A 53 5.392 12.498 -3.095 1.00 0.00 C ATOM 774 CG LEU A 53 6.835 12.338 -3.576 1.00 0.00 C ATOM 775 CD1 LEU A 53 7.768 12.110 -2.397 1.00 0.00 C ATOM 776 CD2 LEU A 53 6.941 11.193 -4.572 1.00 0.00 C ATOM 0 H LEU A 53 2.922 12.268 -2.902 1.00 0.00 H new ATOM 0 HA LEU A 53 5.071 10.373 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.797 12.890 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.375 13.248 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 53 7.135 13.258 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.790 11.998 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.714 12.962 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.470 11.206 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.975 11.094 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.622 10.266 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.302 11.398 -5.431 1.00 0.00 H new ATOM 788 N LEU A 54 5.570 9.827 -0.788 1.00 0.00 N ATOM 789 CA LEU A 54 5.955 9.497 0.579 1.00 0.00 C ATOM 790 C LEU A 54 7.421 9.836 0.829 1.00 0.00 C ATOM 791 O LEU A 54 8.246 9.847 -0.085 1.00 0.00 O ATOM 792 CB LEU A 54 5.709 8.012 0.855 1.00 0.00 C ATOM 793 CG LEU A 54 4.305 7.643 1.335 1.00 0.00 C ATOM 794 CD1 LEU A 54 3.383 7.396 0.150 1.00 0.00 C ATOM 795 CD2 LEU A 54 4.355 6.418 2.237 1.00 0.00 C ATOM 0 H LEU A 54 5.716 9.074 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 54 5.343 10.093 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.918 7.454 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.427 7.678 1.604 1.00 0.00 H new ATOM 0 HG LEU A 54 3.908 8.479 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.388 7.135 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.323 8.298 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.777 6.578 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.347 6.170 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.773 5.576 1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.981 6.630 3.104 1.00 0.00 H new ATOM 807 N PRO A 55 7.756 10.118 2.097 1.00 0.00 N ATOM 808 CA PRO A 55 9.124 10.459 2.497 1.00 0.00 C ATOM 809 C PRO A 55 10.069 9.265 2.410 1.00 0.00 C ATOM 810 O PRO A 55 11.182 9.379 1.899 1.00 0.00 O ATOM 811 CB PRO A 55 8.966 10.911 3.951 1.00 0.00 C ATOM 812 CG PRO A 55 7.735 10.221 4.430 1.00 0.00 C ATOM 813 CD PRO A 55 6.824 10.124 3.238 1.00 0.00 C ATOM 0 HA PRO A 55 9.562 11.216 1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.834 10.633 4.549 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.865 11.994 4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.970 9.232 4.823 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.263 10.781 5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.219 9.218 3.267 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.134 10.967 3.189 1.00 0.00 H new ATOM 821 N GLY A 56 9.616 8.120 2.912 1.00 0.00 N ATOM 822 CA GLY A 56 10.434 6.922 2.880 1.00 0.00 C ATOM 823 C GLY A 56 11.043 6.599 4.230 1.00 0.00 C ATOM 824 O GLY A 56 11.704 7.441 4.838 1.00 0.00 O ATOM 0 H GLY A 56 8.698 8.001 3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.827 6.080 2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.230 7.049 2.147 1.00 0.00 H new ATOM 828 N GLY A 57 10.819 5.377 4.702 1.00 0.00 N ATOM 829 CA GLY A 57 11.356 4.968 5.986 1.00 0.00 C ATOM 830 C GLY A 57 10.348 5.111 7.109 1.00 0.00 C ATOM 831 O GLY A 57 10.717 5.370 8.255 1.00 0.00 O ATOM 0 H GLY A 57 10.275 4.663 4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.683 3.930 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.238 5.567 6.215 1.00 0.00 H new ATOM 835 N ILE A 58 9.071 4.945 6.780 1.00 0.00 N ATOM 836 CA ILE A 58 8.007 5.059 7.769 1.00 0.00 C ATOM 837 C ILE A 58 7.326 3.714 8.001 1.00 0.00 C ATOM 838 O ILE A 58 6.877 3.415 9.108 1.00 0.00 O ATOM 839 CB ILE A 58 6.947 6.090 7.340 1.00 0.00 C ATOM 840 CG1 ILE A 58 6.340 5.699 5.990 1.00 0.00 C ATOM 841 CG2 ILE A 58 7.559 7.481 7.268 1.00 0.00 C ATOM 842 CD1 ILE A 58 5.067 6.447 5.661 1.00 0.00 C ATOM 0 H ILE A 58 8.749 4.731 5.836 1.00 0.00 H new ATOM 0 HA ILE A 58 8.473 5.393 8.696 1.00 0.00 H new ATOM 0 HB ILE A 58 6.152 6.102 8.085 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.073 5.882 5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.133 4.629 5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.797 8.198 6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.948 7.759 8.248 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.371 7.484 6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.693 6.120 4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.318 6.244 6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.272 7.517 5.628 1.00 0.00 H new ATOM 854 N THR A 59 7.255 2.903 6.949 1.00 0.00 N ATOM 855 CA THR A 59 6.630 1.590 7.038 1.00 0.00 C ATOM 856 C THR A 59 5.270 1.672 7.721 1.00 0.00 C ATOM 857 O THR A 59 4.818 0.711 8.343 1.00 0.00 O ATOM 858 CB THR A 59 7.520 