USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 561 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 74 MET CE :methyl -131:sc= 0 (180deg=-0.014) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot 143:sc= 0.325 USER MOD Set 2.2: A 68 GLN : amide:sc= -3.86 X(o=-3.5,f=-3.2!) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -132:sc= -0.347 (180deg=-1.77!) USER MOD Set 3.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.34 USER MOD Single : A 17 ASN : amide:sc= 0.267 K(o=0.27,f=-0.37) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -13! C(o=-15!,f=-13!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc=-0.00637 USER MOD Single : A 46 GLN : amide:sc= -0.0374 X(o=-0.037,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= -2.98 (180deg=-2.99) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 85:sc= 0.582 USER MOD Single : A 77 GLN :FLIP amide:sc= -3.81! C(o=-6.1!,f=-3.8!) USER MOD Single : A 83 THR OG1 : rot 4:sc= 0.241 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.0487 X(o=-0.049,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.453 -5.349 -2.682 1.00 0.00 N ATOM 91 CA VAL A 7 -14.616 -4.100 -1.963 1.00 0.00 C ATOM 92 C VAL A 7 -13.741 -2.984 -2.534 1.00 0.00 C ATOM 93 O VAL A 7 -14.263 -2.052 -3.147 1.00 0.00 O ATOM 94 CB VAL A 7 -14.370 -4.275 -0.442 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.594 -3.831 0.341 1.00 0.00 C ATOM 96 CG2 VAL A 7 -14.040 -5.723 -0.106 1.00 0.00 C ATOM 0 HA VAL A 7 -15.655 -3.799 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.519 -3.654 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.410 -3.958 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.799 -2.781 0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.453 -4.434 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.872 -5.818 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.871 -6.364 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.140 -6.025 -0.642 1.00 0.00 H new ATOM 106 N PRO A 8 -12.403 -3.023 -2.341 1.00 0.00 N ATOM 107 CA PRO A 8 -11.508 -1.989 -2.833 1.00 0.00 C ATOM 108 C PRO A 8 -10.680 -2.433 -4.057 1.00 0.00 C ATOM 109 O PRO A 8 -11.232 -2.717 -5.120 1.00 0.00 O ATOM 110 CB PRO A 8 -10.634 -1.823 -1.601 1.00 0.00 C ATOM 111 CG PRO A 8 -10.392 -3.237 -1.172 1.00 0.00 C ATOM 112 CD PRO A 8 -11.617 -4.029 -1.605 1.00 0.00 C ATOM 0 HA PRO A 8 -12.009 -1.090 -3.193 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.703 -1.306 -1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.135 -1.245 -0.825 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.488 -3.635 -1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.251 -3.297 -0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.350 -4.877 -2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.165 -4.427 -0.751 1.00 0.00 H new ATOM 120 N LEU A 9 -9.354 -2.477 -3.891 1.00 0.00 N ATOM 121 CA LEU A 9 -8.426 -2.864 -4.951 1.00 0.00 C ATOM 122 C LEU A 9 -8.686 -4.277 -5.467 1.00 0.00 C ATOM 123 O LEU A 9 -8.697 -5.241 -4.701 1.00 0.00 O ATOM 124 CB LEU A 9 -6.991 -2.777 -4.403 1.00 0.00 C ATOM 125 CG LEU A 9 -5.833 -2.909 -5.416 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.310 -3.438 -6.751 1.00 0.00 C ATOM 127 CD2 LEU A 9 -5.125 -1.579 -5.616 1.00 0.00 C ATOM 0 H LEU A 9 -8.895 -2.243 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.569 -2.183 -5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.883 -1.820 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.870 -3.556 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.129 -3.627 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.465 -3.516 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.757 -4.422 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.052 -2.757 -7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.315 -1.703 -6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.834 -0.842 -5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.718 -1.237 -4.665 1.00 0.00 H new ATOM 139 N THR A 10 -8.838 -4.392 -6.786 1.00 0.00 N ATOM 140 CA THR A 10 -9.029 -5.682 -7.427 1.00 0.00 C ATOM 141 C THR A 10 -7.703 -6.146 -8.025 1.00 0.00 C ATOM 142 O THR A 10 -7.118 -5.461 -8.862 1.00 0.00 O ATOM 143 CB THR A 10 -10.089 -5.600 -8.522 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.372 -5.373 -7.968 1.00 0.00 O ATOM 145 CG2 THR A 10 -10.162 -6.857 -9.364 1.00 0.00 C ATOM 0 H THR A 10 -8.832 -3.601 -7.429 1.00 0.00 H new ATOM 0 HA THR A 10 -9.371 -6.397 -6.678 1.00 0.00 H new ATOM 0 HB THR A 10 -9.790 -4.767 -9.159 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.035 -5.322 -8.688 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.933 -6.740 -10.126 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.199 -7.029 -9.845 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.406 -7.708 -8.728 1.00 0.00 H new ATOM 153 N PHE A 11 -7.231 -7.301 -7.584 1.00 0.00 N ATOM 154 CA PHE A 11 -5.968 -7.845 -8.068 1.00 0.00 C ATOM 155 C PHE A 11 -6.181 -8.692 -9.324 1.00 0.00 C ATOM 156 O PHE A 11 -7.307 -8.831 -9.804 1.00 0.00 O ATOM 157 CB PHE A 11 -5.312 -8.673 -6.964 1.00 0.00 C ATOM 158 CG PHE A 11 -5.986 -9.978 -6.738 1.00 0.00 C ATOM 159 CD1 PHE A 11 -7.102 -10.076 -5.927 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.506 -11.105 -7.358 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.728 -11.293 -5.742 1.00 0.00 C ATOM 162 CE2 PHE A 11 -6.120 -12.319 -7.187 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.236 -12.416 -6.377 1.00 0.00 C ATOM 0 H PHE A 11 -7.703 -7.882 -6.891 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.309 -7.019 -8.335 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.268 -8.850 -7.222 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.319 -8.101 -6.036 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.487 -9.195 -5.435 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.633 -11.034 -7.989 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.597 -11.366 -5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.733 -13.197 -7.684 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.723 -13.370 -6.241 1.00 0.00 H new ATOM 173 N THR A 12 -5.096 -9.247 -9.859 1.00 0.00 N ATOM 174 CA THR A 12 -5.174 -10.072 -11.070 1.00 0.00 C ATOM 175 C THR A 12 -5.536 -11.520 -10.736 1.00 0.00 C ATOM 176 O THR A 12 -6.066 -11.803 -9.673 1.00 0.00 O ATOM 177 CB THR A 12 -3.844 -10.025 -11.832 1.00 0.00 C ATOM 178 OG1 THR A 12 -4.022 -10.447 -13.175 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.767 -10.891 -11.211 1.00 0.00 C ATOM 0 H THR A 12 -4.155 -9.143 -9.478 1.00 0.00 H new ATOM 0 HA THR A 12 -5.963 -9.664 -11.701 1.00 0.00 H new ATOM 0 HB THR A 12 -3.518 -8.986 -11.786 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.164 -10.409 -13.646 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.853 -10.812 -11.799 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.573 -10.556 -10.192 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.099 -11.929 -11.195 1.00 0.00 H new ATOM 187 N ASP A 13 -5.246 -12.435 -11.655 1.00 0.00 N ATOM 188 CA ASP A 13 -5.533 -13.850 -11.440 1.00 0.00 C ATOM 189 C ASP A 13 -4.335 -14.553 -10.817 1.00 0.00 C ATOM 190 O ASP A 13 -4.478 -15.372 -9.913 1.00 0.00 O ATOM 191 CB ASP A 13 -5.894 -14.519 -12.763 1.00 0.00 C ATOM 192 CG ASP A 13 -7.126 -13.910 -13.404 1.00 0.00 C ATOM 193 OD1 ASP A 13 -8.250 -14.275 -12.996 1.00 0.00 O ATOM 194 OD2 ASP A 13 -6.970 -13.069 -14.313 1.00 0.00 O ATOM 0 H ASP A 13 -4.813 -12.223 -12.554 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.378 -13.928 -10.756 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.052 -14.436 -13.450 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.064 -15.582 -12.594 1.00 0.00 H new ATOM 199 N ALA A 14 -3.157 -14.233 -11.326 1.00 0.00 N ATOM 200 CA ALA A 14 -1.921 -14.833 -10.846 1.00 0.00 C ATOM 201 C ALA A 14 -1.694 -14.538 -9.372 1.00 0.00 C ATOM 202 O ALA A 14 -1.269 -15.413 -8.620 1.00 0.00 O ATOM 203 CB ALA A 14 -0.742 -14.349 -11.674 1.00 0.00 C ATOM 0 H ALA A 14 -3.029 -13.556 -12.078 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.010 -15.914 -10.957 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.175 -14.806 -11.303 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.891 -14.628 -12.717 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.664 -13.265 -11.597 1.00 0.00 H new ATOM 209 N ALA A 15 -1.995 -13.311 -8.947 1.00 0.00 N ATOM 210 CA ALA A 15 -1.831 -12.956 -7.547 1.00 0.00 C ATOM 211 C ALA A 15 -2.562 -13.981 -6.698 1.00 0.00 C ATOM 212 O ALA A 15 -2.119 -14.346 -5.608 1.00 0.00 O ATOM 213 CB ALA A 15 -2.333 -11.544 -7.281 1.00 0.00 C ATOM 0 H ALA A 15 -2.347 -12.562 -9.543 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.773 -12.966 -7.285 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.199 -11.303 -6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.769 -10.837 -7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.391 -11.480 -7.536 1.00 0.00 H new ATOM 219 N ALA A 16 -3.662 -14.487 -7.248 1.00 0.00 N ATOM 220 CA ALA A 16 -4.434 -15.521 -6.587 1.00 0.00 C ATOM 221 C ALA A 16 -3.652 -16.817 -6.618 1.00 0.00 C ATOM 222 O ALA A 16 -3.573 -17.547 -5.631 1.00 0.00 O ATOM 223 CB ALA A 16 -5.760 -15.721 -7.294 1.00 0.00 C ATOM 0 H ALA A 16 -4.035 -14.194 -8.151 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.624 -15.221 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.329 -16.500 -6.787 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.326 -14.789 -7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.580 -16.017 -8.327 1.00 0.00 H new ATOM 229 N ASN A 17 -3.074 -17.080 -7.782 1.00 0.00 N ATOM 230 CA ASN A 17 -2.283 -18.271 -8.002 1.00 0.00 C ATOM 231 C ASN A 17 -1.120 -18.344 -7.022 1.00 0.00 C ATOM 232 O ASN A 17 -0.841 -19.396 -6.451 1.00 0.00 O ATOM 233 CB ASN A 17 -1.754 -18.281 -9.437 1.00 0.00 C ATOM 234 CG ASN A 17 -2.813 -18.658 -10.451 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.759 -19.729 -11.058 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.786 -17.780 -10.642 1.00 0.00 N ATOM 0 H ASN A 17 -3.143 -16.470 -8.597 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.920 -19.141 -7.841 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.359 -17.295 -9.681 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.923 -18.983 -9.508 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.528 -17.979 -11.313 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.793 -16.905 -10.118 1.00 0.00 H new ATOM 243 N LYS A 18 -0.449 -17.212 -6.823 1.00 0.00 N ATOM 244 CA LYS A 18 0.678 -17.145 -5.905 1.00 0.00 C ATOM 245 C LYS A 18 0.258 -17.619 -4.517 1.00 0.00 C ATOM 246 O LYS A 18 1.060 -18.175 -3.770 1.00 0.00 O ATOM 247 CB LYS A 18 1.220 -15.710 -5.848 1.00 0.00 C ATOM 248 CG LYS A 18 2.126 -15.431 -4.659 1.00 0.00 C ATOM 249 CD LYS A 18 1.317 -15.078 -3.422 1.00 0.00 C ATOM 250 CE LYS A 18 1.991 -13.992 -2.599 1.00 0.00 C ATOM 251 NZ LYS A 18 3.397 -14.344 -2.252 1.00 0.00 N ATOM 0 H LYS A 18 -0.669 -16.330 -7.287 1.00 0.00 H new ATOM 0 HA LYS A 18 1.470 -17.802 -6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.771 -15.505 -6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.379 -15.017 -5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.743 -16.306 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.804 -14.612 -4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.323 -14.744 -3.720 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.183 -15.969 -2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.979 -13.055 -3.156 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.423 -13.826 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.556 -14.178 -1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.568 -15.347 -2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.050 -13.753 -2.806 1.00 0.00 H new ATOM 265 N VAL A 19 -1.010 -17.392 -4.185 1.00 0.00 N ATOM 266 CA VAL A 19 -1.549 -17.788 -2.891 1.00 0.00 C ATOM 267 C VAL A 19 -1.979 -19.246 -2.892 1.00 0.00 C ATOM 268 O VAL A 19 -1.364 -20.079 -2.236 1.00 0.00 O ATOM 269 CB VAL A 19 -2.756 -16.906 -2.510 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.342 -17.322 -1.163 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.355 -15.439 -2.502 1.00 0.00 C ATOM 0 H VAL A 19 -1.684 -16.934 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.754 -17.656 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.533 -17.047 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.191 -16.682 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.673 -18.359 -1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.581 -17.222 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.216 -14.828 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.557 -15.284 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.004 -15.152 -3.493 1.00 0.00 H new ATOM 281 N LYS A 20 -3.045 -19.540 -3.628 1.00 0.00 N ATOM 282 CA LYS A 20 -3.590 -20.887 -3.717 1.00 0.00 C ATOM 283 C LYS A 20 -2.537 -21.918 -4.105 1.00 0.00 C ATOM 284 O LYS A 20 -2.744 -23.122 -3.920 1.00 0.00 O ATOM 285 CB LYS A 20 -4.710 -20.934 -4.753 1.00 0.00 C ATOM 286 CG LYS A 20 -4.394 -20.168 -6.027 1.00 0.00 C ATOM 287 CD LYS A 20 -4.393 -21.079 -7.242 1.00 0.00 C ATOM 288 CE LYS A 20 -3.276 -22.104 -7.165 1.00 0.00 C ATOM 289 NZ LYS A 20 -3.019 -22.747 -8.486 1.00 0.00 N ATOM 0 H LYS A 20 -3.555 -18.850 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.967 -21.135 -2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.916 -21.974 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.620 -20.528 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.129 -19.375 -6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.420 -19.687 -5.931 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.353 -21.590 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.279 -20.482 -8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.364 -21.622 -6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.535 -22.869 -6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.250 -23.440 -8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.881 -23.229 -8.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.747 -22.021 -9.179 1.00 0.00 H new ATOM 303 N SER A 21 -1.439 -21.463 -4.686 1.00 0.00 N ATOM 304 CA SER A 21 -0.403 -22.381 -5.143 1.00 0.00 C ATOM 305 C SER A 21 0.611 -22.712 -4.054 1.00 0.00 C ATOM 306 O SER A 21 0.974 -23.876 -3.881 1.00 0.00 O ATOM 307 CB SER A 21 0.321 -21.801 -6.360 1.00 0.00 C ATOM 308 OG SER A 21 1.199 -22.757 -6.930 1.00 0.00 O ATOM 0 H SER A 21 -1.241 -20.476 -4.852 1.00 0.00 H new ATOM 0 HA SER A 21 -0.905 -23.310 -5.416 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.409 -21.482 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.883 -20.915 -6.065 1.00 0.00 H new ATOM 0 HG SER A 21 1.650 -22.365 -7.707 1.00 0.00 H new ATOM 314 N LEU A 22 1.077 -21.705 -3.331 1.00 0.00 N ATOM 315 CA LEU A 22 2.057 -21.947 -2.282 1.00 0.00 C ATOM 316 C LEU A 22 1.374 -22.384 -0.998 1.00 0.00 C ATOM 317 O LEU A 22 1.974 -23.075 -0.176 1.00 0.00 O ATOM 318 CB LEU A 22 2.952 -20.705 -2.074 1.00 0.00 C ATOM 319 CG LEU A 22 2.655 -19.811 -0.862 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.272 -19.201 -0.972 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.813 -20.574 0.450 1.00 0.00 C ATOM 0 H LEU A 22 0.800 -20.730 -3.447 1.00 0.00 H new ATOM 0 HA LEU A 22 2.708 -22.764 -2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.985 -21.044 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.885 -20.089 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 22 3.387 -19.003 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.082 -18.571 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.212 -18.598 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.526 -19.995 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.595 -19.909 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.122 -21.417 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.835 -20.942 0.536 1.00 0.00 H new ATOM 333 N ILE A 23 0.111 -22.011 -0.837 1.00 0.00 N ATOM 334 CA ILE A 23 -0.633 -22.401 0.339 1.00 0.00 C ATOM 335 C ILE A 23 -0.961 -23.877 0.270 1.00 0.00 C ATOM 336 O ILE A 23 -0.709 -24.633 1.207 1.00 0.00 O ATOM 337 CB ILE A 23 -1.917 -21.581 0.482 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.766 -21.704 -0.770 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.584 -20.127 0.734 1.00 0.00 C ATOM 340 CD1 ILE A 23 -3.853 -22.750 -0.670 1.00 0.00 C ATOM 0 H ILE A 23 -0.411 -21.443 -1.504 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.014 -22.207 1.215 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.481 -21.969 1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.223 -20.738 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.120 -21.945 -1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.506 -19.555 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.002 -20.041 1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.003 -19.737 -0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.417 -22.779 -1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.403 -23.726 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.524 -22.500 0.152 1.00 0.00 H new ATOM 352 N SER A 24 -1.484 -24.296 -0.875 1.00 0.00 N ATOM 353 CA SER A 24 -1.800 -25.688 -1.093 1.00 0.00 C ATOM 354 C SER A 24 -0.530 -26.517 -0.958 1.00 0.00 C ATOM 355 O SER A 24 -0.572 -27.714 -0.667 1.00 0.00 O ATOM 356 CB SER A 24 -2.402 -25.889 -2.484 1.00 0.00 C ATOM 357 OG SER A 24 -3.819 -25.952 -2.432 1.00 0.00 O ATOM 0 H SER A 24 -1.696 -23.685 -1.664 1.00 0.00 H new