USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 815 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 108 SER OG : rot 180:sc= 1.07 USER MOD Set 1.2: A 124 THR OG1 : rot -103:sc= 1.21 USER MOD Set 2.1: A 95 CYS SG : rot -163:sc= -1.77 USER MOD Set 2.2: A 97 GLN : amide:sc= -1.75 K(o=-3.5,f=-4.9) USER MOD Single : A 4 SER OG : rot -7:sc= 0.918 USER MOD Single : A 6 ASN : amide:sc= -1.97 K(o=-2,f=-3) USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= -0.15 (180deg=-0.217) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0764 X(o=-0.076,f=-0.091) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -2.18! F(o=-3.2,f=-2.2!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 5:sc= -2.21! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= 0.00243 F(o=-1.6!,f=0.0024) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 CYS SG : rot 180:sc= -1 USER MOD Single : A 82 LYS NZ :NH3+ -107:sc= 0.177 (180deg=-0.894) USER MOD Single : A 83 SER OG : rot 118:sc= 0.186 USER MOD Single : A 86 LYS NZ :NH3+ -178:sc= -0.0415 (180deg=-0.0478) USER MOD Single : A 89 SER OG : rot 180:sc= -0.143 USER MOD Single : A 91 ASN : amide:sc= -1.62 K(o=-1.6,f=-8.7!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 166:sc= -5.07! (180deg=-5.19!) USER MOD Single : A 98 LYS NZ :NH3+ 179:sc= -0.414 (180deg=-0.415) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0413 USER MOD Single : A 110 THR OG1 : rot 28:sc= 0.876 USER MOD Single : A 122 THR OG1 : rot 180:sc= -3.35! USER MOD Single : A 123 MET CE :methyl -164:sc= -0.63 (180deg=-1.58!) USER MOD Single : A 130 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= -1.51 USER MOD Single : A 134 TYR OH : rot 180:sc= -0.972 USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 -13.030 2.902 6.347 1.00 0.00 N ATOM 32 CA PHE A 3 -12.248 2.710 5.068 1.00 0.00 C ATOM 33 C PHE A 3 -13.067 3.183 3.852 1.00 0.00 C ATOM 34 O PHE A 3 -12.558 3.882 2.997 1.00 0.00 O ATOM 35 CB PHE A 3 -11.838 1.247 4.819 1.00 0.00 C ATOM 36 CG PHE A 3 -10.920 0.728 5.902 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.443 0.210 7.096 1.00 0.00 C ATOM 38 CD2 PHE A 3 -9.536 0.713 5.687 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.602 -0.324 8.054 1.00 0.00 C ATOM 40 CE2 PHE A 3 -8.688 0.186 6.664 1.00 0.00 C ATOM 41 CZ PHE A 3 -9.226 -0.342 7.851 1.00 0.00 C ATOM 0 HA PHE A 3 -11.344 3.306 5.189 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.730 0.623 4.769 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.340 1.169 3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.509 0.229 7.268 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -9.126 1.108 4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.016 -0.730 8.965 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -7.619 0.184 6.508 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.573 -0.760 8.603 1.00 0.00 H new ATOM 51 N SER A 4 -14.321 2.791 3.749 1.00 0.00 N ATOM 52 CA SER A 4 -15.164 3.191 2.576 1.00 0.00 C ATOM 53 C SER A 4 -15.084 4.707 2.337 1.00 0.00 C ATOM 54 O SER A 4 -15.429 5.494 3.198 1.00 0.00 O ATOM 55 CB SER A 4 -16.621 2.800 2.849 1.00 0.00 C ATOM 56 OG SER A 4 -17.239 3.781 3.675 1.00 0.00 O ATOM 0 H SER A 4 -14.797 2.206 4.435 1.00 0.00 H new ATOM 0 HA SER A 4 -14.794 2.679 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.165 2.709 1.909 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.660 1.825 3.335 1.00 0.00 H new ATOM 0 HG SER A 4 -16.565 4.424 3.980 1.00 0.00 H new ATOM 62 N GLY A 5 -14.639 5.115 1.175 1.00 0.00 N ATOM 63 CA GLY A 5 -14.546 6.574 0.879 1.00 0.00 C ATOM 64 C GLY A 5 -13.303 6.856 0.049 1.00 0.00 C ATOM 65 O GLY A 5 -12.319 6.143 0.114 1.00 0.00 O ATOM 0 H GLY A 5 -14.337 4.500 0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.435 6.902 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.509 7.141 1.809 1.00 0.00 H new ATOM 69 N ASN A 6 -13.339 7.917 -0.701 1.00 0.00 N ATOM 70 CA ASN A 6 -12.161 8.300 -1.519 1.00 0.00 C ATOM 71 C ASN A 6 -11.151 8.902 -0.564 1.00 0.00 C ATOM 72 O ASN A 6 -11.522 9.366 0.500 1.00 0.00 O ATOM 73 CB ASN A 6 -12.562 9.327 -2.581 1.00 0.00 C ATOM 74 CG ASN A 6 -11.371 9.604 -3.501 1.00 0.00 C ATOM 75 OD1 ASN A 6 -10.431 10.269 -3.113 1.00 0.00 O ATOM 76 ND2 ASN A 6 -11.372 9.119 -4.713 1.00 0.00 N ATOM 0 H ASN A 6 -14.142 8.541 -0.783 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.747 7.436 -2.039 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -13.405 8.954 -3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -12.888 10.251 -2.103 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -10.583 9.298 -5.335 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -12.161 8.561 -5.038 1.00 0.00 H new ATOM 83 N TRP A 7 -9.884 8.863 -0.886 1.00 0.00 N ATOM 84 CA TRP A 7 -8.890 9.405 0.085 1.00 0.00 C ATOM 85 C TRP A 7 -7.901 10.363 -0.553 1.00 0.00 C ATOM 86 O TRP A 7 -7.265 10.063 -1.545 1.00 0.00 O ATOM 87 CB TRP A 7 -8.132 8.244 0.687 1.00 0.00 C ATOM 88 CG TRP A 7 -9.087 7.349 1.380 1.00 0.00 C ATOM 89 CD1 TRP A 7 -9.614 6.216 0.875 1.00 0.00 C ATOM 90 CD2 TRP A 7 -9.659 7.524 2.692 1.00 0.00 C ATOM 91 NE1 TRP A 7 -10.437 5.651 1.829 1.00 0.00 N ATOM 92 CE2 TRP A 7 -10.503 6.431 2.971 1.00 0.00 C ATOM 93 CE3 TRP A 7 -9.507 8.518 3.660 1.00 0.00 C ATOM 94 CZ2 TRP A 7 -11.179 6.328 4.187 1.00 0.00 C ATOM 95 CZ3 TRP A 7 -10.187 8.438 4.874 1.00 0.00 C ATOM 96 CH2 TRP A 7 -11.025 7.342 5.145 1.00 0.00 C ATOM 0 H TRP A 7 -9.502 8.490 -1.755 1.00 0.00 H new ATOM 0 HA TRP A 7 -9.437 9.967 0.842 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.601 7.697 -0.092 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -7.381 8.608 1.388 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -9.424 5.817 -0.111 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.934 4.769 1.708 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.856 9.358 3.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.814 5.478 4.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -10.070 9.221 5.609 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -11.549 7.281 6.088 1.00 0.00 H new ATOM 107 N LYS A 8 -7.749 11.511 0.051 1.00 0.00 N ATOM 108 CA LYS A 8 -6.778 12.510 -0.460 1.00 0.00 C ATOM 109 C LYS A 8 -5.446 12.254 0.246 1.00 0.00 C ATOM 110 O LYS A 8 -5.425 11.813 1.381 1.00 0.00 O ATOM 111 CB LYS A 8 -7.244 13.948 -0.145 1.00 0.00 C ATOM 112 CG LYS A 8 -8.778 14.037 -0.043 1.00 0.00 C ATOM 113 CD LYS A 8 -9.188 14.081 1.431 1.00 0.00 C ATOM 114 CE LYS A 8 -9.050 15.511 1.957 1.00 0.00 C ATOM 115 NZ LYS A 8 -10.181 16.339 1.452 1.00 0.00 N ATOM 0 H LYS A 8 -8.263 11.798 0.884 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.687 12.413 -1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.797 14.279 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.891 14.624 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.137 14.928 -0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.237 13.179 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.217 13.739 1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.562 13.406 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.045 15.510 3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.101 15.938 1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.144 17.282 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.107 16.434 0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.082 15.880 1.694 1.00 0.00 H new ATOM 129 N ILE A 9 -4.338 12.520 -0.400 1.00 0.00 N ATOM 130 CA ILE A 9 -3.023 12.279 0.265 1.00 0.00 C ATOM 131 C ILE A 9 -2.831 13.308 1.379 1.00 0.00 C ATOM 132 O ILE A 9 -3.266 14.439 1.283 1.00 0.00 O ATOM 133 CB ILE A 9 -1.884 12.347 -0.771 1.00 0.00 C ATOM 134 CG1 ILE A 9 -0.582 11.787 -0.153 1.00 0.00 C ATOM 135 CG2 ILE A 9 -1.674 13.783 -1.267 1.00 0.00 C ATOM 136 CD1 ILE A 9 0.107 12.804 0.781 1.00 0.00 C ATOM 0 H ILE A 9 -4.288 12.890 -1.349 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.005 11.282 0.706 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.160 11.738 -1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.809 10.879 0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.105 11.506 -0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.865 13.801 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.591 14.145 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.417 14.425 -0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.016 12.364 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.360 13.702 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.568 13.065 1.596 1.00 0.00 H new ATOM 148 N ILE A 10 -2.176 12.907 2.425 1.00 0.00 N ATOM 149 CA ILE A 10 -1.930 13.807 3.576 1.00 0.00 C ATOM 150 C ILE A 10 -0.660 13.311 4.283 1.00 0.00 C ATOM 151 O ILE A 10 -0.623 12.226 4.828 1.00 0.00 O ATOM 152 CB ILE A 10 -3.170 13.765 4.503 1.00 0.00 C ATOM 153 CG1 ILE A 10 -4.266 14.682 3.927 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.835 14.231 5.929 1.00 0.00 C ATOM 155 CD1 ILE A 10 -5.339 13.845 3.222 1.00 0.00 C ATOM 0 H ILE A 10 -1.791 11.969 2.532 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.779 14.842 3.271 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.513 12.732 4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.719 15.267 4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.826 15.390 3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.732 14.186 6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.069 13.582 6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.466 15.256 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.108 14.504 2.819 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.883 13.279 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.790 13.155 3.936 1.00 0.00 H new ATOM 167 N ARG A 11 0.383 14.097 4.248 1.00 0.00 N ATOM 168 CA ARG A 11 1.677 13.700 4.889 1.00 0.00 C ATOM 169 C ARG A 11 2.279 12.516 4.125 1.00 0.00 C ATOM 170 O ARG A 11 1.888 11.381 4.313 1.00 0.00 O ATOM 171 CB ARG A 11 1.448 13.311 6.362 1.00 0.00 C ATOM 172 CG ARG A 11 2.008 14.402 7.278 1.00 0.00 C ATOM 173 CD ARG A 11 1.204 15.689 7.086 1.00 0.00 C ATOM 174 NE ARG A 11 1.234 16.486 8.345 1.00 0.00 N ATOM 175 CZ ARG A 11 0.208 17.222 8.674 1.00 0.00 C ATOM 176 NH1 ARG A 11 -0.876 16.660 9.134 1.00 0.00 N ATOM 177 NH2 ARG A 11 0.265 18.519 8.542 1.00 0.00 N ATOM 0 H ARG A 11 0.396 15.011 3.796 1.00 0.00 H new ATOM 0 HA ARG A 11 2.366 14.544 4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.383 13.176 6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.933 12.359 6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.957 14.080 8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.059 14.579 7.050 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.621 16.271 6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.175 15.451 6.818 1.00 0.00 H new ATOM 0 HE ARG A 11 2.056 16.456 8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.921 15.646 9.236 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.678 17.235 9.391 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.112 18.958 8.181 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.537 19.094 8.799 1.00 0.00 H new ATOM 191 N SER A 12 3.231 12.780 3.265 1.00 0.00 N ATOM 192 CA SER A 12 3.874 11.683 2.480 1.00 0.00 C ATOM 193 C SER A 12 5.369 11.979 2.329 1.00 0.00 C ATOM 194 O SER A 12 5.756 12.943 1.695 1.00 0.00 O ATOM 195 CB SER A 12 3.237 11.604 1.088 1.00 0.00 C ATOM 196 OG SER A 12 3.673 10.416 0.440 1.00 0.00 O ATOM 0 H SER A 12 3.592 13.714 3.072 1.00 0.00 H new ATOM 0 HA SER A 12 3.733 10.736 3.001 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.150 11.609 1.172 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.515 12.477 0.498 1.00 0.00 H new ATOM 0 HG SER A 12 3.266 10.361 -0.450 1.00 0.00 H new ATOM 202 N GLU A 13 6.210 11.155 2.902 1.00 0.00 N ATOM 203 CA GLU A 13 7.682 11.380 2.791 1.00 0.00 C ATOM 204 C GLU A 13 8.414 10.059 3.038 1.00 0.00 C ATOM 205 O GLU A 13 9.192 9.924 3.965 1.00 0.00 O ATOM 206 CB GLU A 13 8.122 12.423 3.823 1.00 0.00 C ATOM 207 CG GLU A 13 9.324 13.201 3.284 1.00 0.00 C ATOM 208 CD GLU A 13 9.450 14.530 4.030 1.00 0.00 C ATOM 209 OE1 GLU A 13 8.580 15.368 3.858 1.00 0.00 O ATOM 210 OE2 GLU A 13 10.413 14.687 4.761 1.00 0.00 O ATOM 0 H GLU A 13 5.939 10.334 3.443 1.00 0.00 H new ATOM 0 HA GLU A 13 7.924 11.745 