USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 808 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 Single : A 1 GLY N :NH3+ -121:sc= 0.132 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.015 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 39:sc= 0.0146 USER MOD Single : A 6 SER OG : rot 180:sc= -0.148 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 54:sc= 0.0965 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -2.19! C(o=-5.1!,f=-2.2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -31:sc= 0.729 USER MOD Single : A 48 THR OG1 : rot -170:sc= -2.38! USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.361) USER MOD Single : A 53 SER OG : rot 74:sc= -2.24! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= 0.122 (180deg=-0.157) USER MOD Single : A 71 CYS SG : rot 79:sc= -2.38! USER MOD Single : A 78 ASN : amide:sc= -1.03 K(o=-1,f=-6.9!) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.143 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 158:sc= -2.74! USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0381 USER MOD Single : A 92 GLN : amide:sc= -0.698! C(o=-0.7!,f=-12!) USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= -0.203 (180deg=-0.756) USER MOD Single : A 105 SER OG : rot -20:sc= 0.0233 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.320 -14.002 16.136 1.00 0.00 N ATOM 2 CA GLY A 1 -1.694 -13.886 16.594 1.00 0.00 C ATOM 3 C GLY A 1 -2.647 -13.664 15.418 1.00 0.00 C ATOM 4 O GLY A 1 -2.220 -13.640 14.264 1.00 0.00 O ATOM 0 H1 GLY A 1 0.065 -14.924 16.425 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.292 -13.924 15.099 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.251 -13.241 16.556 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.979 -14.790 17.132 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.778 -13.057 17.296 1.00 0.00 H new ATOM 8 N SER A 2 -3.920 -13.508 15.750 1.00 0.00 N ATOM 9 CA SER A 2 -4.937 -13.289 14.736 1.00 0.00 C ATOM 10 C SER A 2 -6.306 -13.115 15.397 1.00 0.00 C ATOM 11 O SER A 2 -6.957 -12.086 15.221 1.00 0.00 O ATOM 12 CB SER A 2 -4.975 -14.446 13.735 1.00 0.00 C ATOM 13 OG SER A 2 -5.049 -15.712 14.386 1.00 0.00 O ATOM 0 H SER A 2 -4.270 -13.529 16.708 1.00 0.00 H new ATOM 0 HA SER A 2 -4.685 -12.380 14.190 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.834 -14.327 13.075 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.084 -14.412 13.108 1.00 0.00 H new ATOM 0 HG SER A 2 -5.073 -16.425 13.714 1.00 0.00 H new ATOM 19 N SER A 3 -6.702 -14.135 16.143 1.00 0.00 N ATOM 20 CA SER A 3 -7.981 -14.107 16.831 1.00 0.00 C ATOM 21 C SER A 3 -7.775 -14.339 18.329 1.00 0.00 C ATOM 22 O SER A 3 -7.842 -15.473 18.801 1.00 0.00 O ATOM 23 CB SER A 3 -8.938 -15.155 16.259 1.00 0.00 C ATOM 24 OG SER A 3 -9.492 -14.747 15.011 1.00 0.00 O ATOM 0 H SER A 3 -6.159 -14.987 16.286 1.00 0.00 H new ATOM 0 HA SER A 3 -8.428 -13.125 16.680 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.407 -16.098 16.129 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.743 -15.338 16.971 1.00 0.00 H new ATOM 0 HG SER A 3 -10.096 -15.443 14.678 1.00 0.00 H new ATOM 30 N GLY A 4 -7.529 -13.246 19.037 1.00 0.00 N ATOM 31 CA GLY A 4 -7.312 -13.316 20.472 1.00 0.00 C ATOM 32 C GLY A 4 -5.958 -12.714 20.852 1.00 0.00 C ATOM 33 O GLY A 4 -4.922 -13.358 20.695 1.00 0.00 O ATOM 0 H GLY A 4 -7.475 -12.307 18.643 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.109 -12.783 20.990 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.357 -14.355 20.800 1.00 0.00 H new ATOM 37 N SER A 5 -6.011 -11.485 21.345 1.00 0.00 N ATOM 38 CA SER A 5 -4.802 -10.788 21.750 1.00 0.00 C ATOM 39 C SER A 5 -5.128 -9.760 22.834 1.00 0.00 C ATOM 40 O SER A 5 -5.283 -8.575 22.544 1.00 0.00 O ATOM 41 CB SER A 5 -4.134 -10.106 20.554 1.00 0.00 C ATOM 42 OG SER A 5 -3.049 -10.873 20.039 1.00 0.00 O ATOM 0 H SER A 5 -6.872 -10.954 21.473 1.00 0.00 H new ATOM 0 HA SER A 5 -4.103 -11.521 22.153 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.872 -9.949 19.768 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.773 -9.122 20.853 1.00 0.00 H new ATOM 0 HG SER A 5 -3.280 -11.825 20.065 1.00 0.00 H new ATOM 48 N SER A 6 -5.222 -10.251 24.061 1.00 0.00 N ATOM 49 CA SER A 6 -5.527 -9.389 25.191 1.00 0.00 C ATOM 50 C SER A 6 -4.300 -8.551 25.556 1.00 0.00 C ATOM 51 O SER A 6 -3.196 -8.822 25.085 1.00 0.00 O ATOM 52 CB SER A 6 -5.990 -10.206 26.398 1.00 0.00 C ATOM 53 OG SER A 6 -6.398 -9.375 27.481 1.00 0.00 O ATOM 0 H SER A 6 -5.092 -11.235 24.298 1.00 0.00 H new ATOM 0 HA SER A 6 -6.341 -8.724 24.903 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.818 -10.850 26.103 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.181 -10.858 26.726 1.00 0.00 H new ATOM 0 HG SER A 6 -6.688 -9.935 28.231 1.00 0.00 H new ATOM 59 N GLY A 7 -4.534 -7.550 26.392 1.00 0.00 N ATOM 60 CA GLY A 7 -3.461 -6.672 26.826 1.00 0.00 C ATOM 61 C GLY A 7 -3.861 -5.202 26.674 1.00 0.00 C ATOM 62 O GLY A 7 -4.061 -4.722 25.560 1.00 0.00 O ATOM 0 H GLY A 7 -5.451 -7.328 26.780 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.215 -6.880 27.867 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.564 -6.871 26.240 1.00 0.00 H new ATOM 66 N PHE A 8 -3.966 -4.530 27.811 1.00 0.00 N ATOM 67 CA PHE A 8 -4.338 -3.126 27.818 1.00 0.00 C ATOM 68 C PHE A 8 -5.655 -2.904 27.072 1.00 0.00 C ATOM 69 O PHE A 8 -6.168 -3.816 26.425 1.00 0.00 O ATOM 70 CB PHE A 8 -3.223 -2.364 27.099 1.00 0.00 C ATOM 71 CG PHE A 8 -2.164 -1.780 28.036 1.00 0.00 C ATOM 72 CD1 PHE A 8 -1.340 -2.609 28.731 1.00 0.00 C ATOM 73 CD2 PHE A 8 -2.046 -0.432 28.173 1.00 0.00 C ATOM 74 CE1 PHE A 8 -0.357 -2.066 29.601 1.00 0.00 C ATOM 75 CE2 PHE A 8 -1.063 0.110 29.043 1.00 0.00 C ATOM 76 CZ PHE A 8 -0.239 -0.719 29.738 1.00 0.00 C ATOM 0 H PHE A 8 -3.800 -4.932 28.734 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.470 -2.781 28.844 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.737 -3.035 26.391 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.666 -1.555 26.519 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.433 -3.679 28.622 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.700 0.226 27.620 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.297 -2.724 30.154 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.970 1.180 29.153 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.509 -0.307 30.399 1.00 0.00 H new ATOM 86 N PHE A 9 -6.165 -1.686 27.187 1.00 0.00 N ATOM 87 CA PHE A 9 -7.412 -1.333 26.531 1.00 0.00 C ATOM 88 C PHE A 9 -7.152 -0.689 25.167 1.00 0.00 C ATOM 89 O PHE A 9 -6.772 0.478 25.090 1.00 0.00 O ATOM 90 CB PHE A 9 -8.120 -0.319 27.433 1.00 0.00 C ATOM 91 CG PHE A 9 -9.629 -0.223 27.196 1.00 0.00 C ATOM 92 CD1 PHE A 9 -10.107 0.492 26.142 1.00 0.00 C ATOM 93 CD2 PHE A 9 -10.491 -0.852 28.038 1.00 0.00 C ATOM 94 CE1 PHE A 9 -11.507 0.582 25.922 1.00 0.00 C ATOM 95 CE2 PHE A 9 -11.891 -0.762 27.818 1.00 0.00 C ATOM 96 CZ PHE A 9 -12.370 -0.047 26.765 1.00 0.00 C ATOM 0 H PHE A 9 -5.737 -0.932 27.724 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.014 -2.227 26.372 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.942 -0.588 28.474 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.675 0.664 27.277 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.422 0.991 25.473 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.111 -1.420 28.874 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.887 1.150 25.085 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -12.576 -1.262 28.487 1.00 0.00 H new ATOM 0 HZ PHE A 9 -13.435 0.021 26.598 1.00 0.00 H new ATOM 106 N LYS A 10 -7.367 -1.479 24.125 1.00 0.00 N ATOM 107 CA LYS A 10 -7.160 -1.000 22.769 1.00 0.00 C ATOM 108 C LYS A 10 -8.326 -1.456 21.889 1.00 0.00 C ATOM 109 O LYS A 10 -9.082 -0.631 21.379 1.00 0.00 O ATOM 110 CB LYS A 10 -5.790 -1.439 22.249 1.00 0.00 C ATOM 111 CG LYS A 10 -4.667 -0.665 22.942 1.00 0.00 C ATOM 112 CD LYS A 10 -3.491 -0.435 21.991 1.00 0.00 C ATOM 113 CE LYS A 10 -3.134 1.051 21.909 1.00 0.00 C ATOM 114 NZ LYS A 10 -2.873 1.444 20.506 1.00 0.00 N ATOM 0 H LYS A 10 -7.682 -2.447 24.193 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.150 0.090 22.747 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.658 -2.508 22.418 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.737 -1.278 21.172 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.046 0.294 23.296 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.328 -1.217 23.819 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.625 -1.002 22.334 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.743 -0.807 20.998 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.949 1.650 22.315 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.254 1.254 22.