USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 651 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 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 20 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 21 SER OG : rot 180:sc=-0.00419 USER MOD Set 2.1: A 8 GLN : amide:sc= 0.959 K(o=1.8,f=1.1) USER MOD Set 2.2: A 89 THR OG1 : rot 178:sc= 0.825 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 80:sc= 1.24 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 125:sc= 1.02 USER MOD Single : A 40 THR OG1 : rot -140:sc= 0.0211 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0444 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 24:sc= 1.15 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 43:sc= 0.15 USER MOD Single : A 76 SER OG : rot 180:sc= -0.069 USER MOD Single : A 79 THR OG1 : rot 100:sc= -0.173 USER MOD Single : A 82 ASN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 86 SER OG : rot -137:sc= 0.331 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 92 THR OG1 : rot -81:sc= 0.146 USER MOD Single : A 93 GLN : amide:sc=-0.00069 X(o=-0.00069,f=-0.1) USER MOD Single : A 94 GLN : amide:sc=-0.00551 X(o=-0.0055,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N VAL A 6 -14.521 6.744 3.297 1.00 0.00 N ATOM 78 CA VAL A 6 -13.222 7.378 3.137 1.00 0.00 C ATOM 79 C VAL A 6 -12.691 6.996 1.741 1.00 0.00 C ATOM 80 O VAL A 6 -12.703 5.805 1.400 1.00 0.00 O ATOM 81 CB VAL A 6 -12.300 6.919 4.286 1.00 0.00 C ATOM 82 CG1 VAL A 6 -10.885 7.490 4.147 1.00 0.00 C ATOM 83 CG2 VAL A 6 -12.853 7.338 5.659 1.00 0.00 C ATOM 0 HA VAL A 6 -13.276 8.465 3.193 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.261 5.832 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.269 7.142 4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.449 7.156 3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.929 8.579 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.177 6.997 6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.939 8.424 5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.836 6.890 5.808 1.00 0.00 H new ATOM 93 N PRO A 7 -12.161 7.944 0.945 1.00 0.00 N ATOM 94 CA PRO A 7 -11.592 7.628 -0.357 1.00 0.00 C ATOM 95 C PRO A 7 -10.300 6.826 -0.176 1.00 0.00 C ATOM 96 O PRO A 7 -9.451 7.170 0.654 1.00 0.00 O ATOM 97 CB PRO A 7 -11.385 8.966 -1.072 1.00 0.00 C ATOM 98 CG PRO A 7 -11.354 10.003 0.049 1.00 0.00 C ATOM 99 CD PRO A 7 -12.203 9.383 1.157 1.00 0.00 C ATOM 0 HA PRO A 7 -12.244 6.999 -0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.456 8.971 -1.642 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.192 9.168 -1.776 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.335 10.193 0.387 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.764 10.958 -0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.810 9.643 2.140 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.228 9.753 1.115 1.00 0.00 H new ATOM 107 N GLN A 8 -10.149 5.742 -0.934 1.00 0.00 N ATOM 108 CA GLN A 8 -8.960 4.903 -0.989 1.00 0.00 C ATOM 109 C GLN A 8 -8.138 5.290 -2.210 1.00 0.00 C ATOM 110 O GLN A 8 -8.650 5.982 -3.095 1.00 0.00 O ATOM 111 CB GLN A 8 -9.392 3.429 -1.012 1.00 0.00 C ATOM 112 CG GLN A 8 -9.970 2.983 -2.361 1.00 0.00 C ATOM 113 CD GLN A 8 -10.903 1.797 -2.162 1.00 0.00 C ATOM 114 OE1 GLN A 8 -12.068 1.977 -1.813 1.00 0.00 O ATOM 115 NE2 GLN A 8 -10.408 0.587 -2.320 1.00 0.00 N ATOM 0 H GLN A 8 -10.888 5.412 -1.554 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.332 5.049 -0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.534 2.803 -0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.137 3.265 -0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.511 3.808 -2.825 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.162 2.710 -3.040 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.438 0.467 -2.610 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.995 -0.230 -2.152 1.00 0.00 H new ATOM 124 N LEU A 9 -6.893 4.818 -2.272 1.00 0.00 N ATOM 125 CA LEU A 9 -6.016 5.052 -3.408 1.00 0.00 C ATOM 126 C LEU A 9 -6.520 4.256 -4.601 1.00 0.00 C ATOM 127 O LEU A 9 -6.160 3.103 -4.809 1.00 0.00 O ATOM 128 CB LEU A 9 -4.564 4.710 -3.061 1.00 0.00 C ATOM 129 CG LEU A 9 -3.960 5.738 -2.094 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.619 5.220 -1.587 1.00 0.00 C ATOM 131 CD2 LEU A 9 -3.804 7.123 -2.723 1.00 0.00 C ATOM 0 H LEU A 9 -6.467 4.261 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.032 6.110 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.520 3.717 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.969 4.674 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.652 5.860 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.185 5.946 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.767 4.273 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.945 5.070 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.372 7.808 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.148 7.057 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.781 7.493 -3.035 1.00 0.00 H new ATOM 143 N THR A 10 -7.410 4.872 -5.361 1.00 0.00 N ATOM 144 CA THR A 10 -8.098 4.241 -6.472 1.00 0.00 C ATOM 145 C THR A 10 -7.170 4.042 -7.689 1.00 0.00 C ATOM 146 O THR A 10 -7.531 3.284 -8.585 1.00 0.00 O ATOM 147 CB THR A 10 -9.364 5.069 -6.758 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.049 5.351 -5.538 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.366 4.347 -7.657 1.00 0.00 C ATOM 0 H THR A 10 -7.679 5.845 -5.219 1.00 0.00 H new ATOM 0 HA THR A 10 -8.403 3.225 -6.221 1.00 0.00 H new ATOM 0 HB THR A 10 -9.016 5.972 -7.260 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.852 5.879 -5.728 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.235 4.985 -7.819 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.898 4.121 -8.615 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.681 3.419 -7.179 1.00 0.00 H new ATOM 157 N ASP A 11 -5.969 4.643 -7.714 1.00 0.00 N ATOM 158 CA ASP A 11 -4.942 4.388 -8.738 1.00 0.00 C ATOM 159 C ASP A 11 -3.803 3.509 -8.206 1.00 0.00 C ATOM 160 O ASP A 11 -2.729 3.457 -8.800 1.00 0.00 O ATOM 161 CB ASP A 11 -4.416 5.706 -9.338 1.00 0.00 C ATOM 162 CG ASP A 11 -3.616 5.509 -10.637 1.00 0.00 C ATOM 163 OD1 ASP A 11 -4.146 4.822 -11.546 1.00 0.00 O ATOM 164 OD2 ASP A 11 -2.515 6.094 -10.778 1.00 0.00 O ATOM 0 H ASP A 11 -5.680 5.328 -7.015 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.418 3.827 -9.542 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.259 6.368 -9.536 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.784 6.205 -8.603 1.00 0.00 H new ATOM 169 N LEU A 12 -3.990 2.854 -7.052 1.00 0.00 N ATOM 170 CA LEU A 12 -2.970 2.013 -6.421 1.00 0.00 C ATOM 171 C LEU A 12 -2.507 0.909 -7.374 1.00 0.00 C ATOM 172 O LEU A 12 -3.265 -0.025 -7.662 1.00 0.00 O ATOM 173 CB LEU A 12 -3.494 1.468 -5.079 1.00 0.00 C ATOM 174 CG LEU A 12 -2.491 0.714 -4.187 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.239 -0.735 -4.611 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.171 1.484 -4.052 1.00 0.00 C ATOM 0 H LEU A 12 -4.863 2.895 -6.527 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.088 2.615 -6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.892 2.306 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.329 0.799 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.967 0.657 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.521 -1.194 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.176 -1.292 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.840 -0.753 -5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.486 0.923 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.725 1.617 -5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.363 2.460 -3.607 1.00 0.00 H new ATOM 188 N SER A 13 -1.273 1.034 -7.864 1.00 0.00 N ATOM 189 CA SER A 13 -0.686 0.233 -8.927 1.00 0.00 C ATOM 190 C SER A 13 0.740 -0.160 -8.561 1.00 0.00 C ATOM 191 O SER A 13 1.433 0.618 -7.906 1.00 0.00 O ATOM 192 CB SER A 13 -0.720 1.052 -10.227 1.00 0.00 C ATOM 193 OG SER A 13 -2.038 1.469 -10.533 1.00 0.00 O ATOM 0 H SER A 13 -0.625 1.736 -7.507 1.00 0.00 H new ATOM 0 HA SER A 13 -1.254 -0.687 -9.066 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.073 1.924 -10.128 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.325 0.453 -11.048 1.00 0.00 H new ATOM 0 HG SER A 13 -2.265 2.256 -9.995 1.00 0.00 H new ATOM 199 N PHE A 14 1.196 -1.348 -8.968 1.00 0.00 N ATOM 200 CA PHE A 14 2.565 -1.802 -8.757 1.00 0.00 C ATOM 201 C PHE A 14 3.263 -1.860 -10.112 1.00 0.00 C ATOM 202 O PHE A 14 2.635 -2.163 -11.133 1.00 0.00 O ATOM 203 CB PHE A 14 2.557 -3.195 -8.117 1.00 0.00 C ATOM 204 CG PHE A 14 1.815 -3.357 -6.795 1.00 0.00 C ATOM 205 CD1 PHE A 14 1.480 -2.250 -5.981 1.00 0.00 C ATOM 206 CD2 PHE A 14 1.542 -4.657 -6.328 1.00 0.00 C ATOM 207 CE1 PHE A 14 0.828 -2.437 -4.753 1.00 0.00 C ATOM 208 CE2 PHE A 14 0.921 -4.840 -5.082 1.00 0.00 C ATOM 209 CZ PHE A 14 0.532 -3.729 -4.319 1.00 0.00 C ATOM 0 H PHE A 14 0.614 -2.027 -9.459 1.00 0.00 H new ATOM 0 HA PHE A 14 3.091 -1.116 -8.092 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.123 -3.892 -8.834 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.592 -3.500 -7.962 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.729 -1.251 -6.308 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.810 -5.514 -6.928 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.557 -1.585 -4.147 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.742 -5.838 -4.710 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.000 -3.875 -3.390 1.00 0.00 H new ATOM 219 N VAL A 15 4.545 -1.539 -10.133 1.00 0.00 N ATOM 220 CA VAL A 15 5.452 -1.492 -11.269 1.00 0.00 C ATOM 221 C VAL A 15 6.853 -1.905 -10.779 1.00 0.00 C ATOM 222 O VAL A 15 7.041 -2.154 -9.586 1.00 0.00 O ATOM 223 CB VAL A 15 5.431 -0.071 -11.885 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.250 0.060 -12.855 1.00 0.00 C ATOM 225 CG2 VAL A 15 