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.300 13.106 4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.383 11.934 4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.235 12.615 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.204 13.382 2.216 1.00 0.00 H new ATOM 217 N ASN A 14 8.152 9.081 2.215 1.00 0.00 N ATOM 218 CA ASN A 14 8.807 7.748 2.387 1.00 0.00 C ATOM 219 C ASN A 14 9.445 7.267 1.071 1.00 0.00 C ATOM 220 O ASN A 14 10.279 6.389 1.084 1.00 0.00 O ATOM 221 CB ASN A 14 7.756 6.736 2.830 1.00 0.00 C ATOM 222 CG ASN A 14 7.691 6.699 4.359 1.00 0.00 C ATOM 223 OD1 ASN A 14 6.781 7.242 4.953 1.00 0.00 O ATOM 224 ND2 ASN A 14 8.625 6.077 5.024 1.00 0.00 N ATOM 0 H ASN A 14 7.509 9.146 1.426 1.00 0.00 H new ATOM 0 HA ASN A 14 9.593 7.841 3.136 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.782 7.005 2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.002 5.747 2.442 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.591 6.046 6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.389 5.621 4.525 1.00 0.00 H new ATOM 231 N PHE A 15 9.051 7.819 -0.061 1.00 0.00 N ATOM 232 CA PHE A 15 9.615 7.379 -1.387 1.00 0.00 C ATOM 233 C PHE A 15 11.149 7.273 -1.348 1.00 0.00 C ATOM 234 O PHE A 15 11.713 6.273 -1.746 1.00 0.00 O ATOM 235 CB PHE A 15 9.199 8.392 -2.470 1.00 0.00 C ATOM 236 CG PHE A 15 9.356 7.831 -3.888 1.00 0.00 C ATOM 237 CD1 PHE A 15 9.939 6.570 -4.132 1.00 0.00 C ATOM 238 CD2 PHE A 15 8.915 8.601 -4.973 1.00 0.00 C ATOM 239 CE1 PHE A 15 10.074 6.096 -5.439 1.00 0.00 C ATOM 240 CE2 PHE A 15 9.055 8.122 -6.282 1.00 0.00 C ATOM 241 CZ PHE A 15 9.635 6.870 -6.513 1.00 0.00 C ATOM 0 H PHE A 15 8.356 8.563 -0.122 1.00 0.00 H new ATOM 0 HA PHE A 15 9.219 6.389 -1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.161 8.684 -2.311 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.803 9.294 -2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.283 5.968 -3.304 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.465 9.567 -4.799 1.00 0.00 H new ATOM 0 HE1 PHE A 15 10.519 5.128 -5.618 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.715 8.720 -7.114 1.00 0.00 H new ATOM 0 HZ PHE A 15 9.743 6.503 -7.523 1.00 0.00 H new ATOM 251 N GLU A 16 11.828 8.278 -0.881 1.00 0.00 N ATOM 252 CA GLU A 16 13.318 8.195 -0.840 1.00 0.00 C ATOM 253 C GLU A 16 13.737 7.186 0.220 1.00 0.00 C ATOM 254 O GLU A 16 14.732 6.500 0.071 1.00 0.00 O ATOM 255 CB GLU A 16 13.932 9.570 -0.545 1.00 0.00 C ATOM 256 CG GLU A 16 13.217 10.229 0.642 1.00 0.00 C ATOM 257 CD GLU A 16 12.247 11.298 0.134 1.00 0.00 C ATOM 258 OE1 GLU A 16 12.632 12.049 -0.748 1.00 0.00 O ATOM 259 OE2 GLU A 16 11.135 11.348 0.635 1.00 0.00 O ATOM 0 H GLU A 16 11.426 9.146 -0.528 1.00 0.00 H new ATOM 0 HA GLU A 16 13.683 7.868 -1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.994 9.462 -0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.853 10.208 -1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.676 9.477 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.948 10.678 1.315 1.00 0.00 H new ATOM 266 N GLU A 17 12.967 7.055 1.268 1.00 0.00 N ATOM 267 CA GLU A 17 13.303 6.046 2.311 1.00 0.00 C ATOM 268 C GLU A 17 13.197 4.647 1.687 1.00 0.00 C ATOM 269 O GLU A 17 13.777 3.698 2.173 1.00 0.00 O ATOM 270 CB GLU A 17 12.318 6.166 3.474 1.00 0.00 C ATOM 271 CG GLU A 17 13.027 5.824 4.785 1.00 0.00 C ATOM 272 CD GLU A 17 12.244 6.414 5.958 1.00 0.00 C ATOM 273 OE1 GLU A 17 12.291 7.621 6.130 1.00 0.00 O ATOM 274 OE2 GLU A 17 11.610 5.649 6.666 1.00 0.00 O ATOM 0 H GLU A 17 12.124 7.601 1.445 1.00 0.00 H new ATOM 0 HA GLU A 17 14.314 6.213 2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.916 7.178 3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.474 5.494 3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.108 4.743 4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.042 6.220 4.776 1.00 0.00 H new ATOM 281 N LEU A 18 12.462 4.523 0.602 1.00 0.00 N ATOM 282 CA LEU A 18 12.307 3.210 -0.075 1.00 0.00 C ATOM 283 C LEU A 18 13.577 2.882 -0.823 1.00 0.00 C ATOM 284 O LEU A 18 14.103 1.791 -0.720 1.00 0.00 O ATOM 285 CB LEU A 18 11.160 3.265 -1.093 1.00 0.00 C ATOM 286 CG LEU A 18 9.965 4.087 -0.605 1.00 0.00 C ATOM 287 CD1 LEU A 18 8.785 3.798 -1.519 1.00 0.00 C ATOM 288 CD2 LEU A 18 9.567 3.739 0.825 1.00 0.00 C ATOM 0 H LEU A 18 11.960 5.292 0.158 1.00 0.00 H new ATOM 0 HA LEU A 18 12.094 2.454 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.530 3.691 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.829 2.250 -1.315 1.00 0.00 H new ATOM 0 HG LEU A 18 10.247 5.140 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.920 4.374 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.040 4.078 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.548 2.735 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.715 4.349 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.296 2.685 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.405 3.934 1.494 1.00 0.00 H new ATOM 300 N LEU A 19 14.075 3.820 -1.579 1.00 0.00 N ATOM 301 CA LEU A 19 15.318 3.559 -2.335 1.00 0.00 C ATOM 302 C LEU A 19 16.545 3.746 -1.421 1.00 0.00 C ATOM 303 O LEU A 19 17.674 3.605 -1.848 1.00 0.00 O ATOM 304 CB LEU A 19 15.390 4.494 -3.555 1.00 0.00 C ATOM 305 CG LEU A 19 14.096 4.416 -4.417 1.00 0.00 C ATOM 306 CD1 LEU A 19 13.432 3.026 -4.345 1.00 0.00 C ATOM 307 CD2 LEU A 19 13.097 5.479 -3.945 1.00 0.00 C ATOM 0 H LEU A 19 13.673 4.749 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 19 15.316 2.528 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.542 5.520 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.252 4.228 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 19 14.382 4.596 -5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.533 3.020 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.128 2.271 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.165 2.804 -3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.192 5.422 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.846 5.303 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.542 6.469 -4.050 1.00 0.00 H new ATOM 319 N LYS A 20 16.323 4.045 -0.160 1.00 0.00 N ATOM 320 CA LYS A 20 17.440 4.224 0.800 1.00 0.00 C ATOM 321 C LYS A 20 17.515 3.007 1.732 1.00 0.00 C ATOM 322 O LYS A 20 18.537 2.733 2.333 1.00 0.00 O ATOM 323 CB LYS A 20 17.151 5.466 1.637 1.00 0.00 C ATOM 324 CG LYS A 20 17.791 6.682 0.978 1.00 0.00 C ATOM 325 CD LYS A 20 18.002 7.782 2.020 1.00 0.00 C ATOM 326 CE LYS A 20 19.222 7.443 2.880 1.00 0.00 C ATOM 327 NZ LYS A 20 19.591 8.627 3.708 1.00 0.00 N ATOM 0 H LYS A 20 15.394 4.173 0.242 1.00 0.00 H new ATOM 0 HA LYS A 20 18.383 4.329 0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.075 5.613 1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.543 5.337 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.745 6.405 0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.155 7.048 0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 20 18.148 8.743 1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.116 7.878 2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.002 6.591 3.523 1.00 0.00 H new ATOM 0 HE3 LYS A 20 20.059 7.155 2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.420 8.397 4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.818 9.429 3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.793 8.882 4.324 1.00 0.00 H new ATOM 341 N VAL A 21 16.432 2.287 1.855 1.00 0.00 N ATOM 342 CA VAL A 21 16.395 1.099 2.735 1.00 0.00 C ATOM 343 C VAL A 21 16.574 -0.153 1.887 1.00 0.00 C ATOM 344 O VAL A 21 17.122 -1.140 2.342 1.00 0.00 O ATOM 345 CB VAL A 21 15.055 1.056 3.469 1.00 0.00 C ATOM 346 CG1 VAL A 21 14.903 2.316 4.322 1.00 0.00 C ATOM 347 CG2 VAL A 21 13.901 0.977 2.460 1.00 0.00 C ATOM 0 H VAL A 21 15.557 2.482 1.369 1.00 0.00 H new ATOM 0 HA VAL A 21 17.198 1.150 3.470 1.00 0.00 H new ATOM 0 HB VAL A 21 15.027 0.173 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.948 2.287 4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.714 2.364 5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.938 3.196 3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.952 0.947 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.924 1.853 1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.006 0.075 1.857 1.00 0.00 H new ATOM 357 N LEU A 22 16.156 -0.115 0.633 1.00 0.00 N ATOM 358 CA LEU A 22 16.360 -1.306 -0.249 1.00 0.00 C ATOM 359 C LEU A 22 17.857 -1.635 -0.255 1.00 0.00 C ATOM 360 O LEU A 22 18.261 -2.759 -0.486 1.00 0.00 O ATOM 361 CB LEU A 22 15.843 -1.035 -1.688 1.00 0.00 C ATOM 362 CG LEU A 22 16.471 0.206 -2.352 1.00 0.00 C ATOM 363 CD1 LEU A 22 17.960 -0.007 -2.668 1.00 0.00 C ATOM 364 CD2 LEU A 22 15.730 0.447 -3.670 1.00 0.00 C ATOM 0 H LEU A 22 15.690 0.680 0.195 1.00 0.00 H new ATOM 0 HA LEU A 22 15.791 -2.154 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 22 16.046 -1.909 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.761 -0.910 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 22 16.388 1.051 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.365 0.891 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 22 18.502 -0.212 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 22 18.070 -0.851 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.149 1.321 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 22 15.839 -0.426 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.673 0.618 -3.467 1.00 0.00 H new ATOM 643 N VAL A 41 -6.396 7.956 -4.236 1.00 0.00 N ATOM 644 CA VAL A 41 -6.940 6.569 -4.217 1.00 0.00 C ATOM 645 C VAL A 41 -8.455 6.637 -4.013 1.00 0.00 C ATOM 646 O VAL A 41 -9.007 7.692 -3.762 1.00 0.00 O ATOM 647 CB VAL A 41 -6.262 5.767 -3.072 1.00 0.00 C ATOM 648 CG1 VAL A 41 -6.923 6.049 -1.717 1.00 0.00 C ATOM 649 CG2 VAL A 41 -6.342 4.263 -3.367 1.00 0.00 C ATOM 0 HA VAL A 41 -6.733 6.064 -5.160 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.220 6.084 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.422 5.471 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.843 7.111 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.975 5.766 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.864 3.708 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.387 3.963 -3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.832 4.049 -4.306 1.00 0.00 H new ATOM 659 N GLU A 42 -9.115 5.518 -4.080 1.00 0.00 N ATOM 660 CA GLU A 42 -10.580 5.508 -3.846 1.00 0.00 C ATOM 661 C GLU A 42 -10.989 4.131 -3.347 1.00 0.00 C ATOM 662 O GLU A 42 -10.879 3.145 -4.052 1.00 0.00 O ATOM 663 CB GLU A 42 -11.329 5.866 -5.129 1.00 0.00 C ATOM 664 CG GLU A 42 -10.950 4.888 -6.240 1.00 0.00 C ATOM 665 CD GLU A 42 -11.406 5.449 -7.589 1.00 0.00 C ATOM 666 OE1 GLU A 42 -10.753 6.353 -8.084 1.00 0.00 O ATOM 667 OE2 GLU A 42 -12.401 4.965 -8.103 1.00 0.00 O ATOM 0 H GLU A 42 -8.701 4.609 -4.287 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.837 6.254 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.404 5.833 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.086 6.885 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.872 4.728 -6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.415 3.919 -6.061 1.00 0.00 H new ATOM 674 N ILE A 43 -11.443 4.057 -2.124 1.00 0.00 N ATOM 675 CA ILE A 43 -11.840 2.747 -1.559 1.00 0.00 C ATOM 676 C ILE A 43 -13.351 2.582 -1.650 1.00 0.00 C ATOM 677 O ILE A 43 -14.109 3.523 -1.515 1.00 0.00 O ATOM 678 CB ILE A 43 -11.378 2.658 -0.107 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.864 2.897 -0.055 1.00 0.00 C ATOM 680 CG2 ILE A 43 -11.698 1.269 0.456 1.00 0.00 C ATOM 681 CD1 ILE A 43 -9.381 2.906 1.397 1.00 0.00 C ATOM 0 H ILE A 43 -11.554 4.852 -1.495 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.369 1.945 -2.128 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.894 3.409 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.346 2.118 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.622 3.846 -0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.366 1.211 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.773 1.096 0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.183 0.510 -0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.305 3.076 1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.887 3.702 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.607 