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.632 2.455 20.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.081 0.885 20.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.723 1.269 19.933 1.00 0.00 H new ATOM 128 N GLY A 11 -8.435 -2.768 21.739 1.00 0.00 N ATOM 129 CA GLY A 11 -9.496 -3.343 20.929 1.00 0.00 C ATOM 130 C GLY A 11 -8.927 -4.292 19.873 1.00 0.00 C ATOM 131 O GLY A 11 -8.631 -5.449 20.168 1.00 0.00 O ATOM 0 H GLY A 11 -7.806 -3.449 22.165 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.195 -3.882 21.569 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.059 -2.547 20.442 1.00 0.00 H new ATOM 135 N ALA A 12 -8.790 -3.767 18.664 1.00 0.00 N ATOM 136 CA ALA A 12 -8.262 -4.553 17.562 1.00 0.00 C ATOM 137 C ALA A 12 -7.361 -3.670 16.697 1.00 0.00 C ATOM 138 O ALA A 12 -7.839 -2.756 16.028 1.00 0.00 O ATOM 139 CB ALA A 12 -9.419 -5.161 16.767 1.00 0.00 C ATOM 0 H ALA A 12 -9.036 -2.807 18.424 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.655 -5.378 17.936 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.022 -5.751 15.940 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.011 -5.803 17.419 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.049 -4.363 16.374 1.00 0.00 H new ATOM 145 N ALA A 13 -6.072 -3.975 16.739 1.00 0.00 N ATOM 146 CA ALA A 13 -5.099 -3.220 15.967 1.00 0.00 C ATOM 147 C ALA A 13 -5.193 -1.740 16.344 1.00 0.00 C ATOM 148 O ALA A 13 -6.061 -1.348 17.123 1.00 0.00 O ATOM 149 CB ALA A 13 -5.336 -3.457 14.474 1.00 0.00 C ATOM 0 H ALA A 13 -5.679 -4.734 17.295 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.087 -3.555 16.194 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.606 -2.891 13.895 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.229 -4.519 14.253 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.342 -3.130 14.209 1.00 0.00 H new ATOM 155 N SER A 14 -4.288 -0.958 15.774 1.00 0.00 N ATOM 156 CA SER A 14 -4.257 0.470 16.041 1.00 0.00 C ATOM 157 C SER A 14 -4.868 1.235 14.865 1.00 0.00 C ATOM 158 O SER A 14 -4.153 1.883 14.103 1.00 0.00 O ATOM 159 CB SER A 14 -2.829 0.951 16.303 1.00 0.00 C ATOM 160 OG SER A 14 -1.921 0.499 15.302 1.00 0.00 O ATOM 0 H SER A 14 -3.570 -1.287 15.128 1.00 0.00 H new ATOM 0 HA SER A 14 -4.846 0.663 16.938 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.815 2.040 16.340 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.500 0.594 17.279 1.00 0.00 H new ATOM 0 HG SER A 14 -2.255 0.757 14.417 1.00 0.00 H new ATOM 166 N SER A 15 -6.185 1.133 14.754 1.00 0.00 N ATOM 167 CA SER A 15 -6.900 1.807 13.684 1.00 0.00 C ATOM 168 C SER A 15 -6.468 1.243 12.329 1.00 0.00 C ATOM 169 O SER A 15 -5.343 1.471 11.888 1.00 0.00 O ATOM 170 CB SER A 15 -6.662 3.318 13.729 1.00 0.00 C ATOM 171 OG SER A 15 -7.583 3.977 14.595 1.00 0.00 O ATOM 0 H SER A 15 -6.775 0.594 15.388 1.00 0.00 H new ATOM 0 HA SER A 15 -7.967 1.629 13.821 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.644 3.515 14.065 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.751 3.729 12.724 1.00 0.00 H new ATOM 0 HG SER A 15 -7.398 4.939 14.598 1.00 0.00 H new ATOM 177 N VAL A 16 -7.385 0.516 11.707 1.00 0.00 N ATOM 178 CA VAL A 16 -7.113 -0.083 10.412 1.00 0.00 C ATOM 179 C VAL A 16 -8.235 0.285 9.439 1.00 0.00 C ATOM 180 O VAL A 16 -9.409 0.275 9.807 1.00 0.00 O ATOM 181 CB VAL A 16 -6.924 -1.593 10.563 1.00 0.00 C ATOM 182 CG1 VAL A 16 -6.546 -2.235 9.227 1.00 0.00 C ATOM 183 CG2 VAL A 16 -5.884 -1.911 11.638 1.00 0.00 C ATOM 0 H VAL A 16 -8.317 0.328 12.076 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.183 0.307 9.999 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.875 -2.019 10.882 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.418 -3.309 9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.337 -2.053 8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.614 -1.801 8.866 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.769 -2.991 11.725 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.928 -1.465 11.363 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.212 -1.503 12.594 1.00 0.00 H new ATOM 193 N LEU A 17 -7.834 0.602 8.216 1.00 0.00 N ATOM 194 CA LEU A 17 -8.792 0.973 7.188 1.00 0.00 C ATOM 195 C LEU A 17 -9.255 -0.286 6.451 1.00 0.00 C ATOM 196 O LEU A 17 -8.434 -1.066 5.972 1.00 0.00 O ATOM 197 CB LEU A 17 -8.201 2.043 6.267 1.00 0.00 C ATOM 198 CG LEU A 17 -8.228 3.476 6.801 1.00 0.00 C ATOM 