USER MOD reduce.3.24.130724 H: found=0, std=0, add=1074, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1075 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 33 MET CE :methyl -178:sc= -4.84! (180deg=-2.63!) USER MOD Set 1.2: A 73 HIS :FLIP no HE2:sc= -3 F(o=-10,f=-7.8) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 98:sc= 0.994 USER MOD Single : A 20 HIS : no HE2:sc= -7.53! C(o=-7.5!,f=-10!) USER MOD Single : A 28 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.4!) USER MOD Single : A 37 MET CE :methyl -164:sc= -0.0753 (180deg=-0.162) USER MOD Single : A 38 THR OG1 : rot 118:sc= -0.543 USER MOD Single : A 40 THR OG1 : rot -127:sc= 1.16 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -159:sc= -0.576 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 74:sc= 0.741 USER MOD Single : A 81 SER OG : rot 180:sc=-0.00728 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 153:sc= -0.285 (180deg=-1.25) USER MOD Single : A 86 LYS NZ :NH3+ -158:sc= -0.06 (180deg=-0.347) USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= -0.373 (180deg=-1.07) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -4.39 F(o=-5.9!,f=-4.4) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0427 USER MOD Single : A 99 THR OG1 : rot -140:sc= -1.64 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HE2:sc= -2.11 K(o=-2.1,f=-4.6!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= -15.1! C(o=-15!,f=-18!) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -168:sc= 0 (180deg=-0.157) USER MOD Single : A 133 LYS NZ :NH3+ -114:sc= 0 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 42 N GLY A 3 -4.679 2.718 13.431 1.00 0.00 N ATOM 43 CA GLY A 3 -4.639 3.670 12.336 1.00 0.00 C ATOM 44 C GLY A 3 -5.284 3.134 11.070 1.00 0.00 C ATOM 45 O GLY A 3 -5.165 3.739 10.004 1.00 0.00 O ATOM 0 HA2 GLY A 3 -5.147 4.586 12.638 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.602 3.934 12.127 1.00 0.00 H new ATOM 49 N PHE A 4 -5.970 1.999 11.183 1.00 0.00 N ATOM 50 CA PHE A 4 -6.634 1.393 10.037 1.00 0.00 C ATOM 51 C PHE A 4 -7.978 0.789 10.447 1.00 0.00 C ATOM 52 O PHE A 4 -8.096 0.179 11.509 1.00 0.00 O ATOM 53 CB PHE A 4 -5.732 0.329 9.406 1.00 0.00 C ATOM 54 CG PHE A 4 -5.680 -0.964 10.175 1.00 0.00 C ATOM 55 CD1 PHE A 4 -4.966 -1.051 11.358 1.00 0.00 C ATOM 56 CD2 PHE A 4 -6.344 -2.087 9.711 1.00 0.00 C ATOM 57 CE1 PHE A 4 -4.916 -2.237 12.066 1.00 0.00 C ATOM 58 CE2 PHE A 4 -6.296 -3.277 10.414 1.00 0.00 C ATOM 59 CZ PHE A 4 -5.582 -3.351 11.593 1.00 0.00 C ATOM 0 H PHE A 4 -6.079 1.483 12.056 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.826 2.169 9.296 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.082 0.124 8.394 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.722 0.729 9.319 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.443 -0.183 11.731 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.906 -2.033 8.790 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.357 -2.293 12.988 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.816 -4.147 10.041 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.544 -4.279 12.145 1.00 0.00 H new ATOM 69 N GLU A 5 -8.984 0.961 9.597 1.00 0.00 N ATOM 70 CA GLU A 5 -10.318 0.433 9.867 1.00 0.00 C ATOM 71 C GLU A 5 -11.012 0.036 8.569 1.00 0.00 C ATOM 72 O GLU A 5 -11.047 0.811 7.618 1.00 0.00 O ATOM 73 CB GLU A 5 -11.159 1.469 10.614 1.00 0.00 C ATOM 74 CG GLU A 5 -11.126 2.850 9.978 1.00 0.00 C ATOM 75 CD GLU A 5 -12.337 3.118 9.106 1.00 0.00 C ATOM 76 OE1 GLU A 5 -12.968 2.141 8.649 1.00 0.00 O ATOM 77 OE2 GLU A 5 -12.656 4.304 8.882 1.00 0.00 O ATOM 0 H GLU A 5 -8.902 1.463 8.713 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.214 -0.454 10.491 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.192 1.123 10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.802 1.542 11.641 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.072 3.606 10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.221 2.948 9.378 1.00 0.00 H new ATOM 84 N PHE A 6 -11.562 -1.171 8.527 1.00 0.00 N ATOM 85 CA PHE A 6 -12.244 -1.646 7.329 1.00 0.00 C ATOM 86 C PHE A 6 -13.745 -1.783 7.554 1.00 0.00 C ATOM 87 O PHE A 6 -14.193 -2.111 8.653 1.00 0.00 O ATOM 88 CB PHE A 6 -11.661 -2.987 6.880 1.00 0.00 C ATOM 89 CG PHE A 6 -11.424 -3.951 8.008 1.00 0.00 C ATOM 90 CD1 PHE A 6 -12.426 -4.816 8.421 1.00 0.00 C ATOM 91 CD2 PHE A 6 -10.199 -3.993 8.654 1.00 0.00 C ATOM 92 CE1 PHE A 6 -12.210 -5.704 9.456 1.00 0.00 C ATOM 93 CE2 PHE A 6 -9.977 -4.880 9.691 1.00 0.00 C ATOM 94 CZ PHE A 6 -10.984 -5.737 10.093 1.00 0.00 C ATOM 0 H PHE A 6 -11.550 -1.834 9.302 1.00 0.00 H new ATOM 0 HA PHE A 6 -12.086 -0.904 6.546 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -12.339 -3.445 6.159 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.718 -2.808 6.363 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -13.386 -4.795 7.927 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -9.409 -3.325 8.344 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -12.999 -6.373 9.768 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -9.018 -4.903 10.186 1.00 0.00 H new ATOM 0 HZ PHE A 6 -10.813 -6.431 10.903 1.00 0.00 H new ATOM 104 N PHE A 7 -14.515 -1.538 6.497 1.00 0.00 N ATOM 105 CA PHE A 7 -15.968 -1.645 6.566 1.00 0.00 C ATOM 106 C PHE A 7 -16.442 -2.865 5.782 1.00 0.00 C ATOM 107 O PHE A 7 -15.905 -3.179 4.719 1.00 0.00 O ATOM 108 CB PHE A 7 -16.639 -0.371 6.035 1.00 0.00 C ATOM 109 CG PHE A 7 -15.858 0.345 4.965 1.00 0.00 C ATOM 110 CD1 PHE A 7 -16.008 -0.003 3.632 1.00 0.00 C ATOM 111 CD2 PHE A 7 -14.984 1.372 5.291 1.00 0.00 C ATOM 112 CE1 PHE A 7 -15.300 0.658 2.645 1.00 0.00 C ATOM 113 CE2 PHE A 7 -14.272 2.035 4.306 1.00 0.00 C ATOM 114 CZ PHE A 7 -14.432 1.677 2.982 1.00 0.00 C ATOM 0 H PHE A 7 -14.156 -1.264 5.582 1.00 0.00 H new ATOM 0 HA PHE A 7 -16.254 -1.765 7.611 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -17.621 -0.630 5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -16.802 0.313 6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -16.685 -0.799 3.361 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -14.858 1.657 6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -15.426 0.377 1.610 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -13.593 2.831 4.573 1.00 0.00 H new ATOM 0 HZ PHE A 7 -13.879 2.193 2.211 1.00 0.00 H new ATOM 124 N ASP A 8 -17.430 -3.565 6.327 1.00 0.00 N ATOM 125 CA ASP A 8 -17.956 -4.773 5.697 1.00 0.00 C ATOM 126 C ASP A 8 -18.796 -4.467 4.461 1.00 0.00 C ATOM 127 O ASP A 8 -19.931 -4.001 4.564 1.00 0.00 O ATOM 128 CB ASP A 8 -18.789 -5.571 6.699 1.00 0.00 C ATOM 129 CG ASP A 8 -17.952 -6.131 7.832 1.00 0.00 C ATOM 130 OD1 ASP A 8 -16.736 -6.331 7.629 1.00 0.00 O ATOM 131 OD2 ASP A 8 -18.513 -6.370 8.922 1.00 0.00 O ATOM 0 H ASP A 8 -17.885 -3.317 7.206 1.00 0.00 H new ATOM 0 HA ASP A 8 -17.098 -5.363 5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.569 -4.930 7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.289 -6.390 6.181 1.00 0.00 H new ATOM 136 N VAL A 9 -18.236 -4.768 3.293 1.00 0.00 N ATOM 137 CA VAL A 9 -18.930 -4.565 2.026 1.00 0.00 C ATOM 138 C VAL A 9 -19.373 -5.904 1.458 1.00 0.00 C ATOM 139 O VAL A 9 -18.729 -6.929 1.686 1.00 0.00 O ATOM 140 CB VAL A 9 -18.045 -3.831 0.983 1.00 0.00 C ATOM 141 CG1 VAL A 9 -18.220 -4.398 -0.417 1.00 0.00 C ATOM 142 CG2 VAL A 9 -18.373 -2.366 0.945 1.00 0.00 C ATOM 0 H VAL A 9 -17.297 -5.156 3.198 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.797 -3.936 2.229 1.00 0.00 H new ATOM 0 HB VAL A 9 -17.012 -3.979 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.581 -3.853 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -17.943 -5.452 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -19.261 -4.295 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.741 -1.871 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -19.420 -2.235 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.196 -1.928 1.927 1.00 0.00 H new ATOM 152 N THR A 10 -20.457 -5.891 0.701 1.00 0.00 N ATOM 153 CA THR A 10 -20.952 -7.110 0.088 1.00 0.00 C ATOM 154 C THR A 10 -20.326 -7.298 -1.293 1.00 0.00 C ATOM 155 O THR A 10 -20.692 -6.599 -2.237 1.00 0.00 O ATOM 156 CB THR A 10 -22.476 -7.071 -0.025 1.00 0.00 C ATOM 157 OG1 THR A 10 -23.071 -6.929 1.254 1.00 0.00 O ATOM 158 CG2 THR A 10 -23.063 -8.309 -0.669 1.00 0.00 C ATOM 0 H THR A 10 -21.007 -5.056 0.498 1.00 0.00 H new ATOM 0 HA THR A 10 -20.672 -7.953 0.719 1.00 0.00 H new ATOM 0 HB THR A 10 -22.695 -6.213 -0.661 1.00 0.00 H new ATOM 0 HG1 THR A 10 -24.046 -6.904 1.160 1.00 0.00 H new ATOM 0 HG21 THR A 10 -24.148 -8.214 -0.717 1.00 0.00 H new ATOM 0 HG22 THR A 10 -22.663 -8.419 -1.677 1.00 0.00 H new ATOM 0 HG23 THR A 10 -22.801 -9.186 -0.077 1.00 0.00 H new ATOM 166 N ALA A 11 -19.364 -8.232 -1.391 1.00 0.00 N ATOM 167 CA ALA A 11 -18.647 -8.517 -2.642 1.00 0.00 C ATOM 168 C ALA A 11 -17.213 -8.033 -2.528 1.00 0.00 C ATOM 169 O ALA A 11 -16.268 -8.735 -2.875 1.00 0.00 O ATOM 170 CB ALA A 11 -19.319 -7.866 -3.845 1.00 0.00 C ATOM 0 H ALA A 11 -19.063 -8.809 -0.605 1.00 0.00 H new ATOM 0 HA ALA A 11 -18.665 -9.595 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.756 -8.102 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.337 -8.244 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.345 -6.785 -3.706 1.00 0.00 H new ATOM 176 N ASP A 12 -17.074 -6.817 -2.031 1.00 0.00 N ATOM 177 CA ASP A 12 -15.773 -6.190 -1.843 1.00 0.00 C ATOM 178 C ASP A 12 -15.536 -5.860 -0.372 1.00 0.00 C ATOM 179 O ASP A 12 -16.441 -5.935 0.454 1.00 0.00 O ATOM 180 CB ASP A 12 -15.638 -4.907 -2.677 1.00 0.00 C ATOM 181 CG ASP A 12 -16.935 -4.489 -3.349 1.00 0.00 C ATOM 182 OD1 ASP A 12 -17.491 -5.298 -4.122 1.00 0.00 O ATOM 183 OD2 ASP A 12 -17.393 -3.354 -3.101 1.00 0.00 O ATOM 0 H ASP A 12 -17.860 -6.233 -1.745 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.023 -6.906 -2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.293 -4.098 -2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.873 -5.056 -3.439 1.00 0.00 H new ATOM 188 N ALA A 13 -14.308 -5.487 -0.061 1.00 0.00 N ATOM 189 CA ALA A 13 -13.938 -5.115 1.293 1.00 0.00 C ATOM 190 C ALA A 13 -12.884 -4.020 1.247 1.00 0.00 C ATOM 191 O ALA A 13 -11.817 -4.204 0.666 1.00 0.00 O ATOM 192 CB ALA A 13 -13.427 -6.324 2.057 1.00 0.00 C ATOM 0 H ALA A 13 -13.544 -5.433 -0.734 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.818 -4.738 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.155 -6.026 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.207 -7.084 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.552 -6.731 1.551 1.00 0.00 H new ATOM 198 N GLY A 14 -13.185 -2.877 1.853 1.00 0.00 N ATOM 199 CA GLY A 14 -12.241 -1.779 1.842 1.00 0.00 C ATOM 200 C GLY A 14 -11.771 -1.394 3.222 1.00 0.00 C ATOM 201 O GLY A 14 -12.561 -1.310 4.162 1.00 0.00 O ATOM 0 H GLY A 14 -14.058 -2.693 2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.379 -2.054 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.703 -0.914 1.367 1.00 0.00 H new ATOM 205 N PHE A 15 -10.475 -1.152 3.337 1.00 0.00 N ATOM 206 CA PHE A 15 -9.882 -0.763 4.601 1.00 0.00 C ATOM 207 C PHE A 15 -9.534 0.715 4.568 1.00 0.00 C ATOM 208 O PHE A 15 -9.330 1.290 3.498 1.00 0.00 O ATOM 209 CB PHE A 15 -8.624 -1.589 4.887 1.00 0.00 C ATOM 210 CG PHE A 15 -8.685 -2.997 4.360 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.515 -3.252 3.009 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.910 -4.064 5.216 1.00 0.00 C ATOM 213 CE1 PHE A 15 -8.570 -4.543 2.521 1.00 0.00 C ATOM 214 CE2 PHE A 15 -8.966 -5.358 4.733 1.00 0.00 C ATOM 215 CZ PHE A 15 -8.795 -5.597 3.384 1.00 0.00 C ATOM 0 H PHE A 15 -9.813 -1.219 2.564 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.603 -0.949 5.397 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.763 -1.085 4.449 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.460 -1.622 5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.337 -2.432 2.329 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -9.043 -3.882 6.272 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.437 -4.728 1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.143 -6.181 5.410 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.837 -6.607 3.004 1.00 0.00 H new ATOM 225 N TRP A 16 -9.467 1.330 5.737 1.00 0.00 N ATOM 226 CA TRP A 16 -9.144 2.743 5.825 1.00 0.00 C ATOM 227 C TRP A 16 -7.775 2.932 6.457 1.00 0.00 C ATOM 228 O TRP A 16 -7.412 2.227 7.394 1.00 0.00 O ATOM 229 CB TRP A 16 -10.208 3.490 6.639 1.00 0.00 C ATOM 230 CG TRP A 16 -10.899 4.574 5.868 1.00 0.00 C ATOM 231 CD1 TRP A 16 -11.201 4.568 4.537 1.00 0.00 C ATOM 232 CD2 TRP A 16 -11.379 5.821 6.383 1.00 0.00 C ATOM 233 NE1 TRP A 16 -11.837 5.737 4.193 1.00 0.00 N ATOM 234 CE2 TRP A 16 -11.958 6.522 5.309 1.00 0.00 C ATOM 235 CE3 TRP A 16 -11.375 6.413 7.650 1.00 0.00 C ATOM 236 CZ2 TRP A 16 -12.527 7.784 5.464 1.00 0.00 C ATOM 237 CZ3 TRP A 16 -11.940 7.665 7.801 1.00 0.00 C ATOM 238 CH2 TRP A 16 -12.510 8.339 6.714 1.00 0.00 C ATOM 0 H TRP A 16 -9.631 0.875 6.635 1.00 0.00 H new ATOM 0 HA TRP A 16 -9.127 3.155 4.816 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -10.952 2.776 6.992 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -9.740 3.925 7.522 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -10.974 3.763 3.854 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -12.165 5.980 3.259 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -10.938 5.901 8.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -12.966 8.306 4.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -11.942 8.132 8.775 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -12.945 9.316 6.866 1.00 0.00 H new ATOM 249 N ALA A 17 -7.022 3.888 5.936 1.00 0.00 N ATOM 250 CA ALA A 17 -5.692 4.176 6.451 1.00 0.00 C ATOM 251 C ALA A 17 -5.627 5.592 6.944 1.00 0.00 C ATOM 252 O ALA A 17 -6.162 6.508 6.333 1.00 0.00 O ATOM 253 CB ALA A 17 -4.631 3.911 5.393 1.00 0.00 C ATOM 0 H ALA A 17 -7.309 4.479 5.156 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.490 3.511 7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.646 4.134 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.671 2.864 5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.816 4.545 4.526 1.00 0.00 H new ATOM 259 N TYR A 18 -5.005 5.744 8.088 1.00 0.00 N ATOM 260 CA TYR A 18 -4.900 7.029 8.727 1.00 0.00 C ATOM 261 C TYR A 18 -3.463 7.533 8.759 1.00 0.00 C ATOM 262 O TYR A 18 -2.517 6.748 8.769 1.00 0.00 O ATOM 263 CB TYR A 18 -5.429 6.887 10.137 1.00 0.00 C ATOM 264 CG TYR A 18 -6.934 6.899 10.237 1.00 0.00 C ATOM 265 CD1 TYR A 18 -7.636 8.089 10.368 1.00 0.00 C ATOM 266 CD2 TYR A 18 -7.649 5.712 10.205 1.00 0.00 C ATOM 267 CE1 TYR A 18 -9.013 8.093 10.465 1.00 0.00 C ATOM 268 CE2 TYR A 18 -9.024 5.705 10.299 1.00 0.00 C ATOM 269 CZ TYR A 18 -9.704 6.898 10.430 1.00 0.00 C ATOM 270 OH TYR A 18 -11.077 6.897 10.526 1.00 0.00 O ATOM 0 H TYR A 18 -4.559 4.982 8.599 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.479 7.759 8.161 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.055 5.955 10.561 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.029 7.697 10.746 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.098 9.025 10.394 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.119 4.776 10.105 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.547 9.026 10.568 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -9.566 4.771 10.270 1.00 0.00 H new ATOM 0 HH TYR A 18 -11.468 6.825 9.630 1.00 0.00 H new ATOM 280 N GLY A 19 -3.316 8.853 8.778 1.00 0.00 N ATOM 281 CA GLY A 19 -1.998 9.448 8.815 1.00 0.00 C ATOM 282 C GLY A 19 -1.839 10.465 9.868 1.00 0.00 C ATOM 283 O GLY A 19 -2.685 10.663 10.740 1.00 0.00 O ATOM 0 H GLY A 19 -4.088 9.520 8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.258 8.662 8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.787 9.903 7.847 1.00 0.00 H new ATOM 287 N HIS A 20 -0.705 11.084 9.772 1.00 0.00 N ATOM 288 CA HIS A 20 -0.302 12.083 10.678 1.00 0.00 C ATOM 289 C HIS A 20 0.562 13.128 9.972 1.00 0.00 C ATOM 290 O HIS A 20 1.019 14.088 10.591 1.00 0.00 O ATOM 291 CB HIS A 20 0.470 11.408 11.785 1.00 0.00 C ATOM 292 CG HIS A 20 0.321 9.913 11.864 1.00 0.00 C ATOM 293 ND1 HIS A 20 1.363 9.036 11.642 1.00 0.00 N ATOM 294 CD2 HIS A 20 -0.753 9.143 12.168 1.00 0.00 C ATOM 295 CE1 HIS A 20 0.937 7.796 11.802 1.00 0.00 C ATOM 296 NE2 HIS A 20 -0.342 7.834 12.122 1.00 0.00 N ATOM 0 H HIS A 20 -0.024 10.895 9.037 