5.418 1.100 -10.887 1.00 0.00 C ATOM 0 H VAL A 15 5.024 -1.279 -9.271 1.00 0.00 H new ATOM 0 HA VAL A 15 5.147 -2.183 -12.055 1.00 0.00 H new ATOM 0 HB VAL A 15 6.386 0.018 -12.402 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.241 1.062 -13.284 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.351 -0.676 -13.653 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.317 -0.113 -12.318 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.404 2.043 -11.433 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.531 1.032 -10.257 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.310 1.056 -10.263 1.00 0.00 H new ATOM 235 N ASP A 16 7.836 -1.967 -11.690 1.00 0.00 N ATOM 236 CA ASP A 16 9.253 -2.213 -11.416 1.00 0.00 C ATOM 237 C ASP A 16 9.387 -3.398 -10.468 1.00 0.00 C ATOM 238 O ASP A 16 9.999 -3.298 -9.407 1.00 0.00 O ATOM 239 CB ASP A 16 9.960 -0.947 -10.894 1.00 0.00 C ATOM 240 CG ASP A 16 10.310 0.039 -12.000 1.00 0.00 C ATOM 241 OD1 ASP A 16 11.261 -0.237 -12.766 1.00 0.00 O ATOM 242 OD2 ASP A 16 9.723 1.144 -12.041 1.00 0.00 O ATOM 0 H ASP A 16 7.651 -1.840 -12.685 1.00 0.00 H new ATOM 0 HA ASP A 16 9.760 -2.468 -12.347 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.317 -0.453 -10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.872 -1.236 -10.371 1.00 0.00 H new ATOM 247 N ILE A 17 8.732 -4.507 -10.815 1.00 0.00 N ATOM 248 CA ILE A 17 8.604 -5.689 -9.970 1.00 0.00 C ATOM 249 C ILE A 17 9.885 -6.496 -10.204 1.00 0.00 C ATOM 250 O ILE A 17 9.892 -7.519 -10.892 1.00 0.00 O ATOM 251 CB ILE A 17 7.278 -6.427 -10.298 1.00 0.00 C ATOM 252 CG1 ILE A 17 6.067 -5.458 -10.213 1.00 0.00 C ATOM 253 CG2 ILE A 17 7.056 -7.641 -9.372 1.00 0.00 C ATOM 254 CD1 ILE A 17 4.764 -6.027 -10.775 1.00 0.00 C ATOM 0 H ILE A 17 8.265 -4.608 -11.716 1.00 0.00 H new ATOM 0 HA ILE A 17 8.525 -5.472 -8.905 1.00 0.00 H new ATOM 0 HB ILE A 17 7.360 -6.796 -11.320 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.909 -5.183 -9.170 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.311 -4.542 -10.751 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.118 -8.131 -9.633 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.879 -8.346 -9.492 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.014 -7.305 -8.336 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.971 -5.286 -10.676 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.900 -6.275 -11.828 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.491 -6.926 -10.222 1.00 0.00 H new ATOM 266 N THR A 18 11.012 -5.920 -9.799 1.00 0.00 N ATOM 267 CA THR A 18 12.322 -6.554 -9.827 1.00 0.00 C ATOM 268 C THR A 18 12.529 -7.333 -8.523 1.00 0.00 C ATOM 269 O THR A 18 11.925 -7.032 -7.500 1.00 0.00 O ATOM 270 CB THR A 18 13.395 -5.473 -10.077 1.00 0.00 C ATOM 271 OG1 THR A 18 14.686 -6.041 -10.172 1.00 0.00 O ATOM 272 CG2 THR A 18 13.437 -4.375 -9.012 1.00 0.00 C ATOM 0 H THR A 18 11.038 -4.969 -9.431 1.00 0.00 H new ATOM 0 HA THR A 18 12.402 -7.275 -10.640 1.00 0.00 H new ATOM 0 HB THR A 18 13.102 -5.014 -11.021 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.344 -5.333 -10.332 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.217 -3.656 -9.262 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.473 -3.867 -8.975 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.651 -4.819 -8.040 1.00 0.00 H new ATOM 280 N ASP A 19 13.488 -8.254 -8.502 1.00 0.00 N ATOM 281 CA ASP A 19 13.798 -9.126 -7.365 1.00 0.00 C ATOM 282 C ASP A 19 14.505 -8.355 -6.250 1.00 0.00 C ATOM 283 O ASP A 19 14.791 -8.909 -5.190 1.00 0.00 O ATOM 284 CB ASP A 19 14.722 -10.263 -7.822 1.00 0.00 C ATOM 285 CG ASP A 19 14.229 -11.010 -9.053 1.00 0.00 C ATOM 286 OD1 ASP A 19 14.293 -10.444 -10.176 1.00 0.00 O ATOM 287 OD2 ASP A 19 13.796 -12.175 -8.918 1.00 0.00 O ATOM 0 H ASP A 19 14.095 -8.423 -9.304 1.00 0.00 H new ATOM 0 HA ASP A 19 12.856 -9.522 -6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.710 -9.852 -8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.839 -10.972 -7.003 1.00 0.00 H new ATOM 292 N SER A 20 14.774 -7.072 -6.476 1.00 0.00 N ATOM 293 CA SER A 20 15.526 -6.190 -5.615 1.00 0.00 C ATOM 294 C SER A 20 14.677 -5.160 -4.889 1.00 0.00 C ATOM 295 O SER A 20 15.112 -4.617 -3.879 1.00 0.00 O ATOM 296 CB SER A 20 16.668 -5.609 -6.457 1.00 0.00 C ATOM 297 OG SER A 20 16.183 -4.658 -7.396 1.00 0.00 O ATOM 0 H SER A 20 14.449 -6.600 -7.320 1.00 0.00 H new ATOM 0 HA SER A 20 15.945 -6.749 -4.778 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.401 -5.137 -5.803 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.181 -6.414 -6.983 1.00 0.00 H new ATOM 0 HG SER A 20 16.932 -4.302 -7.918 1.00 0.00 H new ATOM 303 N SER A 21 13.439 -4.943 -5.325 1.00 0.00 N ATOM 304 CA SER A 21 12.517 -3.936 -4.820 1.00 0.00 C ATOM 305 C SER A 21 11.232 -3.947 -5.645 1.00 0.00 C ATOM 306 O SER A 21 11.298 -4.229 -6.839 1.00 0.00 O ATOM 307 CB SER A 21 13.154 -2.538 -4.928 1.00 0.00 C ATOM 308 OG SER A 21 13.985 -2.412 -6.079 1.00 0.00 O ATOM 0 H SER A 21 13.033 -5.495 -6.080 1.00 0.00 H new ATOM 0 HA SER A 21 12.293 -4.163 -3.778 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.368 -1.784 -4.966 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.743 -2.339 -4.033 1.00 0.00 H new ATOM 0 HG SER A 21 14.367 -1.510 -6.109 1.00 0.00 H new ATOM 314 N ILE A 22 10.112 -3.506 -5.076 1.00 0.00 N ATOM 315 CA ILE A 22 8.821 -3.420 -5.783 1.00 0.00 C ATOM 316 C ILE A 22 8.428 -1.933 -5.760 1.00 0.00 C ATOM 317 O ILE A 22 8.499 -1.308 -4.696 1.00 0.00 O ATOM 318 CB ILE A 22 7.827 -4.444 -5.146 1.00 0.00 C ATOM 319 CG1 ILE A 22 7.046 -5.383 -6.097 1.00 0.00 C ATOM 320 CG2 ILE A 22 6.893 -3.845 -4.092 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.563 -5.097 -6.388 1.00 0.00 C ATOM 0 H ILE A 22 10.067 -3.195 -4.106 1.00 0.00 H new ATOM 0 HA ILE A 22 8.840 -3.714 -6.832 1.00 0.00 H new ATOM 0 HB ILE A 22 8.541 -5.100 -4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.571 -5.392 -7.052 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.111 -6.391 -5.688 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.237 -4.624 -3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.484 -3.427 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.291 -3.057 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.174 -5.852 -7.072 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.997 -5.125 -5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.465 -4.111 -6.842 1.00 0.00 H new ATOM 333 N GLY A 23 8.083 -1.326 -6.905 1.00 0.00 N ATOM 334 CA GLY A 23 7.806 0.111 -6.963 1.00 0.00 C ATOM 335 C GLY A 23 6.318 0.356 -7.114 1.00 0.00 C ATOM 336 O GLY A 23 5.678 -0.221 -7.986 1.00 0.00 O ATOM 0 H GLY A 23 7.990 -1.809 -7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.171 0.595 -6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.342 0.558 -7.801 1.00 0.00 H new ATOM 340 N LEU A 24 5.762 1.270 -6.330 1.00 0.00 N ATOM 341 CA LEU A 24 4.330 1.497 -6.232 1.00 0.00 C ATOM 342 C LEU A 24 4.034 2.830 -6.873 1.00 0.00 C ATOM 343 O LEU A 24 4.739 3.806 -6.599 1.00 0.00 O ATOM 344 CB LEU A 24 3.877 1.629 -4.774 1.00 0.00 C ATOM 345 CG LEU A 24 4.153 0.417 -3.868 1.00 0.00 C ATOM 346 CD1 LEU A 24 5.325 0.680 -2.933 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.900 0.047 -3.077 1.00 0.00 C ATOM 0 H LEU A 24 6.309 1.888 -5.731 1.00 0.00 H new ATOM 0 HA LEU A 24 3.821 0.658 -6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.367 2.501 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.805 1.828 -4.764 1.00 0.00 H new ATOM 0 HG LEU A 24 4.423 -0.425 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.494 -0.196 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.220 0.884 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.101 1.540 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.112 -0.812 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.598 0.892 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.094 -0.203 -3.767 1.00 0.00 H new ATOM 359 N ARG A 25 2.908 2.956 -7.568 1.00 0.00 N ATOM 360 CA ARG A 25 2.409 4.253 -7.998 1.00 0.00 C ATOM 361 C ARG A 25 0.985 4.400 -7.474 1.00 0.00 C ATOM 362 O ARG A 25 0.264 3.406 -7.373 1.00 0.00 O ATOM 363 CB ARG A 25 2.502 4.307 -9.531 1.00 0.00 C ATOM 364 CG ARG A 25 2.344 5.731 -10.071 1.00 0.00 C ATOM 365 CD ARG A 25 2.359 5.752 -11.606 1.00 0.00 C ATOM 366 NE ARG A 25 1.292 6.628 -12.097 1.00 0.00 N ATOM 367 CZ ARG A 25 0.885 6.801 -13.353 1.00 0.00 C ATOM 368 NH1 ARG A 25 1.573 6.329 -14.390 1.00 0.00 N ATOM 369 NH2 ARG A 25 -0.240 7.483 -13.530 1.00 0.00 N ATOM 0 H ARG A 25 2.322 2.169 -7.846 1.00 0.00 H new ATOM 0 HA ARG A 25 2.991 5.087 -7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.464 3.904 -9.849 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.731 3.669 -9.963 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.409 6.158 -9.709 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.149 6.358 -9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.326 6.104 -11.965 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.222 4.743 -11.995 1.00 0.00 H new ATOM 0 HE ARG A 25 0.800 7.173 -11.389 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.441 5.816 -14.235 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.232 6.480 -15.339 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.748 7.846 -12.724 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.596 7.644 -14.472 1.00 0.00 H new ATOM 383 N TRP A 26 0.569 5.615 -7.126 1.00 0.00 N ATOM 384 CA TRP A 26 -0.844 5.929 -6.905 1.00 0.00 C ATOM 385 C TRP A 26 -1.109 7.399 -7.257 1.00 0.00 C ATOM 386 O TRP A 26 -0.249 8.056 -7.848 1.00 0.00 O ATOM 387 CB TRP A 26 -1.263 5.520 -5.479 1.00 0.00 C ATOM 388 CG TRP A 26 -0.486 6.110 -4.345 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.700 7.315 -3.769 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.603 5.500 -3.585 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.214 7.515 -2.769 1.00 0.00 N ATOM 392 CE2 TRP A 26 1.062 6.450 -2.629 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.231 4.234 -3.569 1.00 0.00 C ATOM 394 CZ2 TRP A 26 2.112 6.187 -1.744 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.298 3.962 -2.685 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.773 4.951 -1.806 1.00 0.00 C ATOM 0 H TRP A 26 1.197 6.407 -6.989 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.480 5.345 -7.570 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.312 5.786 -5.345 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.198 4.434 -5.405 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.473 8.013 -4.054 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.258 8.358 -2.196 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.890 3.463 -4.