1.946 1.862 1.00 0.00 H new ATOM 693 N LYS A 44 -13.775 1.383 -1.895 1.00 0.00 N ATOM 694 CA LYS A 44 -15.223 1.088 -2.024 1.00 0.00 C ATOM 695 C LYS A 44 -15.465 -0.236 -1.311 1.00 0.00 C ATOM 696 O LYS A 44 -14.986 -1.266 -1.740 1.00 0.00 O ATOM 697 CB LYS A 44 -15.555 0.975 -3.515 1.00 0.00 C ATOM 698 CG LYS A 44 -15.070 2.238 -4.233 1.00 0.00 C ATOM 699 CD LYS A 44 -15.773 2.372 -5.580 1.00 0.00 C ATOM 700 CE LYS A 44 -15.387 1.206 -6.494 1.00 0.00 C ATOM 701 NZ LYS A 44 -16.580 0.773 -7.275 1.00 0.00 N ATOM 0 H LYS A 44 -13.165 0.574 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.850 1.865 -1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -15.077 0.093 -3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.629 0.853 -3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.271 3.116 -3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.991 2.192 -4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.853 2.388 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.500 3.317 -6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.587 1.509 -7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.006 0.375 -5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.319 -0.019 -7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.330 0.469 -6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.924 1.567 -7.852 1.00 0.00 H new ATOM 715 N GLN A 45 -16.143 -0.221 -0.193 1.00 0.00 N ATOM 716 CA GLN A 45 -16.320 -1.496 0.557 1.00 0.00 C ATOM 717 C GLN A 45 -17.731 -1.662 1.121 1.00 0.00 C ATOM 718 O GLN A 45 -18.408 -0.713 1.464 1.00 0.00 O ATOM 719 CB GLN A 45 -15.312 -1.506 1.708 1.00 0.00 C ATOM 720 CG GLN A 45 -15.557 -0.304 2.627 1.00 0.00 C ATOM 721 CD GLN A 45 -16.374 -0.747 3.845 1.00 0.00 C ATOM 722 OE1 GLN A 45 -17.580 -0.276 4.017 1.00 0.00 O flip ATOM 723 NE2 GLN A 45 -15.911 -1.532 4.648 1.00 0.00 N flip ATOM 0 H GLN A 45 -16.574 0.603 0.226 1.00 0.00 H new ATOM 0 HA GLN A 45 -16.157 -2.324 -0.133 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.403 -2.433 2.275 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.296 -1.472 1.314 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.606 0.120 2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -16.088 0.479 2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.969 -1.901 4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.464 -1.822 5.455 1.00 0.00 H new ATOM 732 N GLU A 46 -18.147 -2.893 1.239 1.00 0.00 N ATOM 733 CA GLU A 46 -19.479 -3.212 1.805 1.00 0.00 C ATOM 734 C GLU A 46 -19.291 -4.319 2.849 1.00 0.00 C ATOM 735 O GLU A 46 -19.385 -5.494 2.544 1.00 0.00 O ATOM 736 CB GLU A 46 -20.398 -3.707 0.690 1.00 0.00 C ATOM 737 CG GLU A 46 -21.853 -3.541 1.124 1.00 0.00 C ATOM 738 CD GLU A 46 -22.779 -3.886 -0.043 1.00 0.00 C ATOM 739 OE1 GLU A 46 -22.682 -3.228 -1.066 1.00 0.00 O ATOM 740 OE2 GLU A 46 -23.570 -4.803 0.106 1.00 0.00 O ATOM 0 H GLU A 46 -17.602 -3.708 0.958 1.00 0.00 H new ATOM 0 HA GLU A 46 -19.925 -2.329 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -20.213 -3.145 -0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -20.190 -4.754 0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -22.066 -4.189 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -22.031 -2.517 1.452 1.00 0.00 H new ATOM 747 N GLY A 47 -18.998 -3.952 4.072 1.00 0.00 N ATOM 748 CA GLY A 47 -18.776 -4.979 5.135 1.00 0.00 C ATOM 749 C GLY A 47 -17.355 -5.534 5.006 1.00 0.00 C ATOM 750 O GLY A 47 -16.400 -4.788 4.893 1.00 0.00 O ATOM 0 H GLY A 47 -18.903 -2.984 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.919 -4.537 6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.504 -5.784 5.038 1.00 0.00 H new ATOM 754 N ASP A 48 -17.206 -6.837 5.013 1.00 0.00 N ATOM 755 CA ASP A 48 -15.850 -7.442 4.881 1.00 0.00 C ATOM 756 C ASP A 48 -15.381 -7.403 3.421 1.00 0.00 C ATOM 757 O ASP A 48 -14.269 -7.793 3.120 1.00 0.00 O ATOM 758 CB ASP A 48 -15.893 -8.886 5.362 1.00 0.00 C ATOM 759 CG ASP A 48 -16.974 -9.652 4.597 1.00 0.00 C ATOM 760 OD1 ASP A 48 -16.786 -9.880 3.413 1.00 0.00 O ATOM 761 OD2 ASP A 48 -17.972 -9.998 5.208 1.00 0.00 O ATOM 0 H ASP A 48 -17.970 -7.507 5.105 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.149 -6.869 5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.923 -9.359 5.211 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.100 -8.917 6.432 1.00 0.00 H new ATOM 766 N THR A 49 -16.199 -6.920 2.515 1.00 0.00 N ATOM 767 CA THR A 49 -15.772 -6.840 1.093 1.00 0.00 C ATOM 768 C THR A 49 -15.120 -5.474 0.871 1.00 0.00 C ATOM 769 O THR A 49 -15.604 -4.472 1.358 1.00 0.00 O ATOM 770 CB THR A 49 -16.996 -6.979 0.187 1.00 0.00 C ATOM 771 OG1 THR A 49 -17.677 -8.187 0.496 1.00 0.00 O ATOM 772 CG2 THR A 49 -16.552 -7.000 -1.274 1.00 0.00 C ATOM 0 H THR A 49 -17.142 -6.580 2.705 1.00 0.00 H new ATOM 0 HA THR A 49 -15.067 -7.638 0.860 1.00 0.00 H new ATOM 0 HB THR A 49 -17.665 -6.134 0.347 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.463 -8.277 -0.083 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.426 -7.099 -1.918 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.031 -6.072 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.882 -7.844 -1.439 1.00 0.00 H new ATOM 780 N PHE A 50 -14.023 -5.420 0.162 1.00 0.00 N ATOM 781 CA PHE A 50 -13.357 -4.105 -0.065 1.00 0.00 C ATOM 782 C PHE A 50 -12.824 -3.998 -1.495 1.00 0.00 C ATOM 783 O PHE A 50 -12.504 -4.976 -2.141 1.00 0.00 O ATOM 784 CB PHE A 50 -12.182 -3.938 0.904 1.00 0.00 C ATOM 785 CG PHE A 50 -12.682 -4.051 2.317 1.00 0.00 C ATOM 786 CD1 PHE A 50 -12.820 -5.309 2.899 1.00 0.00 C ATOM 787 CD2 PHE A 50 -13.025 -2.903 3.037 1.00 0.00 C ATOM 788 CE1 PHE A 50 -13.306 -5.427 4.200 1.00 0.00 C ATOM 789 CE2 PHE A 50 -13.508 -3.018 4.347 1.00 0.00 C ATOM 790 CZ PHE A 50 -13.650 -4.286 4.926 1.00 0.00 C ATOM 0 H PHE A 50 -13.563 -6.223 -0.266 1.00 0.00 H new ATOM 0 HA PHE A 50 -14.100 -3.325 0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.426 -4.700 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.705 -2.970 0.751 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.550 -6.194 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.918 -1.929 2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.417 -6.404 4.647 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.770 -2.133 4.908 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.026 -4.380 5.934 1.00 0.00 H new ATOM 800 N TYR A 51 -12.696 -2.790 -1.957 1.00 0.00 N ATOM 801 CA TYR A 51 -12.148 -2.519 -3.311 1.00 0.00 C ATOM 802 C TYR A 51 -11.127 -1.402 -3.096 1.00 0.00 C ATOM 803 O TYR A 51 -11.292 -0.584 -2.210 1.00 0.00 O ATOM 804 CB TYR A 51 -13.311 -2.119 -4.255 1.00 0.00 C ATOM 805 CG TYR A 51 -12.901 -1.133 -5.337 1.00 0.00 C ATOM 806 CD1 TYR A 51 -12.704 0.213 -5.017 1.00 0.00 C ATOM 807 CD2 TYR A 51 -12.777 -1.557 -6.663 1.00 0.00 C ATOM 808 CE1 TYR A 51 -12.389 1.134 -6.011 1.00 0.00 C ATOM 809 CE2 TYR A 51 -12.447 -0.630 -7.664 1.00 0.00 C ATOM 810 CZ TYR A 51 -12.258 0.715 -7.337 1.00 0.00 C ATOM 811 OH TYR A 51 -11.962 1.631 -8.325 1.00 0.00 O ATOM 0 H TYR A 51 -12.957 -1.953 -1.436 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.668 -3.377 -3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -13.712 -3.017 -4.725 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -14.116 -1.683 -3.663 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.797 0.540 -3.992 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.935 -2.595 -6.917 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -12.246 2.174 -5.757 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.339 -0.957 -8.688 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.800 2.508 -7.920 1.00 0.00 H new ATOM 821 N ILE A 52 -10.064 -1.376 -3.847 1.00 0.00 N ATOM 822 CA ILE A 52 -9.032 -0.322 -3.611 1.00 0.00 C ATOM 823 C ILE A 52 -8.384 0.079 -4.934 1.00 0.00 C ATOM 824 O ILE A 52 -7.636 -0.681 -5.517 1.00 0.00 O ATOM 825 CB ILE A 52 -7.955 -0.860 -2.647 1.00 0.00 C ATOM 826 CG1 ILE A 52 -8.614 -1.681 -1.520 1.00 0.00 C ATOM 827 CG2 ILE A 52 -7.190 0.316 -2.037 1.00 0.00 C ATOM 828 CD1 ILE A 52 -7.554 -2.194 -0.538 1.00 0.00 C ATOM 0 H ILE A 52 -9.863 -2.028 -4.605 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.509 0.553 -3.170 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.269 -1.502 -3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.341 -1.065 -0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.160 -2.522 -1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.428 -0.060 -1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.714 0.892 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.882 0.956 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.037 -2.771 0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.843 -2.828 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.027 -1.348 -0.097 1.00 0.00 H new ATOM 840 N LYS A 53 -8.663 1.267 -5.414 1.00 0.00 N ATOM 841 CA LYS A 53 -8.059 1.705 -6.704 1.00 0.00 C ATOM 842 C LYS A 53 -7.077 2.856 -6.469 1.00 0.00 C ATOM 843 O LYS A 53 -7.460 4.011 -6.426 1.00 0.00 O ATOM 844 CB LYS A 53 -9.159 2.154 -7.664 1.00 0.00 C ATOM 845 CG LYS A 53 -8.554 2.478 -9.038 1.00 0.00 C ATOM 846 CD LYS A 53 -9.165 3.771 -9.584 1.00 0.00 C ATOM 847 CE LYS A 53 -10.378 3.437 -10.454 1.00 0.00 C ATOM 848 NZ LYS A 53 -9.926 3.125 -11.840 1.00 0.00 N ATOM 0 H LYS A 53 -9.280 1.946 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.518 0.865 -7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.909 1.370 -7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.666 3.032 -7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.472 2.584 -8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.740 1.657 -9.730 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.463 4.420 -8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.424 4.317 -10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.916 2.586 -10.035 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.072 4.278 -10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.751 2.898 -12.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.431 3.949 -12.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.280 2.310 -11.819 1.00 0.00 H new ATOM 983 N GLU A 62 -6.460 -2.115 -9.467 1.00 0.00 N ATOM 984 CA GLU A 62 -7.122 -1.992 -8.135 1.00 0.00 C ATOM 985 C GLU A 62 -7.458 -3.388 -7.604 1.00 0.00 C ATOM 986 O GLU A 62 -7.746 -4.290 -8.370 1.00 0.00 O ATOM 987 CB GLU A 62 -8.407 -1.163 -8.283 1.00 0.00 C ATOM 988 CG GLU A 62 -9.364 -1.834 -9.276 1.00 0.00 C ATOM 989 CD GLU A 62 -8.942 -1.493 -10.706 1.00 0.00 C ATOM 990 OE1 GLU A 62 -8.976 -0.323 -11.050 1.00 0.00 O ATOM 991 OE2 GLU A 62 -8.593 -2.408 -11.433 1.00 0.00 O ATOM 0 HA GLU A 62 -6.452 -1.495 -7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.894 -1.058 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.162 -0.158 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.355 -2.914 -9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.385 -1.497 -9.097 1.00 0.00 H new ATOM 998 N ILE A 63 -7.434 -3.577 -6.305 1.00 0.00 N ATOM 999 CA ILE A 63 -7.766 -4.921 -5.750 1.00 0.00 C ATOM 1000 C ILE A 63 -9.229 -4.966 -5.334 1.00 0.00 C ATOM 1001 O ILE A 63 -9.607 -4.493 -4.279 1.00 0.00 O ATOM 1002 CB ILE A 63 -6.875 -5.287 -4.551 1.00 0.00 C ATOM 1003 CG1 ILE A 63 -6.679 -4.084 -3.616 1.00 0.00 C ATOM 1004 CG2 ILE A 63 -5.525 -5.765 -5.070 1.00 0.00 C ATOM 1005 CD1 ILE A 63 -5.844 -4.500 -2.399 1.00 0.00 C ATOM 0 H ILE A 63 -7.201 -2.864 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.582 -5.653 -6.536 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.361 -6.078 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.181 -3.275 -4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.647 -3.703 -3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.884 -6.028 -4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.668 -6.640 -5.704 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.056 -4.970 -5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.709 -3.642 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.359 -5.295 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.870 -4.859 -2.732 1.00 0.00 H new ATOM 1017 N ASN A 64 -10.046 -5.567 -6.154 1.00 0.00 N ATOM 1018 CA ASN A 64 -11.493 -5.702 -5.809 1.00 0.00 C ATOM 1019 C ASN A 64 -11.655 -7.053 -5.122 1.00 0.00 C ATOM 