199 CD1 LEU A 17 -7.670 4.456 5.767 1.00 0.00 C ATOM 200 CD2 LEU A 17 -9.635 3.865 7.258 1.00 0.00 C ATOM 0 H LEU A 17 -6.860 0.610 7.914 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.677 1.424 7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.167 1.777 6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.742 2.019 5.321 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.580 3.527 7.676 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.700 5.468 6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.639 4.190 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.272 4.410 4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.626 4.888 7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.324 3.793 6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.959 3.191 8.051 1.00 0.00 H new ATOM 212 N GLU A 18 -10.569 -0.443 6.383 1.00 0.00 N ATOM 213 CA GLU A 18 -11.151 -1.593 5.713 1.00 0.00 C ATOM 214 C GLU A 18 -11.441 -1.262 4.247 1.00 0.00 C ATOM 215 O GLU A 18 -12.265 -0.397 3.954 1.00 0.00 O ATOM 216 CB GLU A 18 -12.418 -2.063 6.430 1.00 0.00 C ATOM 217 CG GLU A 18 -13.568 -1.077 6.214 1.00 0.00 C ATOM 218 CD GLU A 18 -14.718 -1.356 7.184 1.00 0.00 C ATOM 219 OE1 GLU A 18 -15.530 -2.249 6.859 1.00 0.00 O ATOM 220 OE2 GLU A 18 -14.759 -0.669 8.227 1.00 0.00 O ATOM 0 H GLU A 18 -11.247 0.207 6.781 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.431 -2.411 5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.705 -3.048 6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.219 -2.167 7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.209 -0.057 6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.927 -1.151 5.188 1.00 0.00 H new ATOM 227 N LEU A 19 -10.749 -1.969 3.366 1.00 0.00 N ATOM 228 CA LEU A 19 -10.922 -1.761 1.938 1.00 0.00 C ATOM 229 C LEU A 19 -12.409 -1.857 1.590 1.00 0.00 C ATOM 230 O LEU A 19 -13.212 -2.317 2.401 1.00 0.00 O ATOM 231 CB LEU A 19 -10.042 -2.729 1.145 1.00 0.00 C ATOM 232 CG LEU A 19 -8.540 -2.438 1.163 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.226 -1.133 0.428 1.00 0.00 C ATOM 234 CD2 LEU A 19 -7.999 -2.434 2.594 1.00 0.00 C ATOM 0 H LEU A 19 -10.067 -2.686 3.613 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.591 -0.761 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.202 -3.735 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.379 -2.730 0.109 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.030 -3.240 0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.152 -0.949 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.554 -1.211 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.748 -0.308 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.929 -2.225 2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.510 -1.666 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.171 -3.409 3.051 1.00 0.00 H new ATOM 246 N THR A 20 -12.731 -1.414 0.384 1.00 0.00 N ATOM 247 CA THR A 20 -14.107 -1.444 -0.081 1.00 0.00 C ATOM 248 C THR A 20 -14.153 -1.579 -1.605 1.00 0.00 C ATOM 249 O THR A 20 -13.161 -1.317 -2.284 1.00 0.00 O ATOM 250 CB THR A 20 -14.810 -0.189 0.439 1.00 0.00 C ATOM 251 OG1 THR A 20 -14.382 0.841 -0.449 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.282 0.254 1.805 1.00 0.00 C ATOM 0 H THR A 20 -12.063 -1.032 -0.285 1.00 0.00 H new ATOM 0 HA THR A 20 -14.636 -2.314 0.307 1.00 0.00 H new ATOM 0 HB THR A 20 -15.882 -0.375 0.507 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.792 1.691 -0.186 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.814 1.149 2.128 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.438 -0.543 2.531 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.217 0.473 1.730 1.00 0.00 H new ATOM 260 N GLU A 21 -15.313 -1.987 -2.097 1.00 0.00 N ATOM 261 CA GLU A 21 -15.501 -2.159 -3.527 1.00 0.00 C ATOM 262 C GLU A 21 -14.688 -1.117 -4.298 1.00 0.00 C ATOM 263 O GLU A 21 -14.059 -1.437 -5.306 1.00 0.00 O ATOM 264 CB GLU A 21 -16.983 -2.083 -3.899 1.00 0.00 C ATOM 265 CG GLU A 21 -17.321 -3.077 -5.012 1.00 0.00 C ATOM 266 CD GLU A 21 -18.357 -2.492 -5.974 1.00 0.00 C ATOM 267 OE1 GLU A 21 -19.262 -1.789 -5.474 1.00 0.00 O ATOM 268 OE2 GLU A 21 -18.221 -2.761 -7.187 1.00 0.00 O ATOM 0 H GLU A 21 -16.133 -2.204 -1.530 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.142 -3.150 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.593 -2.294 