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.169 12.602 11.086 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.527 11.644 11.662 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.156 11.837 12.736 1.00 0.00 H new ATOM 0 HD1 HIS A 20 2.315 9.304 11.393 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.747 9.494 12.403 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.534 6.903 11.690 1.00 0.00 H new ATOM 305 N ASP A 21 0.784 12.934 8.667 1.00 0.00 N ATOM 306 CA ASP A 21 1.598 13.869 7.890 1.00 0.00 C ATOM 307 C ASP A 21 1.685 13.459 6.421 1.00 0.00 C ATOM 308 O ASP A 21 2.712 13.660 5.774 1.00 0.00 O ATOM 309 CB ASP A 21 3.005 13.963 8.482 1.00 0.00 C ATOM 310 CG ASP A 21 3.625 15.332 8.281 1.00 0.00 C ATOM 311 OD1 ASP A 21 2.967 16.337 8.622 1.00 0.00 O ATOM 312 OD2 ASP A 21 4.769 15.399 7.783 1.00 0.00 O ATOM 0 H ASP A 21 0.415 12.147 8.134 1.00 0.00 H new ATOM 0 HA ASP A 21 1.113 14.844 7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.964 13.738 9.548 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.642 13.207 8.021 1.00 0.00 H new ATOM 317 N LEU A 22 0.605 12.884 5.902 1.00 0.00 N ATOM 318 CA LEU A 22 0.546 12.443 4.509 1.00 0.00 C ATOM 319 C LEU A 22 1.397 11.198 4.294 1.00 0.00 C ATOM 320 O LEU A 22 0.898 10.164 3.853 1.00 0.00 O ATOM 321 CB LEU A 22 0.994 13.562 3.565 1.00 0.00 C ATOM 322 CG LEU A 22 0.233 14.881 3.716 1.00 0.00 C ATOM 323 CD1 LEU A 22 1.185 16.066 3.629 1.00 0.00 C ATOM 324 CD2 LEU A 22 -0.856 14.994 2.659 1.00 0.00 C ATOM 0 H LEU A 22 -0.250 12.710 6.430 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.490 12.193 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.055 13.752 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.887 13.214 2.538 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.238 14.892 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.623 16.993 3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.927 15.995 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.687 16.059 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.386 15.938 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.405 14.958 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.557 14.167 2.769 1.00 0.00 H new ATOM 336 N GLU A 23 2.681 11.294 4.618 1.00 0.00 N ATOM 337 CA GLU A 23 3.587 10.162 4.466 1.00 0.00 C ATOM 338 C GLU A 23 3.082 8.967 5.265 1.00 0.00 C ATOM 339 O GLU A 23 3.307 7.812 4.902 1.00 0.00 O ATOM 340 CB GLU A 23 5.001 10.529 4.930 1.00 0.00 C ATOM 341 CG GLU A 23 5.776 11.362 3.928 1.00 0.00 C ATOM 342 CD GLU A 23 6.488 12.537 4.571 1.00 0.00 C ATOM 343 OE1 GLU A 23 7.429 12.301 5.358 1.00 0.00 O ATOM 344 OE2 GLU A 23 6.104 13.691 4.287 1.00 0.00 O ATOM 0 H GLU A 23 3.117 12.140 4.986 1.00 0.00 H new ATOM 0 HA GLU A 23 3.621 9.899 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.934 11.077 5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.556 9.613 5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.508 10.730 3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.093 11.731 3.163 1.00 0.00 H new ATOM 351 N GLU A 24 2.415 9.269 6.370 1.00 0.00 N ATOM 352 CA GLU A 24 1.880 8.251 7.267 1.00 0.00 C ATOM 353 C GLU A 24 0.758 7.440 6.612 1.00 0.00 C ATOM 354 O GLU A 24 0.752 6.211 6.694 1.00 0.00 O ATOM 355 CB GLU A 24 1.368 8.918 8.546 1.00 0.00 C ATOM 356 CG GLU A 24 2.263 10.041 9.053 1.00 0.00 C ATOM 357 CD GLU A 24 3.668 9.568 9.370 1.00 0.00 C ATOM 358 OE1 GLU A 24 4.375 9.138 8.434 1.00 0.00 O ATOM 359 OE2 GLU A 24 4.061 9.626 10.554 1.00 0.00 O ATOM 0 H GLU A 24 2.229 10.226 6.671 1.00 0.00 H new ATOM 0 HA GLU A 24 2.685 7.556 7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.370 9.316 8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.272 8.162 9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.310 10.830 8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.820 10.478 9.948 1.00 0.00 H new ATOM 366 N VAL A 25 -0.196 8.121 5.976 1.00 0.00 N ATOM 367 CA VAL A 25 -1.316 7.426 5.332 1.00 0.00 C ATOM 368 C VAL A 25 -0.841 6.516 4.207 1.00 0.00 C ATOM 369 O VAL A 25 -1.177 5.332 4.175 1.00 0.00 O ATOM 370 CB VAL A 25 -2.392 8.385 4.771 1.00 0.00 C ATOM 371 CG1 VAL A 25 -3.453 8.665 5.820 1.00 0.00 C ATOM 372 CG2 VAL A 25 -1.781 9.682 4.257 1.00 0.00 C ATOM 0 H VAL A 25 -0.219 9.137 5.892 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.770 6.832 6.125 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.864 7.892 3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.202 9.341 5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.930 7.730 6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.989 9.125 6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.570 10.328 3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.263 10.188 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.072 9.459 3.459 1.00 0.00 H new ATOM 382 N PHE A 26 -0.055 7.064 3.284 1.00 0.00 N ATOM 383 CA PHE A 26 0.460 6.280 2.166 1.00 0.00 C ATOM 384 C PHE A 26 1.086 4.987 2.675 1.00 0.00 C ATOM 385 O PHE A 26 0.953 3.930 2.062 1.00 0.00 O ATOM 386 CB PHE A 26 1.487 7.090 1.374 1.00 0.00 C ATOM 387 CG PHE A 26 0.906 8.304 0.707 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.113 8.180 -0.224 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.377 9.571 1.013 1.00 0.00 C ATOM 390 CE1 PHE A 26 -0.651 9.295 -0.838 1.00 0.00 C ATOM 391 CE2 PHE A 26 0.844 10.691 0.402 1.00 0.00 C ATOM 392 CZ PHE A 26 -0.171 10.552 -0.524 1.00 0.00 C ATOM 0 H PHE A 26 0.237 8.041 3.288 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.370 6.031 1.504 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.288 7.402 2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.937 6.449 0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.491 7.200 -0.473 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.170 9.685 1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.445 9.184 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.221 11.673 0.648 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.589 11.425 -1.002 1.00 0.00 H new ATOM 402 N GLU A 27 1.752 5.083 3.816 1.00 0.00 N ATOM 403 CA GLU A 27 2.385 3.930 4.436 1.00 0.00 C ATOM 404 C GLU A 27 1.315 2.981 4.968 1.00 0.00 C ATOM 405 O GLU A 27 1.423 1.761 4.837 1.00 0.00 O ATOM 406 CB GLU A 27 3.296 4.389 5.574 1.00 0.00 C ATOM 407 CG GLU A 27 4.567 3.572 5.705 1.00 0.00 C ATOM 408 CD GLU A 27 4.556 2.678 6.929 1.00 0.00 C ATOM 409 OE1 GLU A 27 3.721 1.751 6.981 1.00 0.00 O ATOM 410 OE2 GLU A 27 5.384 2.904 7.837 1.00 0.00 O ATOM 0 H GLU A 27 1.868 5.954 4.334 1.00 0.00 H new ATOM 0 HA GLU A 27 2.987 3.405 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.561 5.434 5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.744 4.339 6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.696 2.960 4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.424 4.244 5.757 1.00 0.00 H new ATOM 417 N ASN A 28 0.277 3.563 5.559 1.00 0.00 N ATOM 418 CA ASN A 28 -0.833 2.798 6.112 1.00 0.00 C ATOM 419 C ASN A 28 -1.679 2.175 5.002 1.00 0.00 C ATOM 420 O ASN A 28 -2.323 1.145 5.204 1.00 0.00 O ATOM 421 CB ASN A 28 -1.704 3.693 6.994 1.00 0.00 C ATOM 422 CG ASN A 28 -2.504 2.903 8.010 1.00 0.00 C ATOM 423 OD1 ASN A 28 -3.033 1.833 7.706 1.00 0.00 O ATOM 424 ND2 ASN A 28 -2.595 3.428 9.227 1.00 0.00 N ATOM 0 H ASN A 28 0.182 4.573 5.668 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.419 1.992 6.718 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.071 4.412 7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.386 4.265 6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.119 2.942 9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.140 4.317 9.434 1.00 0.00 H new ATOM 431 N ALA A 29 -1.683 2.811 3.832 1.00 0.00 N ATOM 432 CA ALA A 29 -2.459 2.323 2.694 1.00 0.00 C ATOM 433 C ALA A 29 -2.149 0.860 2.396 1.00 0.00 C ATOM 434 O ALA A 29 -3.056 0.040 2.255 1.00 0.00 O ATOM 435 CB ALA A 29 -2.188 3.181 1.466 1.00 0.00 C ATOM 0 H ALA A 29 -1.157 3.665 3.647 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.515 2.395 2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.772 2.807 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.470 4.213 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.127 3.138 1.219 1.00 0.00 H new ATOM 441 N ALA A 30 -0.865 0.537 2.309 1.00 0.00 N ATOM 442 CA ALA A 30 -0.443 -0.830 2.036 1.00 0.00 C ATOM 443 C ALA A 30 -0.658 -1.720 3.256 1.00 0.00 C ATOM 444 O ALA A 30 -0.859 -2.927 3.129 1.00 0.00 O ATOM 445 CB ALA A 30 1.017 -0.856 1.612 1.00 0.00 C ATOM 0 H ALA A 30 -0.100 1.201 2.423 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.053 -1.219 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.319 -1.884 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.145 -0.257 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.635 -0.446 2.410 1.00 0.00 H new ATOM 451 N LEU A 31 -0.613 -1.112 4.439 1.00 0.00 N ATOM 452 CA LEU A 31 -0.800 -1.847 5.686 1.00 0.00 C ATOM 453 C LEU A 31 -2.114 -2.624 5.683 1.00 0.00 C ATOM 454 O LEU A 31 -2.219 -3.684 6.297 1.00 0.00 O ATOM 455 CB LEU A 31 -0.762 -0.886 6.877 1.00 0.00 C ATOM 456 CG LEU A 31 0.485 -1.001 7.761 1.00 0.00 C ATOM 457 CD1 LEU A 31 1.216 0.332 7.833 1.00 0.00 C ATOM 458 CD2 LEU A 31 0.110 -1.479 9.156 1.00 0.00 C ATOM 0 H LEU A 31 -0.449 -0.113 4.560 1.00 0.00 H new ATOM 0 HA LEU A 31 0.016 -2.564 5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.831 0.135 6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.644 -1.060 7.494 1.00 0.00 H new ATOM 0 HG LEU A 31 1.154 -1.736 7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.098 0.230 8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.521 0.634 6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.553 1.088 8.254 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.008 -1.554 9.769 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.581 -0.769 9.611 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.367 -2.457 9.090 1.00 0.00 H new ATOM 470 N ALA A 32 -3.117 -2.091 4.994 1.00 0.00 N ATOM 471 CA ALA A 32 -4.420 -2.742 4.923 1.00 0.00 C ATOM 472 C ALA A 32 -4.352 -4.035 4.115 1.00 0.00 C ATOM 473 O ALA A 32 -4.771 -5.093 4.584 1.00 0.00 O ATOM 474 CB ALA A 32 -5.452 -1.796 4.325 1.00 0.00 C ATOM 0 H ALA A 32 -3.053 -1.213 4.478 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.722 -2.998 5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.420 -2.296 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.533 -0.905 4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.143 -1.509 3.320 1.00 0.00 H new ATOM 480 N MET A 33 -3.834 -3.938 2.895 1.00 0.00 N ATOM 481 CA MET A 33 -3.723 -5.096 2.011 1.00 0.00 C ATOM 482 C MET A 33 -2.634 -6.066 2.467 1.00 0.00 C ATOM 483 O MET A 33 -2.817 -7.281 2.411 1.00 0.00 O ATOM 484 CB MET A 33 -3.440 -4.637 0.579 1.00 0.00 C ATOM 485 CG MET A 33 -2.215 -3.748 0.454 1.00 0.00 C ATOM 486 SD MET A 33 -1.755 -3.436 -1.261 1.00 0.00 S ATOM 487 CE MET A 33 -1.177 -5.058 -1.757 1.00 0.00 C ATOM 0 H MET A 33 -3.483 -3.068 2.494 1.00 0.00 H new ATOM 0 HA MET A 33 -4.675 -5.626 2.049 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.308 -5.514 -0.055 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.309 -4.098 0.201 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.408 -2.798 0.953 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.377 -4.216 0.971 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.823 -5.019 -2.787 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.361 -5.369 -1.105 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.995 -5.775 -1.681 1.00 0.00 H new ATOM 497 N PHE A 34 -1.495 -5.531 2.896 1.00 0.00 N ATOM 498 CA PHE A 34 -0.377 -6.365 3.333 1.00 0.00 C ATOM 499 C PHE A 34 -0.717 -7.137 4.611 1.00 0.00 C ATOM 500 O PHE A 34 -0.250 -8.259 4.808 1.00 0.00 O ATOM 501 CB PHE A 34 0.890 -5.505 3.508 1.00 0.00 C ATOM 502 CG PHE A 34 1.436 -5.435 4.912 1.00 0.00 C ATOM 503 CD1 PHE A 34 0.689 -4.880 5.935 1.00 0.00 C ATOM 504 CD2 PHE A 34 2.704 -5.917 5.199 1.00 0.00 C ATOM 505 CE1 PHE A 34 1.191 -4.806 7.220 1.00 0.00 C ATOM 506 CE2 PHE A 34 3.212 -5.847 6.482 1.00 0.00 C ATOM 507 CZ PHE A 34 2.454 -5.290 7.494 1.00 0.00 C ATOM 0 H PHE A 34 -1.321 -4.528 2.951 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.181 -7.108 2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.668 -5.897 2.853 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.670 -4.492 3.171 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.300 -4.499 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.301 -6.352 4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.596 -4.370 8.009 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.200 -6.227 6.694 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.849 -5.233 8.498 1.00 0.00 H new ATOM 517 N GLU A 35 -1.528 -6.534 5.476 1.00 0.00 N ATOM 518 CA GLU A 35 -1.917 -7.178 6.728 1.00 0.00 C ATOM 519 C GLU A 35 -2.764 -8.420 6.467 1.00 0.00 C ATOM 520 O GLU A 35 -2.734 -9.377 7.240 1.00 0.00 O ATOM 521 CB GLU A 35 -2.692 -6.202 7.616 1.00 0.00 C ATOM 522 CG GLU A 35 -1.810 -5.428 8.583 1.00 0.00 C ATOM 523 CD GLU A 35 -2.172 -5.676 10.034 1.00 0.00 C ATOM 524 OE1 GLU A 35 -3.357 -5.506 10.389 1.00 0.00 O ATOM 525 OE2 GLU A 35 -1.270 -6.042 10.817 1.00 0.00 O ATOM 0 H GLU A 35 -1.927 -5.606 5.335 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.005 -7.482 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.230 -5.496 6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.440 -6.755 8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.769 -5.706 8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.892 -4.362 8.370 1.00 0.00 H new ATOM 532 N VAL A 36 -3.523 -8.394 5.377 1.00 0.00 N ATOM 533 CA VAL A 36 -4.385 -9.516 5.021 1.00 0.00 C ATOM 534 C VAL A 36 -3.746 -10.392 3.951 1.00 0.00 C ATOM 535 O VAL A 36 -3.892 -11.614 3.965 1.00 0.00 O ATOM 536 CB VAL A 36 -5.754 -9.034 4.511 1.00 0.00 C ATOM 537 CG1 VAL A 36 -6.578 -8.457 5.652 1.00 0.00 C ATOM 538 CG2 VAL A 36 -5.581 -8.012 3.396 1.00 0.00 C ATOM 0 H VAL A 36 -3.559 -7.610 4.725 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.524 -10.100 5.931 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.291 -9.891 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.543 -8.122 5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.734 -9.223 6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.048 -7.612 6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.560 -7.683 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.023 -7.155 3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.036 -8.465 2.568 1.00 0.00 H new ATOM 548 N MET A 37 -3.041 -9.758 3.021 1.00 0.00 N ATOM 549 CA MET A 37 -2.382 -10.476 1.935 1.00 0.00 C ATOM 550 C MET A 37 -1.463 -11.572 2.469 1.00 0.00 C ATOM 551 O MET A 37 -1.156 -12.531 1.763 1.00 0.00 O ATOM 552 CB MET A 37 -1.585 -9.503 1.066 1.00 0.00 C ATOM 553 CG MET A 37 -2.408 -8.864 -0.041 1.00 0.00 C ATOM 554 SD MET A 37 -2.181 -9.676 -1.634 1.00 0.00 S ATOM 555 CE MET A 37 -3.877 -10.066 -2.059 1.00 0.00 C ATOM 0 H MET A 37 -2.911 -8.747 2.997 1.00 0.00 H new ATOM 0 HA MET A 37 -3.155 -10.949 1.330 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.171 -8.718 1.699 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.742 -10.032 0.622 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.463 -8.896 0.231 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.134 -7.813 -0.131 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.891 -10.807 -2.858 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.388 -10.467 -1.184 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.385 -9.162 -2.394 1.00 0.00 H new ATOM 565 N THR A 38 -1.027 -11.427 3.720 1.00 0.00 N ATOM 566 CA THR A 38 -0.144 -12.413 4.339 1.00 0.00 C ATOM 567 C THR A 38 0.271 -11.975 5.742 1.00 0.00 C ATOM 568 O THR A 38 0.025 -10.839 6.148 1.00 0.00 O ATOM 569 CB THR A 38 1.102 -12.633 3.474 1.00 0.00 C ATOM 570 OG1 THR A 38 1.305 -11.538 2.600 1.00 0.00 O ATOM 571 CG2 THR A 38 1.032 -13.887 2.630 1.00 0.00 C ATOM 0 H THR A 38 -1.270 -10.640 4.322 1.00 0.00 H new ATOM 0 HA THR A 38 -0.694 -13.350 4.418 1.00 0.00 H new ATOM 0 HB THR A 38 1.928 -12.735 4.178 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.163 -11.111 2.804 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.945 -13.982 2.043 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.926 -14.757 3.279 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.174 -13.827 1.960 1.00 0.00 H new ATOM 579 N ASP A 39 0.908 -12.886 