1020 O ASN A 64 -12.101 -8.027 -5.701 1.00 0.00 O ATOM 1021 CB ASN A 64 -12.406 -5.616 -7.053 1.00 0.00 C ATOM 1022 CG ASN A 64 -11.748 -6.210 -8.315 1.00 0.00 C ATOM 1023 OD1 ASN A 64 -10.971 -7.259 -8.233 1.00 0.00 O flip ATOM 1024 ND2 ASN A 64 -11.949 -5.703 -9.400 1.00 0.00 N flip ATOM 0 H ASN A 64 -9.775 -5.972 -7.050 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.795 -4.880 -5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.338 -6.143 -6.852 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.663 -4.573 -7.239 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.553 -4.885 -9.477 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.514 -6.096 -10.235 1.00 0.00 H new ATOM 1031 N PHE A 65 -11.243 -7.112 -3.893 1.00 0.00 N ATOM 1032 CA PHE A 65 -11.283 -8.387 -3.133 1.00 0.00 C ATOM 1033 C PHE A 65 -12.263 -8.283 -1.958 1.00 0.00 C ATOM 1034 O PHE A 65 -13.097 -7.408 -1.898 1.00 0.00 O ATOM 1035 CB PHE A 65 -9.849 -8.644 -2.598 1.00 0.00 C ATOM 1036 CG PHE A 65 -9.509 -7.619 -1.519 1.00 0.00 C ATOM 1037 CD1 PHE A 65 -9.094 -6.334 -1.884 1.00 0.00 C ATOM 1038 CD2 PHE A 65 -9.663 -7.939 -0.160 1.00 0.00 C ATOM 1039 CE1 PHE A 65 -8.830 -5.374 -0.911 1.00 0.00 C ATOM 1040 CE2 PHE A 65 -9.404 -6.974 0.817 1.00 0.00 C ATOM 1041 CZ PHE A 65 -8.988 -5.691 0.443 1.00 0.00 C ATOM 0 H PHE A 65 -10.873 -6.317 -3.372 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.617 -9.202 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.778 -9.652 -2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.129 -8.579 -3.414 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.978 -6.085 -2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.981 -8.930 0.129 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.504 -4.386 -1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.525 -7.219 1.862 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.789 -4.946 1.199 1.00 0.00 H new ATOM 1051 N LYS A 66 -12.107 -9.166 -1.015 1.00 0.00 N ATOM 1052 CA LYS A 66 -12.926 -9.170 0.216 1.00 0.00 C ATOM 1053 C LYS A 66 -12.017 -9.743 1.292 1.00 0.00 C ATOM 1054 O LYS A 66 -11.493 -10.830 1.144 1.00 0.00 O ATOM 1055 CB LYS A 66 -14.177 -10.036 0.048 1.00 0.00 C ATOM 1056 CG LYS A 66 -13.841 -11.342 -0.688 1.00 0.00 C ATOM 1057 CD LYS A 66 -14.291 -12.545 0.147 1.00 0.00 C ATOM 1058 CE LYS A 66 -14.112 -13.827 -0.667 1.00 0.00 C ATOM 1059 NZ LYS A 66 -15.287 -14.015 -1.564 1.00 0.00 N ATOM 0 H LYS A 66 -11.415 -9.914 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.282 -8.170 0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.602 -10.263 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.935 -9.484 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.334 -11.359 -1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.768 -11.399 -0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.708 -12.601 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.335 -12.429 0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.197 -13.771 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.010 -14.683 0.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.165 -14.887 -2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.153 -14.086 -0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.364 -13.203 -2.209 1.00 0.00 H new ATOM 1073 N VAL A 67 -11.770 -8.996 2.340 1.00 0.00 N ATOM 1074 CA VAL A 67 -10.830 -9.456 3.414 1.00 0.00 C ATOM 1075 C VAL A 67 -11.081 -10.927 3.779 1.00 0.00 C ATOM 1076 O VAL A 67 -12.202 -11.399 3.798 1.00 0.00 O ATOM 1077 CB VAL A 67 -10.980 -8.562 4.645 1.00 0.00 C ATOM 1078 CG1 VAL A 67 -10.005 -9.026 5.729 1.00 0.00 C ATOM 1079 CG2 VAL A 67 -10.635 -7.121 4.268 1.00 0.00 C ATOM 0 H VAL A 67 -12.183 -8.077 2.500 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.809 -9.380 3.039 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.005 -8.620 5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.109 -8.391 6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.226 -10.059 5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.984 -8.960 5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.741 -6.481 5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.607 -7.075 3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.310 -6.778 3.484 1.00 0.00 H new ATOM 1089 N GLY A 68 -10.023 -11.647 4.024 1.00 0.00 N ATOM 1090 CA GLY A 68 -10.143 -13.095 4.340 1.00 0.00 C ATOM 1091 C GLY A 68 -9.702 -13.911 3.114 1.00 0.00 C ATOM 1092 O GLY A 68 -9.913 -15.108 3.054 1.00 0.00 O ATOM 0 H GLY A 68 -9.068 -11.288 4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.524 -13.345 5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.172 -13.339 4.605 1.00 0.00 H new ATOM 1096 N GLU A 69 -9.089 -13.274 2.133 1.00 0.00 N ATOM 1097 CA GLU A 69 -8.639 -14.014 0.921 1.00 0.00 C ATOM 1098 C GLU A 69 -7.316 -13.429 0.414 1.00 0.00 C ATOM 1099 O GLU A 69 -6.787 -12.481 0.969 1.00 0.00 O ATOM 1100 CB GLU A 69 -9.704 -13.906 -0.174 1.00 0.00 C ATOM 1101 CG GLU A 69 -9.976 -12.433 -0.490 1.00 0.00 C ATOM 1102 CD GLU A 69 -9.260 -12.042 -1.786 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -8.050 -11.894 -1.749 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -9.935 -11.899 -2.792 1.00 0.00 O ATOM 0 H GLU A 69 -8.886 -12.274 2.129 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.490 -15.063 1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.369 -14.424 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.623 -14.393 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.048 -12.265 -0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.631 -11.805 0.331 1.00 0.00 H new ATOM 1111 N GLU A 70 -6.771 -14.008 -0.625 1.00 0.00 N ATOM 1112 CA GLU A 70 -5.467 -13.521 -1.171 1.00 0.00 C ATOM 1113 C GLU A 70 -5.585 -13.076 -2.623 1.00 0.00 C ATOM 1114 O GLU A 70 -6.543 -13.366 -3.314 1.00 0.00 O ATOM 1115 CB GLU A 70 -4.441 -14.661 -1.142 1.00 0.00 C ATOM 1116 CG GLU A 70 -5.064 -15.951 -1.691 1.00 0.00 C ATOM 1117 CD GLU A 70 -5.465 -16.866 -0.533 1.00 0.00 C ATOM 1118 OE1 GLU A 70 -6.589 -16.750 -0.073 1.00 0.00 O ATOM 1119 OE2 GLU A 70 -4.641 -17.669 -0.125 1.00 0.00 O ATOM 0 H GLU A 70 -7.175 -14.802 -1.122 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.162 -12.677 -0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.568 -14.389 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.095 -14.822 -0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.937 -15.714 -2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.353 -16.461 -2.340 1.00 0.00 H new ATOM 1126 N PHE A 71 -4.553 -12.429 -3.097 1.00 0.00 N ATOM 1127 CA PHE A 71 -4.495 -12.007 -4.517 1.00 0.00 C ATOM 1128 C PHE A 71 -3.257 -12.664 -5.105 1.00 0.00 C ATOM 1129 O PHE A 71 -2.605 -13.460 -4.457 1.00 0.00 O ATOM 1130 CB PHE A 71 -4.343 -10.480 -4.679 1.00 0.00 C ATOM 1131 CG PHE A 71 -5.027 -9.694 -3.580 1.00 0.00 C ATOM 1132 CD1 PHE A 71 -6.260 -10.100 -3.055 1.00 0.00 C ATOM 1133 CD2 PHE A 71 -4.421 -8.522 -3.109 1.00 0.00 C ATOM 1134 CE1 PHE A 71 -6.878 -9.330 -2.057 1.00 0.00 C ATOM 1135 CE2 PHE A 71 -5.043 -7.756 -2.124 1.00 0.00 C ATOM 1136 CZ PHE A 71 -6.266 -8.157 -1.599 1.00 0.00 C ATOM 0 H PHE A 71 -3.735 -12.173 -2.544 1.00 0.00 H new ATOM 0 HA PHE A 71 -5.422 -12.296 -5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.283 -10.226 -4.693 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.755 -10.180 -5.642 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -6.733 -11.001 -3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.468 -8.211 -3.511 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.825 -9.642 -1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.574 -6.850 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.745 -7.562 -0.836 1.00 0.00 H new ATOM 1146 N GLU A 72 -2.914 -12.322 -6.308 1.00 0.00 N ATOM 1147 CA GLU A 72 -1.693 -12.906 -6.926 1.00 0.00 C ATOM 1148 C GLU A 72 -0.834 -11.785 -7.486 1.00 0.00 C ATOM 1149 O GLU A 72 -1.315 -10.708 -7.782 1.00 0.00 O ATOM 1150 CB GLU A 72 -2.062 -13.857 -8.054 1.00 0.00 C ATOM 1151 CG GLU A 72 -3.065 -14.885 -7.541 1.00 0.00 C ATOM 1152 CD GLU A 72 -3.794 -15.528 -8.722 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -3.120 -16.023 -9.611 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -5.014 -15.516 -8.719 1.00 0.00 O ATOM 0 H GLU A 72 -3.425 -11.662 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.146 -13.460 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.489 -13.301 -8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.170 -14.358 -8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.551 -15.650 -6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.783 -14.406 -6.875 1.00 0.00 H new ATOM 1161 N GLU A 73 0.433 -12.037 -7.630 1.00 0.00 N ATOM 1162 CA GLU A 73 1.343 -10.987 -8.174 1.00 0.00 C ATOM 1163 C GLU A 73 2.678 -11.607 -8.582 1.00 0.00 C ATOM 1164 O GLU A 73 2.860 -12.807 -8.530 1.00 0.00 O ATOM 1165 CB GLU A 73 1.577 -9.917 -7.103 1.00 0.00 C ATOM 1166 CG GLU A 73 1.580 -8.528 -7.750 1.00 0.00 C ATOM 1167 CD GLU A 73 0.184 -7.911 -7.642 1.00 0.00 C ATOM 1168 OE1 GLU A 73 -0.354 -7.899 -6.548 1.00 0.00 O ATOM 1169 OE2 GLU A 73 -0.323 -7.460 -8.657 1.00 0.00 O ATOM 0 H GLU A 73 0.881 -12.923 -7.396 1.00 0.00 H new ATOM 0 HA GLU A 73 0.883 -10.534 -9.052 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.797 -9.973 -6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.527 -10.096 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.311 -7.887 -7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.876 -8.603 -8.796 1.00 0.00 H new ATOM 1280 N CYS A 81 4.941 -13.769 -6.468 1.00 0.00 N ATOM 1281 CA CYS A 81 4.509 -13.315 -5.113 1.00 0.00 C ATOM 1282 C CYS A 81 3.012 -13.028 -5.090 1.00 0.00 C ATOM 1283 O CYS A 81 2.461 -12.411 -5.980 1.00 0.00 O ATOM 1284 CB CYS A 81 5.272 -12.041 -4.725 1.00 0.00 C ATOM 1285 SG CYS A 81 5.037 -10.773 -5.995 1.00 0.00 S ATOM 0 HA CYS A 81 4.727 -14.111 -4.400 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.918 -11.674 -3.762 1.00 0.00 H new ATOM 0 HB3 CYS A 81 6.333 -12.262 -4.611 1.00 0.00 H new ATOM 0 HG CYS A 81 5.684 -9.697 -5.659 1.00 0.00 H new ATOM 1291 N LYS A 82 2.367 -13.461 -4.049 1.00 0.00 N ATOM 1292 CA LYS A 82 0.911 -13.225 -3.892 1.00 0.00 C ATOM 1293 C LYS A 82 0.700 -12.309 -2.692 1.00 0.00 C ATOM 1294 O LYS A 82 1.644 -11.788 -2.125 1.00 0.00 O ATOM 1295 CB LYS A 82 0.205 -14.555 -3.653 1.00 0.00 C ATOM 1296 CG LYS A 82 0.809 -15.268 -2.428 1.00 0.00 C ATOM 1297 CD LYS A 82 0.152 -16.647 -2.225 1.00 0.00 C ATOM 1298 CE LYS A 82 -1.371 -16.548 -2.375 1.00 0.00 C ATOM 1299 NZ LYS A 82 -2.033 -17.536 -1.475 1.00 0.00 N ATOM 0 H LYS A 82 2.798 -13.980 -3.284 1.00 0.00 H new ATOM 0 HA LYS A 82 0.503 -12.763 -4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.860 -14.386 -3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.300 -15.189 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.884 -15.388 -2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.666 -14.656 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.549 -17.355 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.401 -17.032 -1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.705 -15.539 -2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.657 -16.737 -3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.418 -18.318 -2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.338 -17.909 -0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.806 -17.071 -0.957 1.00 0.00 H new ATOM 1313 N SER A 83 -0.524 -12.110 -2.307 1.00 0.00 N ATOM 1314 CA SER A 83 -0.808 -11.222 -1.143 1.00 0.00 C ATOM 1315 C SER A 83 -1.990 -11.752 -0.349 1.00 0.00 C ATOM 1316 O SER A 83 -2.587 -12.742 -0.703 1.00 0.00 O ATOM 1317 CB SER A 83 -1.142 -9.828 -1.658 1.00 0.00 C ATOM 1318 OG SER A 83 -2.157 -9.937 -2.649 1.00 0.00 O ATOM 0 H SER A 83 -1.346 -12.524 -2.747 1.00 0.00 H new ATOM 0 HA SER A 83 0.068 -11.190 -0.496 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.481 -9.194 -0.839 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.253 -9.358 -2.078 1.00 0.00 H new ATOM 0 HG SER A 83 -2.959 -9.459 -2.350 1.00 0.00 H new ATOM 1324 N LEU A 84 -2.333 -11.086 0.722 1.00 0.00 N ATOM 1325 CA LEU A 84 -3.498 -11.545 1.540 1.00 0.00 C ATOM 1326 C LEU A 84 -3.883 -10.476 2.557 1.00 0.00 C ATOM 1327 O LEU A 84 -3.100 -10.109 3.407 1.00 0.00 O ATOM 1328 CB