0.596 7.808 1.00 0.00 C ATOM 859 OG1 THR A 59 7.578 0.961 9.192 1.00 0.00 O ATOM 860 CG2 THR A 59 8.925 0.564 7.227 1.00 0.00 C ATOM 0 H THR A 59 7.623 3.133 6.026 1.00 0.00 H new ATOM 0 HA THR A 59 6.498 1.233 6.017 1.00 0.00 H new ATOM 0 HB THR A 59 7.083 -0.398 7.713 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.066 1.784 9.335 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.534 -0.145 7.787 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.880 0.257 6.182 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.369 1.557 7.294 1.00 0.00 H new ATOM 868 N SER A 60 4.622 2.827 7.601 1.00 0.00 N ATOM 869 CA SER A 60 3.314 3.035 8.211 1.00 0.00 C ATOM 870 C SER A 60 2.741 4.393 7.816 1.00 0.00 C ATOM 871 O SER A 60 3.297 5.438 8.159 1.00 0.00 O ATOM 872 CB SER A 60 3.415 2.935 9.734 1.00 0.00 C ATOM 873 OG SER A 60 4.685 3.370 10.190 1.00 0.00 O ATOM 0 H SER A 60 4.981 3.632 7.088 1.00 0.00 H new ATOM 0 HA SER A 60 2.643 2.257 7.847 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.633 3.539 10.194 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.246 1.904 10.046 1.00 0.00 H new ATOM 0 HG SER A 60 5.369 2.723 9.918 1.00 0.00 H new ATOM 879 N HIS A 61 1.626 4.371 7.093 1.00 0.00 N ATOM 880 CA HIS A 61 0.977 5.600 6.651 1.00 0.00 C ATOM 881 C HIS A 61 -0.535 5.511 6.832 1.00 0.00 C ATOM 882 O HIS A 61 -1.171 4.569 6.360 1.00 0.00 O ATOM 883 CB HIS A 61 1.311 5.880 5.185 1.00 0.00 C ATOM 884 CG HIS A 61 1.351 7.339 4.848 1.00 0.00 C ATOM 885 ND1 HIS A 61 0.991 7.836 3.614 1.00 0.00 N ATOM 886 CD2 HIS A 61 1.710 8.410 5.594 1.00 0.00 C ATOM 887 CE1 HIS A 61 1.129 9.150 3.613 1.00 0.00 C ATOM 888 NE2 HIS A 61 1.564 9.523 4.803 1.00 0.00 N ATOM 0 H HIS A 61 1.153 3.516 6.801 1.00 0.00 H new ATOM 0 HA HIS A 61 1.351 6.420 7.264 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.278 5.434 4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.571 5.389 4.552 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.048 8.392 6.620 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.922 9.807 2.781 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.760 10.483 5.088 1.00 0.00 H new ATOM 897 N GLN A 62 -1.103 6.497 7.520 1.00 0.00 N ATOM 898 CA GLN A 62 -2.540 6.527 7.764 1.00 0.00 C ATOM 899 C GLN A 62 -3.271 7.232 6.626 1.00 0.00 C ATOM 900 O GLN A 62 -3.220 8.457 6.505 1.00 0.00 O ATOM 901 CB GLN A 62 -2.839 7.230 9.090 1.00 0.00 C ATOM 902 CG GLN A 62 -4.306 7.582 9.275 1.00 0.00 C ATOM 903 CD GLN A 62 -5.151 6.382 9.652 1.00 0.00 C ATOM 904 OE1 GLN A 62 -5.331 5.464 8.709 1.00 0.00 O flip ATOM 905 NE2 GLN A 62 -5.638 6.280 10.778 1.00 0.00 N flip ATOM 0 H GLN A 62 -0.591 7.284 7.918 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.895 5.498 7.818 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.522 6.588 9.912 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.245 8.142 9.150 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.398 8.344 10.049 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.690 8.017 8.352 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.474 7.009 11.472 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.205 5.466 11.017 1.00 0.00 H new ATOM 914 N LEU A 63 -3.951 6.452 5.793 1.00 0.00 N ATOM 915 CA LEU A 63 -4.693 7.001 4.663 1.00 0.00 C ATOM 916 C LEU A 63 -5.982 7.667 5.131 1.00 0.00 C ATOM 917 O LEU A 63 -6.768 7.073 5.871 1.00 0.00 O ATOM 918 CB LEU A 63 -5.012 5.898 3.653 1.00 0.00 C ATOM 919 CG LEU A 63 -3.831 5.373 2.835 1.00 0.00 C ATOM 920 CD1 LEU A 63 -4.262 4.202 1.967 1.00 0.00 C ATOM 921 CD2 LEU A 63 -3.239 6.484 1.981 1.00 0.00 C ATOM 0 H LEU A 63 -4.004 5.437 5.879 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.070 7.755 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.457 5.060 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.768 6.273 2.963 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.062 5.023 3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.409 3.842 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.638 3.399 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.049 4.525 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.400 6.093 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.000 6.864 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.892 7.292 2.625 1.00 0.00 H new ATOM 933 N LEU A 64 -6.196 8.903 4.694 1.00 0.00 N ATOM 934 CA LEU A 64 -7.392 9.650 5.065 1.00 0.00 C ATOM 935 C LEU A 64 -8.317 9.830 3.866 1.00 0.00 C ATOM 936 O LEU A 64 -7.924 9.592 2.725 1.00 0.00 O ATOM 937 CB LEU A 64 -7.008 11.017 5.636 1.00 0.00 C ATOM 938 CG LEU A 64 -5.964 11.007 6.754 1.00 0.00 C ATOM 939 CD1 LEU A 64 -5.494 12.422 7.057 1.00 0.00 C ATOM 940 CD2 LEU A 64 -6.529 10.351 8.005 1.00 0.00 C ATOM 0 H LEU A 64 -5.556 9.409 4.082 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.923 9.080 5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.633 11.637 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.911 