6.474 1.00 0.00 N ATOM 580 CA ASP A 39 1.366 -12.597 7.828 1.00 0.00 C ATOM 581 C ASP A 39 2.837 -12.196 7.823 1.00 0.00 C ATOM 582 O ASP A 39 3.722 -13.037 7.976 1.00 0.00 O ATOM 583 CB ASP A 39 1.160 -13.815 8.732 1.00 0.00 C ATOM 584 CG ASP A 39 1.340 -13.481 10.200 1.00 0.00 C ATOM 585 OD1 ASP A 39 0.573 -12.643 10.717 1.00 0.00 O ATOM 586 OD2 ASP A 39 2.250 -14.058 10.832 1.00 0.00 O ATOM 0 H ASP A 39 1.118 -13.830 6.151 1.00 0.00 H new ATOM 0 HA ASP A 39 0.778 -11.765 8.216 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.159 -14.217 8.573 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.866 -14.597 8.451 1.00 0.00 H new ATOM 591 N THR A 40 3.087 -10.906 7.636 1.00 0.00 N ATOM 592 CA THR A 40 4.449 -10.378 7.597 1.00 0.00 C ATOM 593 C THR A 40 5.089 -10.380 8.986 1.00 0.00 C ATOM 594 O THR A 40 6.312 -10.343 9.110 1.00 0.00 O ATOM 595 CB THR A 40 4.454 -8.959 7.019 1.00 0.00 C ATOM 596 OG1 THR A 40 4.202 -8.002 8.031 1.00 0.00 O ATOM 597 CG2 THR A 40 3.428 -8.752 5.924 1.00 0.00 C ATOM 0 H THR A 40 2.361 -10.201 7.508 1.00 0.00 H new ATOM 0 HA THR A 40 5.039 -11.029 6.952 1.00 0.00 H new ATOM 0 HB THR A 40 5.448 -8.828 6.591 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.457 -7.426 7.759 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.486 -7.726 5.560 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.628 -9.440 5.103 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.430 -8.940 6.320 1.00 0.00 H new ATOM 605 N SER A 41 4.258 -10.408 10.024 1.00 0.00 N ATOM 606 CA SER A 41 4.745 -10.400 11.402 1.00 0.00 C ATOM 607 C SER A 41 5.593 -11.634 11.710 1.00 0.00 C ATOM 608 O SER A 41 5.136 -12.557 12.384 1.00 0.00 O ATOM 609 CB SER A 41 3.568 -10.322 12.375 1.00 0.00 C ATOM 610 OG SER A 41 3.276 -8.979 12.719 1.00 0.00 O ATOM 0 H SER A 41 3.242 -10.436 9.938 1.00 0.00 H new ATOM 0 HA SER A 41 5.378 -9.521 11.523 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.689 -10.784 11.925 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.800 -10.889 13.277 1.00 0.00 H new ATOM 0 HG SER A 41 2.519 -8.958 13.341 1.00 0.00 H new ATOM 616 N LEU A 42 6.835 -11.630 11.225 1.00 0.00 N ATOM 617 CA LEU A 42 7.771 -12.738 11.451 1.00 0.00 C ATOM 618 C LEU A 42 9.044 -12.588 10.607 1.00 0.00 C ATOM 619 O LEU A 42 10.001 -13.342 10.782 1.00 0.00 O ATOM 620 CB LEU A 42 7.110 -14.101 11.168 1.00 0.00 C ATOM 621 CG LEU A 42 6.762 -14.405 9.702 1.00 0.00 C ATOM 622 CD1 LEU A 42 6.242 -13.168 8.988 1.00 0.00 C ATOM 623 CD2 LEU A 42 7.966 -14.982 8.972 1.00 0.00 C ATOM 0 H LEU A 42 7.221 -10.867 10.669 1.00 0.00 H new ATOM 0 HA LEU A 42 8.052 -12.700 12.503 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.776 -14.884 11.530 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.194 -14.164 11.756 1.00 0.00 H new ATOM 0 HG LEU A 42 5.966 -15.150 9.697 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.005 -13.417 7.954 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.343 -12.809 9.490 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.004 -12.389 9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.698 -15.190 7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.786 -14.264 8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.278 -15.906 9.459 1.00 0.00 H new ATOM 635 N VAL A 43 9.053 -11.618 9.694 1.00 0.00 N ATOM 636 CA VAL A 43 10.205 -11.379 8.831 1.00 0.00 C ATOM 637 C VAL A 43 10.800 -9.995 9.093 1.00 0.00 C ATOM 638 O VAL A 43 10.074 -9.008 9.206 1.00 0.00 O ATOM 639 CB VAL A 43 9.805 -11.511 7.344 1.00 0.00 C ATOM 640 CG1 VAL A 43 10.826 -10.855 6.421 1.00 0.00 C ATOM 641 CG2 VAL A 43 9.611 -12.974 6.972 1.00 0.00 C ATOM 0 H VAL A 43 8.271 -10.983 9.534 1.00 0.00 H new ATOM 0 HA VAL A 43 10.961 -12.131 9.059 1.00 0.00 H new ATOM 0 HB VAL A 43 8.860 -10.985 7.211 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.507 -10.970 5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.905 -9.795 6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.797 -11.330 6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.330 -13.048 5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.541 -13.518 7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.823 -13.405 7.590 1.00 0.00 H new ATOM 651 N GLU A 44 12.124 -9.936 9.194 1.00 0.00 N ATOM 652 CA GLU A 44 12.819 -8.678 9.448 1.00 0.00 C ATOM 653 C GLU A 44 12.943 -7.841 8.176 1.00 0.00 C ATOM 654 O GLU A 44 12.157 -6.922 7.948 1.00 0.00 O ATOM 655 CB GLU A 44 14.207 -8.952 10.035 1.00 0.00 C ATOM 656 CG GLU A 44 14.304 -8.673 11.526 1.00 0.00 C ATOM 657 CD GLU A 44 14.536 -9.930 12.342 1.00 0.00 C ATOM 658 OE1 GLU A 44 15.468 -10.691 12.008 1.00 0.00 O ATOM 659 OE2 GLU A 44 13.784 -10.154 13.314 1.00 0.00 O ATOM 0 H GLU A 44 12.738 -10.745 9.104 1.00 0.00 H new ATOM 0 HA GLU A 44 12.229 -8.109 10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.471 -9.993 9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.941 -8.340 9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.118 -7.971 11.708 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.386 -8.191 11.862 1.00 0.00 H new ATOM 666 N ALA A 45 13.939 -8.162 7.355 1.00 0.00 N ATOM 667 CA ALA A 45 14.177 -7.438 6.108 1.00 0.00 C ATOM 668 C ALA A 45 15.401 -7.988 5.382 1.00 0.00 C ATOM 669 O ALA A 45 16.538 -7.687 5.745 1.00 0.00 O ATOM 670 CB ALA A 45 14.352 -5.951 6.383 1.00 0.00 C ATOM 0 H ALA A 45 14.597 -8.921 7.531 1.00 0.00 H new ATOM 0 HA ALA A 45 13.308 -7.577 5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.528 -5.426 5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.450 -5.560 6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.203 -5.802 7.048 1.00 0.00 H new ATOM 676 N ALA A 46 15.159 -8.801 4.361 1.00 0.00 N ATOM 677 CA ALA A 46 16.237 -9.405 3.586 1.00 0.00 C ATOM 678 C ALA A 46 16.427 -8.725 2.236 1.00 0.00 C ATOM 679 O ALA A 46 17.310 -9.102 1.464 1.00 0.00 O ATOM 680 CB ALA A 46 15.952 -10.885 3.370 1.00 0.00 C ATOM 0 H ALA A 46 14.222 -9.058 4.049 1.00 0.00 H new ATOM 0 HA ALA A 46 17.157 -9.277 4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.761 -11.330 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.878 -11.386 4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.012 -10.999 2.829 1.00 0.00 H new ATOM 686 N GLU A 47 15.583 -7.750 1.934 1.00 0.00 N ATOM 687 CA GLU A 47 15.653 -7.062 0.654 1.00 0.00 C ATOM 688 C GLU A 47 15.192 -5.624 0.767 1.00 0.00 C ATOM 689 O GLU A 47 14.607 -5.234 1.770 1.00 0.00 O ATOM 690 CB GLU A 47 14.757 -7.796 -0.324 1.00 0.00 C ATOM 691 CG GLU A 47 14.972 -7.453 -1.786 1.00 0.00 C ATOM 692 CD GLU A 47 16.431 -7.262 -2.155 1.00 0.00 C ATOM 693 OE1 GLU A 47 17.271 -8.058 -1.685 1.00 0.00 O ATOM 694 OE2 GLU A 47 16.734 -6.317 -2.913 1.00 0.00 O ATOM 0 H GLU A 47 14.845 -7.418 2.555 1.00 0.00 H new ATOM 0 HA GLU A 47 16.689 -7.054 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.907 -8.868 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.719 -7.586 -0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.550 -8.247 -2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.424 -6.541 -2.021 1.00 0.00 H new ATOM 701 N GLU A 48 15.436 -4.842 -0.278 1.00 0.00 N ATOM 702 CA GLU A 48 15.004 -3.457 -0.293 1.00 0.00 C ATOM 703 C GLU A 48 14.543 -3.037 -1.687 1.00 0.00 C ATOM 704 O GLU A 48 15.137 -3.422 -2.693 1.00 0.00 O ATOM 705 CB GLU A 48 16.112 -2.528 0.207 1.00 0.00 C ATOM 706 CG GLU A 48 15.599 -1.194 0.724 1.00 0.00 C ATOM 707 CD GLU A 48 16.719 -0.235 1.074 1.00 0.00 C ATOM 708 OE1 GLU A 48 17.531 -0.569 1.964 1.00 0.00 O ATOM 709 OE2 GLU A 48 16.787 0.849 0.458 1.00 0.00 O ATOM 0 H GLU A 48 15.928 -5.144 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 48 14.155 -3.372 0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.663 -3.029 1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.817 -2.347 -0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.958 -0.738 -0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.982 -1.364 1.606 1.00 0.00 H new ATOM 716 N ARG A 49 13.483 -2.237 -1.733 1.00 0.00 N ATOM 717 CA ARG A 49 12.936 -1.748 -2.992 1.00 0.00 C ATOM 718 C ARG A 49 12.486 -0.298 -2.843 1.00 0.00 C ATOM 719 O ARG A 49 11.957 0.088 -1.803 1.00 0.00 O ATOM 720 CB ARG A 49 11.756 -2.615 -3.443 1.00 0.00 C ATOM 721 CG ARG A 49 12.002 -4.110 -3.307 1.00 0.00 C ATOM 722 CD ARG A 49 12.765 -4.663 -4.501 1.00 0.00 C ATOM 723 NE ARG A 49 12.124 -4.316 -5.769 1.00 0.00 N ATOM 724 CZ ARG A 49 12.534 -3.334 -6.571 1.00 0.00 C ATOM 725 NH1 ARG A 49 13.585 -2.589 -6.248 1.00 0.00 N ATOM 726 NH2 ARG A 49 11.888 -3.095 -7.704 1.00 0.00 N ATOM 0 H ARG A 49 12.983 -1.912 -0.906 1.00 0.00 H new ATOM 0 HA ARG A 49 13.718 -1.804 -3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.876 -2.347 -2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.528 -2.388 -4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.564 -4.305 -2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.048 -4.629 -3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.784 -4.275 -4.492 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.836 -5.747 -4.415 1.00 0.00 H new ATOM 0 HE ARG A 49 11.311 -4.860 -6.058 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.087 -2.766 -5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.890 -1.840 -6.870 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.080 -3.662 -7.960 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.199 -2.344 -8.320 1.00 0.00 H new ATOM 740 N ARG A 50 12.707 0.504 -3.880 1.00 0.00 N ATOM 741 CA ARG A 50 12.325 1.912 -3.844 1.00 0.00 C ATOM 742 C ARG A 50 11.307 2.237 -4.933 1.00 0.00 C ATOM 743 O ARG A 50 11.376 1.711 -6.043 1.00 0.00 O ATOM 744 CB ARG A 50 13.563 2.798 -4.001 1.00 0.00 C ATOM 745 CG ARG A 50 14.109 3.315 -2.680 1.00 0.00 C ATOM 746 CD ARG A 50 15.496 3.915 -2.846 1.00 0.00 C ATOM 747 NE ARG A 50 15.801 4.885 -1.797 1.00 0.00 N ATOM 748 CZ ARG A 50 16.016 4.558 -0.524 1.00 0.00 C ATOM 749 NH1 ARG A 50 15.965 3.288 -0.141 1.00 0.00 N ATOM 750 NH2 ARG A 50 16.283 5.503 0.367 1.00 0.00 N ATOM 0 H ARG A 50 13.146 0.206 -4.751 1.00 0.00 H new ATOM 0 HA ARG A 50 11.861 2.111 -2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 50 14.343 2.232 -4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 50 13.315 3.646 -4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 50 13.432 4.067 -2.275 1.00 0.00 H new ATOM 0 HG3 ARG A 50 14.148 2.500 -1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 50 16.240 3.118 -2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 50 15.567 4.399 -3.820 1.00 0.00 H new ATOM 0 HE ARG A 50 15.852 5.871 -2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 50 15.760 2.558 -0.823 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.130 3.043 0.835 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.324 6.480 0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.448 5.253 1.342 1.00 0.00 H new ATOM 764 N VAL A 51 10.362 3.113 -4.603 1.00 0.00 N ATOM 765 CA VAL A 51 9.326 3.519 -5.545 1.00 0.00 C ATOM 766 C VAL A 51 9.177 5.038 -5.567 1.00 0.00 C ATOM 767 O VAL A 51 9.300 5.698 -4.536 1.00 0.00 O ATOM 768 CB VAL A 51 7.966 2.886 -5.194 1.00 0.00 C ATOM 769 CG1 VAL A 51 6.937 3.192 -6.271 1.00 0.00 C ATOM 770 CG2 VAL A 51 8.110 1.384 -4.997 1.00 0.00 C ATOM 0 H VAL A 51 10.293 3.556 -3.687 1.00 0.00 H new ATOM 0 HA VAL A 51 9.635 3.169 -6.530 1.00 0.00 H new ATOM 0 HB VAL A 51 7.617 3.321 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.984 2.736 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.811 4.271 -6.358 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.277 2.789 -7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.139 0.955 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.484 0.931 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.810 1.189 -4.185 1.00 0.00 H new ATOM 780 N GLU A 52 8.907 5.584 -6.748 1.00 0.00 N ATOM 781 CA GLU A 52 8.734 7.022 -6.907 1.00 0.00 C ATOM 782 C GLU A 52 7.401 7.315 -7.572 1.00 0.00 C ATOM 783 O GLU A 52 6.987 6.606 -8.489 1.00 0.00 O ATOM 784 CB GLU A 52 9.878 7.624 -7.730 1.00 0.00 C ATOM 785 CG GLU A 52 10.519 6.647 -8.705 1.00 0.00 C ATOM 786 CD GLU A 52 9.626 6.336 -9.891 1.00 0.00 C ATOM 787 OE1 GLU A 52 8.728 7.152 -10.188 1.00 0.00 O ATOM 788 OE2 GLU A 52 9.826 5.278 -10.523 1.00 0.00 O ATOM 0 H GLU A 52 8.803 5.050 -7.611 1.00 0.00 H new ATOM 0 HA GLU A 52 8.749 7.480 -5.918 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.500 8.481 -8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.644 7.998 -7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.461 7.062 -9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.757 5.721 -8.182 1.00 0.00 H new ATOM 795 N ILE A 53 6.718 8.347 -7.099 1.00 0.00 N ATOM 796 CA ILE A 53 5.422 8.700 -7.652 1.00 0.00 C ATOM 797 C ILE A 53 5.243 10.204 -7.784 1.00 0.00 C ATOM 798 O ILE A 53 5.819 10.976 -7.022 1.00 0.00 O ATOM 799 CB ILE A 53 4.270 8.138 -6.796 1.00 0.00 C ATOM 800 CG1 ILE A 53 4.773 7.072 -5.817 1.00 0.00 C ATOM 801 CG2 ILE A 53 3.208 7.561 -7.703 1.00 0.00 C ATOM 802 CD1 ILE A 53 3.677 6.469 -4.966 1.00 0.00 C ATOM 0 H ILE A 53 7.037 8.949 -6.340 1.00 0.00 H new ATOM 0 HA ILE A 53 5.390 8.253 -8.646 1.00 0.00 H new ATOM 0 HB ILE A 53 3.845 8.951 -6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.265 6.278 -6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.526 7.515 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.392 7.163 -7.100 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.826 8.343 -8.359 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.639 6.761 -8.305 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.105 5.723 -4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.200 7.253 -4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.935 5.996 -5.610 1.00 0.00 H new ATOM 814 N THR A 54 4.424 10.613 -8.750 1.00 0.00 N ATOM 815 CA THR A 54 4.152 12.027 -8.966 1.00 0.00 C ATOM 816 C THR A 54 2.655 12.314 -8.857 1.00 0.00 C ATOM 817 O THR A 54 1.861 11.859 -9.679 1.00 0.00 O ATOM 818 CB THR A 54 4.667 12.464 -10.338 1.00 0.00 C ATOM 819 OG1 THR A 54 5.938 11.896 -10.600 1.00 0.00 O ATOM 820 CG2 THR A 54 4.798 13.966 -10.478 1.00 0.00 C ATOM 0 H THR A 54 3.940 9.986 -9.392 1.00 0.00 H new ATOM 0 HA THR A 54 4.672 12.594 -8.194 1.00 0.00 H new ATOM 0 HB THR A 54 3.922 12.112 -11.052 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.250 12.186 -11.483 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.168 14.208 -11.474 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.824 14.432 -10.330 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.497 14.342 -9.731 1.00 0.00 H new ATOM 828 N SER A 55 2.286 13.086 -7.841 1.00 0.00 N ATOM 829 CA SER A 55 0.896 13.463 -7.615 1.00 0.00 C ATOM 830 C SER A 55 0.748 14.976 -7.643 1.00 0.00 C ATOM 831 O SER A 55 1.736 15.703 -7.539 1.00 0.00 O ATOM 832 CB SER A 55 0.398 12.920 -6.279 1.00 0.00 C ATOM 833 OG SER A 55 -0.846 13.496 -5.926 1.00 0.00 O ATOM 0 H SER A 55 2.938 13.466 -7.155 1.00 0.00 H new ATOM 0 HA SER A 55 0.294 13.030 -8.414 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.297 11.836 -6.339 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.133 13.129 -5.501 1.00 0.00 H new ATOM 0 HG SER A 55 -0.985 13.407 -4.960 1.00 0.00 H new ATOM 839 N GLU A 56 -0.481 15.452 -7.782 1.00 0.00 N ATOM 840 CA GLU A 56 -0.728 16.884 -7.820 1.00 0.00 C ATOM 841 C GLU A 56 -2.005 17.253 -7.079 1.00 0.00 C ATOM 842 O GLU A 56 -2.670 18.230 -7.423 1.00 0.00 O ATOM 843 CB GLU A 56 -0.806 17.365 -9.265 1.00 0.00 C ATOM 844 CG GLU A 56 0.511 17.909 -9.774 1.00 0.00 C ATOM 845 CD GLU A 56 0.613 17.878 -11.287 1.00 0.00 C ATOM 846 OE1 GLU A 56 0.219 16.857 -11.888 1.00 0.00 O ATOM 847 OE2 GLU A 56 1.087 18.877 -11.869 1.00 0.00 O ATOM 0 H GLU A 56 -1.316 14.872 -7.870 1.00 0.00 H new ATOM 0 HA GLU A 56 0.104 17.378 -7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.123 16.539 -9.901 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.569 18.139 -9.345 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.634 18.935 -9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.328 17.328 -9.347 1.00 0.00 H new ATOM 854 N ASP A 57 -2.348 16.473 -6.062 1.00 0.00 N ATOM 855 CA ASP A 57 -3.553 16.739 -5.290 1.00 0.00 C ATOM 856 C ASP A 57 -3.693 15.786 -4.103 1.00 0.00 C ATOM 857 O ASP A 57 -4.801 15.530 -3.636 1.00 0.00 O ATOM 858 CB ASP A 57 -4.776 16.633 -6.200 1.00 0.00 C ATOM 859 CG ASP A 57 -6.008 17.274 -5.593 1.00 0.00 C ATOM 860 OD1 ASP A 57 -6.100 18.520 -5.613 1.00 0.00 O ATOM 861 OD2 ASP A 57 -6.882 16.531 -5.098 1.00 0.00 O ATOM 0 H ASP A 57 -1.815 15.659 -5.755 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.479 17.749 -4.887 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.556 17.109 -7.156 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.981 15.583 -6.407 1.00 0.00 H new ATOM 866 N ARG A 58 -2.563 15.276 -3.612 1.00 0.00 N ATOM 867 CA ARG A 58 -2.561 14.361 -2.473 1.00 0.00 C ATOM 868 C ARG A 58 -3.286 13.057 -2.800 1.00 0.00 C ATOM 869 O ARG A 58 -2.671 11.992 -2.865 1.00 0.00 O ATOM 870 CB ARG A 58 -3.213 15.027 -1.258 1.00 0.00 C ATOM 871 CG ARG A 58 -2.730 16.446 -1.009 1.00 0.00 C ATOM 872 CD ARG A 58 -3.147 16.947 0.365 1.00 0.00 C ATOM 873 NE ARG A 58 -4.014 18.121 0.280 1.00 0.00 N ATOM 874 CZ ARG A 58 -5.324 18.062 0.051 1.00 0.00 C ATOM 875 NH1 ARG A 58 -5.925 16.890 -0.118 1.00 0.00 N ATOM 876 NH2 ARG A 58 -6.037 19.179 -0.011 1.00 0.00 N ATOM 0 H ARG A 58 -1.637 15.482 -3.987 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.523 14.122 -2.242 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.294 15.039 -1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.013 14.424 -0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.644 16.482 -1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.133 17.108 -1.776 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.666 16.151 0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.258 17.194 0.946 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.590 19.040 0.404 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.382 16.027 -0.073 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.929 16.852 -0.293 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.581 20.083 0.117 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.041 19.134 -0.186 1.00 0.00 H new ATOM 890 N VAL A 59 -4.598 13.145 -2.996 1.00 0.00 N ATOM 891 CA VAL A 59 -5.413 11.975 -3.303 1.00 0.00 C ATOM 892 C VAL A 59 -4.873 11.210 -4.506 1.00 0.00 C ATOM 893 O VAL A 59 -4.833 9.980 -4.502 1.00 0.00 O ATOM 894 CB VAL A 59 -6.876 12.368 -3.576 1.00 0.00 C ATOM 895 CG1 VAL A 59 -7.529 12.910 -2.314 1.00 0.00 C ATOM 896 CG2 VAL A 59 -6.955 13.384 -4.705 1.00 0.00 C ATOM 0 H VAL A 59 -5.121 14.019 -2.947 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.370 11.330 -2.425 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.421 11.475 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.563 13.182 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.508 12.146 -1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.985 13.791 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.997 13.649 -4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.395 14.278 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.530 12.954 -5.612 1.00 0.00 H new ATOM 906 N SER A 60 -4.460 11.941 -5.537 1.00 0.00 N ATOM 907 CA SER A 60 -3.928 11.317 -6.743 1.00 0.00 C ATOM 908 C SER A 60 -2.752 10.406 -6.410 1.00 0.00 C ATOM 909 O SER A 60 -2.628 9.315 -6.967 1.00 0.00 O ATOM 910 CB SER A 60 -3.501 12.383 -7.755 1.00 0.00 C ATOM 911 OG SER A 60 -4.488 12.559 -8.756 1.00 0.00 O ATOM 0 H SER A 60 -4.483 12.960 -5.562 1.00 0.00 H new ATOM 0 HA SER A 60 -4.718 10.710 -7.186 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.327 13.328 -7.241 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.557 12.093 -8.217 1.00 0.00 H new ATOM 0 HG SER A 60 -4.193 13.246 -9.389 1.00 0.00 H new ATOM 917 N LEU A 61 -1.892 10.845 -5.491 1.00 0.00 N ATOM 918 CA LEU A 61 -0.744 10.041 -5.094 1.00 0.00 C ATOM 919 C LEU A 61 -1.201 8.656 -4.657 1.00 0.00 C ATOM 920 O LEU A 61 -0.719 7.646 -5.163 1.00 0.00 O ATOM 921 CB LEU A 61 0.034 10.718 -3.964 1.00 0.00 C ATOM 922 CG LEU A 61 1.507 10.312 -3.861 1.00 0.00 C ATOM 923 CD1 LEU A 61 1.643 8.798 -3.814 1.00 0.00 C ATOM 924 CD2 LEU A 61 2.303 10.877 -5.027 1.00 0.00 C ATOM 0 H LEU A 61 -1.969 11.743 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.082 9.944 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.021 11.798 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.457 10.491 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 61 1.909 10.725 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.697 8.529 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.109 8.411 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.221 8.366 -4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.347 10.577 -4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.897 10.495 -5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.236 11.965 -5.020 1.00 0.00 H new ATOM 936 N LEU A 62 -2.152 8.615 -3.727 1.00 0.00 N ATOM 937 CA LEU A 62 -2.684 7.348 -3.243 1.00 0.00 C ATOM 938 C LEU A 62 -3.136 6.488 -4.419 1.00 0.00 C ATOM 939 O LEU A 62 -2.900 5.280 -4.450 1.00 0.00 O ATOM 940 CB LEU A 62 -3.861 7.587 -2.287 1.00 0.00 C ATOM 941 CG LEU A 62 -4.090 6.494 -1.232 1.00 0.00 C ATOM 942 CD1 LEU A 62 -3.829 5.114 -1.819 1.00 0.00 C ATOM 943 CD2 LEU A 62 -3.200 6.731 -0.019 1.00 0.00 C ATOM 0 H LEU A 62 -2.567 9.441 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.896 6.827 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.702 8.535 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.771 7.693 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.132 6.539 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.997 4.356 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.505 4.941 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.798 5.056 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.375 5.948 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.154 6.714 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.433 7.701 0.419 1.00 0.00 H new ATOM 955 N TYR A 63 -3.784 7.129 -5.388 1.00 0.00 N ATOM 956 CA TYR A 63 -4.274 6.440 -6.576 1.00 0.00 C ATOM 957 C TYR A 63 -3.150 5.697 -7.291 1.00 0.00 C ATOM 958 O TYR A 63 -3.364 4.623 -7.854 1.00 0.00 O ATOM 959 CB TYR A 63 -4.929 7.439 -7.532 1.00 0.00 C ATOM 960 CG TYR A 63 -5.900 6.803 -8.500 1.00 0.00 C ATOM 961 CD1 TYR A 63 -6.900 5.950 -8.049 1.00 0.00 C ATOM 962 CD2 TYR A 63 -5.819 7.056 -9.862 1.00 0.00 C ATOM 963 CE1 TYR A 63 -7.790 5.367 -8.930 1.00 0.00 C ATOM 964 CE2 TYR A 63 -6.706 6.477 -10.750 1.00 0.00 C ATOM 965 CZ TYR A 63 -7.690 5.633 -10.278 1.00 0.00 C ATOM 966 OH TYR A 63 -8.574 5.055 -11.159 1.00 0.00 O ATOM 0 H TYR A 63 -3.982 8.129 -5.372 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.014 5.707 -6.256 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -5.453 8.196 -6.949 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.151 7.953 -8.096 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.983 5.740 -6.993 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.050 7.716 -10.234 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.561 4.705 -8.564 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.629 6.684 -11.807 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.366 5.348 -12.071 1.00 0.00 H new ATOM 976 N ASP A 64 -1.954 6.276 -7.270 1.00 0.00 N ATOM 977 CA ASP A 64 -0.800 5.667 -7.924 1.00 0.00 C ATOM 978 C ASP A 64 0.054 4.886 -6.928 1.00 0.00 C ATOM 979 O ASP A 64 0.754 3.946 -7.303 1.00 0.00 O ATOM 980 CB ASP A 64 0.049 6.741 -8.606 1.00 0.00 C ATOM 981 CG ASP A 64 1.148 6.148 -9.466 1.00 0.00 C ATOM 982 OD1 ASP A 64 1.979 5.386 -8.927 1.00 0.00 O ATOM 983 OD2 ASP A 64 1.179 6.447 -10.679 1.00 0.00 O ATOM 0 H ASP A 64 -1.758 7.164 -6.808 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.171 4.970 -8.675 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.592 7.370 -9.223 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.493 7.386 -7.847 1.00 0.00 H new ATOM 988 N TRP A 65 -0.004 5.282 -5.660 1.00 0.00 N ATOM 989 CA TRP A 65 0.770 4.619 -4.617 1.00 0.00 C ATOM 990 C TRP A 65 0.407 3.140 -4.525 1.00 0.00 C ATOM 991 O TRP A 65 1.280 2.273 -4.569 1.00 0.00 O ATOM 992 CB TRP A 65 0.535 5.301 -3.264 1.00 0.00 C ATOM 993 CG TRP A 65 0.884 4.435 -2.088 1.00 0.00 C ATOM 994 CD1 TRP A 65 0.013 3.845 -1.219 1.00 0.00 C ATOM 995 CD2 TRP A 65 2.197 4.054 -1.663 1.00 0.00 C ATOM 996 NE1 TRP A 65 0.704 3.119 -0.280 1.00 0.00 N ATOM 997 CE2 TRP A 65 2.047 3.234 -0.530 1.00 0.00 C ATOM 998 CE3 TRP A 65 3.486 4.327 -2.130 1.00 0.00 C ATOM 999 CZ2 TRP A 65 3.136 2.685 0.142 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 4.565 3.783 -1.462 1.00 0.00 C ATOM 1001 CH2 TRP A 65 4.384 2.969 -0.336 1.00 0.00 C ATOM 0 H TRP A 65 -0.578 6.058 -5.331 1.00 0.00 H new ATOM 0 HA TRP A 65 1.825 4.699 -4.877 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.126 6.216 -3.220 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.512 5.594 -3.191 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -1.062 3.936 -1.263 1.00 0.00 H new ATOM 0 HE1 TRP A 65 0.286 2.582 0.480 1.00 0.00 H new ATOM 0 HE3 TRP A 65 3.635 4.952 -2.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 2.999 2.057 1.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 5.565 3.988 -1.813 1.00 0.00 H new ATOM 0 HH2 TRP A 65 5.248 2.558 0.164 1.00 0.00 H new ATOM 1012 N LEU A 66 -0.882 2.862 -4.387 1.00 0.00 N ATOM 1013 CA LEU A 66 -1.355 1.491 -4.278 1.00 0.00 C ATOM 1014 C LEU A 66 -1.239 0.765 -5.613 1.00 0.00 C ATOM 1015 O LEU A 66 -0.768 -0.370 -5.670 1.00 0.00 O ATOM 1016 CB LEU A 66 -2.799 1.469 -3.776 1.00 0.00 C ATOM 1017 CG LEU A 66 -3.072 0.502 -2.622 1.00 0.00 C ATOM 1018 CD1 LEU A 66 -4.554 0.480 -2.286 1.00 0.00 C ATOM 1019 CD2 LEU A 66 -2.579 -0.895 -2.968 1.00 0.00 C ATOM 0 H LEU A 66 -1.617 3.568 -4.348 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.726 0.968 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.072 2.475 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.453 1.210 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.527 0.849 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.730 -0.213 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.876 1.480 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.120 0.157 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.782 -1.569 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.095 -1.253 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.506 -0.866 -3.158 1.00 0.00 H new ATOM 1031 N ASP A 67 -1.653 1.427 -6.691 1.00 0.00 N ATOM 1032 CA ASP A 67 -1.565 0.830 -8.019 1.00 0.00 C ATOM 1033 C ASP A 67 -0.151 0.314 -8.255 1.00 0.00 C ATOM 1034 O ASP A 67 0.054 -0.703 -8.917 1.00 0.00 O ATOM 1035 CB ASP A 67 -1.946 1.851 -9.094 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.946 1.294 -10.090 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -4.099 1.030 -9.688 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -2.576 1.123 -11.270 1.00 0.00 O ATOM 0 H ASP A 67 -2.049 2.367 -6.671 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.265 -0.004 -8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.366 2.737 -8.618 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.048 2.169 -9.624 1.00 0.00 H new ATOM 1043 N GLU A 68 0.819 1.018 -7.680 1.00 0.00 N ATOM 1044 CA GLU A 68 2.216 0.633 -7.790 1.00 0.00 C ATOM 1045 C GLU A 68 2.451 -0.670 -7.037 1.00 0.00 C ATOM 1046 O GLU A 68 3.216 -1.530 -7.475 1.00 0.00 O ATOM 1047 CB GLU A 68 3.110 1.735 -7.216 1.00 0.00 C ATOM 1048 CG GLU A 68 4.275 2.107 -8.117 1.00 0.00 C ATOM 1049 CD GLU A 68 5.225 0.948 -8.353 1.00 0.00 C ATOM 1050 OE1 GLU A 68 5.734 0.387 -7.359 1.00 0.00 O ATOM 1051 OE2 GLU A 68 5.458 0.601 -9.529 1.00 0.00 O ATOM 0 H GLU A 68 0.659 1.862 -7.131 1.00 0.00 H new ATOM 0 HA GLU A 68 2.464 0.489 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.505 2.623 -7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.498 1.410 -6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.891 2.458 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.824 2.936 -7.671 1.00 0.00 H new ATOM 1058 N LEU A 69 1.773 -0.804 -5.902 1.00 0.00 N ATOM 1059 CA LEU A 69 1.883 -1.996 -5.073 1.00 0.00 C ATOM 1060 C LEU A 69 1.225 -3.188 -5.759 1.00 0.00 C ATOM 1061 O LEU A 69 1.647 -4.331 -5.586 1.00 0.00 O ATOM 1062 CB LEU A 69 1.235 -1.754 -3.707 1.00 0.00 C ATOM 1063 CG LEU A 69 2.024 -2.296 -2.514 1.00 0.00 C ATOM 1064 CD1 LEU A 69 1.470 -1.741 -1.211 1.00 0.00 C ATOM 1065 CD2 LEU A 69 1.995 -3.817 -2.504 1.00 0.00 C ATOM 0 H LEU A 69 1.138 -0.096 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 69 2.940 -2.217 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.094 -0.682 -3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.244 -2.209 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 69 3.060 -1.973 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.044 -2.138 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.543 -0.653 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.425 -2.034 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.561 -4.186 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.963 -4.161 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.440 -4.195 -3.424 1.00 0.00 H new ATOM 1077 N LEU A 70 0.179 -2.910 -6.530 1.00 0.00 N ATOM 1078 CA LEU A 70 -0.556 -3.950 -7.240 1.00 0.00 C ATOM 1079 C LEU A 70 0.354 -4.740 -8.180 1.00 0.00 C ATOM 1080 O LEU A 70 0.363 -5.971 -8.158 1.00 0.00 O ATOM 1081 CB LEU A 70 -1.710 -3.330 -8.032 1.00 0.00 C ATOM 1082 CG LEU A 70 -3.055 -4.042 -7.877 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -2.943 -5.495 -8.311 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -3.542 -3.947 -6.440 1.00 0.00 C ATOM 0 H LEU A 70 -0.180 -1.967 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.954 -4.642 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.827 -2.292 -7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.441 -3.319 -9.088 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.784 -3.549 -8.521 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.909 -5.985 -8.194 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.638 -5.540 -9.356 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.201 -6.003 -7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.500 -4.458 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.814 -4.415 -5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.661 -2.899 -6.165 1.00 0.00 H new ATOM 1096 N PHE A 71 1.103 -4.028 -9.015 1.00 0.00 N ATOM 1097 CA PHE A 71 1.999 -4.665 -9.975 1.00 0.00 C ATOM 1098 C PHE A 71 3.207 -5.302 -9.290 1.00 0.00 C ATOM 1099 O PHE A 71 3.509 -6.474 -9.514 1.00 0.00 O ATOM 1100 CB PHE A 71 2.473 -3.644 -11.012 1.00 0.00 C ATOM 1101 CG PHE A 71 2.559 -4.198 -12.405 1.00 0.00 C ATOM 1102 CD1 PHE A 71 3.364 -5.291 -12.682 1.00 0.00 C ATOM 1103 CD2 PHE A 71 1.835 -3.625 -13.438 1.00 0.00 C ATOM 1104 CE1 PHE A 71 3.445 -5.803 -13.963 1.00 0.00 C ATOM 1105 CE2 PHE A 71 1.912 -4.132 -14.721 1.00 0.00 C ATOM 1106 CZ PHE A 71 2.718 -5.222 -14.984 1.00 0.00 C ATOM 0 H PHE A 71 1.108 -3.009 -9.047 1.00 0.00 H new ATOM 0 HA PHE A 71 1.437 -5.458 -10.470 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.792 -2.793 -11.010 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.453 -3.268 -10.718 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.935 -5.748 -11.887 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.203 -2.772 -13.238 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.076 -6.656 -14.166 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.342 -3.676 -15.517 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.780 -5.620 -15.986 1.00 0.00 H new ATOM 1116 N ILE A 72 3.900 -4.524 -8.466 1.00 0.00 N ATOM 1117 CA ILE A 72 5.082 -5.015 -7.762 1.00 0.00 C ATOM 1118 C ILE A 72 4.784 -6.290 -6.976 1.00 0.00 C ATOM 1119 O ILE A 72 5.641 -7.165 -6.852 1.00 0.00 O ATOM 1120 CB ILE A 72 5.658 -3.950 -6.806 1.00 0.00 C ATOM 1121 CG1 ILE A 72 7.019 -4.398 -6.266 1.00 0.00 C ATOM 1122 CG2 ILE A 72 4.690 -3.678 -5.665 1.00 0.00 C ATOM 1123 CD1 ILE A 72 8.173 -3.555 -6.765 1.00 0.00 C ATOM 0 H ILE A 72 3.665 -3.551 -8.268 1.00 0.00 H new ATOM 0 HA ILE A 72 5.823 -5.240 -8.529 1.00 0.00 H new ATOM 0 HB ILE A 72 5.797 -3.023 -7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.998 -4.363 -5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.189 -5.437 -6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.113 -2.924 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.744 -3.316 -6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.518 -4.598 -5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.106 -3.929 -6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.220 -3.609 -7.853 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.026 -2.519 -6.459 1.00 0.00 H new ATOM 1135 N HIS A 73 3.571 -6.388 -6.438 1.00 0.00 N ATOM 1136 CA HIS A 73 3.175 -7.556 -5.655 1.00 0.00 C ATOM 1137 C HIS A 73 3.482 -8.850 -6.404 1.00 0.00 C ATOM 1138 O HIS A 73 4.146 -9.738 -5.874 1.00 0.00 O ATOM 1139 CB HIS A 73 1.685 -7.491 -5.311 1.00 0.00 C ATOM 1140 CG HIS A 73 1.401 -7.720 -3.859 1.00 0.00 C ATOM 1141 ND1 HIS A 73 2.156 -8.288 -2.888 1.00 0.00 N flip ATOM 1142 CD2 HIS A 73 0.219 -7.347 -3.253 1.00 0.00 C flip ATOM 1143 CE1 HIS A 73 1.424 -8.247 -1.727 1.00 0.00 C flip ATOM 1144 NE2 HIS A 73 0.261 -7.674 -1.974 1.00 0.00 N flip ATOM 0 H HIS A 73 2.847 -5.675 -6.529 1.00 0.00 H new ATOM 0 HA HIS A 73 3.753 -7.549 -4.731 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.295 -6.515 -5.601 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.150 -8.236 -5.900 1.00 0.00 H new ATOM 0 HD1 HIS A 73 3.094 -8.674 -2.999 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.611 -6.863 -3.747 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.747 -8.623 -0.767 1.00 0.00 H new ATOM 1153 N ASP A 74 3.007 -8.947 -7.640 1.00 0.00 N ATOM 1154 CA ASP A 74 3.251 -10.133 -8.453 1.00 0.00 C ATOM 1155 C ASP A 74 4.693 -10.163 -8.921 1.00 0.00 C ATOM 1156 O ASP A 74 5.272 -11.233 -9.109 1.00 0.00 O ATOM 1157 CB ASP A 74 2.298 -10.181 -9.648 1.00 0.00 C ATOM 1158 CG ASP A 74 1.820 -11.588 -9.948 1.00 0.00 C ATOM 1159 OD1 ASP A 74 1.147 -12.184 -9.081 1.00 0.00 O ATOM 1160 OD2 ASP A 74 2.119 -12.096 -11.050 1.00 0.00 O ATOM 0 H ASP A 74 2.454 -8.224 -8.099 1.00 0.00 H new ATOM 0 HA ASP A 74 3.066 -11.013 -7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.437 -9.542 -9.449 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.800 -9.775 -10.526 1.00 0.00 H new ATOM 1165 N THR A 75 5.284 -8.986 -9.083 1.00 0.00 N ATOM 1166 CA THR A 75 6.673 -8.903 -9.496 1.00 0.00 C ATOM 1167 C THR A 75 7.556 -9.525 -8.424 1.00 0.00 C ATOM 1168 O THR A 75 8.707 -9.884 -8.677 1.00 0.00 O ATOM 1169 CB THR A 75 7.078 -7.449 -9.743 1.00 0.00 C ATOM 1170 OG1 THR A 75 6.155 -6.811 -10.607 1.00 0.00 O ATOM 1171 CG2 THR A 75 8.454 -7.309 -10.356 1.00 0.00 C ATOM 0 H THR A 75 4.826 -8.086 -8.936 1.00 0.00 H new ATOM 0 HA THR A 75 6.799 -9.450 -10.430 1.00 0.00 H new ATOM 0 HB THR A 75 7.086 -6.979 -8.759 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.326 -6.624 -10.119 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.680 -6.253 -10.505 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.196 -7.748 -9.689 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.479 -7.825 -11.316 1.00 0.00 H new ATOM 1179 N GLU A 76 6.995 -9.672 -7.223 1.00 0.00 N ATOM 1180 CA GLU A 76 7.712 -10.274 -6.116 1.00 0.00 C ATOM 1181 C GLU A 76 6.775 -10.575 -4.957 1.00 0.00 C ATOM 1182 O GLU A 76 6.898 -10.004 -3.873 1.00 0.00 O ATOM 1183 CB GLU A 76 8.862 -9.374 -5.660 1.00 0.00 C ATOM 1184 CG GLU A 76 10.210 -9.774 -6.238 1.00 0.00 C ATOM 1185 CD GLU A 76 10.949 -8.607 -6.864 1.00 0.00 C ATOM 1186 OE1 GLU A 76 10.277 -7.669 -7.344 1.00 0.00 O ATOM 1187 OE2 GLU A 76 12.197 -8.632 -6.875 1.00 0.00 O ATOM 0 H GLU A 76 6.044 -9.379 -6.999 1.00 0.00 H new ATOM 0 HA GLU A 76 8.133 -11.218 -6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.643 -8.345 -5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.921 -9.396 -4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.825 -10.207 -5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.063 -10.550 -6.989 1.00 0.00 H new ATOM 1194 N PHE A 77 5.844 -11.492 -5.196 1.00 0.00 N ATOM 1195 CA PHE A 77 4.890 -11.893 -4.170 1.00 0.00 C ATOM 1196 C PHE A 77 5.628 -12.355 -2.925 1.00 0.00 C ATOM 1197 O PHE A 77 6.032 -13.510 -2.828 1.00 0.00 O ATOM 1198 CB PHE A 77 3.982 -13.010 -4.691 1.00 0.00 C ATOM 1199 CG PHE A 77 2.518 -12.689 -4.585 1.00 0.00 C ATOM 1200 CD1 PHE A 77 1.965 -12.305 -3.374 1.00 0.00 C ATOM 1201 CD2 PHE A 77 1.695 -12.772 -5.698 1.00 0.00 C ATOM 1202 CE1 PHE A 77 0.618 -12.011 -3.273 1.00 0.00 C ATOM 1203 CE2 PHE A 77 0.349 -12.478 -5.603 1.00 0.00 C ATOM 1204 CZ PHE A 77 -0.191 -12.096 -4.390 1.00 0.00 C ATOM 0 H PHE A 77 5.730 -11.971 -6.090 1.00 0.00 H new ATOM 0 HA PHE A 77 4.270 -11.034 -3.915 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.228 -13.211 -5.734 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.187 -13.924 -4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.594 -12.235 -2.499 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.111 -13.070 -6.649 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.199 -11.715 -2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.282 -12.547 -6.477 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.243 -11.864 -4.315 1.00 0.00 H new ATOM 1214 N ILE A 78 5.815 -11.438 -1.985 1.00 0.00 N ATOM 1215 CA ILE A 78 6.529 -11.745 -0.752 1.00 0.00 C ATOM 1216 C ILE A 78 5.598 -11.721 0.459 1.00 0.00 C ATOM 1217 O ILE A 78 4.663 -10.924 0.527 1.00 0.00 O ATOM 1218 CB ILE A 78 7.689 -10.752 -0.529 1.00 0.00 C ATOM 1219 CG1 ILE A 78 7.147 -9.356 -0.198 1.00 0.00 C ATOM 1220 CG2 ILE A 78 8.581 -10.701 -1.763 1.00 0.00 C ATOM 1221 CD1 ILE A 78 8.222 -8.295 -0.093 1.00 0.00 C ATOM 0 H ILE A 78 5.483 -10.476 -2.052 1.00 0.00 H new ATOM 0 HA ILE A 78 6.932 -12.752 -0.858 1.00 0.00 H new ATOM 0 HB ILE A 78 8.284 -11.096 0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.432 -9.062 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.601 -9.402 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.396 -9.997 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.992 -11.692 -1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.994 -10.377 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.764 -7.335 0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.924 -8.565 0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.753 -8.220 -1.042 1.00 0.00 H new ATOM 1233 N LEU A 79 5.861 -12.621 1.402 1.00 0.00 N ATOM 1234 CA LEU A 79 5.055 -12.741 2.611 1.00 0.00 C ATOM 1235 C LEU A 79 5.105 -11.475 3.464 1.00 0.00 C ATOM 1236 O LEU A 79 4.078 -11.011 3.959 1.00 0.00 O ATOM 1237 CB LEU A 79 5.531 -13.939 3.439 1.00 0.00 C ATOM 1238 CG LEU A 79 4.607 -15.159 3.408 1.00 0.00 C ATOM 1239 CD1 LEU A 79 5.414 -16.441 3.251 1.00 0.00 C ATOM 1240 CD2 LEU A 79 3.756 -15.212 4.669 1.00 0.00 C ATOM 0 H LEU A 79 6.635 -13.284 1.350 1.00 0.00 H new ATOM 0 HA LEU A 79 4.021 -12.890 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.516 -14.240 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.651 -13.620 4.474 1.00 0.00 H new ATOM 0 HG LEU A 79 3.944 -15.067 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.738 -17.296 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.979 -16.403 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.103 -16.542 4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.104 -16.085 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.404 -15.280 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.149 -14.309 4.737 1.00 0.00 H new ATOM 1252 N PHE A 80 6.303 -10.929 3.651 1.00 0.00 N ATOM 1253 CA PHE A 80 6.468 -9.731 4.468 1.00 0.00 C ATOM 1254 C PHE A 80 7.059 -8.580 3.666 1.00 0.00 C ATOM 1255 O PHE A 80 7.907 -8.779 2.796 1.00 0.00 O ATOM 1256 CB PHE A 80 7.358 -10.045 5.682 1.00 0.00 C ATOM 1257 CG PHE A 80 8.120 -8.862 6.224 1.00 0.00 C ATOM 1258 CD1 PHE A 80 9.255 -8.401 5.576 1.00 0.00 C ATOM 1259 CD2 PHE A 80 7.704 -8.216 7.377 1.00 0.00 C ATOM 1260 CE1 PHE A 80 9.960 -7.318 6.067 1.00 0.00 C ATOM 1261 CE2 PHE A 80 8.404 -7.132 7.873 1.00 0.00 C ATOM 1262 CZ PHE A 80 9.533 -6.683 7.217 1.00 0.00 C ATOM 0 H PHE A 80 7.168 -11.294 3.251 1.00 0.00 H new ATOM 0 HA PHE A 80 5.481 -9.420 4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.735 -10.454 6.477 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.070 -10.822 5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.593 -8.894 4.676 1.00 0.00 H new ATOM 0 HD2 PHE A 80 6.822 -8.564 7.895 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.843 -6.969 5.552 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.068 -6.637 8.772 1.00 0.00 H new ATOM 0 HZ PHE A 80 10.082 -5.836 7.603 1.00 0.00 H new ATOM 1272 N SER A 81 6.613 -7.369 3.985 1.00 0.00 N ATOM 1273 CA SER A 81 7.102 -6.174 3.316 1.00 0.00 C ATOM 1274 C SER A 81 6.959 -4.949 4.216 1.00 0.00 C ATOM 1275 O SER A 81 5.889 -4.697 4.770 1.00 0.00 O ATOM 1276 CB SER A 81 6.349 -5.952 2.004 1.00 0.00 C ATOM 1277 OG SER A 81 6.984 -4.966 1.210 1.00 0.00 O ATOM 0 H SER A 81 5.912 -7.192 4.705 1.00 0.00 H new ATOM 0 HA SER A 81 8.160 -6.318 3.096 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.294 -6.889 1.450 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.324 -5.647 2.217 1.00 0.00 H new ATOM 0 HG SER A 81 6.483 -4.845 0.376 1.00 0.00 H new ATOM 1283 N LYS A 82 8.038 -4.183 4.344 1.00 0.00 N ATOM 1284 CA LYS A 82 8.027 -2.975 5.162 1.00 0.00 C ATOM 1285 C LYS A 82 7.639 -1.776 4.309 1.00 0.00 C ATOM 1286 O LYS A 82 7.891 -1.761 3.106 1.00 0.00 O ATOM 1287 CB LYS A 82 9.396 -2.740 5.802 1.00 0.00 C ATOM 1288 CG LYS A 82 9.344 -1.875 7.052 1.00 0.00 C ATOM 1289 CD LYS A 82 8.718 -2.617 8.223 1.00 0.00 C ATOM 1290 CE LYS A 82 7.551 -1.844 8.817 1.00 0.00 C ATOM 1291 NZ LYS A 82 8.008 -0.664 9.603 1.00 0.00 N ATOM 0 H LYS A 82 8.931 -4.377 3.892 1.00 0.00 H new ATOM 0 HA LYS A 82 7.293 -3.104 5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.839 -3.703 6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.053 -2.269 5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.353 -1.559 7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.771 -0.971 6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.375 -3.597 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.472 -2.786 8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.890 -1.513 8.016 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.968 -2.504 9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.182 -0.164 9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.618 -0.982 10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.543 -0.021 8.985 1.00 0.00 H new ATOM 1305 N PHE A 83 7.013 -0.778 4.920 1.00 0.00 N ATOM 1306 CA PHE A 83 6.591 0.400 4.175 1.00 0.00 C ATOM 1307 C PHE A 83 7.159 1.686 4.754 1.00 0.00 C ATOM 1308 O PHE A 83 6.925 2.033 5.909 1.00 0.00 O ATOM 1309 CB PHE A 83 5.064 0.480 4.136 1.00 0.00 C ATOM 1310 CG PHE A 83 4.413 -0.750 3.570 1.00 0.00 C ATOM 1311 CD1 PHE A 83 4.821 -1.265 2.350 1.00 0.00 C ATOM 1312 CD2 PHE A 83 3.396 -1.391 4.258 1.00 0.00 C ATOM 1313 CE1 PHE A 83 4.225 -2.397 1.826 1.00 0.00 C ATOM 1314 CE2 PHE A 83 2.796 -2.523 3.740 1.00 0.00 C ATOM 1315 CZ PHE A 83 3.211 -3.026 2.522 1.00 0.00 C ATOM 0 H PHE A 83 6.789 -0.760 5.915 1.00 0.00 H new ATOM 0 HA PHE A 83 6.982 0.296 3.163 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.691 0.646 5.147 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.769 1.344 3.541 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.613 -0.777 1.802 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.068 -1.002 5.210 1.00 0.00 H new ATOM 0 HE1 PHE A 83 4.552 -2.789 0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.004 -3.014 4.286 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.743 -3.910 2.114 1.00 0.00 H new ATOM 1325 N LYS A 84 7.875 2.402 3.902 1.00 0.00 N ATOM 1326 CA LYS A 84 8.459 3.684 4.251 1.00 0.00 C ATOM 1327 C LYS A 84 8.130 4.653 3.126 1.00 0.00 C ATOM 1328 O LYS A 84 8.554 4.449 1.991 1.00 0.00 O ATOM 1329 CB LYS A 84 9.976 3.551 4.458 1.00 0.00 C ATOM 1330 CG LYS A 84 10.815 4.406 3.520 1.00 0.00 C ATOM 1331 CD LYS A 84 12.293 4.332 3.867 1.00 0.00 C ATOM 1332 CE LYS A 84 12.693 5.435 4.834 1.00 0.00 C ATOM 1333 NZ LYS A 84 12.269 5.132 6.229 1.00 0.00 N ATOM 0 H LYS A 84 8.067 2.107 2.945 1.00 0.00 H new ATOM 0 HA LYS A 84 8.049 4.054 5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.215 3.820 5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.258 2.506 4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.665 4.075 2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.480 5.442 3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.516 3.361 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.886 4.412 2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.774 5.569 4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.246 6.377 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.906 5.611 6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.296 5.468 6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.308 4.105 6.389 1.00 0.00 H new ATOM 1347 N VAL A 85 7.345 5.680 3.415 1.00 0.00 N ATOM 1348 CA VAL A 85 6.949 6.623 2.376 1.00 0.00 C ATOM 1349 C VAL A 85 7.588 7.990 2.549 1.00 0.00 C ATOM 1350 O VAL A 85 7.874 8.440 3.659 1.00 0.00 O ATOM 1351 CB VAL A 85 5.411 6.767 2.272 1.00 0.00 C ATOM 1352 CG1 VAL A 85 4.702 5.856 3.258 1.00 0.00 C ATOM 1353 CG2 VAL A 85 4.976 8.205 2.479 1.00 0.00 C ATOM 0 H VAL A 85 6.974 5.881 4.344 1.00 0.00 H new ATOM 0 HA VAL A 85 7.319 6.198 1.443 1.00 0.00 H new ATOM 0 HB VAL A 85 5.128 6.465 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.624 5.982 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.967 4.819 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.005 6.112 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.891 8.272 2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.289 8.541 3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.435 8.837 1.719 1.00 0.00 H new ATOM 1363 N LYS A 86 7.811 8.627 1.412 1.00 0.00 N ATOM 1364 CA LYS A 86 8.422 9.937 1.343 1.00 0.00 C ATOM 1365 C LYS A 86 7.592 10.863 0.460 1.00 0.00 C ATOM 1366 O LYS A 86 7.111 10.446 -0.588 1.00 0.00 O ATOM 1367 CB LYS A 86 9.827 9.792 0.756 1.00 0.00 C ATOM 1368 CG LYS A 86 10.846 10.745 1.358 1.00 0.00 C ATOM 1369 CD LYS A 86 11.413 10.203 2.660 1.00 0.00 C ATOM 1370 CE LYS A 86 12.780 10.795 2.962 1.00 0.00 C ATOM 1371 NZ LYS A 86 13.818 10.310 2.011 1.00 0.00 N ATOM 0 H LYS A 86 7.568 8.240 0.500 1.00 0.00 H new ATOM 0 HA LYS A 86 8.474 10.367 2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.169 8.768 0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.780 9.958 -0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.656 10.910 0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.379 11.713 1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.729 10.429 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.491 9.117 2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.723 11.882 2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.071 10.536 3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.759 10.415 2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.647 9.308 1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.774 10.868 1.134 1.00 0.00 H new ATOM 1385 N ILE A 87 7.438 12.118 0.857 1.00 0.00 N ATOM 1386 CA ILE A 87 6.684 13.066 0.043 1.00 0.00 C ATOM 1387 C ILE A 87 7.541 14.284 -0.281 1.00 0.00 C ATOM 1388 O ILE A 87 8.071 14.941 0.615 1.00 0.00 O ATOM 1389 CB ILE A 87 5.371 13.516 0.719 1.00 0.00 C ATOM 1390 CG1 ILE A 87 4.429 12.326 0.916 1.00 0.00 C ATOM 1391 CG2 ILE A 87 4.691 14.579 -0.128 1.00 0.00 C ATOM 1392 CD1 ILE A 87 3.236 12.638 1.801 1.00 0.00 C ATOM 0 H ILE A 87 7.817 12.501 1.723 1.00 0.00 H new ATOM 0 HA ILE A 87 6.415 12.548 -0.877 1.00 0.00 H new ATOM 0 HB ILE A 87 5.611 13.933 1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.071 11.991 -0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.988 11.498 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.765 14.892 0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.353 15.438 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.466 14.170 -1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.612 11.750 1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.585 12.944 2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.654 13.444 1.356 1.00 0.00 H new ATOM 1404 N ASP A 88 7.685 14.567 -1.571 1.00 0.00 N ATOM 1405 CA ASP A 88 8.491 15.691 -2.024 1.00 0.00 C ATOM 1406 C ASP A 88 7.763 16.512 -3.082 1.00 0.00 C ATOM 1407 O ASP A 88 7.389 15.994 -4.132 1.00 0.00 O ATOM 1408 CB ASP A 88 9.808 15.179 -2.604 1.00 0.00 C ATOM 1409 CG ASP A 88 10.830 16.283 -2.788 1.00 0.00 C ATOM 1410 OD1 ASP A 88 10.968 17.123 -1.872 1.00 0.00 O ATOM 1411 OD2 ASP A 88 11.491 16.311 -3.847 1.00 0.00 O ATOM 0 H ASP A 88 7.252 14.030 -2.323 1.00 0.00 H new ATOM 0 HA ASP A 88 8.682 16.333 -1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.219 14.414 -1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.617 14.702 -3.565 1.00 0.00 H new ATOM 1416 N GLU A 89 7.591 17.801 -2.812 1.00 0.00 N ATOM 1417 CA GLU A 89 6.936 18.693 -3.762 1.00 0.00 C ATOM 1418 C GLU A 89 7.981 19.449 -4.557 1.00 0.00 C ATOM 1419 O GLU A 89 8.736 20.258 -4.018 1.00 0.00 O ATOM 1420 CB GLU A 89 6.007 19.669 -3.035 1.00 0.00 C ATOM 1421 CG GLU A 89 4.557 19.216 -3.000 1.00 0.00 C ATOM 1422 CD GLU A 89 3.631 20.269 -2.426 1.00 0.00 C ATOM 1423 OE1 GLU A 89 3.876 20.718 -1.286 1.00 0.00 O ATOM 1424 OE2 GLU A 89 2.661 20.646 -3.116 1.00 0.00 O ATOM 0 H GLU A 89 7.894 18.250 -1.948 1.00 0.00 H new ATOM 0 HA GLU A 89 6.331 18.097 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.362 19.803 -2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.063 20.642 -3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.234 18.965 -4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.479 18.306 -2.405 1.00 0.00 H new ATOM 1431 N LYS A 90 8.016 19.162 -5.845 1.00 0.00 N ATOM 1432 CA LYS A 90 8.970 19.792 -6.747 1.00 0.00 C ATOM 1433 C LYS A 90 8.242 20.538 -7.852 1.00 0.00 C ATOM 1434 O LYS A 90 7.024 20.716 -7.797 1.00 0.00 O ATOM 1435 CB LYS A 90 9.922 18.751 -7.355 1.00 0.00 C ATOM 1436 CG LYS A 90 9.640 17.319 -6.922 1.00 0.00 C ATOM 1437 CD LYS A 90 8.392 16.771 -7.596 1.00 0.00 C ATOM 1438 CE LYS A 90 8.741 15.782 -8.697 1.00 0.00 C ATOM 1439 NZ LYS A 90 9.844 16.280 -9.562 1.00 0.00 N ATOM 0 H LYS A 90 7.392 18.493 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 90 9.561 20.503 -6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.860 18.809 -8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.945 19.007 -7.080 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.494 16.688 -7.167 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.517 17.282 -5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.761 16.282 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.813 17.594 -8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.031 14.830 -8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.858 15.592 -9.