LEU A 84 -3.148 -12.847 2.255 1.00 0.00 C ATOM 1329 CG LEU A 84 -4.343 -13.796 2.173 1.00 0.00 C ATOM 1330 CD1 LEU A 84 -3.856 -15.238 2.269 1.00 0.00 C ATOM 1331 CD2 LEU A 84 -5.313 -13.500 3.315 1.00 0.00 C ATOM 0 H LEU A 84 -1.861 -10.249 1.065 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.347 -11.719 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.272 -13.305 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.896 -12.649 3.297 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.856 -13.652 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.709 -15.915 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.171 -15.446 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.340 -15.385 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.164 -14.178 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.805 -13.640 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.663 -12.471 3.238 1.00 0.00 H new ATOM 1343 N VAL A 85 -5.090 -9.975 2.460 1.00 0.00 N ATOM 1344 CA VAL A 85 -5.548 -8.908 3.398 1.00 0.00 C ATOM 1345 C VAL A 85 -6.213 -9.516 4.644 1.00 0.00 C ATOM 1346 O VAL A 85 -6.883 -10.527 4.583 1.00 0.00 O ATOM 1347 CB VAL A 85 -6.537 -7.991 2.653 1.00 0.00 C ATOM 1348 CG1 VAL A 85 -7.200 -6.998 3.622 1.00 0.00 C ATOM 1349 CG2 VAL A 85 -5.777 -7.208 1.580 1.00 0.00 C ATOM 0 H VAL A 85 -5.780 -10.262 1.766 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.688 -8.331 3.736 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.313 -8.608 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.894 -6.362 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.743 -7.547 4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.434 -6.380 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.469 -6.556 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.000 -6.606 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.320 -7.904 0.877 1.00 0.00 H new ATOM 1359 N LYS A 86 -6.034 -8.866 5.767 1.00 0.00 N ATOM 1360 CA LYS A 86 -6.641 -9.333 7.041 1.00 0.00 C ATOM 1361 C LYS A 86 -6.911 -8.115 7.934 1.00 0.00 C ATOM 1362 O LYS A 86 -6.974 -6.994 7.469 1.00 0.00 O ATOM 1363 CB LYS A 86 -5.672 -10.292 7.738 1.00 0.00 C ATOM 1364 CG LYS A 86 -6.437 -11.475 8.345 1.00 0.00 C ATOM 1365 CD LYS A 86 -7.159 -12.263 7.243 1.00 0.00 C ATOM 1366 CE LYS A 86 -8.670 -12.001 7.313 1.00 0.00 C ATOM 1367 NZ LYS A 86 -9.361 -13.211 7.841 1.00 0.00 N ATOM 0 H LYS A 86 -5.480 -8.014 5.851 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.578 -9.855 6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.933 -10.656 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.126 -9.764 8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.746 -12.129 8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.160 -11.113 9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.776 -11.971 6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.961 -13.329 7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.872 -11.144 7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.053 -11.754 6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.388 -13.046 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.151 -14.025 7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.028 -13.408 8.806 1.00 0.00 H new ATOM 1381 N TRP A 87 -7.088 -8.338 9.206 1.00 0.00 N ATOM 1382 CA TRP A 87 -7.371 -7.217 10.151 1.00 0.00 C ATOM 1383 C TRP A 87 -6.377 -7.213 11.306 1.00 0.00 C ATOM 1384 O TRP A 87 -5.463 -8.010 11.378 1.00 0.00 O ATOM 1385 CB TRP A 87 -8.758 -7.409 10.734 1.00 0.00 C ATOM 1386 CG TRP A 87 -9.733 -7.346 9.636 1.00 0.00 C ATOM 1387 CD1 TRP A 87 -10.270 -8.414 9.032 1.00 0.00 C ATOM 1388 CD2 TRP A 87 -10.275 -6.173 8.979 1.00 0.00 C ATOM 1389 NE1 TRP A 87 -11.147 -7.977 8.070 1.00 0.00 N ATOM 1390 CE2 TRP A 87 -11.176 -6.602 7.989 1.00 0.00 C ATOM 1391 CE3 TRP A 87 -10.079 -4.792 9.153 1.00 0.00 C ATOM 1392 CZ2 TRP A 87 -11.864 -5.698 7.192 1.00 0.00 C ATOM 1393 CZ3 TRP A 87 -10.768 -3.875 8.347 1.00 0.00 C ATOM 1394 CH2 TRP A 87 -11.660 -4.329 7.368 1.00 0.00 C ATOM 0 H TRP A 87 -7.048 -9.261 9.639 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.293 -6.278 9.604 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.825 -8.369 11.247 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.969 -6.637 11.474 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -10.050 -9.446 9.263 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -11.709 -8.596 7.486 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -9.396 -4.436 9.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.553 -6.052 6.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -10.610 -2.815 8.482 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -12.190 -3.620 6.749 1.00 0.00 H new ATOM 1405 N GLU A 88 -6.587 -6.313 12.218 1.00 0.00 N ATOM 1406 CA GLU A 88 -5.718 -6.200 13.418 1.00 0.00 C ATOM 1407 C GLU A 88 -6.641 -5.958 14.618 1.00 0.00 C ATOM 1408 O GLU A 88 -6.659 -6.710 15.574 1.00 0.00 O ATOM 1409 CB GLU A 88 -4.734 -5.023 13.196 1.00 0.00 C ATOM 1410 CG GLU A 88 -4.326 -4.335 14.511 1.00 0.00 C ATOM 1411 CD GLU A 88 -3.582 -5.329 15.404 1.00 0.00 C ATOM 1412 OE1 GLU A 88 -4.174 -6.336 15.758 1.00 0.00 O ATOM 1413 OE2 GLU A 88 -2.433 -5.067 15.720 1.00 0.00 O ATOM 0 H GLU A 88 -7.345 -5.632 12.182 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.128 -7.099 13.598 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.841 -5.391 12.691 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.195 -4.289 12.534 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.691 -3.475 14.301 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.210 -3.960 15.026 1.00 0.00 H new ATOM 1420 N SER A 89 -7.403 -4.906 14.550 1.00 0.00 N ATOM 1421 CA SER A 89 -8.343 -4.568 15.652 1.00 0.00 C ATOM 1422 C SER A 89 -9.774 -4.596 15.116 1.00 0.00 C ATOM 1423 O SER A 89 -10.649 -5.234 15.663 1.00 0.00 O ATOM 1424 CB SER A 89 -8.027 -3.161 16.156 1.00 0.00 C ATOM 1425 OG SER A 89 -7.932 -2.278 15.040 1.00 0.00 O ATOM 0 H SER A 89 -7.415 -4.255 13.765 1.00 0.00 H new ATOM 0 HA SER A 89 -8.239 -5.288 16.464 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.806 -2.822 16.839 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.091 -3.163 16.715 1.00 0.00 H new ATOM 0 HG SER A 89 -7.731 -1.372 15.356 1.00 0.00 H new ATOM 1431 N GLU A 90 -9.995 -3.891 14.043 1.00 0.00 N ATOM 1432 CA GLU A 90 -11.346 -3.811 13.403 1.00 0.00 C ATOM 1433 C GLU A 90 -11.291 -2.694 12.364 1.00 0.00 C ATOM 1434 O GLU A 90 -11.856 -2.788 11.294 1.00 0.00 O ATOM 1435 CB GLU A 90 -12.436 -3.487 14.438 1.00 0.00 C ATOM 1436 CG GLU A 90 -12.025 -2.264 15.264 1.00 0.00 C ATOM 1437 CD GLU A 90 -12.485 -2.444 16.712 1.00 0.00 C ATOM 1438 OE1 GLU A 90 -12.048 -3.396 17.338 1.00 0.00 O ATOM 1439 OE2 GLU A 90 -13.267 -1.627 17.171 1.00 0.00 O ATOM 0 H GLU A 90 -9.275 -3.349 13.565 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.594 -4.771 12.950 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.383 -3.294 13.933 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.593 -4.343 15.094 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.943 -2.136 15.229 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.467 -1.362 14.841 1.00 0.00 H new ATOM 1446 N ASN A 91 -10.566 -1.654 12.673 1.00 0.00 N ATOM 1447 CA ASN A 91 -10.395 -0.522 11.722 1.00 0.00 C ATOM 1448 C ASN A 91 -8.950 -0.523 11.211 1.00 0.00 C ATOM 1449 O ASN A 91 -8.570 0.328 10.431 1.00 0.00 O ATOM 1450 CB ASN A 91 -10.674 0.796 12.429 1.00 0.00 C ATOM 1451 CG ASN A 91 -12.102 0.815 12.980 1.00 0.00 C ATOM 1452 OD1 ASN A 91 -12.782 -0.192 12.991 1.00 0.00 O ATOM 1453 ND2 ASN A 91 -12.589 1.937 13.434 1.00 0.00 N ATOM 0 H ASN A 91 -10.077 -1.540 13.561 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.091 -0.635 10.891 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.962 0.938 13.242 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.534 1.625 11.735 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.541 1.969 13.799 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.018 2.782 13.424 1.00 0.00 H new ATOM 1460 N LYS A 92 -8.140 -1.473 11.639 1.00 0.00 N ATOM 1461 CA LYS A 92 -6.746 -1.537 11.159 1.00 0.00 C ATOM 1462 C LYS A 92 -6.576 -2.874 10.437 1.00 0.00 C ATOM 1463 O LYS A 92 -6.723 -3.922 11.025 1.00 0.00 O ATOM 1464 CB LYS A 92 -5.792 -1.458 12.350 1.00 0.00 C ATOM 1465 CG LYS A 92 -4.408 -1.046 11.861 1.00 0.00 C ATOM 1466 CD LYS A 92 -3.587 -2.293 11.529 1.00 0.00 C ATOM 1467 CE LYS A 92 -2.142 -1.888 11.231 1.00 0.00 C ATOM 1468 NZ LYS A 92 -1.228 -3.009 11.588 1.00 0.00 N ATOM 0 H LYS A 92 -8.402 -2.202 12.303 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.524 -0.708 10.487 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.162 -0.738 13.080 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.740 -2.423 12.853 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.497 -0.412 10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.901 -0.458 12.626 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.615 -2.993 12.364 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.017 -2.806 10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.033 -1.638 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.879 -0.995 11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.246 -2.734 11.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.325 -3.227 12.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.475 -3.850 11.028 1.00 0.00 H new ATOM 1482 N MET A 93 -6.291 -2.845 9.167 1.00 0.00 N ATOM 1483 CA MET A 93 -6.130 -4.108 8.399 1.00 0.00 C ATOM 1484 C MET A 93 -4.754 -4.164 7.768 1.00 0.00 C ATOM 1485 O MET A 93 -4.078 -3.167 7.604 1.00 0.00 O ATOM 1486 CB MET A 93 -7.190 -4.263 7.290 1.00 0.00 C ATOM 1487 CG MET A 93 -7.685 -2.903 6.775 1.00 0.00 C ATOM 1488 SD MET A 93 -8.026 -3.003 4.998 1.00 0.00 S ATOM 1489 CE MET A 93 -9.128 -4.436 5.063 1.00 0.00 C ATOM 0 H MET A 93 -6.162 -1.992 8.623 1.00 0.00 H new ATOM 0 HA MET A 93 -6.259 -4.925 9.109 1.00 0.00 H new ATOM 0 HB2 MET A 93 -6.768 -4.833 6.462 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.035 -4.835 7.673 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.587 -2.608 7.311 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.934 -2.136 6.968 1.00 0.00 H new ATOM 0 HE1 MET A 93 -9.658 -4.530 4.115 1.00 0.00 H new ATOM 0 HE2 MET A 93 -8.542 -5.338 5.242 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.848 -4.305 5.870 1.00 0.00 H new ATOM 1499 N VAL A 94 -4.346 -5.345 7.427 1.00 0.00 N ATOM 1500 CA VAL A 94 -3.009 -5.542 6.809 1.00 0.00 C ATOM 1501 C VAL A 94 -3.160 -6.205 5.449 1.00 0.00 C ATOM 1502 O VAL A 94 -4.247 -6.447 4.967 1.00 0.00 O ATOM 1503 CB VAL A 94 -2.169 -6.460 7.700 1.00 0.00 C ATOM 1504 CG1 VAL A 94 -1.674 -5.690 8.921 1.00 0.00 C ATOM 1505 CG2 VAL A 94 -3.029 -7.637 8.151 1.00 0.00 C ATOM 0 H VAL A 94 -4.889 -6.199 7.551 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.525 -4.572 6.698 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.308 -6.824 7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.077 -6.350 9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.063 -4.848 8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.528 -5.321 9.489 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.438 -8.297 8.787 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.888 -7.267 8.711 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.376 -8.190 7.278 1.00 0.00 H new ATOM 1515 N CYS A 95 -2.055 -6.511 4.847 1.00 0.00 N ATOM 1516 CA CYS A 95 -2.058 -7.188 3.530 1.00 0.00 C ATOM 1517 C CYS A 95 -0.662 -7.738 3.316 1.00 0.00 C ATOM 1518 O CYS A 95 0.141 -7.158 2.617 1.00 0.00 O ATOM 1519 CB CYS A 95 -2.404 -6.200 2.429 1.00 0.00 C ATOM 1520 SG CYS A 95 -2.598 -7.088 0.864 1.00 0.00 S ATOM 0 H CYS A 95 -1.126 -6.316 5.221 1.00 0.00 H new ATOM 0 HA CYS A 95 -2.802 -7.984 3.505 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -3.324 -5.671 2.676 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.619 -5.449 2.339 1.00 0.00 H new ATOM 0 HG CYS A 95 -2.527 -6.246 -0.124 1.00 0.00 H new ATOM 1526 N GLU A 96 -0.356 -8.830 3.957 1.00 0.00 N ATOM 1527 CA GLU A 96 1.016 -9.393 3.843 1.00 0.00 C ATOM 1528 C GLU A 96 1.269 -9.953 2.447 1.00 0.00 C ATOM 1529 O GLU A 96 0.726 -10.973 2.065 1.00 0.00 O ATOM 1530 CB GLU A 96 1.219 -10.500 4.872 1.00 0.00 C ATOM 