ATOM 0 HA SER A 24 -2.531 -26.007 -0.350 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.097 -25.070 -3.136 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.011 -26.808 -2.922 1.00 0.00 H new ATOM 0 HG SER A 24 -4.174 -26.079 -3.336 1.00 0.00 H new ATOM 363 N GLU A 25 0.602 -25.851 -1.166 1.00 0.00 N ATOM 364 CA GLU A 25 1.898 -26.489 -1.065 1.00 0.00 C ATOM 365 C GLU A 25 2.330 -26.572 0.388 1.00 0.00 C ATOM 366 O GLU A 25 3.187 -27.383 0.745 1.00 0.00 O ATOM 367 CB GLU A 25 2.937 -25.707 -1.876 1.00 0.00 C ATOM 368 CG GLU A 25 3.469 -26.472 -3.076 1.00 0.00 C ATOM 369 CD GLU A 25 4.020 -25.567 -4.155 1.00 0.00 C ATOM 370 OE1 GLU A 25 4.315 -24.390 -3.845 1.00 0.00 O ATOM 371 OE2 GLU A 25 4.159 -26.028 -5.308 1.00 0.00 O ATOM 0 H GLU A 25 0.641 -24.861 -1.407 1.00 0.00 H new ATOM 0 HA GLU A 25 1.822 -27.499 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.491 -24.773 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.770 -25.442 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.252 -27.155 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.669 -27.083 -3.495 1.00 0.00 H new ATOM 378 N GLU A 26 1.727 -25.744 1.238 1.00 0.00 N ATOM 379 CA GLU A 26 2.048 -25.756 2.651 1.00 0.00 C ATOM 380 C GLU A 26 1.308 -26.881 3.346 1.00 0.00 C ATOM 381 O GLU A 26 1.653 -27.275 4.452 1.00 0.00 O ATOM 382 CB GLU A 26 1.700 -24.417 3.291 1.00 0.00 C ATOM 383 CG GLU A 26 2.475 -23.252 2.711 1.00 0.00 C ATOM 384 CD GLU A 26 3.628 -22.810 3.592 1.00 0.00 C ATOM 385 OE1 GLU A 26 4.687 -23.476 3.559 1.00 0.00 O ATOM 386 OE2 GLU A 26 3.471 -21.809 4.316 1.00 0.00 O ATOM 0 H GLU A 26 1.018 -25.062 0.969 1.00 0.00 H new ATOM 0 HA GLU A 26 3.120 -25.921 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.633 -24.231 3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.892 -24.474 4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.861 -23.531 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.798 -22.412 2.560 1.00 0.00 H new ATOM 393 N GLU A 27 0.259 -27.371 2.678 1.00 0.00 N ATOM 394 CA GLU A 27 -0.563 -28.435 3.224 1.00 0.00 C ATOM 395 C GLU A 27 -1.543 -27.853 4.230 1.00 0.00 C ATOM 396 O GLU A 27 -2.202 -28.584 4.963 1.00 0.00 O ATOM 397 CB GLU A 27 0.291 -29.513 3.880 1.00 0.00 C ATOM 398 CG GLU A 27 -0.210 -30.933 3.618 1.00 0.00 C ATOM 399 CD GLU A 27 -1.228 -31.381 4.644 1.00 0.00 C ATOM 400 OE1 GLU A 27 -0.819 -31.750 5.769 1.00 0.00 O ATOM 401 OE2 GLU A 27 -2.438 -31.377 4.320 1.00 0.00 O ATOM 0 H GLU A 27 -0.034 -27.042 1.758 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.113 -28.901 2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.315 -29.425 3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.318 -29.339 4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.654 -30.982 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.635 -31.621 3.624 1.00 0.00 H new ATOM 408 N ASN A 28 -1.651 -26.520 4.246 1.00 0.00 N ATOM 409 CA ASN A 28 -2.566 -25.857 5.168 1.00 0.00 C ATOM 410 C ASN A 28 -3.965 -26.405 4.950 1.00 0.00 C ATOM 411 O ASN A 28 -4.501 -27.114 5.799 1.00 0.00 O ATOM 412 CB ASN A 28 -2.608 -24.341 4.963 1.00 0.00 C ATOM 413 CG ASN A 28 -1.326 -23.762 4.421 1.00 0.00 C ATOM 414 OD1 ASN A 28 -1.377 -23.319 3.177 1.00 0.00 O flip ATOM 415 ND2 ASN A 28 -0.303 -23.710 5.110 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.124 -25.892 3.640 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.209 -26.052 6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.422 -24.099 4.280 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.838 -23.862 5.915 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.313 -24.065 6.066 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.553 -23.312 4.723 1.00 0.00 H new ATOM 422 N THR A 29 -4.547 -26.050 3.803 1.00 0.00 N ATOM 423 CA THR A 29 -5.898 -26.486 3.472 1.00 0.00 C ATOM 424 C THR A 29 -6.547 -25.604 2.405 1.00 0.00 C ATOM 425 O THR A 29 -7.155 -26.104 1.458 1.00 0.00 O ATOM 426 CB THR A 29 -6.783 -26.459 4.722 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.158 -26.469 4.374 1.00 0.00 O ATOM 428 CG2 THR A 29 -6.529 -25.235 5.586 1.00 0.00 C ATOM 0 H THR A 29 -4.104 -25.465 3.094 1.00 0.00 H new ATOM 0 HA THR A 29 -5.812 -27.500 3.080 1.00 0.00 H new ATOM 0 HB THR A 29 -6.525 -27.355 5.287 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.702 -26.453 5.189 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.181 -25.264 6.459 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.489 -25.228 5.911 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.735 -24.333 5.009 1.00 0.00 H new ATOM 436 N ASP A 30 -6.441 -24.288 2.586 1.00 0.00 N ATOM 437 CA ASP A 30 -7.045 -23.334 1.666 1.00 0.00 C ATOM 438 C ASP A 30 -6.879 -21.941 2.235 1.00 0.00 C ATOM 439 O ASP A 30 -7.843 -21.283 2.628 1.00 0.00 O ATOM 440 CB ASP A 30 -8.529 -23.646 1.450 1.00 0.00 C ATOM 441 CG ASP A 30 -8.787 -24.346 0.129 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.135 -23.980 -0.872 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.639 -25.251 0.096 1.00 0.00 O ATOM 0 H ASP A 30 -5.940 -23.860 3.365 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.549 -23.403 0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.888 -24.273 2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.101 -22.719 1.484 1.00 0.00 H new ATOM 448 N LEU A 31 -5.633 -21.527 2.301 1.00 0.00 N ATOM 449 CA LEU A 31 -5.261 -20.243 2.849 1.00 0.00 C ATOM 450 C LEU A 31 -5.915 -19.086 2.116 1.00 0.00 C ATOM 451 O LEU A 31 -6.361 -19.214 0.978 1.00 0.00 O ATOM 452 CB LEU A 31 -3.749 -20.108 2.770 1.00 0.00 C ATOM 453 CG LEU A 31 -3.036 -20.036 4.107 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.653 -18.954 4.962 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.099 -21.372 4.816 1.00 0.00 C ATOM 0 H LEU A 31 -4.841 -22.079 1.972 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.607 -20.201 3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.353 -20.956 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.510 -19.210 2.200 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.988 -19.792 3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.136 -18.908 5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.563 -17.994 4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.707 -19.178 5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.582 -21.301 5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.141 -21.645 4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.620 -22.133 4.201 1.00 0.00 H new ATOM 467 N LYS A 32 -5.948 -17.951 2.798 1.00 0.00 N ATOM 468 CA LYS A 32 -6.522 -16.729 2.263 1.00 0.00 C ATOM 469 C LYS A 32 -5.483 -15.619 2.319 1.00 0.00 C ATOM 470 O LYS A 32 -4.886 -15.376 3.368 1.00 0.00 O ATOM 471 CB LYS A 32 -7.768 -16.322 3.064 1.00 0.00 C ATOM 472 CG LYS A 32 -8.212 -17.349 4.096 1.00 0.00 C ATOM 473 CD LYS A 32 -9.138 -18.386 3.486 1.00 0.00 C ATOM 474 CE LYS A 32 -10.574 -17.899 3.485 1.00 0.00 C ATOM 475 NZ LYS A 32 -11.395 -18.597 4.506 1.00 0.00 N ATOM 0 H LYS A 32 -5.575 -17.853 3.742 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.820 -16.900 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.567 -15.378 3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.589 -16.143 2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.337 -17.844 4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.720 -16.844 4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.824 -18.604 2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.067 -19.318 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.594 -16.826 3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.010 -18.056 2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.370 -18.236 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.397 -19.618 4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.994 -18.426 5.450 1.00 0.00 H new ATOM 489 N LEU A 33 -5.252 -14.953 1.197 1.00 0.00 N ATOM 490 CA LEU A 33 -4.271 -13.889 1.151 1.00 0.00 C ATOM 491 C LEU A 33 -4.680 -12.727 2.040 1.00 0.00 C ATOM 492 O LEU A 33 -5.864 -12.420 2.177 1.00 0.00 O ATOM 493 CB LEU A 33 -4.088 -13.403 -0.286 1.00 0.00 C ATOM 494 CG LEU A 33 -2.779 -12.659 -0.573 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.849 -11.234 -0.050 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.586 -13.391 0.028 1.00 0.00 C ATOM 0 H LEU A 33 -5.729 -15.132 0.314 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.326 -14.287 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.149 -14.264 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.921 -12.746 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.643 -12.626 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.911 -10.722 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.669 -10.707 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.018 -11.249 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.672 -12.839 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.712 -13.468 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.519 -14.391 -0.401 1.00 0.00 H new ATOM 508 N ARG A 34 -3.688 -12.066 2.624 1.00 0.00 N ATOM 509 CA ARG A 34 -3.943 -10.915 3.473 1.00 0.00 C ATOM 510 C ARG A 34 -2.887 -9.850 3.235 1.00 0.00 C ATOM 511 O ARG A 34 -1.787 -9.902 3.784 1.00 0.00 O ATOM 512 CB ARG A 34 -3.988 -11.311 4.947 1.00 0.00 C ATOM 513 CG ARG A 34 -4.157 -10.130 5.891 1.00 0.00 C ATOM 514 CD ARG A 34 -3.014 -10.041 6.891 1.00 0.00 C ATOM 515 NE ARG A 34 -2.763 -8.666 7.314 1.00 0.00 N ATOM 516 CZ ARG A 34 -2.099 -8.339 8.419 1.00 0.00 C ATOM 517 NH1 ARG A 34 -1.619 -9.286 9.214 1.00 0.00 N ATOM 518 NH2 ARG A 34 -1.915 -7.063 8.726 1.00 0.00 N ATOM 0 H ARG A 34 -2.702 -12.309 2.524 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.920 -10.508 3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.810 -12.009 5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.069 -11.839 5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.208 -9.207 5.314 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.102 -10.224 6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.247 -10.652 7.763 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.109 -10.454 6.445 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.118 -7.911 6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.759 -10.269 8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.110 -9.032 10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.282 -6.333 8.115 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.406 -6.811 9.573 1.00 0.00 H new ATOM 532 N VAL A 35 -3.227 -8.902 2.382 1.00 0.00 N ATOM 533 CA VAL A 35 -2.320 -7.829 2.018 1.00 0.00 C ATOM 534 C VAL A 35 -2.107 -6.818 3.134 1.00 0.00 C ATOM 535 O VAL A 35 -2.969 -6.606 3.987 1.00 0.00 O ATOM 536 CB VAL A 35 -2.836 -7.069 0.791 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.759 -6.160 0.231 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.329 -8.036 -0.262 1.00 0.00 C ATOM 0 H VAL A 35 -4.137 -8.854 1.923 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.369 -8.317 1.805 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.675 -6.445 1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.146 -5.630 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.460 -5.439 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.895 -6.757 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.692 -7.479 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.511 -8.689 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.140 -8.638 0.148 1.00 0.00 H new ATOM 548 N TYR A 36 -0.951 -6.176 3.076 1.00 0.00 N ATOM 549 CA TYR A 36 -0.572 -5.141 4.029 1.00 0.00 C ATOM 550 C TYR A 36 0.162 -4.034 3.285 1.00 0.00 C ATOM 551 O TYR A 36 0.336 -4.113 2.069 1.00 0.00 O ATOM 552 CB TYR A 36 0.307 -5.704 5.151 1.00 0.00 C ATOM 553 CG TYR A 36 1.089 -6.935 4.762 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.444 -8.139 4.520 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.472 -6.892 4.636 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.154 -9.269 4.163 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.191 -8.017 4.279 1.00 0.00 C ATOM 558 CZ TYR A 36 2.527 -9.203 4.044 1.00 0.00 C ATOM 559 OH TYR A 36 3.237 -10.327 3.688 1.00 0.00 O ATOM 0 H TYR A 36 -0.244 -6.358 2.363 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.474 -4.744 4.494 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.004 -4.931 5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.324 -5.943 6.007 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.631 -8.194 4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.994 -5.964 4.820 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.637 -10.199 3.978 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.266 -7.968 4.185 1.00 0.00 H new ATOM 0 HH TYR A 36 4.192 -10.111 3.647 1.00 0.00 H new ATOM 569 N ILE A 37 0.589 -3.004 3.999 1.00 0.00 N ATOM 570 CA ILE A 37 1.293 -1.902 3.359 1.00 0.00 C ATOM 571 C ILE A 37 2.801 -2.123 3.367 1.00 0.00 C ATOM 572 O ILE A 37 3.454 -2.026 4.407 1.00 0.00 O ATOM 573 CB ILE A 37 0.965 -0.549 4.024 1.00 0.00 C ATOM 574 CG1 ILE A 37 -0.475 -0.146 3.712 1.00 0.00 C ATOM 575 CG2 ILE A 37 1.927 0.529 3.541 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.736 0.038 2.236 1.00 0.00 C ATOM 0 H ILE A 37 0.464 -2.907 5.007 1.00 0.00 H new ATOM 0 HA ILE A 37 0.947 -1.873 2.326 1.00 0.00 H new ATOM 0 HB ILE A 37 1.077 -0.656 5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.151 -0.907 4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.706 0.783 4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.681 1.477 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.948 0.247 3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.841 0.636 2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.777 0.324 2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.084 0.820 1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.536 -0.896 1.712 1.00 0.00 H new ATOM 672 N GLN A 46 3.097 -1.868 -4.181 1.00 0.00 N ATOM 673 CA GLN A 46 3.309 -3.307 -4.111 1.00 0.00 C ATOM 674 C GLN A 46 2.366 -3.959 -3.114 1.00 0.00 C ATOM 675 O GLN A 46 1.538 -4.786 -3.486 1.00 0.00 O ATOM 676 CB GLN A 46 4.758 -3.612 -3.736 1.00 0.00 C ATOM 677 CG GLN A 46 5.661 -3.807 -4.940 1.00 0.00 C ATOM 678 CD GLN A 46 7.130 -3.738 -4.577 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.862 -4.719 -4.706 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.565 -2.571 -4.117 1.00 0.00 N ATOM 0 HA GLN A 46 3.098 -3.722 -5.097 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.148 -2.797 -3.126 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.785 -4.511 -3.121 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.448 -4.773 -5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.438 -3.044 -5.686 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.920 -1.786 -4.028 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.544 -2.460 -3.853 1.00 0.00 H new ATOM 689 N TYR A 47 2.499 -3.592 -1.845 1.00 0.00 N ATOM 690 CA TYR A 47 1.657 -4.156 -0.796 1.00 0.00 C ATOM 691 C TYR A 47 2.054 -5.600 -0.517 1.00 0.00 C ATOM 692 O TYR A 47 1.947 -6.467 -1.383 1.00 0.00 O ATOM 693 CB TYR A 47 0.181 -4.073 -1.183 1.00 0.00 C ATOM 694 CG TYR A 47 -0.245 -2.697 -1.637 1.00 0.00 C ATOM 695 CD1 TYR A 47 -0.685 -1.753 -0.721 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.207 -2.344 -2.978 1.00 0.00 C ATOM 697 CE1 TYR A 47 -1.077 -0.492 -1.128 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.597 -1.085 -3.395 1.00 0.00 C ATOM 699 CZ TYR A 47 -1.030 -0.162 -2.466 1.00 0.00 C ATOM 700 OH TYR A 47 -1.420 1.092 -2.876 1.00 0.00 O ATOM 0 H TYR A 47 3.181 -2.908 -1.517 1.00 0.00 H new ATOM 0 HA TYR A 47 1.804 -3.572 0.113 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.018 -4.788 -1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.428 -4.370 -0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.722 -2.008 0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.133 -3.064 -3.708 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.418 0.231 -0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.563 -0.825 -4.443 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.325 1.162 -3.849 1.00 0.00 H new ATOM 710 N GLY A 48 2.533 -5.841 0.697 1.00 0.00 N ATOM 711 CA GLY A 48 2.965 -7.174 1.081 1.00 0.00 C ATOM 712 C GLY A 48 1.819 -8.155 1.232 1.00 0.00 C ATOM 713 O GLY A 48 0.812 -7.852 1.869 1.00 0.00 O ATOM 0 H GLY A 48 2.631 -5.135 1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.662 -7.552 0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.510 -7.115 2.023 1.00 0.00 H new ATOM 717 N PHE A 49 1.971 -9.328 0.623 1.00 0.00 N ATOM 718 CA PHE A 49 0.947 -10.362 0.670 1.00 0.00 C ATOM 719 C PHE A 49 1.326 -11.517 1.592 1.00 0.00 C ATOM 720 O PHE A 49 2.435 -12.047 1.524 1.00 0.00 O ATOM 721 CB PHE A 49 0.706 -10.907 -0.735 1.00 0.00 C ATOM 722 CG PHE A 49 -0.249 -10.079 -1.534 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.223 -8.700 -1.448 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.179 -10.681 -2.359 1.00 0.00 C ATOM 725 CE1 PHE A 49 -1.108 -7.932 -2.168 1.00 0.00 C ATOM 726 CE2 PHE A 49 -2.071 -9.922 -3.086 1.00 0.00 C ATOM 727 CZ PHE A 49 -2.039 -8.542 -2.990 1.00 0.00 C ATOM 0 H PHE A 49 2.801 -9.585 0.088 1.00 0.00 H new ATOM 0 HA PHE A 49 0.042 -9.902 1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.658 -10.964 -1.264 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.321 -11.924 -0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.501 -8.219 -0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.208 -11.758 -2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.076 -6.855 -2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.793 -10.403 -3.729 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.738 -7.943 -3.555 1.00 0.00 H new ATOM 737 N THR A 50 0.376 -11.923 2.428 1.00 0.00 N ATOM 738 CA THR A 50 0.576 -13.046 3.344 1.00 0.00 C ATOM 739 C THR A 50 -0.585 -14.026 3.213 1.00 0.00 C ATOM 740 O THR A 50 -1.651 -13.666 2.720 1.00 0.00 O ATOM 741 CB THR A 50 0.695 -12.567 4.793 1.00 0.00 C ATOM 742 OG1 THR A 50 1.286 -13.568 5.604 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.637 -12.207 5.410 1.00 0.00 C ATOM 0 H THR A 50 -0.545 -11.490 2.492 1.00 0.00 H new ATOM 0 HA THR A 50 1.508 -13.544 3.077 1.00 0.00 H new ATOM 0 HB THR A 50 1.316 -11.672 4.754 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.355 -13.243 6.526 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.484 -11.875 6.437 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.100 -11.405 4.835 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.289 -13.081 5.404 1.00 0.00 H new ATOM 751 N PHE A 51 -0.387 -15.258 3.657 1.00 0.00 N ATOM 752 CA PHE A 51 -1.428 -16.264 3.574 1.00 0.00 C ATOM 753 C PHE A 51 -1.989 -16.545 4.954 1.00 0.00 C ATOM 754 O PHE A 51 -1.387 -17.255 5.754 1.00 0.00 O ATOM 755 CB PHE A 51 -0.862 -17.521 2.911 1.00 0.00 C ATOM 756 CG PHE A 51 0.055 -17.171 1.776 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.465 -16.749 0.567 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.428 -17.216 1.933 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.367 -16.383 -0.471 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.270 -16.845 0.901 1.00 0.00 C ATOM 761 CZ PHE A 51 1.739 -16.427 -0.303 1.00 0.00 C ATOM 0 H PHE A 51 0.484 -15.582 4.077 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.253 -15.904 2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.321 -18.113 3.650 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.680 -18.141 2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.536 -16.705 0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.847 -17.545 2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.053 -16.063 -1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.341 -16.882 1.036 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.393 -16.135 -1.111 1.00 0.00 H new ATOM 771 N ASP A 52 -3.143 -15.947 5.228 1.00 0.00 N ATOM 772 CA ASP A 52 -3.794 -16.095 6.525 1.00 0.00 C ATOM 773 C ASP A 52 -5.146 -16.798 6.413 1.00 0.00 C ATOM 774 O ASP A 52 -6.097 -16.273 5.836 1.00 0.00 O ATOM 775 CB ASP A 52 -3.965 -14.725 7.189 1.00 0.00 C ATOM 776 CG ASP A 52 -5.063 -13.894 6.570 1.00 0.00 C ATOM 777 OD1 ASP A 52 -5.301 -14.041 5.353 1.00 0.00 O ATOM 778 OD2 ASP A 52 -5.688 -13.095 7.296 1.00 0.00 O ATOM 0 H ASP A 52 -3.648 -15.354 4.569 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.151 -16.721 7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.179 -14.867 8.248 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.024 -14.178 7.125 1.00 0.00 H new ATOM 783 N GLU A 53 -5.212 -17.989 6.972 1.00 0.00 N ATOM 784 CA GLU A 53 -6.427 -18.794 6.966 1.00 0.00 C ATOM 785 C GLU A 53 -7.479 -18.212 7.910 1.00 0.00 C ATOM 786 O GLU A 53 -8.662 -18.540 7.815 1.00 0.00 O ATOM 787 CB GLU A 53 -6.111 -20.237 7.361 1.00 0.00 C ATOM 788 CG GLU A 53 -6.490 -21.252 6.304 1.00 0.00 C ATOM 789 CD GLU A 53 -7.647 -22.131 6.730 1.00 0.00 C ATOM 790 OE1 GLU A 53 -7.530 -22.811 7.771 1.00 0.00 O ATOM 791 OE2 GLU A 53 -8.674 -22.155 6.016 1.00 0.00 O ATOM 0 H GLU A 53 -4.425 -18.432 7.446 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.832 -18.782 5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.044 -20.323 7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.636 -20.475 8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.754 -20.731 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.626 -21.878 6.080 1.00 0.00 H new ATOM 881 N LEU A 60 -10.985 -5.840 5.487 1.00 0.00 N ATOM 882 CA LEU A 60 -11.858 -6.029 4.333 1.00 0.00 C ATOM 883 C LEU A 60 -11.370 -7.220 3.524 1.00 0.00 C ATOM 884 O LEU A 60 -10.170 -7.400 3.341 1.00 0.00 O ATOM 885 CB LEU A 60 -11.904 -4.767 3.464 1.00 0.00 C ATOM 886 CG LEU A 60 -12.108 -3.449 4.226 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.908 -2.470 3.381 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.805 -3.683 5.565 1.00 0.00 C ATOM 0 HA LEU A 60 -12.872 -6.222 4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.974 -4.701 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.710 -4.876 2.738 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.125 -3.024 4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.045 -1.540 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.371 -2.266 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.882 -2.901 3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.934 -2.731 6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.781 -4.138 5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.198 -4.348 6.180 1.00 0.00 H new ATOM 900 N THR A 61 -12.292 -8.063 3.077 1.00 0.00 N ATOM 901 CA THR A 61 -11.913 -9.257 2.339 1.00 0.00 C ATOM 902 C THR A 61 -12.528 -9.330 0.947 1.00 0.00 C ATOM 903 O THR A 61 -13.735 -9.232 0.763 1.00 0.00 O ATOM 904 CB THR A 61 -12.299 -10.507 3.139 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.638 -10.885 2.876 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.148 -10.336 4.633 1.00 0.00 C ATOM 0 H THR A 61 -13.296 -7.943 3.211 1.00 0.00 H new ATOM 0 HA THR A 61 -10.833 -9.208 2.203 1.00 0.00 H new ATOM 0 HB THR A 61 -11.605 -11.280 2.810 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.705 -11.863 2.859 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.438 -11.258 5.136 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.109 -10.105 4.870 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.787 -9.521 4.972 1.00 0.00 H new ATOM 914 N ILE A 62 -11.653 -9.556 -0.026 1.00 0.00 N ATOM 915 CA ILE A 62 -12.037 -9.712 -1.418 1.00 0.00 C ATOM 916 C ILE A 62 -11.734 -11.147 -1.837 1.00 0.00 C ATOM 917 O ILE A 62 -10.642 -11.642 -1.586 1.00 0.00 O ATOM 918 CB ILE A 62 -11.272 -8.740 -2.352 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.988 -8.227 -1.683 1.00 0.00 C ATOM 920 CG2 ILE A 62 -12.167 -7.581 -2.763 1.00 0.00 C ATOM 921 CD1 ILE A 62 -10.230 -7.238 -0.561 1.00 0.00 C ATOM 0 H ILE A 62 -10.649 -9.636 0.134 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.099 -9.483 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 62 -10.984 -9.288 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.431 -9.077 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.360 -7.756 -2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.614 -6.909 -3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -13.040 -7.965 -3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.490 -7.038 -1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.275 -6.924 -0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.759 -6.368 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.831 -7.710 0.217 1.00 0.00 H new ATOM 933 N GLU A 63 -12.692 -11.828 -2.448 1.00 0.00 N ATOM 934 CA GLU A 63 -12.473 -13.213 -2.850 1.00 0.00 C ATOM 935 C GLU A 63 -11.305 -13.328 -3.822 1.00 0.00 C ATOM 936 O GLU A 63 -10.999 -12.390 -4.559 1.00 0.00 O ATOM 937 CB GLU A 63 -13.734 -13.794 -3.473 1.00 0.00 C ATOM 938 CG GLU A 63 -13.734 -15.311 -3.547 1.00 0.00 C ATOM 939 CD GLU A 63 -14.776 -15.849 -4.509 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.771 -15.139 -4.763 1.00 0.00 O ATOM 941 OE2 GLU A 63 -14.594 -16.973 -5.008 1.00 0.00 O ATOM 0 H GLU A 63 -13.614 -11.454 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.227 -13.784 -1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.598 -13.467 -2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.852 -13.390 -4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.747 -15.656 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.917 -15.719 -2.553 1.00 0.00 H new ATOM 948 N LYS A 64 -10.651 -14.483 -3.805 1.00 0.00 N ATOM 949 CA LYS A 64 -9.509 -14.733 -4.666 1.00 0.00 C ATOM 950 C LYS A 64 -9.854 -15.778 -5.719 1.00 0.00 C ATOM 951 O LYS A 64 -10.759 -16.589 -5.529 1.00 0.00 O ATOM 952 CB LYS A 64 -8.333 -15.205 -3.812 1.00 0.00 C ATOM 953 CG LYS A 64 -6.993 -15.238 -4.534 1.00 0.00 C ATOM 954 CD LYS A 64 -5.865 -14.662 -3.681 1.00 0.00 C ATOM 955 CE LYS A 64 -5.417 -13.308 -4.203 1.00 0.00 C ATOM 956 NZ LYS A 64 -4.177 -12.831 -3.536 1.00 0.00 N ATOM 0 H LYS A 64 -10.897 -15.265 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.236 -13.812 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.246 -14.551 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.553 -16.205 -3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.753 -16.266 -4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.069 -14.673 -5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.200 -14.564 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.020 -15.351 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.247 -13.373 -5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.213 -12.580 -4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.890 -11.920 -3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.354 -12.711 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.418 -13.528 -3.675 1.00 0.00 H new ATOM 970 N SER A 65 -9.129 -15.751 -6.829 1.00 0.00 N ATOM 971 CA SER A 65 -9.353 -16.692 -7.919 1.00 0.00 C ATOM 972 C SER A 65 -9.485 -18.121 -7.406 1.00 0.00 C ATOM 973 O SER A 65 -10.274 -18.905 -7.921 1.00 0.00 O ATOM 974 CB SER A 65 -8.197 -16.612 -8.910 1.00 0.00 C ATOM 975 OG SER A 65 -8.662 -16.684 -10.247 1.00 0.00 O ATOM 0 H SER A 65 -8.376 -15.084 -6.999 1.00 0.00 H new ATOM 0 HA SER A 65 -10.287 -16.421 -8.411 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.651 -15.680 -8.762 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.496 -17.425 -8.722 1.00 0.00 H new ATOM 0 HG SER A 65 -7.901 -16.629 -10.862 1.00 0.00 H new ATOM 981 N GLY A 66 -8.696 -18.445 -6.388 1.00 0.00 N ATOM 982 CA GLY A 66 -8.733 -19.778 -5.826 1.00 0.00 C ATOM 983 C GLY A 66 -8.764 -19.788 -4.309 1.00 0.00 C ATOM 984 O GLY A 66 -8.641 -20.842 -3.688 1.00 0.00 O ATOM 0 H GLY A 66 -8.034 -17.809 -5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.612 -20.300 -6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.860 -20.334 -6.169 1.00 0.00 H new ATOM 988 N VAL A 67 -8.925 -18.611 -3.708 1.00 0.00 N ATOM 989 CA VAL A 67 -8.970 -18.500 -2.251 1.00 0.00 C ATOM 990 C VAL A 67 -9.758 -17.257 -1.825 1.00 0.00 C ATOM 991 O VAL A 67 -10.701 -16.852 -2.503 1.00 0.00 O ATOM 992 CB VAL A 67 -7.543 -18.452 -1.657 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.724 -19.634 -2.150 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.850 -17.147 -2.002 1.00 0.00 C ATOM 0 H VAL A 67 -9.026 -17.725 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.477 -19.384 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.627 -18.512 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.722 -19.586 -1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.205 -20.563 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.657 -19.602 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.849 -17.142 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.779 -17.048 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.423 -16.313 -1.598 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.357 -16.643 -0.711 1.00 0.00 N ATOM 1005 CA GLN A 68 -10.015 -15.442 -0.219 1.00 0.00 C ATOM 1006 C GLN A 68 -8.973 -14.383 0.142 1.00 0.00 C ATOM 1007 O GLN A 68 -8.060 -14.641 0.926 1.00 0.00 O ATOM 1008 CB GLN A 68 -10.911 -15.797 0.976 1.00 0.00 C ATOM 1009 CG GLN A 68 -10.766 -14.900 2.198 1.00 0.00 C ATOM 1010 CD GLN A 68 -11.701 -13.714 2.170 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.318 -13.373 3.177 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -11.816 -13.083 1.014 1.00 0.00 N ATOM 0 H GLN A 68 -8.578 -16.962 -0.135 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.650 -15.022 -0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.950 -15.769 0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.698 -16.824 1.274 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.957 -15.486 3.097 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.738 -14.544 2.262 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.284 -13.401 0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.437 -12.278 0.932 1.00 0.00 H new ATOM 1021 N LEU A 69 -9.107 -13.194 -0.435 1.00 0.00 N ATOM 1022 CA LEU A 69 -8.170 -12.112 -0.164 1.00 0.00 C ATOM 1023 C LEU A 69 -8.708 -11.189 0.925 1.00 0.00 C ATOM 1024 O LEU A 69 -9.886 -10.850 0.929 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.889 -11.309 -1.435 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.953 -10.111 -1.259 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.830 -10.428 -0.284 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.373 -9.705 -2.598 1.00 0.00 C ATOM 0 H LEU A 69 -9.852 -12.956 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.238 -12.557 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.459 -11.978 -2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.837 -10.952 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.535 -9.285 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.182 -9.558 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.253 -10.684 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.249 -11.270 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.708 -8.852 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.812 -10.539 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.181 -9.432 -3.277 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.844 -10.796 1.853 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.246 -9.919 2.943 1.00 0.00 C ATOM 1042 C VAL A 70 -7.134 -8.912 3.252 1.00 0.00 C ATOM 1043 O VAL A 70 -6.045 -9.286 3.669 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.633 -10.737 4.210 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -9.012 -12.163 3.838 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.518 -10.758 5.246 1.00 0.00 C ATOM 0 H VAL A 70 -6.862 -11.071 1.872 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.132 -9.366 2.630 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.494 -10.237 4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.279 -12.715 4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.863 -12.147 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.166 -12.649 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.836 -11.341 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.626 -11.210 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.292 -9.738 5.558 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.406 -7.627 3.041 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.399 -6.600 3.296 1.00 0.00 C ATOM 1058 C ILE A 71 -6.779 -5.720 4.478 1.00 0.00 C ATOM 1059 O ILE A 71 -7.958 -5.509 4.766 1.00 0.00 O ATOM 1060 CB ILE A 71 -6.122 -5.727 2.050 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -7.162 -4.615 1.907 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -6.093 -6.589 0.798 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.581 -5.124 1.808 1.00 0.00 C ATOM 0 H ILE A 71 -8.300 -7.275 2.700 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.480 -7.132 3.542 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.147 -5.258 2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.084 -3.944 2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.933 -4.027 1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.897 -5.961 -0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.306 -7.338 0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.055 -7.087 0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.264 -4.280 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.675 -5.772 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.829 -5.688 2.707 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.761 -5.228 5.166 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.962 -4.387 6.344 1.00 0.00 C ATOM 1077 C ASP A 72 -6.439 -2.980 5.975 1.00 0.00 C ATOM 1078 O ASP A 72 -6.060 -2.432 4.940 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.670 -4.300 7.161 1.00 0.00 C ATOM 1080 CG ASP A 72 -3.522 -3.699 6.375 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -3.731 -2.658 5.718 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -2.411 -4.268 6.419 1.00 0.00 O ATOM 0 H ASP A 72 -4.783 -5.395 4.931 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.743 -4.854 6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.848 -3.699 8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.391 -5.298 7.499 1.00 0.00 H new ATOM 1087 N PRO A 73 -7.290 -2.382 6.834 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.837 -1.038 6.622 1.00 0.00 C ATOM 1089 C PRO A 73 -6.782 -0.025 6.190 1.00 0.00 C ATOM 1090 O PRO A 73 -7.053 0.863 5.384 1.00 0.00 O ATOM 1091 CB PRO A 73 -8.391 -0.671 7.995 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.771 -1.973 8.600 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.786 -2.985 8.082 1.00 0.00 C ATOM 0 HA PRO A 73 -8.576 -1.026 5.820 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.645 -0.155 8.599 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.250 -0.006 7.912 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.738 -1.920 9.688 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.790 -2.246 