11.498 6.013 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.106 10.425 6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.752 12.396 7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.050 12.857 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.344 13.028 7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.773 10.353 8.790 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.404 10.906 8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.816 9.324 7.779 1.00 0.00 H new ATOM 952 N GLY A 65 -9.549 10.254 4.132 1.00 0.00 N ATOM 953 CA GLY A 65 -10.509 10.461 3.064 1.00 0.00 C ATOM 954 C GLY A 65 -10.941 9.162 2.414 1.00 0.00 C ATOM 955 O GLY A 65 -10.743 8.963 1.215 1.00 0.00 O ATOM 0 H GLY A 65 -9.899 10.458 5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.385 10.974 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.072 11.114 2.309 1.00 0.00 H new ATOM 959 N LEU A 66 -11.533 8.274 3.205 1.00 0.00 N ATOM 960 CA LEU A 66 -11.993 6.985 2.700 1.00 0.00 C ATOM 961 C LEU A 66 -13.512 6.879 2.782 1.00 0.00 C ATOM 962 O LEU A 66 -14.193 7.834 3.157 1.00 0.00 O ATOM 963 CB LEU A 66 -11.348 5.845 3.490 1.00 0.00 C ATOM 964 CG LEU A 66 -9.819 5.825 3.512 1.00 0.00 C ATOM 965 CD1 LEU A 66 -9.313 4.685 4.382 1.00 0.00 C ATOM 966 CD2 LEU A 66 -9.267 5.705 2.099 1.00 0.00 C ATOM 0 H LEU A 66 -11.706 8.423 4.199 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.697 6.906 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.706 5.895 4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.698 4.899 3.076 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.468 6.764 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.223 4.686 4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.680 4.814 5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.673 3.736 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.178 5.692 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.626 4.781 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.601 6.555 1.504 1.00 0.00 H new ATOM 978 N PHE A 67 -14.039 5.711 2.430 1.00 0.00 N ATOM 979 CA PHE A 67 -15.478 5.479 2.464 1.00 0.00 C ATOM 980 C PHE A 67 -15.813 4.261 3.320 1.00 0.00 C ATOM 981 O PHE A 67 -15.040 3.307 3.416 1.00 0.00 O ATOM 982 CB PHE A 67 -16.019 5.285 1.046 1.00 0.00 C ATOM 983 CG PHE A 67 -15.931 6.520 0.197 1.00 0.00 C ATOM 984 CD1 PHE A 67 -16.294 7.756 0.708 1.00 0.00 C ATOM 985 CD2 PHE A 67 -15.487 6.446 -1.113 1.00 0.00 C ATOM 986 CE1 PHE A 67 -16.215 8.894 -0.072 1.00 0.00 C ATOM 987 CE2 PHE A 67 -15.405 7.581 -1.898 1.00 0.00 C ATOM 988 CZ PHE A 67 -15.769 8.807 -1.376 1.00 0.00 C ATOM 0 H PHE A 67 -13.490 4.910 2.118 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.951 6.354 2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.466 4.481 0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -17.060 4.966 1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.643 7.831 1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -15.201 5.490 -1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.502 9.851 0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -15.057 7.509 -2.918 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.705 9.696 -1.986 1.00 0.00 H new ATOM 998 N PRO A 68 -16.992 4.292 3.957 1.00 0.00 N ATOM 999 CA PRO A 68 -17.457 3.199 4.816 1.00 0.00 C ATOM 1000 C PRO A 68 -17.809 1.946 4.021 1.00 0.00 C ATOM 1001 O PRO A 68 -18.673 1.978 3.145 1.00 0.00 O ATOM 1002 CB PRO A 68 -18.707 3.778 5.483 1.00 0.00 C ATOM 1003 CG PRO A 68 -19.193 4.821 4.536 1.00 0.00 C ATOM 1004 CD PRO A 68 -17.963 5.396 3.888 1.00 0.00 C ATOM 0 HA PRO A 68 -16.689 2.881 5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -19.462 3.008 5.646 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -18.473 4.206 6.458 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -19.862 4.391 3.791 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -19.755 5.593 5.061 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -18.155 5.698 2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.605 6.279 4.418 1.00 0.00 H new ATOM 1012 N SER A 69 -17.134 0.844 4.332 1.00 0.00 N ATOM 1013 CA SER A 69 -17.373 -0.419 3.644 1.00 0.00 C ATOM 1014 C SER A 69 -16.994 -0.315 2.170 1.00 0.00 C ATOM 1015 O SER A 69 -17.636 -0.915 1.307 1.00 0.00 O ATOM 1016 CB SER A 69 -18.842 -0.826 3.777 1.00 0.00 C ATOM 1017 OG SER A 69 -19.062 -2.123 3.249 1.00 0.00 O ATOM 0 H SER A 69 -16.417 0.800 5.056 1.00 0.00 H new ATOM 0 HA SER A 69 -16.748 -1.182 4.109 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.135 -0.803 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.471 -0.106 3.254 1.00 0.00 H new ATOM 0 HG SER A 69 -18.730 -2.162 2.328 1.00 0.00 H new ATOM 1023 N THR A 70 -15.946 0.453 1.888 1.00 0.00 N ATOM 1024 CA THR A 70 -15.481 0.638 0.519 1.00 0.00 C ATOM 1025 C THR A 70 -14.090 0.045 0.326 1.00 0.00 C ATOM 1026 O THR A 70 -13.136 0.445 0.994 1.00 0.00 O