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.862 15.737 -10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.691 17.286 -9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.752 16.165 -9.068 1.00 0.00 H new ATOM 1453 N ASP A 91 8.990 20.971 -8.857 1.00 0.00 N ATOM 1454 CA ASP A 91 8.414 21.695 -9.981 1.00 0.00 C ATOM 1455 C ASP A 91 7.439 20.824 -10.778 1.00 0.00 C ATOM 1456 O ASP A 91 6.980 21.226 -11.848 1.00 0.00 O ATOM 1457 CB ASP A 91 9.526 22.201 -10.900 1.00 0.00 C ATOM 1458 CG ASP A 91 9.443 23.695 -11.142 1.00 0.00 C ATOM 1459 OD1 ASP A 91 9.595 24.463 -10.168 1.00 0.00 O ATOM 1460 OD2 ASP A 91 9.227 24.099 -12.304 1.00 0.00 O ATOM 0 H ASP A 91 9.999 20.833 -8.917 1.00 0.00 H new ATOM 0 HA ASP A 91 7.855 22.540 -9.579 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.494 21.960 -10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 91 9.471 21.678 -11.855 1.00 0.00 H new ATOM 1465 N ASP A 92 7.115 19.641 -10.258 1.00 0.00 N ATOM 1466 CA ASP A 92 6.187 18.745 -10.934 1.00 0.00 C ATOM 1467 C ASP A 92 5.002 18.455 -10.026 1.00 0.00 C ATOM 1468 O ASP A 92 4.523 17.324 -9.947 1.00 0.00 O ATOM 1469 CB ASP A 92 6.891 17.443 -11.326 1.00 0.00 C ATOM 1470 CG ASP A 92 6.724 17.115 -12.796 1.00 0.00 C ATOM 1471 OD1 ASP A 92 5.581 17.187 -13.295 1.00 0.00 O ATOM 1472 OD2 ASP A 92 7.737 16.788 -13.451 1.00 0.00 O ATOM 0 H ASP A 92 7.481 19.285 -9.375 1.00 0.00 H new ATOM 0 HA ASP A 92 5.828 19.226 -11.844 1.00 0.00 H new ATOM 0 HB2 ASP A 92 7.953 17.523 -11.093 1.00 0.00 H new ATOM 0 HB3 ASP A 92 6.494 16.624 -10.727 1.00 0.00 H new ATOM 1477 N GLY A 93 4.552 19.488 -9.324 1.00 0.00 N ATOM 1478 CA GLY A 93 3.444 19.332 -8.408 1.00 0.00 C ATOM 1479 C GLY A 93 3.890 18.692 -7.114 1.00 0.00 C ATOM 1480 O GLY A 93 4.518 19.339 -6.276 1.00 0.00 O ATOM 0 H GLY A 93 4.937 20.431 -9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.000 20.306 -8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.669 18.721 -8.871 1.00 0.00 H new ATOM 1484 N LEU A 94 3.575 17.416 -6.956 1.00 0.00 N ATOM 1485 CA LEU A 94 3.957 16.681 -5.762 1.00 0.00 C ATOM 1486 C LEU A 94 4.489 15.293 -6.133 1.00 0.00 C ATOM 1487 O LEU A 94 3.974 14.649 -7.042 1.00 0.00 O ATOM 1488 CB LEU A 94 2.760 16.587 -4.805 1.00 0.00 C ATOM 1489 CG LEU A 94 2.220 15.180 -4.565 1.00 0.00 C ATOM 1490 CD1 LEU A 94 3.165 14.407 -3.662 1.00 0.00 C ATOM 1491 CD2 LEU A 94 0.824 15.239 -3.966 1.00 0.00 C ATOM 0 H LEU A 94 3.055 16.868 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 94 4.760 17.214 -5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.050 17.015 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.953 17.205 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 94 2.153 14.661 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.771 13.404 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.145 14.339 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.258 14.923 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.455 14.226 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.858 15.771 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.156 15.762 -4.651 1.00 0.00 H new ATOM 1503 N HIS A 95 5.524 14.844 -5.431 1.00 0.00 N ATOM 1504 CA HIS A 95 6.124 13.534 -5.689 1.00 0.00 C ATOM 1505 C HIS A 95 6.217 12.709 -4.407 1.00 0.00 C ATOM 1506 O HIS A 95 6.474 13.248 -3.335 1.00 0.00 O ATOM 1507 CB HIS A 95 7.515 13.710 -6.301 1.00 0.00 C ATOM 1508 CG HIS A 95 8.205 12.418 -6.617 1.00 0.00 C ATOM 1509 ND1 HIS A 95 8.545 11.377 -5.821 1.00 0.00 N flip ATOM 1510 CD2 HIS A 95 8.634 12.086 -7.884 1.00 0.00 C flip ATOM 1511 CE1 HIS A 95 9.168 10.446 -6.614 1.00 0.00 C flip ATOM 1512 NE2 HIS A 95 9.209 10.897 -7.855 1.00 0.00 N flip ATOM 0 H HIS A 95 5.968 15.367 -4.676 1.00 0.00 H new ATOM 0 HA HIS A 95 5.485 12.998 -6.391 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.428 14.297 -7.215 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.135 14.283 -5.612 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.518 12.702 -8.764 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.561 9.498 -6.278 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.615 10.410 -8.654 1.00 0.00 H new ATOM 1521 N LEU A 96 6.017 11.399 -4.523 1.00 0.00 N ATOM 1522 CA LEU A 96 6.094 10.513 -3.365 1.00 0.00 C ATOM 1523 C LEU A 96 7.157 9.437 -3.573 1.00 0.00 C ATOM 1524 O LEU A 96 7.274 8.866 -4.656 1.00 0.00 O ATOM 1525 CB LEU A 96 4.740 9.853 -3.087 1.00 0.00 C ATOM 1526 CG LEU A 96 4.708 8.949 -1.849 1.00 0.00 C ATOM 1527 CD1 LEU A 96 3.290 8.806 -1.320 1.00 0.00 C ATOM 1528 CD2 LEU A 96 5.300 7.582 -2.165 1.00 0.00 C ATOM 0 H LEU A 96 5.801 10.929 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 96 6.371 11.122 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.988 10.634 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.453 9.263 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 96 5.316 9.416 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.293 8.160 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.903 9.788 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.657 8.367 -2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.268 6.956 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.723 7.110 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.334 7.699 -2.488 1.00 0.00 H new ATOM 1540 N THR A 97 7.920 9.159 -2.523 1.00 0.00 N ATOM 1541 CA THR A 97 8.967 8.142 -2.577 1.00 0.00 C ATOM 1542 C THR A 97 8.756 7.103 -1.482 1.00 0.00 C ATOM 1543 O THR A 97 8.750 7.425 -0.300 1.00 0.00 O ATOM 1544 CB THR A 97 10.349 8.779 -2.434 1.00 0.00 C ATOM 1545 OG1 THR A 97 10.304 10.161 -2.742 1.00 0.00 O ATOM 1546 CG2 THR A 97 11.394 8.144 -3.324 1.00 0.00 C ATOM 0 H THR A 97 7.834 9.625 -1.620 1.00 0.00 H new ATOM 0 HA THR A 97 8.911 7.649 -3.547 1.00 0.00 H new ATOM 0 HB THR A 97 10.632 8.618 -1.394 1.00 0.00 H new ATOM 0 HG1 THR A 97 11.199 10.548 -2.642 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.352 8.643 -3.174 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.492 7.088 -3.074 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.093 8.243 -4.367 1.00 0.00 H new ATOM 1554 N GLY A 98 8.577 5.858 -1.886 1.00 0.00 N ATOM 1555 CA GLY A 98 8.349 4.786 -0.931 1.00 0.00 C ATOM 1556 C GLY A 98 9.385 3.678 -1.011 1.00 0.00 C ATOM 1557 O GLY A 98 9.925 3.395 -2.080 1.00 0.00 O ATOM 0 H GLY A 98 8.585 5.564 -2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.348 5.201 0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.360 4.362 -1.101 1.00 0.00 H new ATOM 1561 N THR A 99 9.664 3.054 0.133 1.00 0.00 N ATOM 1562 CA THR A 99 10.644 1.972 0.208 1.00 0.00 C ATOM 1563 C THR A 99 10.032 0.701 0.791 1.00 0.00 C ATOM 1564 O THR A 99 9.214 0.759 1.709 1.00 0.00 O ATOM 1565 CB THR A 99 11.828 2.395 1.075 1.00 0.00 C ATOM 1566 OG1 THR A 99 12.129 3.765 0.881 1.00 0.00 O ATOM 1567 CG2 THR A 99 13.088 1.604 0.797 1.00 0.00 C ATOM 0 H THR A 99 9.223 3.281 1.024 1.00 0.00 H new ATOM 0 HA THR A 99 10.979 1.763 -0.808 1.00 0.00 H new ATOM 0 HB THR A 99 11.516 2.201 2.101 1.00 0.00 H new ATOM 0 HG1 THR A 99 13.101 3.887 0.865 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.889 1.956 1.447 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.903 0.547 0.988 1.00 0.00 H new ATOM 0 HG23 THR A 99 13.380 1.739 -0.244 1.00 0.00 H new ATOM 1575 N ALA A 100 10.444 -0.451 0.263 1.00 0.00 N ATOM 1576 CA ALA A 100 9.945 -1.733 0.747 1.00 0.00 C ATOM 1577 C ALA A 100 11.087 -2.728 0.944 1.00 0.00 C ATOM 1578 O ALA A 100 11.941 -2.884 0.074 1.00 0.00 O ATOM 1579 CB ALA A 100 8.911 -2.296 -0.216 1.00 0.00 C ATOM 0 H ALA A 100 11.120 -0.521 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 100 9.471 -1.568 1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.548 -3.253 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.077 -1.600 -0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.366 -2.439 -1.196 1.00 0.00 H new ATOM 1585 N MET A 101 11.098 -3.400 2.093 1.00 0.00 N ATOM 1586 CA MET A 101 12.140 -4.379 2.398 1.00 0.00 C ATOM 1587 C MET A 101 11.534 -5.690 2.880 1.00 0.00 C ATOM 1588 O MET A 101 10.417 -5.713 3.397 1.00 0.00 O ATOM 1589 CB MET A 101 13.097 -3.824 3.459 1.00 0.00 C ATOM 1590 CG MET A 101 12.413 -3.445 4.761 1.00 0.00 C ATOM 1591 SD MET A 101 12.644 -1.710 5.193 1.00 0.00 S ATOM 1592 CE MET A 101 14.375 -1.703 5.651 1.00 0.00 C ATOM 0 H MET A 101 10.399 -3.285 2.827 1.00 0.00 H new ATOM 0 HA MET A 101 12.697 -4.574 1.482 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.866 -4.568 3.666 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.603 -2.947 3.056 1.00 0.00 H new ATOM 0 HG2 MET A 101 11.347 -3.656 4.680 1.00 0.00 H new ATOM 0 HG3 MET A 101 12.801 -4.070 5.565 1.00 0.00 H new ATOM 0 HE1 MET A 101 14.670 -0.695 5.944 1.00 0.00 H new ATOM 0 HE2 MET A 101 14.533 -2.385 6.487 1.00 0.00 H new ATOM 0 HE3 MET A 101 14.977 -2.024 4.801 1.00 0.00 H new ATOM 1602 N GLY A 102 12.272 -6.784 2.701 1.00 0.00 N ATOM 1603 CA GLY A 102 11.773 -8.076 3.121 1.00 0.00 C ATOM 1604 C GLY A 102 11.320 -8.913 1.947 1.00 0.00 C ATOM 1605 O GLY A 102 10.152 -9.290 1.856 1.00 0.00 O ATOM 0 H GLY A 102 13.199 -6.796 2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.553 -8.607 3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.941 -7.937 3.811 1.00 0.00 H new ATOM 1609 N GLU A 103 12.247 -9.199 1.042 1.00 0.00 N ATOM 1610 CA GLU A 103 11.937 -9.989 -0.137 1.00 0.00 C ATOM 1611 C GLU A 103 12.263 -11.461 0.094 1.00 0.00 C ATOM 1612 O GLU A 103 13.424 -11.825 0.280 1.00 0.00 O ATOM 1613 CB GLU A 103 12.711 -9.468 -1.344 1.00 0.00 C ATOM 1614 CG GLU A 103 12.247 -10.064 -2.659 1.00 0.00 C ATOM 1615 CD GLU A 103 12.368 -9.092 -3.817 1.00 0.00 C ATOM 1616 OE1 GLU A 103 11.625 -8.088 -3.829 1.00 0.00 O ATOM 1617 OE2 GLU A 103 13.204 -9.337 -4.711 1.00 0.00 O ATOM 0 H GLU A 103 13.219 -8.895 1.104 1.00 0.00 H new ATOM 0 HA GLU A 103 10.869 -9.898 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.612 -8.384 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.770 -9.685 -1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.834 -10.956 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.209 -10.381 -2.563 1.00 0.00 H new ATOM 1624 N GLU A 104 11.230 -12.304 0.075 1.00 0.00 N ATOM 1625 CA GLU A 104 11.396 -13.743 0.277 1.00 0.00 C ATOM 1626 C GLU A 104 10.041 -14.415 0.489 1.00 0.00 C ATOM 1627 O GLU A 104 9.497 -14.402 1.593 1.00 0.00 O ATOM 1628 CB GLU A 104 12.307 -14.026 1.481 1.00 0.00 C ATOM 1629 CG GLU A 104 12.375 -15.495 1.870 1.00 0.00 C ATOM 1630 CD GLU A 104 13.796 -15.981 2.081 1.00 0.00 C ATOM 1631 OE1 GLU A 104 14.632 -15.781 1.174 1.00 0.00 O ATOM 1632 OE2 GLU A 104 14.073 -16.560 3.152 1.00 0.00 O ATOM 0 H GLU A 104 10.265 -12.013 -0.079 1.00 0.00 H new ATOM 0 HA GLU A 104 11.862 -14.154 -0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.313 -13.673 1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.953 -13.450 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.803 -15.651 2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.902 -16.095 1.092 1.00 0.00 H new ATOM 1639 N ILE A 105 9.502 -15.005 -0.573 1.00 0.00 N ATOM 1640 CA ILE A 105 8.213 -15.682 -0.495 1.00 0.00 C ATOM 1641 C ILE A 105 8.387 -17.132 -0.050 1.00 0.00 C ATOM 1642 O ILE A 105 9.178 -17.878 -0.628 1.00 0.00 O ATOM 1643 CB ILE A 105 7.473 -15.646 -1.848 1.00 0.00 C ATOM 1644 CG1 ILE A 105 6.030 -16.126 -1.678 1.00 0.00 C ATOM 1645 CG2 ILE A 105 8.199 -16.493 -2.883 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.182 -15.205 -0.829 1.00 0.00 C ATOM 0 H ILE A 105 9.937 -15.028 -1.495 1.00 0.00 H new ATOM 0 HA ILE A 105 7.614 -15.148 0.243 1.00 0.00 H new ATOM 0 HB ILE A 105 7.457 -14.616 -2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.571 -16.226 -2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.037 -17.118 -1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 105 7.659 -16.453 -3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 105 9.209 -16.108 -3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 105 8.249 -17.526 -2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.172 -15.608 -0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 105 5.618 -15.124 0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.144 -14.218 -1.289 1.00 0.00 H new ATOM 1658 N LYS A 106 7.649 -17.524 0.984 1.00 0.00 N ATOM 1659 CA LYS A 106 7.730 -18.884 1.507 1.00 0.00 C ATOM 1660 C LYS A 106 6.679 -19.783 0.865 1.00 0.00 C ATOM 1661 O LYS A 106 5.659 -19.306 0.366 1.00 0.00 O ATOM 1662 CB LYS A 106 7.553 -18.878 3.026 1.00 0.00 C ATOM 1663 CG LYS A 106 8.437 -19.885 3.745 1.00 0.00 C ATOM 1664 CD LYS A 106 7.809 -20.343 5.052 1.00 0.00 C ATOM 1665 CE LYS A 106 8.159 -21.791 5.359 1.00 0.00 C ATOM 1666 NZ LYS A 106 7.772 -22.173 6.745 1.00 0.00 N ATOM 0 H LYS A 106 6.989 -16.921 1.476 1.00 0.00 H new ATOM 0 HA LYS A 106 8.715 -19.280 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.771 -17.880 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.510 -19.088 3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.608 -20.747 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 106 9.411 -19.439 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.152 -19.704 5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 106 6.726 -20.233 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.655 -22.445 4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.230 -21.942 5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.027 -23.167 6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 8.272 -21.566 7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.746 -22.054 6.864 1.00 0.00 H new ATOM 1680 N GLU A 107 6.934 -21.088 0.885 1.00 0.00 N ATOM 1681 CA GLU A 107 6.010 -22.058 0.307 1.00 0.00 C ATOM 1682 C GLU A 107 4.644 -21.969 0.979 1.00 0.00 C ATOM 1683 O GLU A 107 3.624 -21.787 0.315 1.00 0.00 O ATOM 1684 CB GLU A 107 6.572 -23.474 0.446 1.00 0.00 C ATOM 1685 CG GLU A 107 6.409 -24.321 -0.806 1.00 0.00 C ATOM 1686 CD GLU A 107 6.330 -25.804 -0.500 1.00 0.00 C ATOM 1687 OE1 GLU A 107 7.280 -26.335 0.113 1.00 0.00 O ATOM 1688 OE2 GLU A 107 5.318 -26.434 -0.874 1.00 0.00 O ATOM 0 H GLU A 107 7.773 -21.498 1.295 1.00 0.00 H new ATOM 0 HA GLU A 107 5.890 -21.827 -0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.631 -23.412 0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.076 -23.972 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.506 -24.014 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.248 -24.136 -1.477 1.00 0.00 H new ATOM 1695 N GLY A 108 4.633 -22.095 2.302 1.00 0.00 N ATOM 1696 CA GLY