8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.978 -3.157 8.793 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.261 -3.949 7.900 1.00 0.00 H new ATOM 1101 N MET A 74 -5.574 -0.154 6.726 1.00 0.00 N ATOM 1102 CA MET A 74 -4.497 0.758 6.377 1.00 0.00 C ATOM 1103 C MET A 74 -4.287 0.751 4.866 1.00 0.00 C ATOM 1104 O MET A 74 -4.147 1.793 4.229 1.00 0.00 O ATOM 1105 CB MET A 74 -3.215 0.372 7.134 1.00 0.00 C ATOM 1106 CG MET A 74 -1.924 0.558 6.349 1.00 0.00 C ATOM 1107 SD MET A 74 -0.522 0.967 7.407 1.00 0.00 S ATOM 1108 CE MET A 74 -0.835 2.701 7.726 1.00 0.00 C ATOM 0 H MET A 74 -5.319 -0.877 7.399 1.00 0.00 H new ATOM 0 HA MET A 74 -4.762 1.773 6.674 1.00 0.00 H new ATOM 0 HB2 MET A 74 -3.157 0.966 8.046 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.291 -0.672 7.438 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.704 -0.356 5.797 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.062 1.350 5.612 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.074 3.274 7.545 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.626 3.056 7.065 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.144 2.830 8.763 1.00 0.00 H new ATOM 1118 N SER A 75 -4.295 -0.433 4.292 1.00 0.00 N ATOM 1119 CA SER A 75 -4.133 -0.562 2.858 1.00 0.00 C ATOM 1120 C SER A 75 -5.429 -0.179 2.149 1.00 0.00 C ATOM 1121 O SER A 75 -5.407 0.333 1.032 1.00 0.00 O ATOM 1122 CB SER A 75 -3.736 -1.993 2.490 1.00 0.00 C ATOM 1123 OG SER A 75 -2.804 -2.519 3.420 1.00 0.00 O ATOM 0 H SER A 75 -4.411 -1.315 4.791 1.00 0.00 H new ATOM 0 HA SER A 75 -3.339 0.112 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.624 -2.625 2.463 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.304 -2.008 1.489 1.00 0.00 H new ATOM 0 HG SER A 75 -3.284 -2.893 4.188 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.560 -0.438 2.807 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.874 -0.137 2.239 1.00 0.00 C ATOM 1131 C LEU A 76 -7.893 1.216 1.536 1.00 0.00 C ATOM 1132 O LEU A 76 -8.435 1.344 0.440 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.947 -0.198 3.332 1.00 0.00 C ATOM 1134 CG LEU A 76 -10.022 0.892 3.287 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -11.226 0.449 4.074 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -9.481 2.192 3.853 1.00 0.00 C ATOM 0 H LEU A 76 -6.592 -0.857 3.737 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.093 -0.893 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.440 -1.168 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.451 -0.150 4.302 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.312 1.059 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.989 1.227 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.625 -0.469 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.938 0.269 5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.257 2.957 3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.174 2.039 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.623 2.516 3.264 1.00 0.00 H new ATOM 1148 N GLN A 77 -7.311 2.220 2.176 1.00 0.00 N ATOM 1149 CA GLN A 77 -7.277 3.559 1.609 1.00 0.00 C ATOM 1150 C GLN A 77 -6.109 3.725 0.636 1.00 0.00 C ATOM 1151 O GLN A 77 -6.128 4.613 -0.216 1.00 0.00 O ATOM 1152 CB GLN A 77 -7.247 4.624 2.722 1.00 0.00 C ATOM 1153 CG GLN A 77 -5.877 5.226 3.020 1.00 0.00 C ATOM 1154 CD GLN A 77 -5.404 4.898 4.417 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -5.414 3.616 4.748 1.00 0.00 O flip ATOM 1156 NE2 GLN A 77 -5.034 5.783 5.188 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.857 2.133 3.085 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.192 3.705 1.036 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.927 5.431 2.447 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.635 4.178 3.638 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.153 4.854 2.296 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.923 6.308 2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.044 6.758 4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.717 5.542 6.127 1.00 0.00 H new ATOM 1165 N TYR A 78 -5.096 2.869 0.763 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.936 2.939 -0.115 1.00 0.00 C ATOM 1167 C TYR A 78 -4.204 2.238 -1.445 1.00 0.00 C ATOM 1168 O TYR A 78 -3.770 2.698 -2.501 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.721 2.289 0.548 1.00 0.00 C ATOM 1170 CG TYR A 78 -2.111 3.100 1.668 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.888 3.565 2.717 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.752 3.383 1.682 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -2.330 4.290 3.752 1.00 0.00 C ATOM 1174 CE2 TYR A 78 -0.185 4.110 2.710 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.978 4.561 3.743 1.00 0.00 C ATOM 1176 OH TYR A 78 -0.418 5.283 4.772 1.00 0.00 O ATOM 0 H TYR A 78 -5.057 2.126 1.460 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.735 3.994 -0.302 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.014 1.315 0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.960 2.111 -0.212 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.948 3.357 2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.128 3.029 0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.949 4.643 4.564 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.874 4.324 2.705 1.00 0.00 H new ATOM 0 HH TYR A 78 0.544 5.385 4.614 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.890 1.103 -1.375 1.00 0.00 N ATOM 1187 CA LEU A 79 -5.184 0.305 -2.568 1.00 0.00 C ATOM 1188 C LEU A 79 -6.507 0.680 -3.242 1.00 0.00 C ATOM 1189 O LEU A 79 -6.756 0.291 -4.378 1.00 0.00 O ATOM 1190 CB LEU A 79 -5.117 -1.204 -2.258 1.00 0.00 C ATOM 1191 CG LEU A 79 -6.144 -1.808 -1.284 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.476 -2.126 0.034 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -7.347 -0.909 -1.055 1.00 0.00 C ATOM 0 H LEU A 79 -5.255 0.711 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.404 0.543 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.205 -1.739 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.123 -1.416 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.519 -2.722 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.208 -2.553 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.671 -2.842 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.067 -1.212 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.034 -1.391 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.016 0.042 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.855 -0.733 -2.003 1.00 0.00 H new ATOM 1205 N ILE A 80 -7.365 1.393 -2.522 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.694 1.778 -3.024 1.00 0.00 C ATOM 1207 C ILE A 80 -8.840 1.662 -4.547 1.00 0.00 C ATOM 1208 O ILE A 80 -8.104 2.278 -5.316 1.00 0.00 O ATOM 1209 CB ILE A 80 -9.052 3.228 -2.635 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -8.160 4.223 -3.381 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.942 3.430 -1.137 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.681 3.938 -3.252 1.00 0.00 C ATOM 0 H ILE A 80 -7.168 1.723 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.373 1.068 -2.553 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.087 3.410 -2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.430 4.217 -4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.360 5.227 -3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.199 4.460 -0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.626 2.752 -0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.921 3.224 -0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.116 4.686 -3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.394 3.974 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.465 2.948 -3.654 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.831 0.869 -4.943 1.00 0.00 N ATOM 1225 CA GLY A 81 -10.159 0.643 -6.343 1.00 0.00 C ATOM 1226 C GLY A 81 -8.984 0.657 -7.309 1.00 0.00 C ATOM 1227 O GLY A 81 -9.149 1.026 -8.472 1.00 0.00 O ATOM 0 H GLY A 81 -10.433 0.362 -4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.663 -0.320 -6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.872 1.405 -6.657 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.808 0.236 -6.859 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.661 0.202 -7.752 1.00 0.00 C ATOM 1233 C GLY A 82 -6.620 -1.086 -8.558 1.00 0.00 C ATOM 1234 O GLY A 82 -7.662 -1.683 -8.828 1.00 0.00 O ATOM 0 H GLY A 82 -7.627 -0.079 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.701 1.055 -8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.744 0.298 -7.171 1.00 0.00 H new ATOM 1238 N THR A 83 -5.422 -1.526 -8.930 1.00 0.00 N ATOM 1239 CA THR A 83 -5.267 -2.767 -9.689 1.00 0.00 C ATOM 1240 C THR A 83 -3.927 -3.424 -9.374 1.00 0.00 