1531 CG GLU A 96 2.703 -10.866 4.909 1.00 0.00 C ATOM 1532 CD GLU A 96 2.905 -12.107 5.781 1.00 0.00 C ATOM 1533 OE1 GLU A 96 2.261 -12.193 6.813 1.00 0.00 O ATOM 1534 OE2 GLU A 96 3.699 -12.951 5.400 1.00 0.00 O ATOM 0 H GLU A 96 -0.995 -9.356 4.553 1.00 0.00 H new ATOM 0 HA GLU A 96 1.722 -8.584 4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.887 -10.168 5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.621 -11.373 4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.066 -11.056 3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.283 -10.033 5.305 1.00 0.00 H new ATOM 1541 N GLN A 97 2.116 -9.301 1.698 1.00 0.00 N ATOM 1542 CA GLN A 97 2.453 -9.782 0.340 1.00 0.00 C ATOM 1543 C GLN A 97 3.780 -10.545 0.415 1.00 0.00 C ATOM 1544 O GLN A 97 4.772 -10.017 0.883 1.00 0.00 O ATOM 1545 CB GLN A 97 2.604 -8.579 -0.588 1.00 0.00 C ATOM 1546 CG GLN A 97 1.291 -7.794 -0.636 1.00 0.00 C ATOM 1547 CD GLN A 97 1.056 -7.262 -2.053 1.00 0.00 C ATOM 1548 OE1 GLN A 97 1.974 -7.172 -2.844 1.00 0.00 O ATOM 1549 NE2 GLN A 97 -0.147 -6.902 -2.408 1.00 0.00 N ATOM 0 H GLN A 97 2.592 -8.444 1.979 1.00 0.00 H new ATOM 0 HA GLN A 97 1.669 -10.436 -0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.410 -7.936 -0.236 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.876 -8.912 -1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.462 -8.435 -0.336 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.326 -6.966 0.072 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.918 -6.977 -1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.316 -6.546 -3.349 1.00 0.00 H new ATOM 1558 N LYS A 98 3.810 -11.784 -0.019 1.00 0.00 N ATOM 1559 CA LYS A 98 5.089 -12.565 0.058 1.00 0.00 C ATOM 1560 C LYS A 98 5.444 -13.153 -1.310 1.00 0.00 C ATOM 1561 O LYS A 98 4.614 -13.231 -2.194 1.00 0.00 O ATOM 1562 CB LYS A 98 4.928 -13.702 1.070 1.00 0.00 C ATOM 1563 CG LYS A 98 3.686 -14.526 0.722 1.00 0.00 C ATOM 1564 CD LYS A 98 3.496 -15.638 1.759 1.00 0.00 C ATOM 1565 CE LYS A 98 4.062 -16.952 1.215 1.00 0.00 C ATOM 1566 NZ LYS A 98 3.018 -17.644 0.407 1.00 0.00 N ATOM 0 H LYS A 98 3.016 -12.284 -0.418 1.00 0.00 H new ATOM 0 HA LYS A 98 5.890 -11.895 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.813 -14.338 1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.837 -13.296 2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.806 -13.883 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.792 -14.958 -0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.999 -15.371 2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.437 -15.755 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.941 -16.756 0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.383 -17.591 2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.406 -18.529 0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.198 -17.859 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.720 -17.028 -0.376 1.00 0.00 H new ATOM 1580 N LEU A 99 6.674 -13.581 -1.482 1.00 0.00 N ATOM 1581 CA LEU A 99 7.086 -14.185 -2.793 1.00 0.00 C ATOM 1582 C LEU A 99 7.075 -15.709 -2.677 1.00 0.00 C ATOM 1583 O LEU A 99 7.914 -16.393 -3.232 1.00 0.00 O ATOM 1584 CB LEU A 99 8.477 -13.701 -3.260 1.00 0.00 C ATOM 1585 CG LEU A 99 9.394 -13.409 -2.074 1.00 0.00 C ATOM 1586 CD1 LEU A 99 10.845 -13.708 -2.460 1.00 0.00 C ATOM 1587 CD2 LEU A 99 9.269 -11.932 -1.694 1.00 0.00 C ATOM 0 H LEU A 99 7.408 -13.539 -0.775 1.00 0.00 H new ATOM 0 HA LEU A 99 6.367 -13.858 -3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.933 -14.460 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.366 -12.802 -3.866 1.00 0.00 H new ATOM 0 HG LEU A 99 9.106 -14.035 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.497 -13.499 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.938 -14.757 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 99 11.134 -13.081 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 99 9.922 -11.718 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.559 -11.312 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.237 -11.713 -1.421 1.00 0.00 H new ATOM 1599 N LEU A 100 6.109 -16.242 -1.972 1.00 0.00 N ATOM 1600 CA LEU A 100 5.996 -17.725 -1.819 1.00 0.00 C ATOM 1601 C LEU A 100 7.271 -18.319 -1.211 1.00 0.00 C ATOM 1602 O LEU A 100 7.524 -19.503 -1.326 1.00 0.00 O ATOM 1603 CB LEU A 100 5.766 -18.343 -3.190 1.00 0.00 C ATOM 1604 CG LEU A 100 4.495 -17.752 -3.803 1.00 0.00 C ATOM 1605 CD1 LEU A 100 4.453 -18.058 -5.302 1.00 0.00 C ATOM 1606 CD2 LEU A 100 3.266 -18.362 -3.119 1.00 0.00 C ATOM 0 H LEU A 100 5.386 -15.707 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 100 5.163 -17.943 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.621 -18.148 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.672 -19.425 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 100 4.493 -16.672 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.546 -17.635 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.325 -17.620 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.458 -19.137 -5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.360 -17.941 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.269 -19.443 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.294 -18.137 -2.053 1.00 0.00 H new ATOM 1618 N LYS A 101 8.069 -17.513 -0.567 1.00 0.00 N ATOM 1619 CA LYS A 101 9.328 -18.025 0.054 1.00 0.00 C ATOM 1620 C LYS A 101 10.041 -16.869 0.753 1.00 0.00 C ATOM 1621 O LYS A 101 10.182 -16.850 1.961 1.00 0.00 O ATOM 1622 CB LYS A 101 10.237 -18.614 -1.035 1.00 0.00 C ATOM 1623 CG LYS A 101 10.809 -19.955 -0.564 1.00 0.00 C ATOM 1624 CD LYS A 101 9.754 -21.050 -0.742 1.00 0.00 C ATOM 1625 CE LYS A 101 10.358 -22.407 -0.378 1.00 0.00 C ATOM 1626 NZ LYS A 101 10.098 -22.696 1.061 1.00 0.00 N ATOM 0 H LYS A 101 7.904 -16.514 -0.442 1.00 0.00 H new ATOM 0 HA LYS A 101 9.093 -18.804 0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.672 -18.753 -1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.048 -17.921 -1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.704 -20.201 -1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.107 -19.888 0.482 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.890 -20.843 -0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.399 -21.063 -1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.924 -23.189 -1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.431 -22.403 -0.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.508 -23.619 1.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.532 -21.955 1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.072 -22.716 1.231 1.00 0.00 H new ATOM 1640 N GLY A 102 10.480 -15.904 -0.006 1.00 0.00 N ATOM 1641 CA GLY A 102 11.179 -14.729 0.590 1.00 0.00 C ATOM 1642 C GLY A 102 12.690 -14.948 0.558 1.00 0.00 C ATOM 1643 O GLY A 102 13.181 -16.027 0.832 1.00 0.00 O ATOM 0 H GLY A 102 10.384 -15.878 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.923 -13.825 0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.847 -14.580 1.617 1.00 0.00 H new ATOM 1647 N GLU A 103 13.426 -13.918 0.241 1.00 0.00 N ATOM 1648 CA GLU A 103 14.910 -14.027 0.202 1.00 0.00 C ATOM 1649 C GLU A 103 15.491 -13.140 1.302 1.00 0.00 C ATOM 1650 O GLU A 103 16.437 -13.502 1.976 1.00 0.00 O ATOM 1651 CB GLU A 103 15.436 -13.579 -1.168 1.00 0.00 C ATOM 1652 CG GLU A 103 14.854 -12.210 -1.533 1.00 0.00 C ATOM 1653 CD GLU A 103 15.417 -11.763 -2.883 1.00 0.00 C ATOM 1654 OE1 GLU A 103 15.130 -12.420 -3.869 1.00 0.00 O ATOM 1655 OE2 GLU A 103 16.126 -10.770 -2.907 1.00 0.00 O ATOM 0 H GLU A 103 13.057 -12.997 0.005 1.00 0.00 H new ATOM 0 HA GLU A 103 15.210 -15.063 0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 103 16.525 -13.527 -1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.165 -14.312 -1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.766 -12.266 -1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.103 -11.480 -0.763 1.00 0.00 H new ATOM 1662 N GLY A 104 14.912 -11.985 1.495 1.00 0.00 N ATOM 1663 CA GLY A 104 15.388 -11.060 2.556 1.00 0.00 C ATOM 1664 C GLY A 104 14.181 -10.270 3.089 1.00 0.00 C ATOM 1665 O GLY A 104 13.556 -10.694 4.041 1.00 0.00 O ATOM 0 H GLY A 104 14.119 -11.642 0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 104 15.861 -11.620 3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 104 16.140 -10.380 2.157 1.00 0.00 H new ATOM 1669 N PRO A 105 13.867 -9.148 2.463 1.00 0.00 N ATOM 1670 CA PRO A 105 12.724 -8.323 2.879 1.00 0.00 C ATOM 1671 C PRO A 105 11.424 -8.878 2.280 1.00 0.00 C ATOM 1672 O PRO A 105 11.362 -10.026 1.880 1.00 0.00 O ATOM 1673 CB PRO A 105 13.050 -6.944 2.310 1.00 0.00 C ATOM 1674 CG PRO A 105 14.039 -7.166 1.140 1.00 0.00 C ATOM 1675 CD PRO A 105 14.611 -8.589 1.306 1.00 0.00 C ATOM 0 HA PRO A 105 12.575 -8.303 3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.145 -6.445 1.962 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.492 -6.305 3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 105 13.533 -7.062 0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.837 -6.423 1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 105 14.458 -9.187 0.408 1.00 0.00 H new ATOM 0 HD3 PRO A 105 15.684 -8.567 1.496 1.00 0.00 H new ATOM 1683 N LYS A 106 10.384 -8.079 2.229 1.00 0.00 N ATOM 1684 CA LYS A 106 9.089 -8.566 1.676 1.00 0.00 C ATOM 1685 C LYS A 106 8.141 -7.387 1.440 1.00 0.00 C ATOM 1686 O LYS A 106 8.393 -6.278 1.872 1.00 0.00 O ATOM 1687 CB LYS A 106 8.467 -9.517 2.689 1.00 0.00 C ATOM 1688 CG LYS A 106 7.888 -10.740 1.972 1.00 0.00 C ATOM 1689 CD LYS A 106 8.001 -11.967 2.881 1.00 0.00 C ATOM 1690 CE LYS A 106 9.445 -12.471 2.884 1.00 0.00 C ATOM 1691 NZ LYS A 106 9.693 -13.258 4.125 1.00 0.00 N ATOM 0 H LYS A 106 10.381 -7.110 2.548 1.00 0.00 H new ATOM 0 HA LYS A 106 9.260 -9.074 0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.218 -9.832 3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 106 7.682 -9.006 3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 106 6.845 -10.562 1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.424 -10.915 1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.692 -11.711 3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.331 -12.753 2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.627 -13.090 2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.136 -11.629 2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.675 -13.601 4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.535 -12.654 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.043 -14.069 4.158 1.00 0.00 H new ATOM 1705 N THR A 107 7.046 -7.631 0.769 1.00 0.00 N ATOM 1706 CA THR A 107 6.063 -6.547 0.501 1.00 0.00 C ATOM 1707 C THR A 107 4.843 -6.739 1.403 1.00 0.00 C ATOM 1708 O THR A 107 4.652 -7.788 1.985 1.00 0.00 O ATOM 1709 CB THR A 107 5.627 -6.624 -0.967 1.00 0.00 C ATOM 1710 OG1 THR A 107 5.600 -7.981 -1.388 1.00 0.00 O ATOM 1711 CG2 THR A 107 6.606 -5.852 -1.846 1.00 0.00 C ATOM 0 H THR A 107 6.791 -8.544 0.393 1.00 0.00 H new ATOM 0 HA THR A 107 6.515 -5.576 0.702 1.00 0.00 H new ATOM 0 HB THR A 107 4.633 -6.187 -1.060 1.00 0.00 H new ATOM 0 HG1 THR A 107 5.319 -8.027 -2.326 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.287 -5.913 -2.886 1.00 0.00 H new ATOM 0 HG22 THR A 107 6.629 -4.808 -1.534 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.602 -6.283 -1.746 1.00 0.00 H new ATOM 1719 N SER A 108 4.018 -5.728 1.523 1.00 0.00 N ATOM 1720 CA SER A 108 2.796 -5.825 2.385 1.00 0.00 C ATOM 1721 C SER A 108 2.169 -4.434 2.505 1.00 0.00 C ATOM 1722 O SER A 108 2.756 -3.452 2.092 1.00 0.00 O ATOM 1723 CB SER A 108 3.174 -6.314 3.788 1.00 0.00 C ATOM 1724 OG SER A 108 4.401 -5.715 4.180 1.00 0.00 O ATOM 0 H SER A 108 4.139 -4.829 1.056 1.00 0.00 H new ATOM 0 HA SER A 108 2.095 -6.528 1.936 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.388 -6.058 4.499 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.268 -7.400 3.794 1.00 0.00 H new ATOM 0 HG SER A 108 4.644 -6.025 5.077 1.00 0.00 H new ATOM 1730 N TRP A 109 1.008 -4.332 3.105 1.00 0.00 N ATOM 1731 CA TRP A 109 0.386 -2.985 3.297 1.00 0.00 C ATOM 1732 C TRP A 109 -0.679 -3.053 4.362 1.00 0.00 C ATOM 1733 O TRP A 109 -1.394 -4.030 4.485 1.00 0.00 O ATOM 1734 CB TRP A 109 -0.191 -2.386 1.995 1.00 0.00 C ATOM 1735 CG TRP A 109 -1.386 -3.097 1.433 1.00 0.00 C ATOM 1736 CD1 TRP A 109 -1.388 -3.704 0.229 1.00 0.00 C ATOM 1737 CD2 TRP A 109 -2.759 -3.214 1.953 1.00 0.00 C ATOM 1738 NE1 TRP A 109 -2.652 -4.200 -0.030 1.00 0.00 N ATOM 1739 CE2 TRP A 109 -3.531 -3.931 0.999 1.00 0.00 C ATOM 1740 CE3 TRP A 109 -3.410 -2.793 3.141 1.00 0.00 C ATOM 1741 CZ2 TRP A 109 -4.883 -4.212 1.212 1.00 0.00 C ATOM 1742 CZ3 TRP A 109 -4.766 -3.082 3.347 1.00 0.00 C ATOM 1743 CH2 TRP A 109 -5.497 -3.787 2.387 1.00 0.00 C ATOM 0 H TRP A 109 0.467 -5.117 3.468 1.00 0.00 H new ATOM 0 HA TRP A 109 1.184 -2.315 3.615 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -0.463 -1.347 2.182 1.00 0.00 H new ATOM 0 HB3 TRP A 109 0.595 -2.379 1.239 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -0.536 -3.789 -0.429 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -2.905 -4.704 -0.880 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -2.858 -2.247 3.