A 108 3.389 -22.022 3.044 1.00 0.00 C ATOM 1697 C GLY A 108 3.058 -20.608 3.474 1.00 0.00 C ATOM 1698 O GLY A 108 2.893 -20.334 4.662 1.00 0.00 O ATOM 0 H GLY A 108 5.464 -22.246 2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.578 -22.411 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.456 -22.661 3.925 1.00 0.00 H new ATOM 1702 N HIS A 109 2.965 -19.705 2.502 1.00 0.00 N ATOM 1703 CA HIS A 109 2.657 -18.308 2.783 1.00 0.00 C ATOM 1704 C HIS A 109 1.311 -18.175 3.490 1.00 0.00 C ATOM 1705 O HIS A 109 0.256 -18.342 2.879 1.00 0.00 O ATOM 1706 CB HIS A 109 2.649 -17.498 1.483 1.00 0.00 C ATOM 1707 CG HIS A 109 1.837 -18.124 0.391 1.00 0.00 C ATOM 1708 ND1 HIS A 109 1.023 -19.220 0.588 1.00 0.00 N ATOM 1709 CD2 HIS A 109 1.717 -17.802 -0.920 1.00 0.00 C ATOM 1710 CE1 HIS A 109 0.439 -19.545 -0.551 1.00 0.00 C ATOM 1711 NE2 HIS A 109 0.842 -18.700 -1.481 1.00 0.00 N ATOM 0 H HIS A 109 3.099 -19.917 1.513 1.00 0.00 H new ATOM 0 HA HIS A 109 3.430 -17.917 3.444 1.00 0.00 H new ATOM 0 HB2 HIS A 109 2.259 -16.501 1.688 1.00 0.00 H new ATOM 0 HB3 HIS A 109 3.675 -17.374 1.136 1.00 0.00 H new ATOM 0 HD1 HIS A 109 0.892 -19.704 1.476 1.00 0.00 H new ATOM 0 HD2 HIS A 109 2.216 -16.991 -1.429 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -0.251 -20.363 -0.697 1.00 0.00 H new ATOM 1720 N GLU A 110 1.357 -17.871 4.785 1.00 0.00 N ATOM 1721 CA GLU A 110 0.142 -17.714 5.577 1.00 0.00 C ATOM 1722 C GLU A 110 -0.751 -16.624 4.993 1.00 0.00 C ATOM 1723 O GLU A 110 -0.336 -15.473 4.862 1.00 0.00 O ATOM 1724 CB GLU A 110 0.496 -17.375 7.027 1.00 0.00 C ATOM 1725 CG GLU A 110 1.232 -18.490 7.750 1.00 0.00 C ATOM 1726 CD GLU A 110 1.673 -18.089 9.145 1.00 0.00 C ATOM 1727 OE1 GLU A 110 0.863 -17.471 9.868 1.00 0.00 O ATOM 1728 OE2 GLU A 110 2.827 -18.393 9.514 1.00 0.00 O ATOM 0 H GLU A 110 2.222 -17.729 5.307 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.403 -18.658 5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.112 -16.476 7.041 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.420 -17.143 7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.585 -19.365 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.105 -18.782 7.167 1.00 0.00 H new ATOM 1735 N ARG A 111 -1.977 -16.997 4.642 1.00 0.00 N ATOM 1736 CA ARG A 111 -2.927 -16.051 4.067 1.00 0.00 C ATOM 1737 C ARG A 111 -4.043 -15.725 5.055 1.00 0.00 C ATOM 1738 O ARG A 111 -4.636 -16.620 5.655 1.00 0.00 O ATOM 1739 CB ARG A 111 -3.523 -16.619 2.777 1.00 0.00 C ATOM 1740 CG ARG A 111 -2.483 -17.182 1.824 1.00 0.00 C ATOM 1741 CD ARG A 111 -1.584 -16.088 1.268 1.00 0.00 C ATOM 1742 NE ARG A 111 -2.069 -15.579 -0.014 1.00 0.00 N ATOM 1743 CZ ARG A 111 -2.912 -14.556 -0.140 1.00 0.00 C ATOM 1744 NH1 ARG A 111 -3.365 -13.917 0.933 1.00 0.00 N ATOM 1745 NH2 ARG A 111 -3.304 -14.166 -1.345 1.00 0.00 N ATOM 0 H ARG A 111 -2.336 -17.946 4.745 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.390 -15.130 3.840 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.235 -17.405 3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.083 -15.834 2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.876 -17.924 2.343 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -2.982 -17.697 1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -1.525 -15.269 1.984 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -0.573 -16.477 1.145 1.00 0.00 H new ATOM 0 HE ARG A 111 -1.741 -16.036 -0.865 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -3.067 -14.209 1.864 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -4.010 -13.135 0.826 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -2.960 -14.650 -2.175 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.950 -13.382 -1.442 1.00 0.00 H new ATOM 1759 N ARG A 112 -4.328 -14.435 5.212 1.00 0.00 N ATOM 1760 CA ARG A 112 -5.378 -13.989 6.121 1.00 0.00 C ATOM 1761 C ARG A 112 -6.716 -13.901 5.392 1.00 0.00 C ATOM 1762 O ARG A 112 -7.577 -14.767 5.548 1.00 0.00 O ATOM 1763 CB ARG A 112 -5.015 -12.628 6.723 1.00 0.00 C ATOM 1764 CG ARG A 112 -4.689 -12.686 8.206 1.00 0.00 C ATOM 1765 CD ARG A 112 -3.242 -13.088 8.443 1.00 0.00 C ATOM 1766 NE ARG A 112 -2.931 -13.198 9.865 1.00 0.00 N ATOM 1767 CZ ARG A 112 -2.679 -12.155 10.653 1.00 0.00 C ATOM 1768 NH1 ARG A 112 -2.703 -10.922 10.160 1.00 0.00 N ATOM 1769 NH2 ARG A 112 -2.403 -12.344 11.936 1.00 0.00 N ATOM 0 H ARG A 112 -3.847 -13.681 4.722 1.00 0.00 H new ATOM 0 HA ARG A 112 -5.469 -14.718 6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -4.158 -12.220 6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -5.845 -11.939 6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -4.876 -11.712 8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.351 -13.399 8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -3.046 -14.042 7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.581 -12.353 7.983 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.905 -14.130 10.280 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.915 -10.771 9.174 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.509 -10.126 10.768 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.384 -13.289 12.320 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.210 -11.545 12.539 1.00 0.00 H new ATOM 1783 N ASP A 113 -6.880 -12.853 4.591 1.00 0.00 N ATOM 1784 CA ASP A 113 -8.108 -12.654 3.832 1.00 0.00 C ATOM 1785 C ASP A 113 -7.907 -13.059 2.375 1.00 0.00 C ATOM 1786 O ASP A 113 -6.778 -13.121 1.891 1.00 0.00 O ATOM 1787 CB ASP A 113 -8.556 -11.193 3.916 1.00 0.00 C ATOM 1788 CG ASP A 113 -10.030 -11.059 4.247 1.00 0.00 C ATOM 1789 OD1 ASP A 113 -10.369 -11.031 5.449 1.00 0.00 O ATOM 1790 OD2 ASP A 113 -10.845 -10.982 3.303 1.00 0.00 O ATOM 0 H ASP A 113 -6.176 -12.128 4.451 1.00 0.00 H new ATOM 0 HA ASP A 113 -8.885 -13.284 4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -7.967 -10.678 4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -8.353 -10.698 2.966 1.00 0.00 H new ATOM 1795 N GLU A 114 -9.006 -13.340 1.683 1.00 0.00 N ATOM 1796 CA GLU A 114 -8.939 -13.746 0.284 1.00 0.00 C ATOM 1797 C GLU A 114 -9.638 -12.736 -0.624 1.00 0.00 C ATOM 1798 O GLU A 114 -10.860 -12.612 -0.599 1.00 0.00 O ATOM 1799 CB GLU A 114 -9.567 -15.130 0.104 1.00 0.00 C ATOM 1800 CG GLU A 114 -8.755 -16.055 -0.786 1.00 0.00 C ATOM 1801 CD GLU A 114 -9.439 -17.386 -1.024 1.00 0.00 C ATOM 1802 OE1 GLU A 114 -10.668 -17.391 -1.249 1.00 0.00 O ATOM 1803 OE2 GLU A 114 -8.746 -18.425 -0.983 1.00 0.00 O ATOM 0 H GLU A 114 -9.950 -13.294 2.066 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.888 -13.787 -0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.688 -15.595 1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.565 -15.015 -0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.576 -15.566 -1.744 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.780 -16.228 -0.330 1.00 0.00 H new ATOM 1810 N VAL A 115 -8.846 -12.030 -1.427 1.00 0.00 N ATOM 1811 CA VAL A 115 -9.366 -11.034 -2.362 1.00 0.00 C ATOM 1812 C VAL A 115 -9.188 -11.513 -3.802 1.00 0.00 C ATOM 1813 O VAL A 115 -8.065 -11.635 -4.291 1.00 0.00 O ATOM 1814 CB VAL A 115 -8.653 -9.679 -2.180 1.00 0.00 C ATOM 1815 CG1 VAL A 115 -7.166 -9.802 -2.484 1.00 0.00 C ATOM 1816 CG2 VAL A 115 -9.298 -8.618 -3.052 1.00 0.00 C ATOM 0 H VAL A 115 -7.831 -12.131 -1.449 1.00 0.00 H new ATOM 0 HA VAL A 115 -10.427 -10.902 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 115 -8.757 -9.375 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.686 -8.833 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.715 -10.528 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.031 -10.133 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -8.782 -7.668 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -9.230 -8.916 -4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -10.346 -8.506 -2.774 1.00 0.00 H new ATOM 1826 N LYS A 116 -10.300 -11.798 -4.466 1.00 0.00 N ATOM 1827 CA LYS A 116 -10.273 -12.283 -5.839 1.00 0.00 C ATOM 1828 C LYS A 116 -9.684 -11.249 -6.793 1.00 0.00 C ATOM 1829 O LYS A 116 -9.187 -11.603 -7.864 1.00 0.00 O ATOM 1830 CB LYS A 116 -11.683 -12.665 -6.293 1.00 0.00 C ATOM 1831 CG LYS A 116 -12.625 -11.479 -6.425 1.00 0.00 C ATOM 1832 CD LYS A 116 -13.870 -11.842 -7.218 1.00 0.00 C ATOM 1833 CE LYS A 116 -13.730 -11.455 -8.681 1.00 0.00 C ATOM 1834 NZ LYS A 116 -15.021 -11.568 -9.414 1.00 0.00 N ATOM 0 H LYS A 116 -11.236 -11.701 -4.073 1.00 0.00 H new ATOM 0 HA LYS A 116 -9.632 -13.164 -5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -11.620 -13.176 -7.254 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -12.104 -13.375 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -12.913 -11.130 -5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.107 -10.655 -6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -14.053 -12.914 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -14.736 -11.339 -6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -13.361 -10.432 -8.752 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -12.986 -12.095 -9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -14.881 -11.295 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.361 -12.550 -9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.724 -10.938 -8.978 1.00 0.00 H new ATOM 1848 N ALA A 117 -9.744 -9.973 -6.418 1.00 0.00 N ATOM 1849 CA ALA A 117 -9.211 -8.921 -7.283 1.00 0.00 C ATOM 1850 C ALA A 117 -9.264 -7.537 -6.639 1.00 0.00 C ATOM 1851 O ALA A 117 -9.890 -7.337 -5.599 1.00 0.00 O ATOM 1852 CB ALA A 117 -9.975 -8.899 -8.597 1.00 0.00 C ATOM 0 H ALA A 117 -10.147 -9.646 -5.540 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.161 -9.155 -7.456 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -9.574 -8.114 -9.238 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.870 -9.863 -9.095 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.030 -8.705 -8.401 1.00 0.00 H new ATOM 1858 N VAL A 118 -8.607 -6.585 -7.300 1.00 0.00 N ATOM 1859 CA VAL A 118 -8.562 -5.196 -6.853 1.00 0.00 C ATOM 1860 C VAL A 118 -9.211 -4.298 -7.905 1.00 0.00 C ATOM 1861 O VAL A 118 -8.664 -4.104 -8.990 1.00 0.00 O ATOM 1862 CB VAL A 118 -7.110 -4.736 -6.609 1.00 0.00 C ATOM 1863 CG1 VAL A 118 -6.285 -4.857 -7.883 1.00 0.00 C ATOM 1864 CG2 VAL A 118 -7.080 -3.311 -6.078 1.00 0.00 C ATOM 0 H VAL A 118 -8.090 -6.757 -8.162 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.108 -5.122 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 118 -6.667 -5.388 -5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -5.264 -4.527 -7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -6.274 -5.896 -8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.725 -4.234 -8.662 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -6.047 -3.006 -5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.544 -2.643 -6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -7.628 -3.262 -5.137 1.00 0.00 H new ATOM 1874 N THR A 119 -10.389 -3.773 -7.587 1.00 0.00 N ATOM 1875 CA THR A 119 -11.125 -2.919 -8.517 1.00 0.00 C ATOM 1876 C THR A 119 -11.255 -1.494 -7.983 1.00 0.00 C ATOM 1877 O THR A 119 -11.652 -1.298 -6.837 1.00 0.00 O ATOM 1878 CB THR A 119 -12.514 -3.514 -8.774 1.00 0.00 C ATOM 1879 OG1 THR A 119 -12.409 -4.738 -9.479 1.00 0.00 O ATOM 1880 CG2 THR A 119 -13.427 -2.606 -9.571 1.00 0.00 C ATOM 0 H THR A 119 -10.856 -3.923 -6.693 1.00 0.00 H new ATOM 0 HA THR A 119 -10.567 -2.874 -9.453 1.00 0.00 H new ATOM 0 HB THR A 119 -12.950 -3.657 -7.785 1.00 0.00 H new ATOM 0 HG1 THR A 119 -13.305 -5.105 -9.633 1.00 0.00 H new ATOM 0 HG21 THR A 119 -14.391 -3.094 -9.713 1.00 0.00 H new ATOM 0 HG22 THR A 119 -13.570 -1.670 -9.032 1.00 0.00 H new ATOM 0 HG23 THR A 119 -12.978 -2.400 -10.542 1.00 0.00 H new ATOM 1888 N PHE A 120 -10.920 -0.508 -8.833 1.00 0.00 N ATOM 1889 CA PHE A 120 -10.998 0.918 -8.471 1.00 0.00 C ATOM 1890 C PHE A 120 -12.086 1.168 -7.430 1.00 0.00 C ATOM 1891 O PHE A 120 -13.231 1.480 -7.757 1.00 0.00 O ATOM 1892 CB PHE A 120 -11.268 1.766 -9.717 1.00 0.00 C ATOM 1893 CG PHE A 120 -12.289 1.169 -10.643 1.00 0.00 C ATOM 1894 CD1 PHE A 120 -11.910 0.269 -11.626 1.00 0.00 C ATOM 1895 CD2 PHE A 120 -13.628 1.507 -10.530 1.00 0.00 C ATOM 1896 CE1 PHE A 120 -12.847 -0.282 -12.479 1.00 0.00 C ATOM 1897 CE2 PHE A 120 -14.570 0.959 -11.379 1.00 0.00 C ATOM 1898 CZ PHE A 120 -14.178 0.063 -12.355 1.00 0.00 C ATOM 0 H PHE A 120 -10.590 -0.675 -9.784 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.040 1.205 -8.038 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.606 2.755 -9.407 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.334 1.905 -10.261 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.870 -0.005 -11.727 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -13.939 2.207 -9.769 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -12.539 -0.982 -13.242 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -15.611 1.230 -11.280 1.00 0.00 H new ATOM 0 HZ PHE A 120 -14.912 -0.367 -13.020 1.00 0.00 H new ATOM 1908 N HIS A 121 -11.702 0.999 -6.177 1.00 0.00 N ATOM 1909 CA HIS A 121 -12.606 1.168 -5.043 1.00 0.00 C ATOM 1910 C HIS A 121 -12.840 2.643 -4.734 1.00 0.00 C ATOM 1911 O HIS A 121 -13.963 3.089 -4.500 1.00 0.00 O ATOM 1912 CB HIS A 121 -11.976 0.505 -3.825 1.00 0.00 C ATOM 1913 CG HIS A 121 -10.487 0.325 -3.949 1.00 0.00 C ATOM 1914 ND1 HIS A 121 -9.904 -0.827 -4.433 1.00 0.00 N ATOM 1915 CD2 HIS A 121 -9.467 1.170 -3.672 1.00 0.00 C ATOM 1916 CE1 HIS A 121 -8.591 -0.682 -4.447 1.00 0.00 C ATOM 1917 NE2 HIS A 121 -8.301 0.521 -3.991 1.00 0.00 N ATOM 0 H HIS A 121 -10.752 0.740 -5.912 1.00 0.00 H new ATOM 0 HA HIS A 121 -13.566 0.714 -5.289 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -12.190 1.106 -2.941 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -12.441 -0.468 -3.669 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -10.408 -1.661 -4.733 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -9.555 2.170 -3.274 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -7.877 -1.422 -4.776 1.00 0.00 H new ATOM 1926 N MET A 122 -11.741 3.372 -4.737 1.00 0.00 N ATOM 1927 CA MET A 122 -11.701 4.797 -4.467 1.00 0.00 C ATOM 1928 C MET A 122 -10.236 5.167 -4.368 1.00 0.00 C ATOM 1929 O MET A 122 -9.721 5.963 -5.153 1.00 0.00 O ATOM 1930 CB MET A 122 -12.433 5.143 -3.172 1.00 0.00 C ATOM 1931 CG MET A 122 -13.877 5.571 -3.385 1.00 0.00 C ATOM 1932 SD MET A 122 -14.143 7.323 -3.047 1.00 0.00 S ATOM 1933 CE MET A 122 -13.564 8.054 -4.576 1.00 0.00 C ATOM 0 H MET A 122 -10.822 2.977 -4.934 1.00 0.00 H new ATOM 0 HA MET A 122 -12.202 5.354 -5.259 1.00 0.00 H new ATOM 0 HB2 MET A 122 -12.413 4.277 -2.511 1.00 0.00 H new ATOM 0 HB3 MET A 122 -11.896 5.944 -2.664 1.00 0.00 H new ATOM 0 HG2 MET A 122 -14.167 5.356 -4.413 1.00 0.00 H new ATOM 0 HG3 MET A 122 -14.526 4.978 -2.740 1.00 0.00 H new ATOM 0 HE1 MET A 122 -13.664 9.138 -4.522 1.00 0.00 H new ATOM 0 HE2 MET A 122 -12.517 7.794 -4.730 1.00 0.00 H new ATOM 0 HE3 MET A 122 -14.158 7.676 -5.408 1.00 0.00 H new ATOM 1943 N MET A 123 -9.556 4.513 -3.427 1.00 0.00 N ATOM 1944 CA MET A 123 -8.126 4.691 -3.247 1.00 0.00 C ATOM 1945 C MET A 123 -7.727 6.160 -3.318 1.00 0.00 C ATOM 1946 O MET A 123 -6.975 6.574 -4.200 1.00 0.00 O ATOM 1947 CB MET A 123 -7.402 3.870 -4.318 1.00 0.00 C ATOM 1948 CG MET A 123 -6.034 3.374 -3.893 1.00 0.00 C ATOM 1949 SD MET A 123 -4.866 3.320 -5.264 1.00 0.00 S ATOM 1950 CE MET A 123 -5.746 2.269 -6.417 1.00 0.00 C ATOM 0 H MET A 123 -9.981 3.852 -2.776 1.00 0.00 H new ATOM 0 HA MET A 123 -7.841 4.343 -2.254 1.00 0.00 H new ATOM 0 HB2 MET A 123 -8.021 3.014 -4.585 1.00 0.00 H new ATOM 0 HB3 MET A 123 -7.294 4.478 -5.216 1.00 0.00 H new ATOM 0 HG2 MET A 123 -5.642 4.024 -3.111 1.00 0.00 H new ATOM 0 HG3 MET A 123 -6.130 2.378 -3.461 1.00 0.00 H new ATOM 0 HE1 MET A 123 -5.073 1.966 -7.219 1.00 0.00 H new ATOM 0 HE2 MET A 123 -6.112 1.384 -5.896 1.00 0.00 H new ATOM 0 HE3 MET A 123 -6.589 2.817 -6.838 1.00 0.00 H new ATOM 1960 N GLU A 124 -8.238 6.937 -2.373 1.00 0.00 N ATOM 1961 CA GLU A 124 -7.943 8.360 -2.306 1.00 0.00 C ATOM 1962 C GLU A 124 -7.783 8.793 -0.857 1.00 0.00 C ATOM 1963 O GLU A 124 -8.481 8.295 0.027 1.00 0.00 O ATOM 1964 CB GLU A 124 -9.055 9.170 -2.976 1.00 0.00 C ATOM 1965 CG GLU A 124 -8.937 9.229 -4.490 1.00 0.00 C ATOM 1966 CD GLU A 124 -9.466 10.527 -5.066 1.00 0.00 C ATOM 1967 OE1 GLU A 124 -10.329 11.156 -4.417 1.00 0.00 O ATOM 1968 OE2 GLU A 124 -9.016 10.917 -6.164 1.00 0.00 O ATOM 0 H GLU A 124 -8.862 6.603 -1.639 1.00 0.00 H new