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.229 -1.072 -4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.415 -3.336 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.704 -4.000 -4.576 1.00 0.00 H new ATOM 275 N ALA A 22 -14.727 0.108 -3.796 1.00 0.00 N ATOM 276 CA ALA A 22 -14.001 1.199 -4.425 1.00 0.00 C ATOM 277 C ALA A 22 -12.500 0.995 -4.214 1.00 0.00 C ATOM 278 O ALA A 22 -11.764 0.740 -5.166 1.00 0.00 O ATOM 279 CB ALA A 22 -14.494 2.532 -3.860 1.00 0.00 C ATOM 0 H ALA A 22 -15.250 0.370 -2.960 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.183 1.213 -5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.950 3.350 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.560 2.641 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.324 2.556 -2.784 1.00 0.00 H new ATOM 285 N GLU A 23 -12.089 1.116 -2.960 1.00 0.00 N ATOM 286 CA GLU A 23 -10.688 0.948 -2.612 1.00 0.00 C ATOM 287 C GLU A 23 -10.132 -0.327 -3.248 1.00 0.00 C ATOM 288 O GLU A 23 -9.080 -0.300 -3.885 1.00 0.00 O ATOM 289 CB GLU A 23 -10.499 0.931 -1.094 1.00 0.00 C ATOM 290 CG GLU A 23 -9.911 2.255 -0.600 1.00 0.00 C ATOM 291 CD GLU A 23 -8.603 2.578 -1.325 1.00 0.00 C ATOM 292 OE1 GLU A 23 -7.757 1.661 -1.405 1.00 0.00 O ATOM 293 OE2 GLU A 23 -8.478 3.735 -1.782 1.00 0.00 O ATOM 0 H GLU A 23 -12.702 1.328 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.132 1.799 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.457 0.750 -0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.839 0.109 -0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.629 3.059 -0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.732 2.199 0.474 1.00 0.00 H new ATOM 300 N LEU A 24 -10.863 -1.415 -3.054 1.00 0.00 N ATOM 301 CA LEU A 24 -10.456 -2.698 -3.601 1.00 0.00 C ATOM 302 C LEU A 24 -9.897 -2.492 -5.010 1.00 0.00 C ATOM 303 O LEU A 24 -8.783 -2.921 -5.308 1.00 0.00 O ATOM 304 CB LEU A 24 -11.612 -3.698 -3.538 1.00 0.00 C ATOM 305 CG LEU A 24 -11.697 -4.546 -2.267 1.00 0.00 C ATOM 306 CD1 LEU A 24 -12.222 -3.720 -1.091 1.00 0.00 C ATOM 307 CD2 LEU A 24 -12.535 -5.804 -2.502 1.00 0.00 C ATOM 0 H LEU A 24 -11.735 -1.434 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.657 -3.132 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.547 -3.149 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.533 -4.369 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.690 -4.873 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.273 -4.346 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.551 -2.881 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.217 -3.343 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.579 -6.389 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.544 -5.519 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.080 -6.402 -3.291 1.00 0.00 H new ATOM 319 N VAL A 25 -10.695 -1.836 -5.839 1.00 0.00 N ATOM 320 CA VAL A 25 -10.294 -1.569 -7.210 1.00 0.00 C ATOM 321 C VAL A 25 -8.880 -0.985 -7.218 1.00 0.00 C ATOM 322 O VAL A 25 -8.048 -1.374 -8.036 1.00 0.00 O ATOM 323 CB VAL A 25 -11.320 -0.659 -7.888 1.00 0.00 C ATOM 324 CG1 VAL A 25 -10.798 -0.149 -9.232 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.661 -1.376 -8.057 1.00 0.00 C ATOM 0 H VAL A 25 -11.618 -1.481 -5.588 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.268 -2.493 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.480 0.204 -7.242 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.547 0.495 -9.692 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.880 0.417 -9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.595 -0.995 -9.888 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.373 -0.707 -8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.523 -2.266 -8.671 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.044 -1.667 -7.079 1.00 0.00 H new ATOM 335 N THR A 26 -8.651 -0.060 -6.297 1.00 0.00 N ATOM 336 CA THR A 26 -7.352 0.581 -6.187 1.00 0.00 C ATOM 337 C THR A 26 -6.345 -0.362 -5.525 1.00 0.00 C ATOM 338 O THR A 26 -5.192 -0.440 -5.946 1.00 0.00 O ATOM 339 CB THR A 26 -7.537 1.899 -5.433 1.00 0.00 C ATOM 340 OG1 THR A 26 -7.961 2.817 -6.437 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.212 2.480 -4.933 1.00 0.00 C ATOM 0 H THR A 26 -9.343 0.261 -5.620 1.00 0.00 H new ATOM 0 HA THR A 26 -6.939 0.808 -7.170 1.00 0.00 H new ATOM 0 HB THR A 26 -8.206 1.742 -4.587 