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.412 6.929 -1.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.754 2.983 -2.684 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.637 4.762 -1.186 1.00 0.00 H new ATOM 407 N THR A 27 -2.300 7.921 -6.957 1.00 0.00 N ATOM 408 CA THR A 27 -2.652 9.329 -7.110 1.00 0.00 C ATOM 409 C THR A 27 -2.623 9.952 -5.714 1.00 0.00 C ATOM 410 O THR A 27 -3.463 9.563 -4.894 1.00 0.00 O ATOM 411 CB THR A 27 -4.015 9.522 -7.793 1.00 0.00 C ATOM 412 OG1 THR A 27 -3.967 9.071 -9.128 1.00 0.00 O ATOM 413 CG2 THR A 27 -4.448 10.990 -7.801 1.00 0.00 C ATOM 0 H THR A 27 -3.067 7.357 -6.590 1.00 0.00 H new ATOM 0 HA THR A 27 -1.935 9.823 -7.766 1.00 0.00 H new ATOM 0 HB THR A 27 -4.737 8.941 -7.219 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.843 9.199 -9.548 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.416 11.081 -8.293 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.527 11.352 -6.776 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.710 11.584 -8.340 1.00 0.00 H new ATOM 421 N PRO A 28 -1.622 10.785 -5.376 1.00 0.00 N ATOM 422 CA PRO A 28 -1.599 11.460 -4.093 1.00 0.00 C ATOM 423 C PRO A 28 -2.868 12.291 -3.895 1.00 0.00 C ATOM 424 O PRO A 28 -3.333 12.982 -4.807 1.00 0.00 O ATOM 425 CB PRO A 28 -0.365 12.360 -4.063 1.00 0.00 C ATOM 426 CG PRO A 28 0.227 12.315 -5.470 1.00 0.00 C ATOM 427 CD PRO A 28 -0.587 11.292 -6.259 1.00 0.00 C ATOM 0 HA PRO A 28 -1.558 10.729 -3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.633 13.379 -3.785 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.356 12.008 -3.325 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.177 13.296 -5.942 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.279 12.030 -5.438 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.028 11.752 -7.143 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.051 10.480 -6.608 1.00 0.00 H new ATOM 435 N LEU A 29 -3.395 12.259 -2.677 1.00 0.00 N ATOM 436 CA LEU A 29 -4.390 13.176 -2.155 1.00 0.00 C ATOM 437 C LEU A 29 -3.685 14.358 -1.531 1.00 0.00 C ATOM 438 O LEU A 29 -3.090 14.215 -0.467 1.00 0.00 O ATOM 439 CB LEU A 29 -5.367 12.508 -1.172 1.00 0.00 C ATOM 440 CG LEU A 29 -5.929 11.174 -1.695 1.00 0.00 C ATOM 441 CD1 LEU A 29 -5.393 9.922 -1.007 1.00 0.00 C ATOM 442 CD2 LEU A 29 -7.454 11.201 -1.584 1.00 0.00 C ATOM 0 H LEU A 29 -3.122 11.553 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.010 13.517 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.858 12.335 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.193 13.190 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.593 11.098 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.852 9.038 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.312 9.871 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.631 9.961 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.862 10.260 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.741 11.338 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.848 12.025 -2.179 1.00 0.00 H new ATOM 454 N ASN A 30 -3.771 15.517 -2.178 1.00 0.00 N ATOM 455 CA ASN A 30 -3.151 16.773 -1.751 1.00 0.00 C ATOM 456 C ASN A 30 -3.867 17.387 -0.530 1.00 0.00 C ATOM 457 O ASN A 30 -3.944 18.609 -0.408 1.00 0.00 O ATOM 458 CB ASN A 30 -3.140 17.770 -2.927 1.00 0.00 C ATOM 459 CG ASN A 30 -2.435 17.256 -4.177 1.00 0.00 C ATOM 460 OD1 ASN A 30 -1.249 16.937 -4.167 1.00 0.00 O ATOM 461 ND2 ASN A 30 -3.154 17.139 -5.284 1.00 0.00 N ATOM 0 H ASN A 30 -4.294 15.613 -3.048 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.128 16.556 -1.445 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.169 18.024 -3.183 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.655 18.691 -2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.723 16.782 -6.137 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.138 17.406 -5.283 1.00 0.00 H new ATOM 468 N SER A 31 -4.494 16.580 0.328 1.00 0.00 N ATOM 469 CA SER A 31 -5.180 17.071 1.518 1.00 0.00 C ATOM 470 C SER A 31 -4.173 17.363 2.634 1.00 0.00 C ATOM 471 O SER A 31 -3.170 16.655 2.739 1.00 0.00 O ATOM 472 CB SER A 31 -6.164 15.997 1.973 1.00 0.00 C ATOM 473 OG SER A 31 -7.274 15.984 1.096 1.00 0.00 O ATOM 0 H SER A 31 -4.539 15.567 0.215 1.00 0.00 H new ATOM 0 HA SER A 31 -5.707 17.997 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.679 15.021 1.980 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.493 16.196 2.993 1.00 0.00 H new ATOM 0 HG SER A 31 -7.909 15.295 1.382 1.00 0.00 H new ATOM 479 N SER A 32 -4.462 18.323 3.520 1.00 0.00 N ATOM 480 CA SER A 32 -3.708 18.490 4.764 1.00 0.00 C ATOM 481 C SER A 32 -4.214 17.539 5.858 1.00 0.00 C ATOM 482 O SER A 32 -3.442 17.021 6.658 1.00 0.00 O ATOM 483 CB SER A 32 -3.789 19.947 5.226 1.00 0.00 C ATOM 484 OG SER A 32 -5.128 20.388 5.397 1.00 0.00 O ATOM 0 H SER A 32 -5.217 18.998 3.396 1.00 0.00 H new ATOM 0 HA SER A 32 -2.665 18.236 4.573 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.250 20.057 6.167 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.290 20.585 4.496 1.00 0.00 H new ATOM 0 HG SER A 32 -5.129 21.322 5.694 1.00 0.00 H new ATOM 490 N THR A 33 -5.520 17.274 5.880 1.00 0.00 N ATOM 491 CA THR A 33 -6.194 16.523 6.938 1.00 0.00 C ATOM 492 C THR A 33 -5.956 14.999 6.816 1.00 0.00 C ATOM 493 O THR A 33 -6.232 14.244 7.755 1.00 0.00 O ATOM 494 CB THR A 33 -7.671 16.973 6.897 1.00 0.00 C ATOM 495 OG1 THR A 33 -7.926 17.862 7.968 1.00 0.00 O ATOM 496 CG2 THR A 33 -8.731 15.877 6.947 1.00 0.00 C ATOM 0 H THR A 33 -6.154 17.584 5.144 1.00 0.00 H new ATOM 0 HA THR A 33 -5.787 16.737 7.926 1.00 0.00 H new ATOM 0 HB THR A 33 -7.769 17.433 5.914 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.863 18.148 7.940 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.723 16.328 6.911 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.605 15.210 6.094 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.624 15.309 7.871 1.00 0.00 H new ATOM 504 N ILE A 34 -5.412 14.523 5.690 1.00 0.00 N ATOM 505 CA ILE A 34 -4.799 13.207 5.603 1.00 0.00 C ATOM 506 C ILE A 34 -3.627 13.167 6.596 1.00 0.00 C ATOM 507 O ILE A 34 -2.990 14.195 6.841 1.00 0.00 O ATOM 508 CB ILE A 34 -4.351 12.956 4.146 1.00 0.00 C ATOM 509 CG1 ILE A 34 -4.192 11.450 3.925 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.065 13.714 3.812 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.568 11.030 2.600 1.00 0.00 C ATOM 0 H ILE A 34 -5.388 15.047 4.815 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.498 12.413 5.866 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.115 13.337 3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.583 11.047 4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.175 10.986 4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.782 13.512 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.229 14.784 3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.266 13.387 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.506 9.943 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.184 11.392 1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.567 11.454 2.518 1.00 0.00 H new ATOM 523 N ILE A 35 -3.287 11.986 7.105 1.00 0.00 N ATOM 524 CA ILE A 35 -1.976 11.775 7.698 1.00 0.00 C ATOM 525 C ILE A 35 -1.087 11.289 6.563 1.00 0.00 C ATOM 526 O ILE A 35 -0.207 12.018 6.118 1.00 0.00 O ATOM 527 CB ILE A 35 -2.045 10.818 8.905 1.00 0.00 C ATOM 528 CG1 ILE A 35 -2.956 11.400 10.007 1.00 0.00 C ATOM 529 CG2 ILE A 35 -0.648 10.582 9.503 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.381 10.852 9.937 1.00 0.00 C ATOM 0 H ILE A 35 -3.897 11.169 7.118 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.560 12.688 8.124 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.452 9.872 8.547 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.530 11.172 10.984 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.983 12.486 9.916 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.726 9.904 10.353 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.002 10.143 8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.229 11.532 9.835 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.980 11.293 10.734 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.820 11.103 8.971 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.360 9.769 10.056 1.00 0.00 H new ATOM 542 N GLY A 36 -1.341 10.090 6.042 1.00 0.00 N ATOM 543 CA GLY A 36 -0.385 9.438 5.166 1.00 0.00 C ATOM 544 C GLY A 36 -0.970 8.175 4.567 1.00 0.00 C ATOM 545 O GLY A 36 -2.190 7.973 4.543 1.00 0.00 O ATOM 0 H GLY A 36 -2.195 9.559 6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.092 10.121 4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.519 9.195 5.725 1.00 0.00 H new ATOM 549 N TYR A 37 -0.077 7.317 4.087 1.00 0.00 N ATOM 550 CA TYR A 37 -0.413 5.991 3.603 1.00 0.00 C ATOM 551 C TYR A 37 0.562 5.038 4.288 1.00 0.00 C ATOM 552 O TYR A 37 1.729 5.386 4.487 1.00 0.00 O ATOM 553 CB TYR A 37 -0.298 5.938 2.051 1.00 0.00 C ATOM 554 CG TYR A 37 -0.689 7.210 1.322 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.045 7.542 1.263 1.00 0.00 C ATOM 556 CD2 TYR A 37 0.262 8.051 0.711 1.00 0.00 C ATOM 557 CE1 TYR A 37 -2.470 8.669 0.554 1.00 0.00 C ATOM 558 CE2 