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.448 -4.756 0.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.250 -2.757 4.256 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.541 -4.003 2.557 1.00 0.00 H new ATOM 1754 N THR A 110 -0.783 -2.012 5.146 1.00 0.00 N ATOM 1755 CA THR A 110 -1.805 -1.999 6.223 1.00 0.00 C ATOM 1756 C THR A 110 -2.591 -0.697 6.189 1.00 0.00 C ATOM 1757 O THR A 110 -2.094 0.361 6.517 1.00 0.00 O ATOM 1758 CB THR A 110 -1.140 -2.156 7.584 1.00 0.00 C ATOM 1759 OG1 THR A 110 -0.460 -0.956 7.924 1.00 0.00 O ATOM 1760 CG2 THR A 110 -0.148 -3.318 7.546 1.00 0.00 C ATOM 0 H THR A 110 -0.204 -1.174 5.084 1.00 0.00 H new ATOM 0 HA THR A 110 -2.487 -2.833 6.059 1.00 0.00 H new ATOM 0 HB THR A 110 -1.903 -2.363 8.334 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.899 -0.196 7.487 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.324 -3.425 8.522 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.675 -4.238 7.295 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.615 -3.120 6.793 1.00 0.00 H new ATOM 1768 N ARG A 111 -3.831 -0.791 5.821 1.00 0.00 N ATOM 1769 CA ARG A 111 -4.711 0.415 5.776 1.00 0.00 C ATOM 1770 C ARG A 111 -5.301 0.602 7.164 1.00 0.00 C ATOM 1771 O ARG A 111 -5.854 -0.316 7.711 1.00 0.00 O ATOM 1772 CB ARG A 111 -5.833 0.181 4.756 1.00 0.00 C ATOM 1773 CG ARG A 111 -5.289 0.371 3.340 1.00 0.00 C ATOM 1774 CD ARG A 111 -6.398 0.092 2.324 1.00 0.00 C ATOM 1775 NE ARG A 111 -6.036 0.698 1.011 1.00 0.00 N ATOM 1776 CZ ARG A 111 -4.990 0.267 0.358 1.00 0.00 C ATOM 1777 NH1 ARG A 111 -4.744 -1.013 0.288 1.00 0.00 N ATOM 1778 NH2 ARG A 111 -4.190 1.118 -0.224 1.00 0.00 N ATOM 0 H ARG A 111 -4.285 -1.662 5.544 1.00 0.00 H new ATOM 0 HA ARG A 111 -4.149 1.301 5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.237 -0.825 4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.653 0.876 4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.915 1.387 3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.448 -0.301 3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.542 -0.983 2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.342 0.505 2.679 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.605 1.450 0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -5.369 -1.678 0.744 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.927 -1.348 -0.222 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.382 2.118 -0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.373 0.783 -0.734 1.00 0.00 H new ATOM 1792 N GLU A 112 -5.185 1.765 7.753 1.00 0.00 N ATOM 1793 CA GLU A 112 -5.746 1.944 9.124 1.00 0.00 C ATOM 1794 C GLU A 112 -6.583 3.212 9.193 1.00 0.00 C ATOM 1795 O GLU A 112 -6.367 4.155 8.466 1.00 0.00 O ATOM 1796 CB GLU A 112 -4.605 2.018 10.141 1.00 0.00 C ATOM 1797 CG GLU A 112 -5.181 1.980 11.558 1.00 0.00 C ATOM 1798 CD GLU A 112 -4.042 2.057 12.577 1.00 0.00 C ATOM 1799 OE1 GLU A 112 -2.978 1.533 12.291 1.00 0.00 O ATOM 1800 OE2 GLU A 112 -4.253 2.641 13.628 1.00 0.00 O ATOM 0 H GLU A 112 -4.733 2.586 7.351 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.385 1.092 9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.918 1.185 9.994 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.032 2.933 9.994 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.870 2.812 11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.752 1.064 11.705 1.00 0.00 H new ATOM 1807 N LEU A 113 -7.550 3.219 10.064 1.00 0.00 N ATOM 1808 CA LEU A 113 -8.442 4.397 10.213 1.00 0.00 C ATOM 1809 C LEU A 113 -8.130 5.077 11.550 1.00 0.00 C ATOM 1810 O LEU A 113 -7.435 4.523 12.381 1.00 0.00 O ATOM 1811 CB LEU A 113 -9.890 3.889 10.212 1.00 0.00 C ATOM 1812 CG LEU A 113 -10.418 3.596 8.793 1.00 0.00 C ATOM 1813 CD1 LEU A 113 -10.995 4.872 8.183 1.00 0.00 C ATOM 1814 CD2 LEU A 113 -9.332 3.028 7.878 1.00 0.00 C ATOM 0 H LEU A 113 -7.763 2.443 10.690 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.296 5.111 9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -9.953 2.982 10.813 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -10.531 4.631 10.688 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.198 2.840 8.883 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -11.367 4.660 7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -11.814 5.234 8.805 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -10.217 5.633 8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.751 2.838 6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -8.516 3.745 7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -8.954 2.096 8.297 1.00 0.00 H new ATOM 1873 N GLU A 118 -9.357 9.923 8.663 1.00 0.00 N ATOM 1874 CA GLU A 118 -7.878 10.000 8.825 1.00 0.00 C ATOM 1875 C GLU A 118 -7.323 8.598 8.580 1.00 0.00 C ATOM 1876 O GLU A 118 -6.923 7.899 9.491 1.00 0.00 O ATOM 1877 CB GLU A 118 -7.534 10.468 10.243 1.00 0.00 C ATOM 1878 CG GLU A 118 -7.082 11.930 10.209 1.00 0.00 C ATOM 1879 CD GLU A 118 -7.515 12.628 11.500 1.00 0.00 C ATOM 1880 OE1 GLU A 118 -8.619 13.148 11.527 1.00 0.00 O ATOM 1881 OE2 GLU A 118 -6.736 12.631 12.439 1.00 0.00 O ATOM 0 HA GLU A 118 -7.444 10.711 8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -8.403 10.361 10.892 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -6.745 9.843 10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -5.999 11.984 10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -7.516 12.436 9.346 1.00 0.00 H new ATOM 1888 N LEU A 119 -7.353 8.175 7.349 1.00 0.00 N ATOM 1889 CA LEU A 119 -6.896 6.803 6.991 1.00 0.00 C ATOM 1890 C LEU A 119 -5.386 6.766 6.719 1.00 0.00 C ATOM 1891 O LEU A 119 -4.932 7.191 5.681 1.00 0.00 O ATOM 1892 CB LEU A 119 -7.652 6.391 5.727 1.00 0.00 C ATOM 1893 CG LEU A 119 -7.584 4.874 5.526 1.00 0.00 C ATOM 1894 CD1 LEU A 119 -8.962 4.341 5.118 1.00 0.00 C ATOM 1895 CD2 LEU A 119 -6.573 4.558 4.425 1.00 0.00 C ATOM 0 H LEU A 119 -7.681 8.732 6.560 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.094 6.122 7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.693 6.707 5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.226 6.897 4.861 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.277 4.399 6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.907 3.262 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.686 4.568 5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.274 4.814 4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.521 3.479 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.885 5.036 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.591 4.933 4.714 1.00 0.00 H new ATOM 1907 N ILE A 120 -4.607 6.226 7.625 1.00 0.00 N ATOM 1908 CA ILE A 120 -3.132 6.133 7.381 1.00 0.00 C ATOM 1909 C ILE A 120 -2.848 4.787 6.713 1.00 0.00 C ATOM 1910 O ILE A 120 -2.993 3.743 7.309 1.00 0.00 O ATOM 1911 CB ILE A 120 -2.371 6.271 8.704 1.00 0.00 C ATOM 1912 CG1 ILE A 120 -2.733 5.124 9.654 1.00 0.00 C ATOM 1913 CG2 ILE A 120 -2.761 7.596 9.350 1.00 0.00 C ATOM 1914 CD1 ILE A 120 -1.625 4.069 9.623 1.00 0.00 C ATOM 0 H ILE A 120 -4.925 5.848 8.517 1.00 0.00 H new ATOM 0 HA ILE A 120 -2.797 6.939 6.728 1.00 0.00 H new ATOM 0 HB ILE A 120 -1.299 6.238 8.509 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.861 5.503 10.668 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.683 4.678 9.358 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.228 7.711 10.294 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -2.499 8.417 8.683 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.835 7.608 9.536 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -1.881 3.253 10.298 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -1.519 3.682 8.609 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -0.684 4.520 9.939 1.00 0.00 H new ATOM 1926 N LEU A 121 -2.492 4.812 5.460 1.00 0.00 N ATOM 1927 CA LEU A 121 -2.258 3.548 4.714 1.00 0.00 C ATOM 1928 C LEU A 121 -0.760 3.368 4.398 1.00 0.00 C ATOM 1929 O LEU A 121 -0.140 4.178 3.734 1.00 0.00 O ATOM 1930 CB LEU A 121 -3.132 3.603 3.436 1.00 0.00 C ATOM 1931 CG LEU A 121 -2.779 2.518 2.401 1.00 0.00 C ATOM 1932 CD1 LEU A 121 -1.591 2.981 1.562 1.00 0.00 C ATOM 1933 CD2 LEU A 121 -2.432 1.193 3.078 1.00 0.00 C ATOM 0 H LEU A 121 -2.352 5.664 4.916 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.540 2.680 5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.180 3.498 3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.023 4.584 2.973 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.651 2.360 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.341 2.213 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.849 3.905 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.733 3.156 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.188 0.450 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.575 1.334 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.285 0.848 3.662 1.00 0.00 H new ATOM 1945 N THR A 122 -0.195 2.291 4.887 1.00 0.00 N ATOM 1946 CA THR A 122 1.250 1.978 4.661 1.00 0.00 C ATOM 1947 C THR A 122 1.362 0.861 3.623 1.00 0.00 C ATOM 1948 O THR A 122 0.440 0.113 3.415 1.00 0.00 O ATOM 1949 CB THR A 122 1.848 1.468 5.966 1.00 0.00 C ATOM 1950 OG1 THR A 122 1.623 2.417 6.999 1.00 0.00 O ATOM 1951 CG2 THR A 122 3.348 1.233 5.797 1.00 0.00 C ATOM 0 H THR A 122 -0.690 1.598 5.448 1.00 0.00 H new ATOM 0 HA THR A 122 1.772 2.871 4.318 1.00 0.00 H new ATOM 0 HB THR A 122 1.370 0.526 6.233 1.00 0.00 H new ATOM 0 HG1 THR A 122 2.007 2.085 7.837 1.00 0.00 H new ATOM 0 HG21 THR A 122 3.767 0.869 6.735 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.514 0.494 5.014 1.00 0.00 H new ATOM 0 HG23 THR A 122 3.834 2.169 5.522 1.00 0.00 H new ATOM 1959 N MET A 123 2.497 0.720 3.003 1.00 0.00 N ATOM 1960 CA MET A 123 2.673 -0.379 2.003 1.00 0.00 C ATOM 1961 C MET A 123 4.159 -0.663 1.838 1.00 0.00 C ATOM 1962 O MET A 123 4.843 -0.031 1.056 1.00 0.00 O ATOM 1963 CB MET A 123 2.064 0.021 0.661 1.00 0.00 C ATOM 1964 CG MET A 123 2.094 -1.181 -0.293 1.00 0.00 C ATOM 1965 SD MET A 123 3.398 -0.964 -1.533 1.00 0.00 S ATOM 1966 CE MET A 123 3.682 -2.719 -1.872 1.00 0.00 C ATOM 0 H MET A 123 3.314 1.315 3.142 1.00 0.00 H new ATOM 0 HA MET A 123 2.164 -1.276 2.356 1.00 0.00 H new ATOM 0 HB2 MET A 123 1.038 0.361 0.802 1.00 0.00 H new ATOM 0 HB3 MET A 123 2.620 0.854 0.231 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.267 -2.098 0.271 1.00 0.00 H new ATOM 0 HG3 MET A 123 1.128 -1.288 -0.786 1.00 0.00 H new ATOM 0 HE1 MET A 123 4.632 -2.840 -2.393 1.00 0.00 H new ATOM 0 HE2 MET A 123 3.711 -3.271 -0.933 1.00 0.00 H new ATOM 0 HE3 MET A 123 2.875 -3.105 -2.495 1.00 0.00 H new ATOM 1976 N THR A 124 4.659 -1.599 2.592 1.00 0.00 N ATOM 1977 CA THR A 124 6.115 -1.925 2.527 1.00 0.00 C ATOM 1978 C THR A 124 6.456 -2.620 1.225 1.00 0.00 C ATOM 1979 O THR A 124 5.593 -3.007 0.459 1.00 0.00 O ATOM 1980 CB THR A 124 6.550 -2.826 3.710 1.00 0.00 C ATOM 1981 OG1 THR A 124 6.437 -4.202 3.359 1.00 0.00 O ATOM 1982 CG2 THR A 124 5.701 -2.561 4.958 1.00 0.00 C ATOM 0 H THR A 124 4.121 -2.157 3.255 1.00 0.00 H new ATOM 0 HA THR A 124 6.654 -0.980 2.587 1.00 0.00 H new ATOM 0 HB THR A 124 7.590 -2.585 3.932 1.00 0.00 H new ATOM 0 HG1 THR A 124 5.633 -4.580 3.772 1.00 0.00 H new ATOM 0 HG21 THR A 124 6.033 -3.210 5.768 1.00 0.00 H new ATOM 0 HG22 THR A 124 5.812 -1.519 5.259 1.00 0.00 H new ATOM 0 HG23 THR A 124 4.654 -2.765 4.736 1.00 0.00 H new ATOM 1990 N ALA A 125 7.729 -2.780 0.981 1.00 0.00 N ATOM 1991 