ATOM 1027 CB THR A 70 -15.449 2.129 0.133 1.00 0.00 C ATOM 1028 OG1 THR A 70 -16.757 2.697 0.266 1.00 0.00 O ATOM 1029 CG2 THR A 70 -14.956 2.308 -1.294 1.00 0.00 C ATOM 0 H THR A 70 -15.403 0.957 2.590 1.00 0.00 H new ATOM 0 HA THR A 70 -16.188 0.118 -0.128 1.00 0.00 H new ATOM 0 HB THR A 70 -14.760 2.641 0.805 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.987 3.183 -0.553 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.942 3.369 -1.544 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.949 1.901 -1.385 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.623 1.783 -1.978 1.00 0.00 H new ATOM 1037 N SER A 71 -13.980 -0.910 -0.592 1.00 0.00 N ATOM 1038 CA SER A 71 -12.705 -1.560 -0.871 1.00 0.00 C ATOM 1039 C SER A 71 -11.766 -0.617 -1.616 1.00 0.00 C ATOM 1040 O SER A 71 -12.198 0.167 -2.462 1.00 0.00 O ATOM 1041 CB SER A 71 -12.926 -2.832 -1.692 1.00 0.00 C ATOM 1042 OG SER A 71 -11.696 -3.480 -1.968 1.00 0.00 O ATOM 0 H SER A 71 -14.759 -1.251 -1.155 1.00 0.00 H new ATOM 0 HA SER A 71 -12.245 -1.826 0.081 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.584 -3.510 -1.148 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.427 -2.583 -2.627 1.00 0.00 H new ATOM 0 HG SER A 71 -11.864 -4.291 -2.492 1.00 0.00 H new ATOM 1048 N TYR A 72 -10.479 -0.698 -1.296 1.00 0.00 N ATOM 1049 CA TYR A 72 -9.478 0.149 -1.932 1.00 0.00 C ATOM 1050 C TYR A 72 -8.277 -0.674 -2.386 1.00 0.00 C ATOM 1051 O TYR A 72 -8.103 -1.820 -1.972 1.00 0.00 O ATOM 1052 CB TYR A 72 -9.023 1.248 -0.970 1.00 0.00 C ATOM 1053 CG TYR A 72 -9.995 2.401 -0.863 1.00 0.00 C ATOM 1054 CD1 TYR A 72 -9.911 3.489 -1.723 1.00 0.00 C ATOM 1055 CD2 TYR A 72 -11.000 2.401 0.097 1.00 0.00 C ATOM 1056 CE1 TYR A 72 -10.797 4.544 -1.629 1.00 0.00 C ATOM 1057 CE2 TYR A 72 -11.891 3.452 0.197 1.00 0.00 C ATOM 1058 CZ TYR A 72 -11.785 4.521 -0.667 1.00 0.00 C ATOM 1059 OH TYR A 72 -12.670 5.570 -0.571 1.00 0.00 O ATOM 0 H TYR A 72 -10.105 -1.342 -0.599 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.933 0.609 -2.809 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.876 0.815 0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.056 1.629 -1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.139 3.510 -2.478 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.086 1.566 0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.717 5.382 -2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.667 3.436 0.948 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.553 5.282 -0.883 1.00 0.00 H new ATOM 1069 N ASN A 73 -7.450 -0.080 -3.241 1.00 0.00 N ATOM 1070 CA ASN A 73 -6.264 -0.758 -3.752 1.00 0.00 C ATOM 1071 C ASN A 73 -5.025 0.118 -3.591 1.00 0.00 C ATOM 1072 O ASN A 73 -4.816 1.062 -4.353 1.00 0.00 O ATOM 1073 CB ASN A 73 -6.455 -1.123 -5.226 1.00 0.00 C ATOM 1074 CG ASN A 73 -7.088 -2.490 -5.405 1.00 0.00 C ATOM 1075 OD1 ASN A 73 -8.311 -2.617 -5.458 1.00 0.00 O ATOM 1076 ND2 ASN A 73 -6.255 -3.520 -5.499 1.00 0.00 N ATOM 0 H ASN A 73 -7.579 0.868 -3.594 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.120 -1.671 -3.174 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.080 -0.370 -5.706 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.489 -1.104 -5.731 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.623 -4.464 -5.620 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.248 -3.367 -5.450 1.00 0.00 H new ATOM 1083 N ALA A 74 -4.206 -0.202 -2.594 1.00 0.00 N ATOM 1084 CA ALA A 74 -2.987 0.553 -2.334 1.00 0.00 C ATOM 1085 C ALA A 74 -1.789 -0.080 -3.034 1.00 0.00 C ATOM 1086 O ALA A 74 -1.654 -1.303 -3.068 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.735 0.650 -0.837 1.00 0.00 C ATOM 0 H ALA A 74 -4.365 -0.979 -1.953 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.120 1.558 -2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.821 1.217 -0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.574 1.155 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.628 -0.352 -0.420 1.00 0.00 H new ATOM 1093 N ARG A 75 -0.924 0.760 -3.592 1.00 0.00 N ATOM 1094 CA ARG A 75 0.262 0.282 -4.293 1.00 0.00 C ATOM 1095 C ARG A 75 1.500 1.063 -3.862 1.00 0.00 C ATOM 1096 O ARG A 75 1.623 2.256 -4.142 1.00 0.00 O ATOM 1097 CB ARG A 75 0.070 0.403 -5.805 1.00 0.00 C ATOM 1098 CG ARG A 75 0.869 -0.614 -6.604 1.00 0.00 C ATOM 1099 CD ARG A 75 0.838 -0.301 -8.092 1.00 0.00 C ATOM 1100 NE ARG A 75 -0.303 -0.924 -8.759 1.00 0.00 N ATOM 1101 CZ ARG A 75 -0.403 -1.054 -10.077 1.00 0.00 C ATOM 1102 NH1 ARG A 75 0.564 -0.607 -10.866 1.00 0.00 N ATOM 1103 NH2 ARG A 75 -1.473 -1.632 -10.608 1.00 0.00 N ATOM 0 H ARG A 75 -1.022 1.775 -3.572 1.00 0.00 H new ATOM 0 HA ARG A 75 0.408 -0.767 -4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.988 0.286 -6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.357 1.406 -6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.901 -0.623 -6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.465 -1.612 -6.432 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.796 0.779 -8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.762 -0.648 -8.555 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.065 -1.279 -8.181 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.388 -0.162 -10.461 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.484 -0.708 -11.878 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.219 -1.977 -10.004 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.549 -1.732 -11.620 1.00 0.00 H new ATOM 1117 N LEU A 76 2.414 0.382 -3.180 1.00 0.00 N ATOM 1118 CA LEU A 76 3.644 1.012 -2.710 1.00 0.00 C ATOM 1119 C LEU A 76 4.794 0.749 -3.676 1.00 0.00 C ATOM 1120 O LEU A 76 5.127 -0.401 -3.961 1.00 0.00 O ATOM 1121 CB LEU A 76 4.004 0.495 -1.316 1.00 0.00 C ATOM 1122 CG LEU A 76 5.320 1.007 -0.730 1.00 0.00 C ATOM 1123 CD1 LEU A 76 5.118 2.362 -0.069 1.00 0.00 C ATOM 1124 CD2 LEU A 76 5.887 0.006 0.266 1.00 0.00 C ATOM 0 H LEU A 76 2.327 -0.606 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 76 3.476 2.088 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.197 0.760 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.045 -0.594 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 76 6.036 1.124 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.065 2.711 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.758 3.077 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.386 2.270 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.824 0.388 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.174 -0.144 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.070 -0.944 -0.237 1.00 0.00 H new ATOM 1136 N GLN A 77 5.399 1.823 -4.175 1.00 0.00 N ATOM 1137 CA GLN A 77 6.513 1.707 -5.108 1.00 0.00 C ATOM 1138 C GLN A 77 7.671 2.607 -4.687 1.00 0.00 C ATOM 1139 O GLN A 77 7.480 3.791 -4.411 1.00 0.00 O ATOM 1140 CB GLN A 77 6.060 2.067 -6.524 1.00 0.00 C ATOM 1141 CG GLN A 77 6.856 1.368 -7.613 1.00 0.00 C ATOM 1142 CD GLN A 77 6.257 1.564 -8.992 1.00 0.00 C ATOM 1143 OE1 GLN A 77 5.161 2.109 -9.133 1.00 0.00 O ATOM 1144 NE2 GLN A 77 6.974 1.122 -10.018 1.00 0.00 N ATOM 0 H GLN A 77 5.136 2.782 -3.949 1.00 0.00 H new ATOM 0 HA GLN A 77 6.858 0.673 -5.097 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.006 1.812 -6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.143 3.145 -6.660 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.879 1.745 -7.609 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.908 0.302 -7.392 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.877 0.677 -9.855 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.622 1.228 -10.969 1.00 0.00 H new ATOM 1153 N ALA A 78 8.870 2.037 -4.641 1.00 0.00 N ATOM 1154 CA ALA A 78 10.058 2.788 -4.256 1.00 0.00 C ATOM 1155 C ALA A 78 10.846 3.236 -5.482 1.00 0.00 C ATOM 1156 O ALA A 78 10.954 2.502 -6.464 1.00 0.00 O ATOM 1157 CB ALA A 78 10.938 1.951 -3.338 1.00 0.00 C ATOM 0 H ALA A 78 9.044 1.057 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 78 9.735 3.679 -3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.822 2.525 -3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.379 1.686 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.244 1.043 -3.857 1.00 0.00 H new ATOM 1163 N MET A 79 11.394 4.445 -5.419 1.00 0.00 N ATOM 1164 CA MET A 79 12.172 4.990 -6.525 1.00 0.00 C ATOM 1165 C MET A 79 13.635 4.570 -6.420 1.00 0.00 C ATOM 1166 O MET A 79 14.307 4.874 -5.435 1.00 0.00 O ATOM 1167 CB MET A 79 12.068 6.516 -6.548 1.00 0.00 C ATOM 1168 CG MET A 79 10.638 7.029 -6.489 1.00 0.00 C ATOM 1169 SD MET A 79 10.537 8.824 -6.616 1.00 0.00 S ATOM 1170 CE MET A 79 10.431 9.281 -4.887 1.00 0.00 C ATOM 0 H MET A 79 11.314 5.066 -4.614 1.00 0.00 H new ATOM 0 HA MET A 79 11.764 4.592 -7.454 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.626 6.923 -5.705 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.543 6.891 -7.455 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.061 6.579 -7.297 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.180 6.709 -5.553 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.168 10.336 -4.805 1.00 0.00 H new ATOM 0 HE2 MET A 79 9.667 8.677 -4.397 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.394 9.109 -4.405 1.00 0.00 H new ATOM 1180 N TRP A 80 14.120 3.871 -7.439 1.00 0.00 N ATOM 1181 CA TRP A 80 15.503 3.410 -7.460 1.00 0.00 C ATOM 1182 C TRP A 80 16.254 3.994 -8.651 1.00 0.00 C ATOM 1183 O TRP A 80 16.085 3.546 -9.784 1.00 0.00 O ATOM 1184 CB TRP A 80 15.552 1.882 -7.510 1.00 0.00 C ATOM 1185 CG TRP A 80 15.483 1.241 -6.157 1.00 0.00 C ATOM 1186 CD1 TRP A 80 16.514 1.065 -5.279 1.00 0.00 C ATOM 1187 CD2 TRP A 80 14.320 0.689 -5.529 1.00 0.00 C ATOM 1188 NE1 TRP A 80 16.063 0.437 -4.143 1.00 0.00 N ATOM 1189 CE2 TRP A 80 14.721 0.197 -4.271 1.00 0.00 C ATOM 1190 CE3 TRP A 80 12.980 0.565 -5.905 1.00 0.00 C ATOM 1191 CZ2 TRP A 80 13.828 -0.410 -3.391 1.00 0.00 C ATOM 1192 CZ3 TRP A 80 12.096 -0.038 -5.031 1.00 0.00 C ATOM 1193 CH2 TRP A 80 12.523 -0.518 -3.786 1.00 0.00 C ATOM 0 H TRP A 80 13.576 3.611 -8.262 1.00 0.00 H new ATOM 0 HA TRP A 80 15.988 3.753 -6.546 1.00 0.00 H new ATOM 0 HB2 TRP A 80 14.724 1.519 -8.119 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.472 1.571 -8.005 1.00 0.00 H new ATOM 0 HD1 TRP A 80 17.534 1.374 -5.452 1.00 0.00 H new ATOM 0 HE1 TRP A 80 16.635 0.190 -3.336 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.641 0.934 -6.