TYR A 37 -0.154 9.195 0.001 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.530 9.505 -0.085 1.00 0.00 C ATOM 560 OH TYR A 37 -1.956 10.585 -0.794 1.00 0.00 O ATOM 0 H TYR A 37 0.918 7.531 4.024 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.441 5.713 3.836 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.731 5.692 1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.924 5.124 1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.771 6.923 1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.314 7.818 0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.523 8.901 0.495 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.576 9.832 -0.476 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.517 11.393 -0.455 1.00 0.00 H new ATOM 570 N ARG A 38 0.078 3.860 4.662 1.00 0.00 N ATOM 571 CA ARG A 38 0.800 2.833 5.397 1.00 0.00 C ATOM 572 C ARG A 38 0.874 1.625 4.481 1.00 0.00 C ATOM 573 O ARG A 38 -0.168 1.103 4.079 1.00 0.00 O ATOM 574 CB ARG A 38 0.075 2.605 6.739 1.00 0.00 C ATOM 575 CG ARG A 38 0.358 1.300 7.503 1.00 0.00 C ATOM 576 CD ARG A 38 -0.534 0.159 6.996 1.00 0.00 C ATOM 577 NE ARG A 38 -0.667 -0.953 7.951 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.830 -1.417 8.425 1.00 0.00 C ATOM 579 NH1 ARG A 38 -2.918 -0.654 8.415 1.00 0.00 N ATOM 580 NH2 ARG A 38 -1.903 -2.656 8.889 1.00 0.00 N ATOM 0 H ARG A 38 -0.880 3.582 4.449 1.00 0.00 H new ATOM 0 HA ARG A 38 1.823 3.098 5.663 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.323 3.437 7.398 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.998 2.656 6.551 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.406 1.026 7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.186 1.454 8.568 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.524 0.555 6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.125 -0.223 6.061 1.00 0.00 H new ATOM 0 HE ARG A 38 0.189 -1.403 8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.872 0.295 8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.799 -1.017 8.779 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.075 -3.252 8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.787 -3.014 9.251 1.00 0.00 H new ATOM 594 N ILE A 39 2.080 1.207 4.110 1.00 0.00 N ATOM 595 CA ILE A 39 2.299 -0.008 3.341 1.00 0.00 C ATOM 596 C ILE A 39 2.561 -1.118 4.353 1.00 0.00 C ATOM 597 O ILE A 39 3.228 -0.903 5.364 1.00 0.00 O ATOM 598 CB ILE A 39 3.440 0.184 2.306 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.933 0.984 1.084 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.981 -1.158 1.767 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.833 2.499 1.290 1.00 0.00 C ATOM 0 H ILE A 39 2.939 1.708 4.338 1.00 0.00 H new ATOM 0 HA ILE A 39 1.431 -0.273 2.738 1.00 0.00 H new ATOM 0 HB ILE A 39 4.234 0.714 2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.599 0.791 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.949 0.606 0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.777 -0.967 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.374 -1.750 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.175 -1.706 1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.468 2.967 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.142 2.710 2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.817 2.899 1.535 1.00 0.00 H new ATOM 613 N THR A 40 2.082 -2.325 4.069 1.00 0.00 N ATOM 614 CA THR A 40 2.452 -3.515 4.812 1.00 0.00 C ATOM 615 C THR A 40 2.580 -4.636 3.780 1.00 0.00 C ATOM 616 O THR A 40 1.736 -4.792 2.905 1.00 0.00 O ATOM 617 CB THR A 40 1.376 -3.795 5.875 1.00 0.00 C ATOM 618 OG1 THR A 40 1.325 -2.729 6.811 1.00 0.00 O ATOM 619 CG2 THR A 40 1.660 -5.067 6.680 1.00 0.00 C ATOM 0 H THR A 40 1.422 -2.501 3.311 1.00 0.00 H new ATOM 0 HA THR A 40 3.395 -3.412 5.349 1.00 0.00 H new ATOM 0 HB THR A 40 0.439 -3.908 5.330 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.198 -3.091 7.713 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.869 -5.216 7.415 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.696 -5.923 6.007 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.617 -4.968 7.192 1.00 0.00 H new ATOM 627 N VAL A 41 3.652 -5.413 3.854 1.00 0.00 N ATOM 628 CA VAL A 41 3.840 -6.656 3.115 1.00 0.00 C ATOM 629 C VAL A 41 3.681 -7.871 4.004 1.00 0.00 C ATOM 630 O VAL A 41 4.160 -7.881 5.142 1.00 0.00 O ATOM 631 CB VAL A 41 5.124 -6.677 2.253 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.745 -6.858 0.791 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.869 -5.322 2.235 1.00 0.00 C ATOM 0 H VAL A 41 4.446 -5.187 4.453 1.00 0.00 H new ATOM 0 HA VAL A 41 3.031 -6.705 2.387 1.00 0.00 H new ATOM 0 HB VAL A 41 5.738 -7.470 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.648 -6.873 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.208 -7.798 0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.107 -6.032 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.760 -5.405 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.213 -4.552 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.159 -5.053 3.251 1.00 0.00 H new ATOM 643 N VAL A 42 2.999 -8.883 3.477 1.00 0.00 N ATOM 644 CA VAL A 42 2.885 -10.212 4.067 1.00 0.00 C ATOM 645 C VAL A 42 3.069 -11.227 2.929 1.00 0.00 C ATOM 646 O VAL A 42 2.963 -10.856 1.756 1.00 0.00 O ATOM 647 CB VAL A 42 1.566 -10.366 4.867 1.00 0.00 C ATOM 648 CG1 VAL A 42 1.133 -9.101 5.618 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.396 -10.731 3.981 1.00 0.00 C ATOM 0 H VAL A 42 2.492 -8.797 2.596 1.00 0.00 H new ATOM 0 HA VAL A 42 3.659 -10.391 4.813 1.00 0.00 H new ATOM 0 HB VAL A 42 1.804 -11.158 5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.202 -9.295 6.151 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.907 -8.818 6.331 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.981 -8.289 4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.504 -10.827 4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.248 -9.951 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.600 -11.678 3.481 1.00 0.00 H new ATOM 659 N ALA A 43 3.315 -12.492 3.260 1.00 0.00 N ATOM 660 CA ALA A 43 3.298 -13.583 2.304 1.00 0.00 C ATOM 661 C ALA A 43 1.838 -13.943 2.053 1.00 0.00 C ATOM 662 O ALA A 43 1.141 -14.373 2.978 1.00 0.00 O ATOM 663 CB ALA A 43 4.075 -14.782 2.849 1.00 0.00 C ATOM 0 H ALA A 43 3.534 -12.786 4.212 1.00 0.00 H new ATOM 0 HA ALA A 43 3.778 -13.289 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.053 -15.592 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.109 -14.491 3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.618 -15.119 3.780 1.00 0.00 H new ATOM 669 N ALA A 44 1.407 -13.777 0.803 1.00 0.00 N ATOM 670 CA ALA A 44 0.120 -14.164 0.257 1.00 0.00 C ATOM 671 C ALA A 44 -1.043 -13.958 1.247 1.00 0.00 C ATOM 672 O ALA A 44 -1.134 -12.973 1.993 1.00 0.00 O ATOM 673 CB ALA A 44 0.252 -15.618 -0.250 1.00 0.00 C ATOM 0 H ALA A 44 1.997 -13.335 0.098 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.143 -13.512 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.700 -15.945 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.023 -15.667 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.526 -16.269 0.580 1.00 0.00 H new ATOM 708 N ILE A 48 1.566 -14.780 7.550 1.00 0.00 N ATOM 709 CA ILE A 48 2.989 -14.540 7.722 1.00 0.00 C ATOM 710 C ILE A 48 3.343 -13.094 7.310 1.00 0.00 C ATOM 711 O ILE A 48 3.331 -12.800 6.114 1.00 0.00 O ATOM 712 CB ILE A 48 3.751 -15.678 6.995 1.00 0.00 C ATOM 713 CG1 ILE A 48 3.835 -16.876 7.971 1.00 0.00 C ATOM 714 CG2 ILE A 48 5.110 -15.260 6.431 1.00 0.00 C ATOM 715 CD1 ILE A 48 4.594 -18.112 7.467 1.00 0.00 C ATOM 0 HA ILE A 48 3.305 -14.585 8.764 1.00 0.00 H new ATOM 0 HB ILE A 48 3.198 -15.963 6.100 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.309 -16.535 8.891 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.820 -17.179 8.229 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.578 -16.113 5.939 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.972 -14.455 5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.750 -14.914 7.243 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.585 -18.883 8.237 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.112 -18.493 6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.624 -17.838 7.239 1.00 0.00 H new ATOM 727 N PRO A 49 3.607 -12.175 8.254 1.00 0.00 N ATOM 728 CA PRO A 49 3.974 -10.800 7.959 1.00 0.00 C ATOM 729 C PRO A 49 5.454 -10.718 7.571 1.00 0.00 C ATOM 730 O PRO A 49 6.239 -11.602 7.926 1.00 0.00 O ATOM 731 CB PRO A 49 3.690 -10.049 9.257 1.00 0.00 C ATOM 732 CG PRO A 49 3.940 -11.085 10.348 1.00 0.00 C ATOM 733 CD PRO A 49 3.686 -12.429 9.680 1.00 0.00 C ATOM 0 HA PRO A 49 3.421 -10.380 7.119 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.345 -9.185 9.370 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.666 -9.678 9.287 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.959 -11.020 10.728 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.273 -10.934 11.197 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.489 -13.131 9.905 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.761 -12.875 10.046 1.00 0.00 H new ATOM 741 N ILE A 50 5.841 -9.638 6.886 1.00 0.00 N ATOM 742 CA ILE A 50 7.219 -9.367 6.499 1.00 0.00 C ATOM 743 C ILE A 50 7.646 -8.037 7.132 1.00 0.00 C ATOM 744 O ILE A 50 8.465 -8.054 8.054 1.00 0.00 O ATOM 745 CB ILE A 50 7.414 -9.501 4.963 1.00 0.00 C ATOM 746 CG1 ILE A 50 7.661 -10.979 4.572 1.00 0.00 C ATOM 747 CG2 ILE A 50 8.591 -8.670 4.429 1.00 0.00 C ATOM 748 CD1 ILE A 50 6.385 -11.769 4.308 1.00 0.00 C ATOM 0 H ILE A 50 5.188 -8.916 6.581 1.00 0.00 H new ATOM 0 HA ILE A 50 7.904 -10.119 6.891 1.00 0.00 H new ATOM 0 HB ILE A 50 6.494 -9.124 4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.286 -11.009 3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.220 -11.467 5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.674 -8.807 