C ATOM 1241 O THR A 83 -2.883 -2.775 -9.421 1.00 0.00 O ATOM 1242 CB THR A 83 -5.382 -2.510 -11.190 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.708 -2.156 -11.540 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.989 -3.712 -12.023 1.00 0.00 C ATOM 0 H THR A 83 -4.547 -1.046 -8.721 1.00 0.00 H new ATOM 0 HA THR A 83 -6.070 -3.442 -9.392 1.00 0.00 H new ATOM 0 HB THR A 83 -4.692 -1.693 -11.403 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.254 -2.092 -10.729 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.091 -3.470 -13.081 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.954 -3.980 -11.810 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.639 -4.552 -11.779 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.959 -4.718 -9.064 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.735 -5.452 -8.746 1.00 0.00 C ATOM 1254 C VAL A 84 -2.575 -6.684 -9.625 1.00 0.00 C ATOM 1255 O VAL A 84 -3.553 -7.274 -10.077 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.669 -5.883 -7.254 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.930 -5.507 -6.495 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.386 -7.373 -7.111 1.00 0.00 C ATOM 0 H VAL A 84 -4.811 -5.277 -9.026 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.917 -4.758 -8.941 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.838 -5.334 -6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.839 -5.827 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.067 -4.426 -6.530 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.790 -5.997 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.347 -7.636 -6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.178 -7.942 -7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.430 -7.608 -7.579 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.326 -7.078 -9.829 1.00 0.00 N ATOM 1269 CA ASP A 85 -1.014 -8.260 -10.616 1.00 0.00 C ATOM 1270 C ASP A 85 0.292 -8.883 -10.140 1.00 0.00 C ATOM 1271 O ASP A 85 1.226 -8.175 -9.763 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.939 -7.924 -12.105 1.00 0.00 C ATOM 1273 CG ASP A 85 -0.269 -6.589 -12.370 1.00 0.00 C ATOM 1274 OD1 ASP A 85 0.637 -6.215 -11.597 1.00 0.00 O ATOM 1275 OD2 ASP A 85 -0.650 -5.918 -13.352 1.00 0.00 O ATOM 0 H ASP A 85 -0.509 -6.593 -9.458 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.817 -8.984 -10.476 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.391 -8.710 -12.624 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.946 -7.910 -12.521 1.00 0.00 H new ATOM 1280 N TYR A 86 0.353 -10.208 -10.151 1.00 0.00 N ATOM 1281 CA TYR A 86 1.543 -10.918 -9.711 1.00 0.00 C ATOM 1282 C TYR A 86 2.162 -11.708 -10.855 1.00 0.00 C ATOM 1283 O TYR A 86 1.455 -12.278 -11.685 1.00 0.00 O ATOM 1284 CB TYR A 86 1.186 -11.861 -8.566 1.00 0.00 C ATOM 1285 CG TYR A 86 2.035 -11.680 -7.331 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.421 -11.693 -7.410 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.448 -11.503 -6.086 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.200 -11.536 -6.281 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.220 -11.343 -4.950 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.596 -11.362 -5.053 1.00 0.00 C ATOM 1291 OH TYR A 86 4.369 -11.204 -3.925 1.00 0.00 O ATOM 0 H TYR A 86 -0.409 -10.812 -10.460 1.00 0.00 H new ATOM 0 HA TYR A 86 2.273 -10.185 -9.368 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.140 -11.712 -8.300 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.283 -12.890 -8.913 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.897 -11.828 -8.370 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.371 -11.490 -6.003 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.277 -11.549 -6.359 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.749 -11.204 -3.988 1.00 0.00 H new ATOM 0 HH TYR A 86 3.788 -11.092 -3.144 1.00 0.00 H new ATOM 1301 N THR A 87 3.485 -11.745 -10.885 1.00 0.00 N ATOM 1302 CA THR A 87 4.201 -12.476 -11.916 1.00 0.00 C ATOM 1303 C THR A 87 5.522 -13.016 -11.378 1.00 0.00 C ATOM 1304 O THR A 87 6.557 -12.354 -11.460 1.00 0.00 O ATOM 1305 CB THR A 87 4.452 -11.584 -13.132 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.228 -11.115 -13.670 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.205 -12.283 -14.244 1.00 0.00 C ATOM 0 H THR A 87 4.084 -11.276 -10.206 1.00 0.00 H new ATOM 0 HA THR A 87 3.582 -13.319 -12.223 1.00 0.00 H new ATOM 0 HB THR A 87 5.064 -10.760 -12.764 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.409 -10.545 -14.446 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.349 -11.593 -15.076 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.176 -12.613 -13.874 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.633 -13.146 -14.584 1.00 0.00 H new ATOM 1413 N PHE A 95 5.960 -8.160 -7.838 1.00 0.00 N ATOM 1414 CA PHE A 95 4.606 -7.710 -7.547 1.00 0.00 C ATOM 1415 C PHE A 95 4.418 -6.247 -7.927 1.00 0.00 C ATOM 1416 O PHE A 95 5.225 -5.392 -7.565 1.00 0.00 O ATOM 1417 CB PHE A 95 4.295 -7.907 -6.062 1.00 0.00 C ATOM 1418 CG PHE A 95 2.826 -7.914 -5.751 1.00 0.00 C ATOM 1419 CD1 PHE A 95 1.935 -8.588 -6.571 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.335 -7.249 -4.639 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.584 -8.596 -6.289 1.00 0.00 C ATOM 1422 CE2 PHE A 95 0.984 -7.254 -4.352 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.108 -7.928 -5.180 1.00 0.00 C ATOM 0 HA PHE A 95 3.916 -8.308 -8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.733 -8.848 -5.730 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.775 -7.113 -5.490 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.302 -9.113 -7.441 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.017 -6.721 -3.989 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.100 -9.125 -6.936 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.614 -6.732 -3.482 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.949 -7.932 -4.959 1.00 0.00 H new ATOM 1433 N THR A 96 3.342 -5.964 -8.656 1.00 0.00 N ATOM 1434 CA THR A 96 3.047 -4.599 -9.079 1.00 0.00 C ATOM 1435 C THR A 96 1.575 -4.266 -8.878 1.00 0.00 C ATOM 1436 O THR A 96 0.693 -5.050 -9.228 1.00 0.00 O ATOM 1437 CB THR A 96 3.422 -4.393 -10.546 1.00 0.00 C ATOM 1438 OG1 THR A 96 4.421 -5.314 -10.946 1.00 0.00 O ATOM 1439 CG2 THR A 96 3.933 -2.999 -10.841 1.00 0.00 C ATOM 0 H THR A 96 2.662 -6.659 -8.965 1.00 0.00 H new ATOM 0 HA THR A 96 3.644 -3.930 -8.460 1.00 0.00 H new ATOM 0 HB THR A 96 2.499 -4.550 -11.105 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.644 -5.165 -11.889 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.181 -2.919 -11.899 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.163 -2.269 -10.593 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.824 -2.804 -10.243 1.00 0.00 H new ATOM 1447 N VAL A 97 1.319 -3.091 -8.318 1.00 0.00 N ATOM 1448 CA VAL A 97 -0.041 -2.632 -8.070 1.00 0.00 C ATOM 1449 C VAL A 97 -0.203 -1.189 -8.538 1.00 0.00 C ATOM 1450 O VAL A 97 0.779 -0.453 -8.647 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.415 -2.734 -6.575 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.926 -2.770 -6.397 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.223 -3.964 -5.941 1.00 0.00 C ATOM 0 H VAL A 97 2.042 -2.434 -8.025 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.713 -3.280 -8.633 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.030 -1.848 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.166 -2.842 -5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.362 -1.859 -6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.334 -3.635 -6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.054 -4.016 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.127 -4.860 -6.453 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.307 -3.897 -6.028 1.00 0.00 H new ATOM 1463 N ASN A 98 -1.435 -0.788 -8.827 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.699 0.566 -9.297 1.00 0.00 C ATOM 1465 C ASN A 98 -2.887 1.186 -8.573 1.00 0.00 C ATOM 1466 O ASN A 98 -3.783 0.482 -8.109 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.951 0.559 -10.805 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.784 -0.023 -11.579 1.00 0.00 C ATOM 1469 OD1 ASN A 98 0.352 0.433 -11.445 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -1.058 -1.034 -12.395 1.00 0.00 N ATOM 0 H ASN A 98 -2.263 -1.378 -8.745 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.820 1.172 -9.080 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.850 -0.019 -11.018 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.138 1.578 -11.145 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.312 -1.465 -12.942 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -2.014 -1.380 -12.475 1.00 0.00 H new