CA ALA A 125 8.162 -3.460 -0.271 1.00 0.00 C ATOM 1992 C ALA A 125 9.679 -3.634 -0.335 1.00 0.00 C ATOM 1993 O ALA A 125 10.409 -2.716 -0.645 1.00 0.00 O ATOM 1994 CB ALA A 125 7.713 -2.643 -1.477 1.00 0.00 C ATOM 0 H ALA A 125 8.484 -2.470 1.593 1.00 0.00 H new ATOM 0 HA ALA A 125 7.704 -4.449 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.030 -3.142 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.627 -2.552 -1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.160 -1.650 -1.431 1.00 0.00 H new ATOM 2000 N ASP A 126 10.162 -4.824 -0.087 1.00 0.00 N ATOM 2001 CA ASP A 126 11.638 -5.064 -0.161 1.00 0.00 C ATOM 2002 C ASP A 126 12.342 -4.261 0.934 1.00 0.00 C ATOM 2003 O ASP A 126 13.458 -3.812 0.761 1.00 0.00 O ATOM 2004 CB ASP A 126 12.170 -4.631 -1.530 1.00 0.00 C ATOM 2005 CG ASP A 126 13.193 -5.650 -2.037 1.00 0.00 C ATOM 2006 OD1 ASP A 126 14.361 -5.495 -1.720 1.00 0.00 O ATOM 2007 OD2 ASP A 126 12.791 -6.568 -2.733 1.00 0.00 O ATOM 0 H ASP A 126 9.602 -5.639 0.163 1.00 0.00 H new ATOM 0 HA ASP A 126 11.834 -6.127 -0.020 1.00 0.00 H new ATOM 0 HB2 ASP A 126 11.347 -4.545 -2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 126 12.631 -3.646 -1.456 1.00 0.00 H new ATOM 2012 N ASP A 127 11.673 -4.091 2.054 1.00 0.00 N ATOM 2013 CA ASP A 127 12.216 -3.334 3.242 1.00 0.00 C ATOM 2014 C ASP A 127 11.791 -1.867 3.187 1.00 0.00 C ATOM 2015 O ASP A 127 11.988 -1.135 4.139 1.00 0.00 O ATOM 2016 CB ASP A 127 13.749 -3.416 3.341 1.00 0.00 C ATOM 2017 CG ASP A 127 14.192 -3.009 4.748 1.00 0.00 C ATOM 2018 OD1 ASP A 127 14.119 -3.843 5.635 1.00 0.00 O ATOM 2019 OD2 ASP A 127 14.599 -1.871 4.913 1.00 0.00 O ATOM 0 H ASP A 127 10.734 -4.460 2.201 1.00 0.00 H new ATOM 0 HA ASP A 127 11.796 -3.808 4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 127 14.085 -4.430 3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 127 14.207 -2.761 2.600 1.00 0.00 H new ATOM 2024 N VAL A 128 11.196 -1.426 2.103 1.00 0.00 N ATOM 2025 CA VAL A 128 10.754 -0.015 2.032 1.00 0.00 C ATOM 2026 C VAL A 128 9.400 0.094 2.728 1.00 0.00 C ATOM 2027 O VAL A 128 8.819 -0.899 3.111 1.00 0.00 O ATOM 2028 CB VAL A 128 10.642 0.421 0.558 1.00 0.00 C ATOM 2029 CG1 VAL A 128 11.925 0.053 -0.195 1.00 0.00 C ATOM 2030 CG2 VAL A 128 9.455 -0.267 -0.119 1.00 0.00 C ATOM 0 H VAL A 128 11.002 -1.987 1.273 1.00 0.00 H new ATOM 0 HA VAL A 128 11.475 0.638 2.525 1.00 0.00 H new ATOM 0 HB VAL A 128 10.493 1.501 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 128 11.838 0.364 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.774 0.558 0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.076 -1.026 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 128 9.393 0.054 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 128 9.590 -1.348 -0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.535 0.002 0.399 1.00 0.00 H new ATOM 2040 N VAL A 129 8.899 1.282 2.878 1.00 0.00 N ATOM 2041 CA VAL A 129 7.575 1.458 3.524 1.00 0.00 C ATOM 2042 C VAL A 129 6.957 2.777 3.060 1.00 0.00 C ATOM 2043 O VAL A 129 7.413 3.851 3.397 1.00 0.00 O ATOM 2044 CB VAL A 129 7.742 1.367 5.061 1.00 0.00 C ATOM 2045 CG1 VAL A 129 6.840 2.376 5.809 1.00 0.00 C ATOM 2046 CG2 VAL A 129 7.383 -0.060 5.504 1.00 0.00 C ATOM 0 H VAL A 129 9.353 2.145 2.579 1.00 0.00 H new ATOM 0 HA VAL A 129 6.886 0.666 3.231 1.00 0.00 H new ATOM 0 HB VAL A 129 8.776 1.610 5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 129 6.993 2.274 6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 129 7.095 3.390 5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.795 2.176 5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.495 -0.144 6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 129 6.351 -0.278 5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 129 8.048 -0.771 5.014 1.00 0.00 H new ATOM 2056 N CYS A 130 5.905 2.676 2.302 1.00 0.00 N ATOM 2057 CA CYS A 130 5.206 3.894 1.803 1.00 0.00 C ATOM 2058 C CYS A 130 4.105 4.263 2.795 1.00 0.00 C ATOM 2059 O CYS A 130 2.991 3.782 2.704 1.00 0.00 O ATOM 2060 CB CYS A 130 4.587 3.607 0.433 1.00 0.00 C ATOM 2061 SG CYS A 130 4.467 5.147 -0.510 1.00 0.00 S ATOM 0 H CYS A 130 5.493 1.792 2.002 1.00 0.00 H new ATOM 0 HA CYS A 130 5.914 4.717 1.707 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.196 2.883 -0.109 1.00 0.00 H new ATOM 0 HB3 CYS A 130 3.598 3.164 0.554 1.00 0.00 H new ATOM 0 HG CYS A 130 3.943 4.903 -1.675 1.00 0.00 H new ATOM 2067 N THR A 131 4.416 5.098 3.752 1.00 0.00 N ATOM 2068 CA THR A 131 3.401 5.491 4.771 1.00 0.00 C ATOM 2069 C THR A 131 2.929 6.920 4.519 1.00 0.00 C ATOM 2070 O THR A 131 3.717 7.847 4.481 1.00 0.00 O ATOM 2071 CB THR A 131 4.030 5.421 6.163 1.00 0.00 C ATOM 2072 OG1 THR A 131 5.036 4.417 6.177 1.00 0.00 O ATOM 2073 CG2 THR A 131 2.956 5.087 7.201 1.00 0.00 C ATOM 0 H THR A 131 5.334 5.526 3.871 1.00 0.00 H new ATOM 0 HA THR A 131 2.552 4.811 4.704 1.00 0.00 H new ATOM 0 HB THR A 131 4.475 6.386 6.407 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.441 4.372 7.068 1.00 0.00 H new ATOM 0 HG21 THR A 131 3.409 5.038 8.191 1.00 0.00 H new ATOM 0 HG22 THR A 131 2.188 5.860 7.191 1.00 0.00 H new ATOM 0 HG23 THR A 131 2.505 4.124 6.961 1.00 0.00 H new ATOM 2081 N ARG A 132 1.646 7.103 4.369 1.00 0.00 N ATOM 2082 CA ARG A 132 1.102 8.476 4.144 1.00 0.00 C ATOM 2083 C ARG A 132 -0.312 8.546 4.709 1.00 0.00 C ATOM 2084 O ARG A 132 -1.131 7.682 4.462 1.00 0.00 O ATOM 2085 CB ARG A 132 1.080 8.841 2.644 1.00 0.00 C ATOM 2086 CG ARG A 132 0.928 7.595 1.766 1.00 0.00 C ATOM 2087 CD ARG A 132 0.862 8.018 0.300 1.00 0.00 C ATOM 2088 NE ARG A 132 1.271 6.877 -0.567 1.00 0.00 N ATOM 2089 CZ ARG A 132 0.853 6.811 -1.801 1.00 0.00 C ATOM 2090 NH1 ARG A 132 1.290 7.666 -2.685 1.00 0.00 N ATOM 2091 NH2 ARG A 132 -0.002 5.890 -2.153 1.00 0.00 N ATOM 0 H ARG A 132 0.948 6.360 4.392 1.00 0.00 H new ATOM 0 HA ARG A 132 1.751 9.191 4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 132 0.257 9.528 2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.001 9.362 2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 132 1.769 6.919 1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 132 0.025 7.050 2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -0.150 8.336 0.048 1.00 0.00 H new ATOM 0 HD3 ARG A 132 1.517 8.872 0.127 1.00 0.00 H new ATOM 0 HE ARG A 132 1.878 6.147 -0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 132 1.959 8.386 -2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 132 0.963 7.614 -3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -0.344 5.221 -1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -0.328 5.839 -3.118 1.00 0.00 H new ATOM 2105 N VAL A 133 -0.600 9.567 5.471 1.00 0.00 N ATOM 2106 CA VAL A 133 -1.960 9.699 6.061 1.00 0.00 C ATOM 2107 C VAL A 133 -2.935 10.107 4.964 1.00 0.00 C ATOM 2108 O VAL A 133 -2.558 10.684 3.971 1.00 0.00 O ATOM 2109 CB VAL A 133 -1.935 10.762 7.172 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -3.355 11.032 7.682 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -1.073 10.257 8.330 1.00 0.00 C ATOM 0 H VAL A 133 0.050 10.316 5.710 1.00 0.00 H new ATOM 0 HA VAL A 133 -2.277 8.749 6.491 1.00 0.00 H new ATOM 0 HB VAL A 133 -1.520 11.687 6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.322 11.786 8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -3.975 11.391 6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -3.780 10.111 8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -1.051 11.006 9.121 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.494 9.330 8.720 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -0.059 10.074 7.976 1.00 0.00 H new ATOM 2121 N TYR A 134 -4.187 9.817 5.157 1.00 0.00 N ATOM 2122 CA TYR A 134 -5.208 10.194 4.151 1.00 0.00 C ATOM 2123 C TYR A 134 -6.403 10.803 4.865 1.00 0.00 C ATOM 2124 O TYR A 134 -6.545 10.695 6.068 1.00 0.00 O ATOM 2125 CB TYR A 134 -5.721 8.969 3.414 1.00 0.00 C ATOM 2126 CG TYR A 134 -4.671 8.409 2.497 1.00 0.00 C ATOM 2127 CD1 TYR A 134 -3.575 7.727 3.027 1.00 0.00 C ATOM 2128 CD2 TYR A 134 -4.810 8.549 1.114 1.00 0.00 C ATOM 2129 CE1 TYR A 134 -2.615 7.185 2.175 1.00 0.00 C ATOM 2130 CE2 TYR A 134 -3.848 8.012 0.259 1.00 0.00 C ATOM 2131 CZ TYR A 134 -2.747 7.326 0.788 1.00 0.00 C ATOM 2132 OH TYR A 134 -1.796 6.790 -0.056 1.00 0.00 O ATOM 0 H TYR A 134 -4.549 9.330 5.977 1.00 0.00 H new ATOM 0 HA TYR A 134 -4.748 10.891 3.450 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -6.023 8.208 4.134 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -6.608 9.233 2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -3.471 7.619 4.097 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -5.662 9.073 0.707 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -1.768 6.655 2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -3.952 8.125 -0.810 1.00 0.00 H new ATOM 0 HH TYR A 134 -2.041 6.978 -0.986 1.00 0.00 H new ATOM 2142 N VAL A 135 -7.286 11.391 4.119 1.00 0.00 N ATOM 2143 CA VAL A 135 -8.515 11.962 4.705 1.00 0.00 C ATOM 2144 C VAL A 135 -9.644 11.639 3.744 1.00 0.00 C ATOM 2145 O VAL A 135 -9.395 11.294 2.611 1.00 0.00 O ATOM 2146 CB VAL A 135 -8.377 13.459 4.863 1.00 0.00 C ATOM 2147 CG1 VAL A 135 -9.644 14.005 5.501 1.00 0.00 C ATOM 2148 CG2 VAL A 135 -7.186 13.750 5.768 1.00 0.00 C ATOM 0 H VAL A 135 -7.204 11.501 3.108 1.00 0.00 H new ATOM 0 HA VAL A 135 -8.707 11.545 5.694 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.224 13.929 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -9.555 15.085 5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -10.499 13.779 4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -9.788 13.543 6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -7.076 14.828 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -7.348 13.290 6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -6.280 13.341 5.320 1.00 0.00 H new ATOM 2158 N ARG A 136 -10.871 11.726 4.160 1.00 0.00 N ATOM 2159 CA ARG A 136 -11.962 11.385 3.205 1.00 0.00 C ATOM 2160 C ARG A 136 -12.274 12.589 2.326 1.00 0.00 C ATOM 2161 O ARG A 136 -12.695 13.631 2.790 1.00 0.00 O ATOM 2162 CB ARG A 136 -13.228 10.925 3.930 1.00 0.00 C ATOM 2163 CG ARG A 136 -13.322 9.399 3.865 1.00 0.00 C ATOM 2164 CD ARG A 136 -13.983 8.867 5.139 1.00 0.00 C ATOM 2165 NE ARG A 136 -15.282 9.565 5.356 1.00 0.00 N ATOM 2166 CZ ARG A 136 -16.375 8.873 5.531 1.00 0.00 C ATOM 2167 NH1 ARG A 136 -16.387 7.873 6.370 1.00 0.00 N ATOM 2168 NH2 ARG A 136 -17.455 9.180 4.867 1.00 0.00 N ATOM 0 H ARG A 136 -11.165 12.010 5.094 1.00 0.00 H new ATOM 0 HA ARG A 136 -11.617 10.557 2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -13.207 11.256 4.968 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -14.108 11.375 3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -13.900 9.098 2.991 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -12.327 8.968 3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -14.145 7.792 5.055 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -13.326 9.024 5.995 1.00 0.00 H new ATOM 0 HE ARG A 136 -15.317 10.584 5.368 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -15.542 7.632 6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -17.241 7.332 6.507 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -17.446 9.961 4.211 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -18.309 8.639 5.004 1.00 0.00 H new ATOM 2182 N GLU A 137 -12.059 12.437 1.050 1.00 0.00 N ATOM 2183 CA GLU A 137 -12.321 13.546 0.086 1.00 0.00 C ATOM 2184 C GLU A 137 -13.773 14.022 0.211 1.00 0.00 C ATOM 2185 O GLU A 137 -14.631 13.412 -0.407 1.00 0.00 O ATOM 2186 CB GLU A 137 -12.073 13.048 -1.339 1.00 0.00 C ATOM 2187 CG GLU A 137 -11.746 14.237 -2.245 1.00 0.00 C ATOM 2188 CD GLU A 137 -12.034 13.864 -3.701 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -11.212 13.183 -4.291 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -13.072 14.267 -4.200 1.00 0.00 O ATOM 2191 OXT GLU A 137 -14.001 14.986 0.923 1.00 0.00 O ATOM 0 H GLU A 137 -11.707 11.579 0.626 1.00 0.00 H new ATOM 0 HA GLU A 137 -11.653 14.377 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -11.250 12.333 -1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -12.954 12.525 -1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -12.342 15.103 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -10.699 14.518 -2.131 1.00 0.00 H new