3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.422 -7.616 4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.514 -8.997 4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.641 -12.794 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.767 -11.772 5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.834 -11.307 3.489 1.00 0.00 H new ATOM 760 N PHE A 51 7.107 -6.895 6.693 1.00 0.00 N ATOM 761 CA PHE A 51 7.535 -5.554 7.100 1.00 0.00 C ATOM 762 C PHE A 51 6.451 -4.533 6.723 1.00 0.00 C ATOM 763 O PHE A 51 5.563 -4.829 5.914 1.00 0.00 O ATOM 764 CB PHE A 51 8.908 -5.253 6.449 1.00 0.00 C ATOM 765 CG PHE A 51 9.188 -3.830 6.005 1.00 0.00 C ATOM 766 CD1 PHE A 51 9.779 -2.890 6.871 1.00 0.00 C ATOM 767 CD2 PHE A 51 8.872 -3.456 4.686 1.00 0.00 C ATOM 768 CE1 PHE A 51 10.049 -1.588 6.409 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.160 -2.162 4.230 1.00 0.00 C ATOM 770 CZ PHE A 51 9.749 -1.223 5.084 1.00 0.00 C ATOM 0 H PHE A 51 6.337 -6.879 6.024 1.00 0.00 H new ATOM 0 HA PHE A 51 7.663 -5.490 8.181 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.684 -5.541 7.158 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.015 -5.901 5.579 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.024 -3.167 7.886 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.406 -4.169 4.022 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.490 -0.863 7.077 1.00 0.00 H new ATOM 0 HE2 PHE A 51 8.926 -1.888 3.212 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.971 -0.227 4.729 1.00 0.00 H new ATOM 780 N GLU A 52 6.520 -3.330 7.295 1.00 0.00 N ATOM 781 CA GLU A 52 5.606 -2.228 7.071 1.00 0.00 C ATOM 782 C GLU A 52 6.381 -0.906 6.957 1.00 0.00 C ATOM 783 O GLU A 52 7.358 -0.685 7.673 1.00 0.00 O ATOM 784 CB GLU A 52 4.542 -2.220 8.188 1.00 0.00 C ATOM 785 CG GLU A 52 4.980 -1.719 9.578 1.00 0.00 C ATOM 786 CD GLU A 52 5.942 -2.615 10.374 1.00 0.00 C ATOM 787 OE1 GLU A 52 7.115 -2.836 9.992 1.00 0.00 O ATOM 788 OE2 GLU A 52 5.557 -2.995 11.501 1.00 0.00 O ATOM 0 H GLU A 52 7.256 -3.094 7.960 1.00 0.00 H new ATOM 0 HA GLU A 52 5.081 -2.352 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.708 -1.603 7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.163 -3.236 8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.451 -0.744 9.453 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.084 -1.566 10.180 1.00 0.00 H new ATOM 795 N ASP A 53 5.914 0.008 6.105 1.00 0.00 N ATOM 796 CA ASP A 53 6.559 1.288 5.776 1.00 0.00 C ATOM 797 C ASP A 53 5.482 2.383 5.800 1.00 0.00 C ATOM 798 O ASP A 53 4.284 2.062 5.808 1.00 0.00 O ATOM 799 CB ASP A 53 7.253 1.168 4.409 1.00 0.00 C ATOM 800 CG ASP A 53 8.364 2.200 4.155 1.00 0.00 C ATOM 801 OD1 ASP A 53 8.134 3.406 4.352 1.00 0.00 O ATOM 802 OD2 ASP A 53 9.441 1.845 3.615 1.00 0.00 O ATOM 0 H ASP A 53 5.037 -0.126 5.601 1.00 0.00 H new ATOM 0 HA ASP A 53 7.328 1.551 6.502 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.678 0.168 4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.501 1.265 3.626 1.00 0.00 H new ATOM 807 N PHE A 54 5.863 3.658 5.840 1.00 0.00 N ATOM 808 CA PHE A 54 4.937 4.782 5.808 1.00 0.00 C ATOM 809 C PHE A 54 5.451 5.849 4.847 1.00 0.00 C ATOM 810 O PHE A 54 6.662 6.066 4.733 1.00 0.00 O ATOM 811 CB PHE A 54 4.870 5.377 7.225 1.00 0.00 C ATOM 812 CG PHE A 54 3.481 5.483 7.799 1.00 0.00 C ATOM 813 CD1 PHE A 54 2.597 6.468 7.322 1.00 0.00 C ATOM 814 CD2 PHE A 54 3.091 4.631 8.848 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.328 6.605 7.900 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.820 4.763 9.427 1.00 0.00 C ATOM 817 CZ PHE A 54 0.946 5.753 8.951 1.00 0.00 C ATOM 0 H PHE A 54 6.841 3.941 5.897 1.00 0.00 H new ATOM 0 HA PHE A 54 3.953 4.449 5.477 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.478 4.764 7.891 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.318 6.370 7.209 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.896 7.117 6.512 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.771 3.874 9.208 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.647 7.362 7.540 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.517 4.109 10.231 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.031 5.861 9.397 1.00 0.00 H new ATOM 827 N VAL A 55 4.540 6.630 4.271 1.00 0.00 N ATOM 828 CA VAL A 55 4.890 7.685 3.332 1.00 0.00 C ATOM 829 C VAL A 55 4.281 9.012 3.792 1.00 0.00 C ATOM 830 O VAL A 55 3.596 9.077 4.815 1.00 0.00 O ATOM 831 CB VAL A 55 4.484 7.252 1.902 1.00 0.00 C ATOM 832 CG1 VAL A 55 5.714 6.835 1.095 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.430 6.141 1.832 1.00 0.00 C ATOM 0 H VAL A 55 3.538 6.547 4.444 1.00 0.00 H new ATOM 0 HA VAL A 55 5.967 7.850 3.305 1.00 0.00 H new ATOM 0 HB VAL A 55 4.017 8.137 1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.407 6.534 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.406 7.675 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.207 5.998 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.214 5.910 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.808 5.249 2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.517 6.474 2.326 1.00 0.00 H new ATOM 843 N ASP A 56 4.481 10.063 2.999 1.00 0.00 N ATOM 844 CA ASP A 56 4.557 11.423 3.529 1.00 0.00 C ATOM 845 C ASP A 56 3.175 12.017 3.792 1.00 0.00 C ATOM 846 O ASP A 56 2.886 12.496 4.883 1.00 0.00 O ATOM 847 CB ASP A 56 5.341 12.283 2.520 1.00 0.00 C ATOM 848 CG ASP A 56 6.144 13.432 3.125 1.00 0.00 C ATOM 849 OD1 ASP A 56 6.515 13.369 4.316 1.00 0.00 O ATOM 850 OD2 ASP A 56 6.535 14.340 2.349 1.00 0.00 O ATOM 0 H ASP A 56 4.593 9.999 1.987 1.00 0.00 H new ATOM 0 HA ASP A 56 5.067 11.404 4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.023 11.636 1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.638 12.695 1.796 1.00 0.00 H new ATOM 855 N SER A 57 2.348 12.007 2.743 1.00 0.00 N ATOM 856 CA SER A 57 1.006 12.581 2.571 1.00 0.00 C ATOM 857 C SER A 57 0.751 12.873 1.096 1.00 0.00 C ATOM 858 O SER A 57 -0.359 12.685 0.604 1.00 0.00 O ATOM 859 CB SER A 57 0.737 13.842 3.418 1.00 0.00 C ATOM 860 OG SER A 57 1.848 14.722 3.451 1.00 0.00 O ATOM 0 H SER A 57 2.639 11.537 1.885 1.00 0.00 H new ATOM 0 HA SER A 57 0.309 11.827 2.938 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.128 14.369 3.014 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.483 13.545 4.435 1.00 0.00 H new ATOM 0 HG SER A 57 1.629 15.505 3.998 1.00 0.00 H new ATOM 866 N SER A 58 1.817 13.209 0.371 1.00 0.00 N ATOM 867 CA SER A 58 1.789 13.828 -0.946 1.00 0.00 C ATOM 868 C SER A 58 2.565 12.991 -1.969 1.00 0.00 C ATOM 869 O SER A 58 2.841 13.432 -3.089 1.00 0.00 O ATOM 870 CB SER A 58 2.379 15.230 -0.769 1.00 0.00 C ATOM 871 OG SER A 58 3.736 15.117 -0.367 1.00 0.00 O ATOM 0 H SER A 58 2.767 13.048 0.705 1.00 0.00 H new ATOM 0 HA SER A 58 0.774 13.890 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.309 15.788 -1.703 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.811 15.785 -0.023 1.00 0.00 H new ATOM 0 HG SER A 58 4.119 16.012 -0.254 1.00 0.00 H new ATOM 877 N VAL A 59 2.938 11.776 -1.568 1.00 0.00 N ATOM 878 CA VAL A 59 3.665 10.827 -2.398 1.00 0.00 C ATOM 879 C VAL A 59 2.689 10.240 -3.416 1.00 0.00 C ATOM 880 O VAL A 59 1.578 9.873 -3.033 1.00 0.00 O ATOM 881 CB VAL A 59 4.263 9.731 -1.494 1.00 0.00 C ATOM 882 CG1 VAL A 59 4.918 8.619 -2.315 1.00 0.00 C ATOM 883 CG2 VAL A 59 5.309 10.336 -0.550 1.00 0.00 C ATOM 0 H VAL A 59 2.736 11.420 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 59 4.483 11.310 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 59 3.443 9.301 -0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.328 7.865 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.173 8.160 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.720 9.039 -2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.724 9.552 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.108 10.790 -1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.839 11.096 0.074 1.00 0.00 H new ATOM 893 N GLY A 60 3.119 10.110 -4.674 1.00 0.00 N ATOM 894 CA GLY A 60 2.460 9.328 -5.716 1.00 0.00 C ATOM 895 C GLY A 60 3.377 8.260 -6.324 1.00 0.00 C ATOM 896 O GLY A 60 2.955 7.547 -7.235 1.00 0.00 O ATOM 0 H GLY A 60 3.970 10.566 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.576 8.847 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.116 9.998 -6.504 1.00 0.00 H new ATOM 900 N TYR A 61 4.623 8.143 -5.847 1.00 0.00 N ATOM 901 CA TYR A 61 5.554 7.078 -6.202 1.00 0.00 C ATOM 902 C TYR A 61 6.440 6.726 -4.990 1.00 0.00 C ATOM 903 O TYR A 61 7.114 7.623 -4.462 1.00 0.00 O ATOM 904 CB TYR A 61 6.403 7.478 -7.413 1.00 0.00 C ATOM 905 CG TYR A 61 7.120 6.285 -8.005 1.00 0.00 C ATOM 906 CD1 TYR A 61 6.381 5.339 -8.737 1.00 0.00 C ATOM 907 CD2 TYR A 61 8.486 6.062 -7.746 1.00 0.00 C ATOM 908 CE1 TYR A 61 6.991 4.155 -9.181 1.00 0.00 C ATOM 909 CE2 TYR A 61 9.099 4.872 -8.179 1.00 0.00 C ATOM 910 CZ TYR A 61 8.346 3.904 -8.883 1.00 0.00 C ATOM 911 OH TYR A 61 8.907 2.726 -9.265 1.00 0.00 O ATOM 0 H TYR A 61 5.017 8.810 -5.184 1.00 0.00 H new ATOM 0 HA TYR A 61 4.984 6.191 -6.480 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.766 7.934 -8.171 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.132 8.231 -7.115 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.340 5.524 -8.959 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.063 6.804 -7.215 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.422 3.436 -9.751 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.145 4.698 -7.974 1.00 0.00 H new ATOM 0 HH TYR A 61 9.847 2.706 -8.987 1.00 0.00 H new ATOM 921 N TYR A 62 6.468 5.460 -4.551 1.00 0.00 N ATOM 922 CA TYR A 62 7.266 4.941 -3.419 1.00 0.00 C ATOM 923 C TYR A 62 7.805 3.567 -3.826 1.00 0.00 C ATOM 924 O TYR A 62 7.135 2.883 -4.591 1.00 0.00 O ATOM 925 CB TYR A 62 6.417 4.872 -2.131 1.00 0.00 C ATOM 926 CG TYR A 62 6.915 3.956 -1.004 1.00 0.00 C ATOM 927 CD1 TYR A 62 8.202 4.083 -0.442 1.00 0.00 C ATOM 928 CD2 TYR A 62 6.088 