ATOM 0 HA GLU A 124 -7.009 8.546 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -10.019 8.736 -2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -9.043 10.185 -2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -7.892 9.109 -4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -9.484 8.393 -4.926 1.00 0.00 H new ATOM 1975 N ILE A 125 -6.862 9.714 -0.611 1.00 0.00 N ATOM 1976 CA ILE A 125 -6.626 10.192 0.742 1.00 0.00 C ATOM 1977 C ILE A 125 -7.382 11.483 1.016 1.00 0.00 C ATOM 1978 O ILE A 125 -7.085 12.527 0.437 1.00 0.00 O ATOM 1979 CB ILE A 125 -5.128 10.423 1.022 1.00 0.00 C ATOM 1980 CG1 ILE A 125 -4.460 11.143 -0.151 1.00 0.00 C ATOM 1981 CG2 ILE A 125 -4.434 9.102 1.306 1.00 0.00 C ATOM 1982 CD1 ILE A 125 -3.168 11.835 0.227 1.00 0.00 C ATOM 0 H ILE A 125 -6.271 10.141 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 125 -6.991 9.409 1.407 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.037 11.058 1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.259 10.422 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -5.153 11.880 -0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.377 9.281 1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -4.890 8.631 2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.537 8.444 0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.747 12.325 -0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.366 12.579 0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.459 11.099 0.606 1.00 0.00 H new ATOM 1994 N LEU A 126 -8.353 11.402 1.916 1.00 0.00 N ATOM 1995 CA LEU A 126 -9.148 12.567 2.285 1.00 0.00 C ATOM 1996 C LEU A 126 -8.694 13.099 3.639 1.00 0.00 C ATOM 1997 O LEU A 126 -8.445 12.326 4.563 1.00 0.00 O ATOM 1998 CB LEU A 126 -10.635 12.208 2.333 1.00 0.00 C ATOM 1999 CG LEU A 126 -11.590 13.370 2.055 1.00 0.00 C ATOM 2000 CD1 LEU A 126 -11.393 14.479 3.077 1.00 0.00 C ATOM 2001 CD2 LEU A 126 -11.387 13.899 0.643 1.00 0.00 C ATOM 0 H LEU A 126 -8.609 10.544 2.404 1.00 0.00 H new ATOM 0 HA LEU A 126 -9.003 13.341 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.826 11.418 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -10.863 11.798 3.317 1.00 0.00 H new ATOM 0 HG LEU A 126 -12.613 13.004 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -12.081 15.297 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.589 14.092 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.367 14.844 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.074 14.725 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -10.361 14.249 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -11.580 13.102 -0.075 1.00 0.00 H new ATOM 2013 N ASP A 127 -8.566 14.419 3.750 1.00 0.00 N ATOM 2014 CA ASP A 127 -8.117 15.025 4.996 1.00 0.00 C ATOM 2015 C ASP A 127 -9.278 15.607 5.797 1.00 0.00 C ATOM 2016 O ASP A 127 -10.010 16.473 5.318 1.00 0.00 O ATOM 2017 CB ASP A 127 -7.088 16.120 4.708 1.00 0.00 C ATOM 2018 CG ASP A 127 -7.549 17.078 3.625 1.00 0.00 C ATOM 2019 OD1 ASP A 127 -8.213 18.081 3.964 1.00 0.00 O ATOM 2020 OD2 ASP A 127 -7.248 16.825 2.441 1.00 0.00 O ATOM 0 H ASP A 127 -8.765 15.081 3.000 1.00 0.00 H new ATOM 0 HA ASP A 127 -7.659 14.238 5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -6.890 16.678 5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -6.147 15.660 4.406 1.00 0.00 H new ATOM 2025 N GLU A 128 -9.423 15.131 7.031 1.00 0.00 N ATOM 2026 CA GLU A 128 -10.473 15.606 7.925 1.00 0.00 C ATOM 2027 C GLU A 128 -9.872 16.107 9.235 1.00 0.00 C ATOM 2028 O GLU A 128 -9.112 15.392 9.887 1.00 0.00 O ATOM 2029 CB GLU A 128 -11.482 14.490 8.204 1.00 0.00 C ATOM 2030 CG GLU A 128 -12.833 14.998 8.681 1.00 0.00 C ATOM 2031 CD GLU A 128 -13.496 15.921 7.678 1.00 0.00 C ATOM 2032 OE1 GLU A 128 -14.011 15.418 6.657 1.00 0.00 O ATOM 2033 OE2 GLU A 128 -13.502 17.148 7.914 1.00 0.00 O ATOM 0 H GLU A 128 -8.822 14.413 7.435 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.990 16.433 7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -11.623 13.904 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -11.069 13.818 8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -13.488 14.149 8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -12.705 15.526 9.626 1.00 0.00 H new ATOM 2040 N ASP A 129 -10.214 17.332 9.623 1.00 0.00 N ATOM 2041 CA ASP A 129 -9.694 17.904 10.864 1.00 0.00 C ATOM 2042 C ASP A 129 -8.171 17.967 10.840 1.00 0.00 C ATOM 2043 O ASP A 129 -7.524 18.040 11.886 1.00 0.00 O ATOM 2044 CB ASP A 129 -10.141 17.058 12.050 1.00 0.00 C ATOM 2045 CG ASP A 129 -10.453 17.894 13.277 1.00 0.00 C ATOM 2046 OD1 ASP A 129 -10.825 19.074 13.112 1.00 0.00 O ATOM 2047 OD2 ASP A 129 -10.325 17.366 14.402 1.00 0.00 O ATOM 0 H ASP A 129 -10.843 17.944 9.103 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.086 18.917 10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -11.025 16.485 11.770 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.359 16.339 12.294 1.00 0.00 H new ATOM 2052 N GLY A 130 -7.604 17.919 9.644 1.00 0.00 N ATOM 2053 CA GLY A 130 -6.161 17.951 9.503 1.00 0.00 C ATOM 2054 C GLY A 130 -5.558 16.558 9.496 1.00 0.00 C ATOM 2055 O GLY A 130 -4.342 16.400 9.389 1.00 0.00 O ATOM 0 H GLY A 130 -8.118 17.858 8.765 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.899 18.464 8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -5.730 18.528 10.321 1.00 0.00 H new ATOM 2059 N LEU A 131 -6.415 15.545 9.603 1.00 0.00 N ATOM 2060 CA LEU A 131 -5.975 14.157 9.601 1.00 0.00 C ATOM 2061 C LEU A 131 -6.186 13.539 8.225 1.00 0.00 C ATOM 2062 O LEU A 131 -7.146 13.868 7.534 1.00 0.00 O ATOM 2063 CB LEU A 131 -6.735 13.356 10.658 1.00 0.00 C ATOM 2064 CG LEU A 131 -6.098 13.354 12.047 1.00 0.00 C ATOM 2065 CD1 LEU A 131 -7.023 12.696 13.060 1.00 0.00 C ATOM 2066 CD2 LEU A 131 -4.753 12.646 12.011 1.00 0.00 C ATOM 0 H LEU A 131 -7.424 15.664 9.693 1.00 0.00 H new ATOM 0 HA LEU A 131 -4.912 14.130 9.840 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -7.746 13.756 10.739 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -6.827 12.325 10.315 1.00 0.00 H new ATOM 0 HG LEU A 131 -5.936 14.387 12.354 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -6.551 12.704 14.043 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -7.964 13.245 13.104 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -7.218 11.666 12.760 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -4.312 12.653 13.008 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -4.893 11.616 11.683 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -4.089 13.161 11.317 1.00 0.00 H new ATOM 2078 N ILE A 132 -5.282 12.650 7.827 1.00 0.00 N ATOM 2079 CA ILE A 132 -5.378 12.000 6.523 1.00 0.00 C ATOM 2080 C ILE A 132 -5.944 10.596 6.630 1.00 0.00 C ATOM 2081 O ILE A 132 -5.542 9.816 7.492 1.00 0.00 O ATOM 2082 CB ILE A 132 -4.009 11.890 5.816 1.00 0.00 C ATOM 2083 CG1 ILE A 132 -2.862 11.831 6.835 1.00 0.00 C ATOM 2084 CG2 ILE A 132 -3.807 13.045 4.849 1.00 0.00 C ATOM 2085 CD1 ILE A 132 -2.364 13.191 7.281 1.00 0.00 C ATOM 0 H ILE A 132 -4.478 12.363 8.385 1.00 0.00 H new ATOM 0 HA ILE A 132 -6.045 12.635 5.940 1.00 0.00 H new ATOM 0 HB ILE A 132 -4.002 10.960 5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -3.195 11.273 7.710 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -2.031 11.276 6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -2.836 12.947 4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -4.594 13.030 4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -3.846 13.988 5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -1.555 13.064 8.000 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -1.998 13.746 6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -3.180 13.742 7.747 1.00 0.00 H new ATOM 2097 N LYS A 133 -6.853 10.267 5.721 1.00 0.00 N ATOM 2098 CA LYS A 133 -7.442 8.941 5.690 1.00 0.00 C ATOM 2099 C LYS A 133 -7.467 8.407 4.255 1.00 0.00 C ATOM 2100 O LYS A 133 -7.811 9.130 3.322 1.00 0.00 O ATOM 2101 CB LYS A 133 -8.864 8.977 6.254 1.00 0.00 C ATOM 2102 CG LYS A 133 -8.946 9.550 7.659 1.00 0.00 C ATOM 2103 CD LYS A 133 -9.425 10.995 7.649 1.00 0.00 C ATOM 2104 CE LYS A 133 -10.842 11.117 8.184 1.00 0.00 C ATOM 2105 NZ LYS A 133 -10.877 11.114 9.673 1.00 0.00 N ATOM 0 H LYS A 133 -7.196 10.900 4.999 1.00 0.00 H new ATOM 0 HA LYS A 133 -6.834 8.278 6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.494 9.570 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -9.270 7.965 6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -9.625 8.945 8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -7.966 9.494 8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -8.754 11.606 8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -9.384 11.386 6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -11.292 12.038 7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -11.445 10.292 7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -11.360 10.256 10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -9.905 11.130 10.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -11.390 11.954 10.010 1.00 0.00 H new ATOM 2119 N ALA A 134 -7.115 7.137 4.095 1.00 0.00 N ATOM 2120 CA ALA A 134 -7.102 6.487 2.781 1.00 0.00 C ATOM 2121 C ALA A 134 -8.169 5.395 2.707 1.00 0.00 C ATOM 2122 O ALA A 134 -8.501 4.787 3.721 1.00 0.00 O ATOM 2123 CB ALA A 134 -5.726 5.906 2.492 1.00 0.00 C ATOM 0 H ALA A 134 -6.832 6.529 4.863 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.329 7.238 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -5.732 5.427 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.985 6.705 2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -5.474 5.170 3.255 1.00 0.00 H new ATOM 2129 N ARG A 135 -8.722 5.161 1.514 1.00 0.00 N ATOM 2130 CA ARG A 135 -9.775 4.144 1.358 1.00 0.00 C ATOM 2131 C ARG A 135 -9.507 3.142 0.247 1.00 0.00 C ATOM 2132 O ARG A 135 -9.430 3.502 -0.928 1.00 0.00 O ATOM 2133 CB ARG A 135 -11.129 4.790 1.085 1.00 0.00 C ATOM 2134 CG ARG A 135 -11.071 6.278 0.821 1.00 0.00 C ATOM 2135 CD ARG A 135 -12.163 6.667 -0.147 1.00 0.00 C ATOM 2136 NE ARG A 135 -11.876 7.925 -0.833 1.00 0.00 N ATOM 2137 CZ ARG A 135 -12.089 9.126 -0.299 1.00 0.00 C ATOM 2138 NH1 ARG A 135 -12.584 9.237 0.928 1.00 0.00 N ATOM 2139 NH2 ARG A 135 -11.803 10.219 -0.992 1.00 0.00 N ATOM 0 H ARG A 135 -8.467 5.649 0.655 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.779 3.607 2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.585 4.299 0.226 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.782 4.610 1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -11.187 6.827 1.755 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -10.097 6.547 0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -12.290 5.875 -0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.107 6.756 0.391 1.00 0.00 H new ATOM 0 HE ARG A 135 -11.490 7.880 -1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -12.803 8.399 1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -12.745 10.160 1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -11.420 10.140 -1.934 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -11.966 11.139 -0.583 1.00 0.00 H new ATOM 2153 N VAL A 136 -9.434 1.869 0.625 1.00 0.00 N ATOM 2154 CA VAL A 136 -9.252 0.804 -0.352 1.00 0.00 C ATOM 2155 C VAL A 136 -10.252 -0.346 -0.161 1.00 0.00 C ATOM 2156 O VAL A 136 -10.174 -1.077 0.815 1.00 0.00 O ATOM 2157 CB VAL A 136 -7.824 0.229 -0.308 1.00 0.00 C ATOM 2158 CG1 VAL A 136 -7.590 -0.693 -1.497 1.00 0.00 C ATOM 2159 CG2 VAL A 136 -6.795 1.349 -0.277 1.00 0.00 C ATOM 0 H VAL A 136 -9.498 1.553 1.593 1.00 0.00 H new ATOM 0 HA VAL A 136 -9.430 1.265 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.712 -0.355 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.577 -1.093 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -8.306 -1.515 -1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.720 -0.133 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -5.793 0.922 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.900 1.964 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -6.954 1.965 0.608 1.00 0.00 H new ATOM 2169 N ILE A 137 -11.134 -0.512 -1.149 1.00 0.00 N ATOM 2170 CA ILE A 137 -12.150 -1.572 -1.215 1.00 0.00 C ATOM 2171 C ILE A 137 -11.743 -2.607 -2.265 1.00 0.00 C ATOM 2172 O ILE A 137 -11.641 -2.302 -3.450 1.00 0.00 O ATOM 2173 CB ILE A 137 -13.556 -0.997 -1.562 1.00 0.00 C ATOM 2174 CG1 ILE A 137 -14.432 -0.949 -0.305 1.00 0.00 C ATOM 2175 CG2 ILE A 137 -14.239 -1.814 -2.659 1.00 0.00 C ATOM 2176 CD1 ILE A 137 -15.893 -0.652 -0.580 1.00 0.00 C ATOM 0 H ILE A 137 -11.164 0.110 -1.957 1.00 0.00 H new ATOM 0 HA ILE A 137 -12.212 -2.042 -0.233 1.00 0.00 H new ATOM 0 HB ILE A 137 -13.421 0.016 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -14.358 -1.905 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -14.039 -0.189 0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -15.217 -1.385 -2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -13.627 -1.796 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -14.361 -2.844 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -16.444 -0.635 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -15.981 0.318 -1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -16.305 -1.425 -1.229 1.00 0.00 H new ATOM 2188 N LEU A 138 -11.484 -3.822 -1.818 1.00 0.00 N ATOM 2189 CA LEU A 138 -11.055 -4.892 -2.707 1.00 0.00 C ATOM 2190 C LEU A 138 -12.161 -5.896 -2.971 1.00 0.00 C ATOM 2191 O LEU A 138 -13.080 -6.052 -2.174 1.00 0.00 O ATOM 2192 CB LEU A 138 -9.801 -5.562 -2.160 1.00 0.00 C ATOM 2193 CG LEU A 138 -8.659 -4.597 -1.809 1.00 0.00 C ATOM 2194 CD1 LEU A 138 -7.320 -5.202 -2.196 1.00 0.00 C ATOM 2195 CD2 LEU A 138 -8.847 -3.240 -2.491 1.00 0.00 C ATOM 0 H LEU A 138 -11.563 -4.096 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 138 -10.812 -4.447 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -10.068 -6.128 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.439 -6.280 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.676 -4.435 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -6.520 -4.507 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -7.174 -6.137 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.305 -5.396 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -8.022 -2.580 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.865 -3.376 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -9.788 -2.796 -2.165 1.00 0.00 H new ATOM 2207 N ASP A 139 -12.082 -6.538 -4.128 1.00 0.00 N ATOM 2208 CA ASP A 139 -13.104 -7.494 -4.548 1.00 0.00 C ATOM 2209 C ASP A 139 -12.893 -8.871 -3.919 1.00 0.00 C ATOM 2210 O ASP A 139 -11.927 -9.571 -4.219 1.00 0.00 O ATOM 2211 CB ASP A 139 -13.105 -7.620 -6.074 1.00 0.00 C ATOM 2212 CG ASP A 139 -14.498 -7.513 -6.662 1.00 0.00 C ATOM 2213 OD1 ASP A 139 -15.397 -8.245 -6.198 1.00 0.00 O ATOM 2214 OD2 ASP A 139 -14.690 -6.696 -7.587 1.00 0.00 O ATOM 0 H ASP A 139 -11.320 -6.416 -4.796 1.00 0.00 H new ATOM 0 HA ASP A 139 -14.067 -7.116 -4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -12.473 -6.841 -6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -12.667 -8.577 -6.357 1.00 0.00 H new ATOM 2219 N LEU A 140 -13.835 -9.237 -3.044 1.00 0.00 N ATOM 2220 CA LEU A 140 -13.829 -10.518 -2.331 1.00 0.00 C ATOM 2221 C LEU A 140 -12.433 -11.020 -2.050 1.00 0.00 C ATOM 2222 O LEU A 140 -12.030 -12.027 -2.672 1.00 0.00 O ATOM 2223 CB LEU A 140 -14.629 -11.576 -3.102 1.00 0.00 C ATOM 2224 CG LEU A 140 -16.153 -11.508 -2.944 1.00 0.00 C ATOM 2225 CD1 LEU A 140 -16.791 -12.810 -3.406 1.00 0.00 C ATOM 2226 CD2 LEU A 140 -16.542 -11.212 -1.501 1.00 0.00 C ATOM 2227 OXT LEU A 140 -11.759 -10.415 -1.190 1.00 0.00 O ATOM 0 H LEU A 140 -14.632 -8.645 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 140 -14.308 -10.340 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -14.388 -11.485 -4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -14.293 -12.562 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 140 -16.521 -10.694 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -17.873 -12.747 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -16.550 -12.981 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -16.408 -13.636 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -17.628 -11.169 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -16.159 -12.000 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -16.117 -10.255 -1.199 1.00 0.00 H new