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 14.154 -0.782 -2.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 11.058 -0.141 -5.312 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.807 -0.983 -3.125 1.00 0.00 H new ATOM 1204 N GLY A 81 17.086 4.998 -8.388 1.00 0.00 N ATOM 1205 CA GLY A 81 17.850 5.627 -9.449 1.00 0.00 C ATOM 1206 C GLY A 81 16.991 5.996 -10.642 1.00 0.00 C ATOM 1207 O GLY A 81 16.280 7.000 -10.615 1.00 0.00 O ATOM 0 H GLY A 81 17.244 5.387 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.333 6.524 -9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.643 4.952 -9.771 1.00 0.00 H new ATOM 1211 N GLN A 82 17.057 5.183 -11.691 1.00 0.00 N ATOM 1212 CA GLN A 82 16.280 5.432 -12.900 1.00 0.00 C ATOM 1213 C GLN A 82 15.156 4.411 -13.044 1.00 0.00 C ATOM 1214 O GLN A 82 14.062 4.739 -13.503 1.00 0.00 O ATOM 1215 CB GLN A 82 17.186 5.388 -14.132 1.00 0.00 C ATOM 1216 CG GLN A 82 17.858 6.716 -14.439 1.00 0.00 C ATOM 1217 CD GLN A 82 18.348 6.804 -15.871 1.00 0.00 C ATOM 1218 OE1 GLN A 82 17.663 7.340 -16.742 1.00 0.00 O ATOM 1219 NE2 GLN A 82 19.541 6.276 -16.123 1.00 0.00 N ATOM 0 H GLN A 82 17.640 4.347 -11.729 1.00 0.00 H new ATOM 0 HA GLN A 82 15.837 6.425 -12.819 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.953 4.628 -13.982 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.597 5.080 -14.996 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.155 7.527 -14.249 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.700 6.858 -13.761 1.00 0.00 H new ATOM 0 HE21 GLN A 82 20.075 5.841 -15.371 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.922 6.306 -17.069 1.00 0.00 H new ATOM 1228 N SER A 83 15.433 3.172 -12.650 1.00 0.00 N ATOM 1229 CA SER A 83 14.447 2.103 -12.739 1.00 0.00 C ATOM 1230 C SER A 83 13.402 2.233 -11.635 1.00 0.00 C ATOM 1231 O SER A 83 13.603 2.954 -10.656 1.00 0.00 O ATOM 1232 CB SER A 83 15.133 0.738 -12.649 1.00 0.00 C ATOM 1233 OG SER A 83 15.836 0.441 -13.843 1.00 0.00 O ATOM 0 H SER A 83 16.333 2.884 -12.266 1.00 0.00 H new ATOM 0 HA SER A 83 13.944 2.186 -13.703 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.823 0.729 -11.805 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.388 -0.035 -12.460 1.00 0.00 H new ATOM 0 HG SER A 83 16.267 -0.435 -13.760 1.00 0.00 H new ATOM 1239 N LEU A 84 12.286 1.531 -11.798 1.00 0.00 N ATOM 1240 CA LEU A 84 11.208 1.567 -10.816 1.00 0.00 C ATOM 1241 C LEU A 84 10.772 0.156 -10.435 1.00 0.00 C ATOM 1242 O LEU A 84 9.782 -0.361 -10.955 1.00 0.00 O ATOM 1243 CB LEU A 84 10.016 2.350 -11.367 1.00 0.00 C ATOM 1244 CG LEU A 84 10.217 3.858 -11.521 1.00 0.00 C ATOM 1245 CD1 LEU A 84 9.001 4.495 -12.176 1.00 0.00 C ATOM 1246 CD2 LEU A 84 10.494 4.500 -10.169 1.00 0.00 C ATOM 0 H LEU A 84 12.104 0.930 -12.601 1.00 0.00 H new ATOM 0 HA LEU A 84 11.581 2.066 -9.922 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.755 1.937 -12.341 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.162 2.183 -10.711 1.00 0.00 H new ATOM 0 HG LEU A 84 11.080 4.026 -12.165 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.163 5.568 -12.277 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.847 4.057 -13.162 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.120 4.317 -11.559 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.634 5.573 -10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.651 4.322 -9.502 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.396 4.065 -9.738 1.00 0.00 H new ATOM 1258 N LEU A 85 11.515 -0.461 -9.523 1.00 0.00 N ATOM 1259 CA LEU A 85 11.203 -1.812 -9.069 1.00 0.00 C ATOM 1260 C LEU A 85 9.695 -2.026 -8.990 1.00 0.00 C ATOM 1261 O LEU A 85 8.920 -1.091 -8.791 1.00 0.00 O ATOM 1262 CB LEU A 85 11.839 -2.071 -7.702 1.00 0.00 C ATOM 1263 CG LEU A 85 13.354 -1.885 -7.619 1.00 0.00 C ATOM 1264 CD1 LEU A 85 13.878 -2.358 -6.273 1.00 0.00 C ATOM 1265 CD2 LEU A 85 14.045 -2.628 -8.754 1.00 0.00 C ATOM 0 H LEU A 85 12.337 -0.048 -9.083 1.00 0.00 H new ATOM 0 HA LEU A 85 11.613 -2.516 -9.793 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.372 -1.407 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.602 -3.091 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 85 13.576 -0.822 -7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.958 -2.217 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.408 -1.782 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.645 -3.415 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.123 -2.485 -8.680 1.00 0.00 H new ATOM 0 HD22 LEU A 85 13.815 -3.691 -8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.693 -2.241 -9.710 1.00 0.00 H new ATOM 1277 N PRO A 86 9.267 -3.288 -9.149 1.00 0.00 N ATOM 1278 CA PRO A 86 7.849 -3.655 -9.097 1.00 0.00 C ATOM 1279 C PRO A 86 7.269 -3.530 -7.692 1.00 0.00 C ATOM 1280 O PRO A 86 7.676 -4.227 -6.763 1.00 0.00 O ATOM 1281 CB PRO A 86 7.844 -5.117 -9.550 1.00 0.00 C ATOM 1282 CG PRO A 86 9.205 -5.621 -9.215 1.00 0.00 C ATOM 1283 CD PRO A 86 10.135 -4.453 -9.390 1.00 0.00 C ATOM 0 HA PRO A 86 7.236 -3.001 -9.717 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.072 -5.689 -9.035 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.643 -5.200 -10.618 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.241 -5.998 -8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.487 -6.446 -9.869 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.964 -4.490 -8.683 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.569 -4.431 -10.390 1.00 0.00 H new ATOM 1291 N PRO A 87 6.294 -2.623 -7.532 1.00 0.00 N ATOM 1292 CA PRO A 87 5.637 -2.387 -6.243 1.00 0.00 C ATOM 1293 C PRO A 87 4.752 -3.555 -5.821 1.00 0.00 C ATOM 1294 O PRO A 87 4.862 -4.657 -6.361 1.00 0.00 O ATOM 1295 CB PRO A 87 4.788 -1.140 -6.501 1.00 0.00 C ATOM 1296 CG PRO A 87 4.534 -1.151 -7.969 1.00 0.00 C ATOM 1297 CD PRO A 87 5.759 -1.757 -8.596 1.00 0.00 C ATOM 0 HA PRO A 87 6.358 -2.269 -5.434 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.855 -1.173 -5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.313 -0.234 -6.197 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.645 -1.734 -8.207 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.363 -0.142 -8.343 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.512 -2.327 -9.492 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.478 -0.993 -8.892 1.00 0.00 H new ATOM 1305 N VAL A 88 3.875 -3.309 -4.853 1.00 0.00 N ATOM 1306 CA VAL A 88 2.971 -4.340 -4.360 1.00 0.00 C ATOM 1307 C VAL A 88 1.554 -3.799 -4.203 1.00 0.00 C ATOM 1308 O VAL A 88 1.345 -2.739 -3.614 1.00 0.00 O ATOM 1309 CB VAL A 88 3.446 -4.903 -3.007 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.483 -5.996 -3.218 1.00 0.00 C ATOM 1311 CG2 VAL A 88 4.003 -3.790 -2.133 1.00 0.00 C ATOM 0 H VAL A 88 3.772 -2.404 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 88 2.972 -5.141 -5.099 1.00 0.00 H new ATOM 0 HB VAL A 88 2.590 -5.342 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.807 -6.382 -2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.045 -6.805 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.341 -5.586 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.334 -4.206 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.848 -3.320 -2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.227 -3.045 -1.954 1.00 0.00 H new ATOM 1321 N SER A 89 0.583 -4.536 -4.734 1.00 0.00 N ATOM 1322 CA SER A 89 -0.815 -4.129 -4.656 1.00 0.00 C ATOM 1323 C SER A 89 -1.601 -5.059 -3.737 1.00 0.00 C ATOM 1324 O SER A 89 -1.475 -6.281 -3.814 1.00 0.00 O ATOM 1325 CB SER A 89 -1.444 -4.121 -6.051 1.00 0.00 C ATOM 1326 OG SER A 89 -1.543 -5.434 -6.573 1.00 0.00 O ATOM 0 H SER A 89 0.739 -5.418 -5.223 1.00 0.00 H new ATOM 0 HA SER A 89 -0.852 -3.121 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.435 -3.669 -6.004 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.844 -3.504 -6.720 1.00 0.00 H new ATOM 0 HG SER A 89 -1.950 -5.402 -7.464 1.00 0.00 H new ATOM 1332 N THR A 90 -2.414 -4.470 -2.865 1.00 0.00 N ATOM 1333 CA THR A 90 -3.221 -5.244 -1.929 1.00 0.00 C ATOM 1334 C THR A 90 -4.626 -4.667 -1.808 1.00 0.00 C ATOM 1335 O THR A 90 -4.839 -3.474 -2.023 1.00 0.00 O ATOM 1336 CB THR A 90 -2.573 -5.287 -0.532 1.00 0.00 C ATOM 1337 OG1 THR A 90 -3.017 -6.449 0.177 1.00 0.00 O ATOM 1338 CG2 THR A 90 -2.919 -4.038 0.264 1.00 0.00 C ATOM 0 H THR A 90 -2.531 -3.460 -2.788 1.00 0.00 H new ATOM 0 HA THR A 90 -3.281 -6.258 -2.325 1.00 0.00 H new ATOM 0 HB THR A 90 -1.491 -5.329 -0.658 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.600 -6.471 1.063 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.450 -4.091 1.247 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.555 -3.157 -0.265 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.000 -3.969 0.381 1.00 0.00 H new ATOM 1346 N SER A 91 -5.584 -5.521 -1.461 1.00 0.00 N ATOM 1347 CA SER A 91 -6.971 -5.097 -1.314 1.00 0.00 C ATOM 1348 C SER A 91 -7.400 -5.141 0.150 1.00 0.00 C ATOM 1349 O SER A 91 -7.143 -6.117 0.855 1.00 0.00 O ATOM 1350 CB SER A 91 -7.890 -5.985 -2.153 1.00 0.00 C ATOM 1351 OG SER A 91 -7.746 -7.349 -1.798 1.00 0.00 O ATOM 0 H SER A 91 -5.424 -6.511 -1.276 1.00 0.00 H new ATOM 0 HA SER A 91 -7.050 -4.069 -1.667 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.926 -5.677 -2.012 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.660 -5.855 -3.210 1.00 0.00 H new ATOM 0 HG SER A 91 -8.346 -7.895 -2.348 1.00 0.00 H new ATOM 1357 N PHE A 92 -8.055 -4.076 0.600 1.00 0.00 N ATOM 1358 CA PHE A 92 -8.519 -3.991 1.980 1.00 0.00 C ATOM 1359 C PHE A 92 -9.873 -3.291 2.056 1.00 0.00 C ATOM 1360 O PHE A 92 -10.098 -2.274 1.399 1.00 0.00 O ATOM 1361 CB PHE A 92 -7.498 -3.243 2.839 1.00 0.00 C ATOM 1362 CG PHE A 92 -7.338 -1.799 2.460 1.00 0.00 C ATOM 1363 CD1 PHE A 92 -6.407 -1.419 1.506 1.00 0.00 C ATOM 1364 CD2 PHE A 92 -8.117 -0.821 3.057 1.00 0.00 C ATOM 1365 CE1 PHE A 92 -6.257 -0.090 1.154 1.00 0.00 C ATOM 1366 CE2 PHE A 92 -7.972 0.508 2.709 1.00 0.00 C ATOM 1367 CZ PHE A 92 -7.040 0.874 1.757 1.00 0.00 C ATOM 0 H PHE A 92 -8.276 -3.260 0.029 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.631 -5.006 2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.800 -3.304 3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.532 -3.741 2.757 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.792 -2.169 1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.846 -1.101 3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.529 0.193 0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.587 1.260 3.181 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.924 1.913 1.485 1.00 0.00 H new ATOM 1377 N THR A 93 -10.775 -3.845 2.861 1.00 0.00 N ATOM 1378 CA THR A 93 -12.107 -3.277 3.022 1.00 0.00 C ATOM 1379 C THR A 93 -12.233 -2.539 4.350 1.00 0.00 C ATOM 1380 O THR A 93 -11.773 -3.020 5.386 1.00 0.00 O ATOM 1381 CB THR A 93 -13.195 -4.365 2.947 1.00 0.00 C ATOM 1382 OG1 THR A 93 -13.027 -5.145 1.758 1.00 0.00 O ATOM 1383 CG2 THR A 93 -14.583 -3.744 2.961 1.00 0.00 C ATOM 0 H THR A 93 -10.606 -4.687 3.412 1.00 0.00 H new ATOM 0 HA THR A 93 -12.251 -2.573 2.203 1.00 0.00 H new ATOM 0 HB THR A 93 -13.094 -5.009 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.721 -5.835 1.719 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.335 -4.532 2.907 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.718 -3.176 3.881 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.693 -3.079 2.104 1.00 0.00 H new ATOM 1391 N THR A 94 -12.860 -1.367 4.314 1.00 0.00 N ATOM 1392 CA THR A 94 -13.047 -0.562 5.515 1.00 0.00 C ATOM 1393 C THR A 94 -14.278 -1.012 6.292 1.00 0.00 C ATOM 1394 O THR A 94 -15.243 -1.510 5.713 1.00 0.00 O ATOM 1395 CB THR A 94 -13.187 0.933 5.172 1.00 0.00 C ATOM 1396 OG1 THR A 94 -14.376 1.151 4.405 1.00 0.00 O ATOM 1397 CG2 THR A 94 -11.977 1.425 4.393 1.00 0.00 C ATOM 0 H THR A 94 -13.247 -0.954 3.465 1.00 0.00 H new ATOM 0 HA THR A 94 -12.160 -0.704 6.133 1.00 0.00 H new ATOM 0 HB THR A 94 -13.250 1.493 6.105 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.409 2.085 4.110 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.099 2.483 4.162 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.077 1.285 4.992 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.887 0.859 3.466 1.00 0.00 H new ATOM 1405 N GLY A 95 -14.240 -0.832 7.609 1.00 0.00 N ATOM 1406 CA GLY A 95 -15.360 -1.224 8.444 1.00 0.00 C ATOM 1407 C GLY A 95 -16.604 -0.403 8.169 1.00 0.00 C ATOM 1408 O GLY A 95 -16.904 -0.084 7.019 1.00 0.00 O ATOM 0 H GLY A 95 -13.453 -0.422 8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.581 -2.279 8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.082 -1.117 9.493 1.00 0.00 H new ATOM 1412 N GLY A 96 -17.332 -0.060 9.227 1.00 0.00 N ATOM 1413 CA GLY A 96 -18.543 0.724 9.072 1.00 0.00 C ATOM 1414 C GLY A 96 -18.714 1.751 10.174 1.00 0.00 C ATOM 1415 O GLY A 96 -18.473 1.461 11.346 1.00 0.00 O ATOM 0 H GLY A 96 -17.105 -0.311 10.189 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -18.523 1.231 8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.405 0.057 9.064 1.00 0.00 H new ATOM 1419 N LEU A 97 -19.128 2.956 9.798 1.00 0.00 N ATOM 1420 CA LEU A 97 -19.329 4.032 10.762 1.00 0.00 C ATOM 1421 C LEU A 97 -20.355 3.632 11.818 1.00 0.00 C ATOM 1422 O LEU A 97 -21.561 3.675 11.574 1.00 0.00 O ATOM 1423 CB LEU A 97 -19.785 5.305 10.048 1.00 0.00 C ATOM 1424 CG LEU A 97 -18.834 5.857 8.986 1.00 0.00 C ATOM 1425 CD1 LEU A 97 -19.537 6.897 8.128 1.00 0.00 C ATOM 1426 CD2 LEU A 97 -17.593 6.450 9.638 1.00 0.00 C ATOM 0 H LEU A 97 -19.331 3.212 8.832 1.00 0.00 H new ATOM 0 HA LEU A 97 -18.378 4.223 11.259 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -20.748 5.108 9.577 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -19.949 6.079 10.798 1.00 0.00 H new ATOM 0 HG LEU A 97 -18.523 5.035 8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -18.844 7.278 7.378 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -20.394 6.441 7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -19.878 7.719 8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -16.927 6.838 8.867 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -17.885 7.260 10.307 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.077 5.677 10.208 1.00 0.00 H new