2.923 -0.524 1.00 0.00 C ATOM 929 CE1 TYR A 62 8.716 3.093 0.413 1.00 0.00 C ATOM 930 CE2 TYR A 62 6.600 1.907 0.295 1.00 0.00 C ATOM 931 CZ TYR A 62 7.942 1.953 0.713 1.00 0.00 C ATOM 932 OH TYR A 62 8.450 0.915 1.425 1.00 0.00 O ATOM 0 H TYR A 62 5.909 4.730 -4.994 1.00 0.00 H new ATOM 0 HA TYR A 62 8.098 5.609 -3.196 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.330 5.882 -1.730 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.412 4.551 -2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.800 4.952 -0.672 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.042 2.913 -0.791 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.702 3.205 0.839 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.965 1.090 0.604 1.00 0.00 H new ATOM 0 HH TYR A 62 9.196 1.231 1.976 1.00 0.00 H new ATOM 942 N THR A 63 8.956 3.127 -3.312 1.00 0.00 N ATOM 943 CA THR A 63 9.562 1.847 -3.676 1.00 0.00 C ATOM 944 C THR A 63 9.943 1.088 -2.401 1.00 0.00 C ATOM 945 O THR A 63 10.640 1.624 -1.534 1.00 0.00 O ATOM 946 CB THR A 63 10.751 2.104 -4.622 1.00 0.00 C ATOM 947 OG1 THR A 63 10.327 2.837 -5.757 1.00 0.00 O ATOM 948 CG2 THR A 63 11.405 0.816 -5.123 1.00 0.00 C ATOM 0 H THR A 63 9.497 3.654 -2.626 1.00 0.00 H new ATOM 0 HA THR A 63 8.860 1.213 -4.218 1.00 0.00 H new ATOM 0 HB THR A 63 11.482 2.662 -4.037 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.092 2.995 -6.349 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.235 1.063 -5.785 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.776 0.242 -4.274 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.671 0.223 -5.668 1.00 0.00 H new ATOM 956 N VAL A 64 9.488 -0.156 -2.270 1.00 0.00 N ATOM 957 CA VAL A 64 9.797 -1.027 -1.143 1.00 0.00 C ATOM 958 C VAL A 64 11.121 -1.716 -1.450 1.00 0.00 C ATOM 959 O VAL A 64 11.430 -1.958 -2.617 1.00 0.00 O ATOM 960 CB VAL A 64 8.679 -2.069 -0.917 1.00 0.00 C ATOM 961 CG1 VAL A 64 8.678 -2.589 0.523 1.00 0.00 C ATOM 962 CG2 VAL A 64 7.274 -1.509 -1.168 1.00 0.00 C ATOM 0 H VAL A 64 8.880 -0.595 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 64 9.871 -0.442 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 64 8.898 -2.862 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.879 -3.320 0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.637 -3.060 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.518 -1.758 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.534 -2.290 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.089 -0.675 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.199 -1.164 -2.199 1.00 0.00 H new ATOM 972 N THR A 65 11.862 -2.101 -0.418 1.00 0.00 N ATOM 973 CA THR A 65 12.991 -3.011 -0.529 1.00 0.00 C ATOM 974 C THR A 65 12.844 -4.022 0.623 1.00 0.00 C ATOM 975 O THR A 65 11.930 -3.904 1.445 1.00 0.00 O ATOM 976 CB THR A 65 14.325 -2.235 -0.407 1.00 0.00 C ATOM 977 OG1 THR A 65 14.221 -0.862 -0.762 1.00 0.00 O ATOM 978 CG2 THR A 65 15.456 -2.818 -1.250 1.00 0.00 C ATOM 0 H THR A 65 11.690 -1.783 0.536 1.00 0.00 H new ATOM 0 HA THR A 65 13.002 -3.514 -1.496 1.00 0.00 H new ATOM 0 HB THR A 65 14.558 -2.334 0.653 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.095 -0.431 -0.661 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.357 -2.221 -1.112 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.650 -3.845 -0.939 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.170 -2.805 -2.302 1.00 0.00 H new ATOM 986 N GLY A 66 13.732 -5.009 0.709 1.00 0.00 N ATOM 987 CA GLY A 66 13.715 -6.057 1.727 1.00 0.00 C ATOM 988 C GLY A 66 12.715 -7.171 1.416 1.00 0.00 C ATOM 989 O GLY A 66 12.506 -8.084 2.218 1.00 0.00 O ATOM 0 H GLY A 66 14.507 -5.105 0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.713 -6.486 1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.470 -5.615 2.693 1.00 0.00 H new ATOM 993 N LEU A 67 12.113 -7.127 0.228 1.00 0.00 N ATOM 994 CA LEU A 67 11.407 -8.255 -0.350 1.00 0.00 C ATOM 995 C LEU A 67 12.413 -9.371 -0.598 1.00 0.00 C ATOM 996 O LEU A 67 13.620 -9.128 -0.699 1.00 0.00 O ATOM 997 CB LEU A 67 10.727 -7.805 -1.656 1.00 0.00 C ATOM 998 CG LEU A 67 9.215 -8.103 -1.663 1.00 0.00 C ATOM 999 CD1 LEU A 67 8.492 -6.970 -2.385 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.909 -9.446 -2.329 1.00 0.00 C ATOM 0 H LEU A 67 12.105 -6.295 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 67 10.633 -8.625 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.885 -6.735 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.198 -8.309 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 67 8.865 -8.169 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.421 -7.171 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.680 -6.030 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.858 -6.899 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.833 -9.622 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.261 -9.429 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.414 -10.245 -1.786 1.00 0.00 H new ATOM 1012 N GLU A 68 11.922 -10.592 -0.725 1.00 0.00 N ATOM 1013 CA GLU A 68 12.683 -11.774 -1.044 1.00 0.00 C ATOM 1014 C GLU A 68 11.825 -12.521 -2.070 1.00 0.00 C ATOM 1015 O GLU A 68 10.644 -12.748 -1.789 1.00 0.00 O ATOM 1016 CB GLU A 68 12.879 -12.625 0.221 1.00 0.00 C ATOM 1017 CG GLU A 68 14.251 -13.281 0.375 1.00 0.00 C ATOM 1018 CD GLU A 68 15.429 -12.329 0.598 1.00 0.00 C ATOM 1019 OE1 GLU A 68 15.348 -11.387 1.426 1.00 0.00 O ATOM 1020 OE2 GLU A 68 16.551 -12.685 0.179 1.00 0.00 O ATOM 0 H GLU A 68 10.929 -10.789 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 68 13.676 -11.545 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.699 -11.995 1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.120 -13.407 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.207 -13.976 1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.451 -13.872 -0.519 1.00 0.00 H new ATOM 1027 N PRO A 69 12.349 -12.907 -3.241 1.00 0.00 N ATOM 1028 CA PRO A 69 11.556 -13.635 -4.220 1.00 0.00 C ATOM 1029 C PRO A 69 11.251 -15.057 -3.719 1.00 0.00 C ATOM 1030 O PRO A 69 11.781 -15.515 -2.697 1.00 0.00 O ATOM 1031 CB PRO A 69 12.397 -13.604 -5.499 1.00 0.00 C ATOM 1032 CG PRO A 69 13.835 -13.536 -4.986 1.00 0.00 C ATOM 1033 CD PRO A 69 13.713 -12.709 -3.705 1.00 0.00 C ATOM 0 HA PRO A 69 10.576 -13.193 -4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.231 -14.492 -6.109 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.152 -12.741 -6.119 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.238 -14.529 -4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.498 -13.062 -5.709 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.434 -13.038 -2.956 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.912 -11.655 -3.898 1.00 0.00 H new ATOM 1041 N GLY A 70 10.387 -15.771 -4.442 1.00 0.00 N ATOM 1042 CA GLY A 70 10.130 -17.190 -4.218 1.00 0.00 C ATOM 1043 C GLY A 70 8.781 -17.485 -3.577 1.00 0.00 C ATOM 1044 O GLY A 70 8.358 -18.641 -3.588 1.00 0.00 O ATOM 0 H GLY A 70 9.841 -15.374 -5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.189 -17.714 -5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.918 -17.595 -3.583 1.00 0.00 H new ATOM 1048 N ILE A 71 8.089 -16.472 -3.062 1.00 0.00 N ATOM 1049 CA ILE A 71 6.738 -16.560 -2.533 1.00 0.00 C ATOM 1050 C ILE A 71 5.936 -15.446 -3.226 1.00 0.00 C ATOM 1051 O ILE A 71 6.493 -14.561 -3.880 1.00 0.00 O ATOM 1052 CB ILE A 71 6.773 -16.539 -0.980 1.00 0.00 C ATOM 1053 CG1 ILE A 71 7.604 -17.704 -0.379 1.00 0.00 C ATOM 1054 CG2 ILE A 71 5.381 -16.553 -0.324 1.00 0.00 C ATOM 1055 CD1 ILE A 71 7.012 -19.112 -0.575 1.00 0.00 C ATOM 0 H ILE A 71 8.474 -15.529 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 71 6.231 -17.500 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 71 7.255 -15.588 -0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.600 -17.683 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.727 -17.526 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.490 -16.537 0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.819 -15.676 -0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.847 -17.456 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.671 -19.850 -0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.029 -19.162 -0.106 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.916 -19.321 -1.640 1.00 0.00 H new ATOM 1067 N ASP A 72 4.614 -15.565 -3.180 1.00 0.00 N ATOM 1068 CA ASP A 72 3.639 -14.618 -3.715 1.00 0.00 C ATOM 1069 C ASP A 72 3.309 -13.682 -2.552 1.00 0.00 C ATOM 1070 O ASP A 72 3.020 -14.173 -1.463 1.00 0.00 O ATOM 1071 CB ASP A 72 2.422 -15.435 -4.170 1.00 0.00 C ATOM 1072 CG ASP A 72 1.524 -14.774 -5.213 1.00 0.00 C ATOM 1073 OD1 ASP A 72 2.032 -14.281 -6.243 1.00 0.00 O ATOM 1074 OD2 ASP A 72 0.288 -14.930 -5.074 1.00 0.00 O ATOM 0 H ASP A 72 4.167 -16.371 -2.743 1.00 0.00 H new ATOM 0 HA ASP A 72 3.989 -14.035 -4.567 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.776 -16.384 -4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.817 -15.667 -3.294 1.00 0.00 H new ATOM 1079 N TYR A 73 3.434 -12.367 -2.706 1.00 0.00 N ATOM 1080 CA TYR A 73 3.309 -11.410 -1.611 1.00 0.00 C ATOM 1081 C TYR A 73 1.982 -10.662 -1.756 1.00 0.00 C ATOM 1082 O TYR A 73 1.559 -10.316 -2.863 1.00 0.00 O ATOM 1083 CB TYR A 73 4.508 -10.446 -1.600 1.00 0.00 C ATOM 1084 CG TYR A 73 5.758 -10.950 -0.881 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.440 -12.098 -1.326 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.280 -10.231 0.214 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.621 -12.522 -0.688 1.00 0.00 C ATOM 1088 CE2 TYR A 73 7.480 -10.624 0.832 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.160 -11.779 0.387 1.00 0.00 C ATOM 1090 OH TYR A 73 9.336 -12.161 0.966 1.00 0.00 O ATOM 0 H TYR A 73 3.628 -11.930 -3.607 1.00 0.00 H new ATOM 0 HA TYR A 73 3.312 -11.934 -0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.773 -10.214 -2.631 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.195 -9.512 -1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.054 -12.659 -2.164 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.750 -9.366 0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.118 -13.421 -1.022 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.882 -10.042 1.648 1.00 0.00 H new ATOM 0 HH TYR A 73 9.975 -12.418 0.269 1.00 0.00 H new ATOM 1100 N ASP A 74 1.336 -10.383 -0.625 1.00 0.00 N ATOM 1101 CA ASP A 74 0.198 -9.484 -0.530 1.00 0.00 C ATOM 1102 C ASP A 74 0.749 -8.152 -0.056 1.00 0.00 C ATOM 1103 O ASP A 74 1.162 -8.035 1.107 1.00 0.00 O ATOM 1104 CB ASP A 74 -0.837 -9.951 0.495 1.00 0.00 C ATOM 1105 CG ASP A 74 -2.016 -10.761 -0.050 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -1.854 -11.704 -0.852 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -3.148 -10.417 0.384 1.00 0.00 O ATOM 0 H ASP A 74 1.601 -10.790 0.272 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.298 -9.435 -1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.326 -10.554 1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.232 -9.073 1.006 1.00 0.00 H new ATOM 1112 N ILE A 75 0.741 -7.142 -0.920 1.00 0.00 N ATOM 1113 CA ILE A 75 1.260 -5.828 -0.586 1.00 0.00 C ATOM 1114 C ILE A 75 0.026 -4.952 -0.320 1.00 0.00 C ATOM 1115 O ILE A 75 -0.714 -4.594 -1.241 1.00 0.00 O ATOM 1116 CB ILE A 75 2.270 -5.318 -1.646 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.292 -6.395 -2.100 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.936 -4.043 -1.082 1.00 0.00 C ATOM 1119 CD1 ILE A 75 2.894 -7.087 -3.411 1.00 0.00 C ATOM 0 H ILE A 75 0.374 -7.215 -1.869 1.00 0.00 H new ATOM 0 HA ILE A 75 1.877 -5.821 0.312 1.00 0.00 H new ATOM 0 HB ILE A 75 1.737 -5.078 -2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.270 -5.930 -2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.393 -7.145 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.654 -3.657 -1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.173 -3.288 -0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.451 -4.283 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.648 -7.828 -3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.930 -7.579 -3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.821 -6.345 -4.206 1.00 0.00 H new ATOM 1131 N SER A 76 -0.281 -4.685 0.950 1.00 0.00 N ATOM 1132 CA SER A 76 -1.393 -3.835 1.365 1.00 0.00 C ATOM 1133 C SER A 76 -0.907 -2.404 1.548 1.00 0.00 C ATOM 1134 O SER A 76 0.244 -2.178 1.921 1.00 0.00 O ATOM 1135 CB SER A 76 -2.062 -4.398 2.629 1.00 0.00 C ATOM 1136 OG SER A 76 -1.149 -4.785 3.636 1.00 0.00 O ATOM 0 H SER A 76 0.250 -5.063 1.735 1.00 0.00 H new ATOM 0 HA SER A 76 -2.156 -3.825 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.739 -3.647 3.035 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.670 -5.259 2.353 1.00 0.00 H new ATOM 0 HG SER A 76 -1.642 -5.131 4.409 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.766 -1.433 1.236 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.387 -0.026 1.122 1.00 0.00 C ATOM 1144 C VAL A 77 -2.564 0.848 1.588 1.00 0.00 C ATOM 1145 O VAL A 77 -3.296 1.459 0.794 1.00 0.00 O ATOM 1146 CB VAL A 77 -0.928 0.288 -0.317 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.381 1.722 -0.355 1.00 0.00 C ATOM 1148 CG2 VAL A 77 0.079 -0.728 -0.904 1.00 0.00 C ATOM 0 H VAL A 77 -2.755 -1.604 1.054 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.537 0.197 1.767 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.799 0.198 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.052 1.959 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.164 2.418 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.462 1.808 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.347 -0.430 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.975 -0.752 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.374 -1.719 -0.925 1.00 0.00 H new ATOM 1158 N ILE A 78 -2.807 0.857 2.894 1.00 0.00 N ATOM 1159 CA ILE A 78 -4.008 1.444 3.466 1.00 0.00 C ATOM 1160 C ILE A 78 -3.754 2.942 3.646 1.00 0.00 C ATOM 1161 O ILE A 78 -2.701 3.365 4.125 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.390 0.711 4.773 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.583 -0.790 4.450 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -5.664 1.323 5.387 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -5.172 -1.629 5.580 1.00 0.00 C ATOM 0 H ILE A 78 -2.174 0.456 3.586 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.869 1.327 2.808 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.596 0.822 5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.232 -0.877 3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.617 -1.212 4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.916 0.793 6.306 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.491 2.376 5.611 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.488 1.234 4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.267 -2.664 5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.515 -1.582 6.449 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.155 -1.241 5.847 1.00 0.00 H new ATOM 1177 N THR A 79 -4.730 3.753 3.249 1.00 0.00 N ATOM 1178 CA THR A 79 -4.733 5.186 3.499 1.00 0.00 C ATOM 1179 C THR A 79 -5.414 5.434 4.836 1.00 0.00 C ATOM 1180 O THR A 79 -6.413 4.781 5.152 1.00 0.00 O ATOM 1181 CB THR A 79 -5.485 5.890 2.366 1.00 0.00 C ATOM 1182 OG1 THR A 79 -4.791 5.659 1.164 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.625 7.404 2.548 1.00 0.00 C ATOM 0 H THR A 79 -5.550 3.427 2.738 1.00 0.00 H new ATOM 0 HA THR A 79 -3.717 5.579 3.534 1.00 0.00 H new ATOM 0 HB THR A 79 -6.494 5.478 2.361 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.231 4.939 0.666 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.169 7.823 1.702 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.170 7.611 3.469 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.635 7.857 2.603 1.00 0.00 H new ATOM 1191 N LEU A 80 -4.895 6.404 5.585 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.418 6.831 6.865 1.00 0.00 C ATOM 1193 C LEU A 80 -5.595 8.346 6.852 1.00 0.00 C ATOM 1194 O LEU A 80 -4.742 9.082 6.341 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.495 6.419 8.005 1.00 0.00 C ATOM 1196 CG LEU A 80 -2.981 6.466 7.710 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.273 7.048 8.936 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.474 5.063 7.380 1.00 0.00 C ATOM 0 H LEU A 80 -4.068 6.929 5.300 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.381 6.347 7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.697 7.065 8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.754 5.403 8.305 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.773 7.098 6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.200 7.091 8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.648 8.053 9.130 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.466 6.415 9.802 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.405 5.102 7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.655 4.402 8.227 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.000 4.683 6.504 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.712 8.813 7.406 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.126 10.215 7.407 1.00 0.00 C ATOM 1212 C ILE A 81 -7.590 10.601 8.822 1.00 0.00 C ATOM 1213 O ILE A 81 -7.416 9.819 9.761 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.164 10.500 6.280 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.630 10.144 6.614 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -7.814 9.777 4.965 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.647 10.899 5.745 1.00 0.00 C ATOM 0 H ILE A 81 -7.377 8.205 7.883 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.283 10.862 7.166 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.096 11.583 6.175 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.776 9.072 6.484 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.822 10.367 7.664 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.567 10.007 4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.837 10.110 4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.790 8.701 5.137 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.657 10.605 6.029 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.526 11.972 5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.480 10.657 4.696 1.00 0.00 H new ATOM 1229 N ASN A 82 -8.213 11.779 8.953 1.00 0.00 N ATOM 1230 CA ASN A 82 -9.050 12.192 10.083 1.00 0.00 C ATOM 1231 C ASN A 82 -9.818 10.997 10.658 1.00 0.00 C ATOM 1232 O ASN A 82 -10.749 10.480 10.035 1.00 0.00 O ATOM 1233 CB ASN A 82 -9.997 13.317 9.616 1.00 0.00 C ATOM 1234 CG ASN A 82 -11.244 13.482 10.485 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -11.260 14.283 11.416 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -12.320 12.780 10.163 1.00 0.00 N ATOM 0 H ASN A 82 -8.143 12.504 8.239 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.423 12.575 10.888 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.448 14.258 9.604 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.306 13.115 8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.184 12.899 10.692 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.285 12.120 9.386 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.363 10.544 11.825 1.00 0.00 N ATOM 1244 CA GLY A 83 -9.885 9.452 12.623 1.00 0.00 C ATOM 1245 C GLY A 83 -10.411 8.268 11.814 1.00 0.00 C ATOM 1246 O GLY A 83 -11.499 7.788 12.135 1.00 0.00 O ATOM 0 H GLY A 83 -8.550 10.973 12.268 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.099 9.099 13.290 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.690 9.832 13.252 1.00 0.00 H new ATOM 1250 N GLY A 84 -9.730 7.815 10.758 1.00 0.00 N ATOM 1251 CA GLY A 84 -10.287 6.801 9.882 1.00 0.00 C ATOM 1252 C GLY A 84 -9.264 6.158 8.957 1.00 0.00 C ATOM 1253 O GLY A 84 -8.174 6.684 8.729 1.00 0.00 O ATOM 0 H GLY A 84 -8.798 8.137 10.496 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.752 6.025 10.490 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.077 7.249 9.279 1.00 0.00 H new ATOM 1257 N GLU A 85 -9.677 5.040 8.360 1.00 0.00 N ATOM 1258 CA GLU A 85 -8.965 4.293 7.329 1.00 0.00 C ATOM 1259 C GLU A 85 -9.864 4.272 6.087 1.00 0.00 C ATOM 1260 O GLU A 85 -11.097 4.281 6.217 1.00 0.00 O ATOM 1261 CB GLU A 85 -8.740 2.823 7.753 1.00 0.00 C ATOM 1262 CG GLU A 85 -7.989 2.548 9.066 1.00 0.00 C ATOM 1263 CD GLU A 85 -7.965 1.034 9.346 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -7.414 0.282 8.508 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -8.518 0.574 10.374 1.00 0.00 O ATOM 0 H GLU A 85 -10.570 4.608 8.599 1.00 0.00 H new ATOM 0 HA GLU A 85 -7.998 4.764 7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.717 2.344 7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.197 2.325 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.971 2.931 9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.474 3.072 9.890 1.00 0.00 H new ATOM 1272 N SER A 86 -9.284 4.097 4.902 1.00 0.00 N ATOM 1273 CA SER A 86 -10.019 3.688 3.710 1.00 0.00 C ATOM 1274 C SER A 86 -10.149 2.152 3.712 1.00 0.00 C ATOM 1275 O SER A 86 -9.893 1.495 4.729 1.00 0.00 O ATOM 1276 CB SER A 86 -9.323 4.198 2.451 1.00 0.00 C ATOM 1277 OG SER A 86 -8.748 5.476 2.639 1.00 0.00 O ATOM 0 H SER A 86 -8.286 4.236 4.742 1.00 0.00 H new ATOM 0 HA SER A 86 -11.018 4.124 3.717 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.547 3.492 2.156 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.042 4.242 1.633 1.00 0.00 H new ATOM 0 HG SER A 86 -8.925 6.033 1.852 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.613 1.559 2.612 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.581 0.114 2.406 1.00 0.00 C ATOM 1285 C ALA A 87 -9.141 -0.334 2.088 1.00 0.00 C ATOM 1286 O ALA A 87 -8.359 0.477 1.577 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.529 -0.252 1.257 1.00 0.00 C ATOM 0 H ALA A 87 -11.025 2.074 1.833 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.908 -0.398 3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.509 -1.330 1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.543 0.059 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.209 0.255 0.346 1.00 0.00 H new ATOM 1293 N PRO A 88 -8.780 -1.603 2.347 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.518 -2.195 1.914 1.00 0.00 C ATOM 1295 C PRO A 88 -7.591 -2.588 0.432 1.00 0.00 C ATOM 1296 O PRO A 88 -8.240 -3.572 0.081 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.324 -3.409 2.829 1.00 0.00 C ATOM 1298 CG PRO A 88 -8.746 -3.857 3.160 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.541 -2.553 3.152 1.00 0.00 C ATOM 0 HA PRO A 88 -6.676 -1.507 1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.763 -4.199 2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.769 -3.145 3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.126 -4.564 2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.796 -4.351 4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.535 -2.708 2.731 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.679 -2.178 4.166 1.00 0.00 H new ATOM 1307 N THR A 89 -6.946 -1.833 -0.453 1.00 0.00 N ATOM 1308 CA THR A 89 -6.793 -2.198 -1.861 1.00 0.00 C ATOM 1309 C THR A 89 -5.496 -3.006 -1.946 1.00 0.00 C ATOM 1310 O THR A 89 -4.442 -2.475 -2.313 1.00 0.00 O ATOM 1311 CB THR A 89 -6.787 -0.952 -2.775 1.00 0.00 C ATOM 1312 OG1 THR A 89 -7.649 0.060 -2.293 1.00 0.00 O ATOM 1313 CG2 THR A 89 -7.227 -1.314 -4.192 1.00 0.00 C ATOM 0 H THR A 89 -6.510 -0.943 -0.212 1.00 0.00 H new ATOM 0 HA THR A 89 -7.634 -2.793 -2.217 1.00 0.00 H new ATOM 0 HB THR A 89 -5.763 -0.580 -2.780 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.593 0.844 -2.879 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.215 -0.421 -4.816 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.544 -2.056 -4.607 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.236 -1.724 -4.166 1.00 0.00 H new ATOM 1321 N THR A 90 -5.536 -4.249 -1.486 1.00 0.00 N ATOM 1322 CA THR A 90 -4.349 -5.063 -1.283 1.00 0.00 C ATOM 1323 C THR A 90 -4.175 -5.893 -2.549 1.00 0.00 C ATOM 1324 O THR A 90 -5.062 -6.665 -2.916 1.00 0.00 O ATOM 1325 CB THR A 90 -4.548 -5.886 -0.002 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.649 -4.991 1.090 1.00 0.00 O ATOM 1327 CG2 THR A 90 -3.426 -6.901 0.251 1.00 0.00 C ATOM 0 H THR A 90 -6.404 -4.724 -1.241 1.00 0.00 H new ATOM 0 HA THR A 90 -3.434 -4.490 -1.133 1.00 0.00 H new ATOM 0 HB THR A 90 -5.460 -6.471 -0.120 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.778 -5.499 1.918 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.630 -7.447 1.172 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.374 -7.601 -0.583 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.475 -6.376 0.344 1.00 0.00 H new ATOM 1335 N LEU A 91 -3.085 -5.662 -3.281 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.786 -6.402 -4.502 1.00 0.00 C ATOM 1337 C LEU A 91 -1.846 -7.544 -4.146 1.00 0.00 C ATOM 1338 O LEU A 91 -0.992 -7.411 -3.266 1.00 0.00 O ATOM 1339 CB LEU A 91 -2.196 -5.471 -5.577 1.00 0.00 C ATOM 1340 CG LEU A 91 -3.226 -4.826 -6.515 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -2.561 -3.704 -7.324 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -3.824 -5.846 -7.489 1.00 0.00 C ATOM 0 H LEU A 91 -2.387 -4.957 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.699 -6.816 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.633 -4.680 -5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.486 -6.039 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.028 -4.427 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.296 -3.249 -7.988 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.170 -2.948 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.744 -4.117 -7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.548 -5.350 -8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.029 -6.277 -8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.321 -6.637 -6.928 1.00 0.00 H new ATOM 1354 N THR A 92 -2.023 -8.662 -4.839 1.00 0.00 N ATOM 1355 CA THR A 92 -1.174 -9.835 -4.754 1.00 0.00 C ATOM 1356 C THR A 92 -0.319 -9.851 -6.017 1.00 0.00 C ATOM 1357 O THR A 92 -0.869 -9.641 -7.102 1.00 0.00 O ATOM 1358 CB THR A 92 -2.070 -11.079 -4.709 1.00 0.00 C ATOM 1359 OG1 THR A 92 -3.049 -10.977 -3.696 1.00 0.00 O ATOM 1360 CG2 THR A 92 -1.249 -12.335 -4.436 1.00 0.00 C ATOM 0 H THR A 92 -2.792 -8.777 -5.499 1.00 0.00 H new ATOM 0 HA THR A 92 -0.543 -9.822 -3.865 1.00 0.00 H new ATOM 0 HB THR A 92 -2.553 -11.146 -5.684 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.650 -11.209 -2.831 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.909 -13.202 -4.409 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.510 -12.466 -5.226 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.741 -12.236 -3.477 1.00 0.00 H new ATOM 1368 N GLN A 93 0.980 -10.114 -5.910 1.00 0.00 N ATOM 1369 CA GLN A 93 1.835 -10.428 -7.049 1.00 0.00 C ATOM 1370 C GLN A 93 3.018 -11.250 -6.520 1.00 0.00 C ATOM 1371 O GLN A 93 3.203 -11.352 -5.304 1.00 0.00 O ATOM 1372 CB GLN A 93 2.268 -9.111 -7.724 1.00 0.00 C ATOM 1373 CG GLN A 93 2.725 -9.250 -9.185 1.00 0.00 C ATOM 1374 CD GLN A 93 1.630 -9.534 -10.219 1.00 0.00 C ATOM 1375 OE1 GLN A 93 0.431 -9.489 -9.958 1.00 0.00 O ATOM 1376 NE2 GLN A 93 2.026 -9.790 -11.454 1.00 0.00 N ATOM 0 H GLN A 93 1.474 -10.115 -5.018 1.00 0.00 H new ATOM 0 HA GLN A 93 1.321 -11.017 -7.808 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.435 -8.409 -7.685 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.081 -8.673 -7.145 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.235 -8.331 -9.472 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.461 -10.053 -9.238 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.022 -9.828 -11.673 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.336 -9.950 -12.188 1.00 0.00 H new ATOM 1385 N GLN A 94 3.812 -11.839 -7.412 1.00 0.00 N ATOM 1386 CA GLN A 94 5.052 -12.508 -7.060 1.00 0.00 C ATOM 1387 C GLN A 94 6.198 -11.521 -7.253 1.00 0.00 C ATOM 1388 O GLN A 94 6.244 -10.861 -8.298 1.00 0.00 O ATOM 1389 CB GLN A 94 5.187 -13.729 -7.965 1.00 0.00 C ATOM 1390 CG GLN A 94 6.237 -14.754 -7.534 1.00 0.00 C ATOM 1391 CD GLN A 94 6.226 -15.938 -8.497 1.00 0.00 C ATOM 1392 OE1 GLN A 94 7.196 -16.196 -9.205 1.00 0.00 O ATOM 1393 NE2 GLN A 94 5.126 -16.671 -8.577 1.00 0.00 N ATOM 0 H GLN A 94 3.605 -11.863 -8.411 1.00 0.00 H new ATOM 0 HA GLN A 94 5.067 -12.840 -6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.219 -14.227 -8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.428 -13.389 -8.972 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.225 -14.293 -7.520 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.031 -15.096 -6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.323 -16.452 -7.987 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.081 -17.454 -9.229 1.00 0.00 H new ATOM 1402 N THR A 95 7.128 -11.517 -6.294 1.00 0.00 N ATOM 1403 CA THR A 95 8.318 -10.673 -6.267 1.00 0.00 C ATOM 1404 C THR A 95 7.938 -9.211 -5.954 1.00 0.00 C ATOM 1405 O THR A 95 6.736 -8.920 -5.773 1.00 0.00 O ATOM 1406 CB THR A 95 9.135 -10.899 -7.559 1.00 0.00 C ATOM 1407 OG1 THR A 95 9.256 -12.290 -7.849 1.00 0.00 O ATOM 1408 CG2 THR A 95 10.555 -10.354 -7.477 1.00 0.00 C ATOM 1409 OXT THR A 95 8.877 -8.398 -5.789 1.00 0.00 O ATOM 0 H THR A 95 7.066 -12.130 -5.481 1.00 0.00 H new ATOM 0 HA THR A 95 8.985 -10.952 -5.451 1.00 0.00 H new ATOM 0 HB THR A 95 8.584 -10.367 -8.334 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.775 -12.409 -8.672 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.073 -10.546 -8.417 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.523 -9.280 -7.293 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.087 -10.846 -6.662 1.00 0.00 H new