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.106 3.698 -6.034 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.401 3.415 -4.405 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.736 1.771 -4.256 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.554 2.669 -5.781 1.00 0.00 H new ATOM 349 N ALA A 27 -6.818 -1.054 -4.499 1.00 0.00 N ATOM 350 CA ALA A 27 -5.974 -1.989 -3.774 1.00 0.00 C ATOM 351 C ALA A 27 -5.558 -3.125 -4.710 1.00 0.00 C ATOM 352 O ALA A 27 -4.564 -3.806 -4.462 1.00 0.00 O ATOM 353 CB ALA A 27 -6.719 -2.496 -2.538 1.00 0.00 C ATOM 0 H ALA A 27 -7.775 -0.986 -4.152 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.065 -1.497 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.086 -3.197 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.967 -1.654 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.636 -2.998 -2.846 1.00 0.00 H new ATOM 359 N GLU A 28 -6.339 -3.295 -5.767 1.00 0.00 N ATOM 360 CA GLU A 28 -6.063 -4.337 -6.742 1.00 0.00 C ATOM 361 C GLU A 28 -5.110 -3.817 -7.820 1.00 0.00 C ATOM 362 O GLU A 28 -4.248 -4.552 -8.298 1.00 0.00 O ATOM 363 CB GLU A 28 -7.359 -4.863 -7.363 1.00 0.00 C ATOM 364 CG GLU A 28 -7.982 -5.953 -6.489 1.00 0.00 C ATOM 365 CD GLU A 28 -7.683 -7.345 -7.050 1.00 0.00 C ATOM 366 OE1 GLU A 28 -6.491 -7.599 -7.330 1.00 0.00 O ATOM 367 OE2 GLU A 28 -8.652 -8.122 -7.187 1.00 0.00 O ATOM 0 H GLU A 28 -7.163 -2.729 -5.970 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.580 -5.169 -6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.066 -4.043 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.155 -5.261 -8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.594 -5.876 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.060 -5.805 -6.430 1.00 0.00 H new ATOM 374 N ALA A 29 -5.298 -2.553 -8.171 1.00 0.00 N ATOM 375 CA ALA A 29 -4.466 -1.926 -9.184 1.00 0.00 C ATOM 376 C ALA A 29 -3.026 -1.844 -8.675 1.00 0.00 C ATOM 377 O ALA A 29 -2.081 -2.027 -9.442 1.00 0.00 O ATOM 378 CB ALA A 29 -5.039 -0.552 -9.536 1.00 0.00 C ATOM 0 H ALA A 29 -6.014 -1.946 -7.772 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.460 -2.520 -10.098 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.415 -0.081 -10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.053 -0.668 -9.920 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.058 0.074 -8.644 1.00 0.00 H new ATOM 384 N VAL A 30 -2.902 -1.570 -7.385 1.00 0.00 N ATOM 385 CA VAL A 30 -1.593 -1.462 -6.765 1.00 0.00 C ATOM 386 C VAL A 30 -0.919 -2.836 -6.764 1.00 0.00 C ATOM 387 O VAL A 30 0.280 -2.943 -7.019 1.00 0.00 O ATOM 388 CB VAL A 30 -1.725 -0.860 -5.364 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.477 -1.144 -4.526 1.00 0.00 C ATOM 390 CG2 VAL A 30 -2.007 0.642 -5.438 1.00 0.00 C ATOM 0 H VAL A 30 -3.687 -1.419 -6.752 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.955 -0.787 -7.335 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.573 -1.336 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.596 -0.706 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.339 -2.221 -4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.395 -0.708 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.096 1.046 -4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.189 1.141 -5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.937 0.811 -5.980 1.00 0.00 H new ATOM 400 N ARG A 31 -1.718 -3.852 -6.474 1.00 0.00 N ATOM 401 CA ARG A 31 -1.214 -5.214 -6.437 1.00 0.00 C ATOM 402 C ARG A 31 -0.536 -5.565 -7.763 1.00 0.00 C ATOM 403 O ARG A 31 0.532 -6.176 -7.775 1.00 0.00 O ATOM 404 CB ARG A 31 -2.342 -6.212 -6.169 1.00 0.00 C ATOM 405 CG ARG A 31 -1.782 -7.595 -5.831 1.00 0.00 C ATOM 406 CD ARG A 31 -2.592 -8.257 -4.715 1.00 0.00 C ATOM 407 NE ARG A 31 -3.601 -9.171 -5.296 1.00 0.00 N ATOM 408 CZ ARG A 31 -4.117 -10.227 -4.652 1.00 0.00 C ATOM 409 NH1 ARG A 31 -3.724 -10.508 -3.403 1.00 0.00 N ATOM 410 NH2 ARG A 31 -5.028 -11.001 -5.258 1.00 0.00 N ATOM 0 H ARG A 31 -2.711 -3.759 -6.262 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.489 -5.277 -5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.960 -5.855 -5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.987 -6.281 -7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.799 -8.225 -6.720 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.740 -7.504 -5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.928 -8.810 -4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.084 -7.495 -4.111 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.924 -8.986 -6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.032 -9.918 -2.941 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.117 -11.312 -2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.328 -10.786 -6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.421 -11.805 -4.768 1.00 0.00 H new ATOM 424 N SER A 32 -1.184 -5.165 -8.847 1.00 0.00 N ATOM 425 CA SER A 32 -0.656 -5.430 -10.174 1.00 0.00 C ATOM 426 C SER A 32 0.729 -4.797 -10.323 1.00 0.00 C ATOM 427 O SER A 32 1.603 -5.356 -10.984 1.00 0.00 O ATOM 428 CB SER A 32 -1.600 -4.902 -11.257 1.00 0.00 C ATOM 429 OG SER A 32 -1.370 -5.527 -12.517 1.00 0.00 O ATOM 0 H SER A 32 -2.070 -4.659 -8.833 1.00 0.00 H new ATOM 0 HA SER A 32 -0.570 -6.509 -10.299 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.633 -5.071 -10.952 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.470 -3.825 -11.358 1.00 0.00 H new ATOM 0 HG SER A 32 -1.993 -5.164 -13.181 1.00 0.00 H new ATOM 435 N VAL A 33 0.885 -3.639 -9.699 1.00 0.00 N ATOM 436 CA VAL A 33 2.149 -2.924 -9.754 1.00 0.00 C ATOM 437 C VAL A 33 3.254 -3.803 -9.164 1.00 0.00 C ATOM 438 O VAL A 33 4.304 -3.984 -9.779 1.00 0.00 O ATOM 439 CB VAL A 33 2.018 -1.574 -9.046 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.310 -0.764 -9.167 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.824 -0.785 -9.587 1.00 0.00 C ATOM 0 H VAL A 33 0.157 -3.178 -9.153 1.00 0.00 H new ATOM 0 HA VAL A 33 2.421 -2.709 -10.787 1.00 0.00 H new ATOM 0 HB VAL A 33 1.841 -1.766 -7.988 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.190 0.191 -8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.131 -1.319 -8.713 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.531 -0.586 -10.220 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.753 0.170 -9.067 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.958 -0.608 -10.654 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.091 -1.354 -9.426 1.00 0.00 H new ATOM 451 N TRP A 34 2.979 -4.328 -7.978 1.00 0.00 N ATOM 452 CA TRP A 34 3.936 -5.184 -7.298 1.00 0.00 C ATOM 453 C TRP A 34 4.279 -6.345 -8.234 1.00 0.00 C ATOM 454 O TRP A 34 5.438 -6.526 -8.604 1.00 0.00 O ATOM 455 CB TRP A 34 3.392 -5.647 -5.945 1.00 0.00 C ATOM 456 CG TRP A 34 3.413 -4.565 -4.863 1.00 0.00 C ATOM 457 CD1 TRP A 34 3.157 -3.257 -5.000 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.716 -4.753 -3.465 1.00 0.00 C ATOM 459 NE1 TRP A 34 3.273 -2.590 -3.797 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.624 -3.529 -2.834 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.058 -5.918 -2.757 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.859 -3.353 -1.465 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.289 -5.725 -1.390 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.200 -4.500 -0.739 1.00 0.00 C ATOM 0 H TRP A 34 2.107 -4.177 -7.471 1.00 0.00 H new ATOM 0 HA TRP A 34 4.851 -4.637 -7.072 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.367 -5.995 -6.077 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.977 -6.501 -5.602 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.893 -2.784 -5.934 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.128 -1.592 -3.643 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.136 -6.886 -3.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.781 -2.384 -0.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.555 -6.589 -0.799 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.393 -4.434 0.322 1.00 0.00 H new ATOM 475 N GLN A 35 3.251 -7.101 -8.589 1.00 0.00 N ATOM 476 CA GLN A 35 3.429 -8.239 -9.474 1.00 0.00 C ATOM 477 C GLN A 35 4.171 -7.814 -10.743 1.00 0.00 C ATOM 478 O GLN A 35 5.228 -8.357 -11.060 1.00 0.00 O ATOM 479 CB GLN A 35 2.085 -8.885 -9.815 1.00 0.00 C ATOM 480 CG GLN A 35 1.440 -9.498 -8.570 1.00 0.00 C ATOM 481 CD GLN A 35 1.650 -11.014 -8.534 1.00 0.00 C ATOM 482 OE1 GLN A 35 2.905 -11.380 -8.291 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 0.733 -11.798 -8.715 1.00 0.00 N flip ATOM 0 H GLN A 35 2.291 -6.948 -8.280 1.00 0.00 H new ATOM 0 HA GLN A 35 4.032 -8.985 -8.957 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.417 -8.138 -10.245 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.230 -9.656 -10.571 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.868 -9.047 -7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.373 -9.275 -8.561 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.208 -11.449 -8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.907 -12.803 -8.684 1.00 0.00 H new ATOM 492 N ARG A 36 3.587 -6.847 -11.435 1.00 0.00 N ATOM 493 CA ARG A 36 4.179 -6.343 -12.663 1.00 0.00 C ATOM 494 C ARG A 36 5.676 -6.098 -12.468 1.00 0.00 C ATOM 495 O ARG A 36 6.477 -6.390 -13.355 1.00 0.00 O ATOM 496 CB ARG A 36 3.509 -5.039 -13.102 1.00 0.00 C ATOM 497 CG ARG A 36 2.235 -5.320 -13.901 1.00 0.00 C ATOM 498 CD ARG A 36 1.778 -4.072 -14.660 1.00 0.00 C ATOM 499 NE ARG A 36 1.493 -4.413 -16.071 1.00 0.00 N ATOM 500 CZ ARG A 36 2.422 -4.814 -16.950 1.00 0.00 C ATOM 501 NH1 ARG A 36 3.702 -4.925 -16.567 1.00 0.00 N ATOM 502 NH2 ARG A 36 2.072 -5.103 -18.210 1.00 0.00 N ATOM 0 H ARG A 36 2.710 -6.399 -11.169 1.00 0.00 H new ATOM 0 HA ARG A 36 4.028 -7.095 -13.438 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.268 -4.437 -12.226 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.202 -4.456 -13.709 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.415 -6.133 -14.605 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.444 -5.650 -13.227 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.886 -3.657 -14.190 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.550 -3.304 -14.612 1.00 0.00 H new ATOM 0 HE ARG A 36 0.529 -4.338 -16.395 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.968 -4.704 -15.607 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.410 -5.230 -17.235 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.098 -5.018 -18.501 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.779 -5.408 -18.879 1.00 0.00 H new ATOM 516 N ILE A 37 6.010 -5.565 -11.302 1.00 0.00 N ATOM 517 CA ILE A 37 7.398 -5.278 -10.980 1.00 0.00 C ATOM 518 C ILE A 37 8.113 -6.581 -10.618 1.00 0.00 C ATOM 519 O ILE A 37 8.972 -7.049 -11.363 1.00 0.00 O ATOM 520 CB ILE A 37 7.484 -4.206 -9.891 1.00 0.00 C ATOM 521 CG1 ILE A 37 6.985 -2.856 -10.410 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.902 -4.114 -9.324 1.00 0.00 C ATOM 523 CD1 ILE A 37 7.031 -1.795 -9.309 1.00 0.00 C ATOM 0 H ILE A 37 5.343 -5.324 -10.568 1.00 0.00 H new ATOM 0 HA ILE A 37 7.912 -4.862 -11.846 1.00 0.00 H new ATOM 0 HB ILE A 37 6.828 -4.498 -9.071 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.598 -2.537 -11.253 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.964 -2.959 -10.779 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.936 -3.345 -8.552 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.184 -5.074 -8.892 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.597 -3.857 -10.123 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.671 -0.845 -9.704 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.398 -2.106 -8.478 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.057 -1.677 -8.960 1.00 0.00 H new ATOM 535 N LEU A 38 7.731 -7.131 -9.475 1.00 0.00 N ATOM 536 CA LEU A 38 8.325 -8.371 -9.005 1.00 0.00 C ATOM 537 C LEU A 38 8.049 -9.481 -10.022 1.00 0.00 C ATOM 538 O LEU A 38 6.907 -9.908 -10.184 1.00 0.00 O ATOM 539 CB LEU A 38 7.838 -8.697 -7.592 1.00 0.00 C ATOM 540 CG LEU A 38 8.070 -7.614 -6.536 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.174 -7.836 -5.316 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.549 -7.529 -6.153 1.00 0.00 C ATOM 0 H LEU A 38 7.017 -6.740 -8.860 1.00 0.00 H new ATOM 0 HA LEU A 38 9.408 -8.270 -8.928 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.770 -8.910 -7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.331 -9.611 -7.261 1.00 0.00 H new ATOM 0 HG LEU A 38 7.793 -6.652 -6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.359 -7.052 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.128 -7.806 -5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.395 -8.807 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.686 -6.752 -5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.876 -8.487 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.140 -7.288 -7.036 1.00 0.00 H new ATOM 554 N PRO A 39 9.142 -9.927 -10.697 1.00 0.00 N ATOM 555 CA PRO A 39 9.029 -10.978 -11.693 1.00 0.00 C ATOM 556 C PRO A 39 8.838 -12.344 -11.029 1.00 0.00 C ATOM 557 O PRO A 39 7.756 -12.924 -11.094 1.00 0.00 O ATOM 558 CB PRO A 39 10.308 -10.887 -12.508 1.00 0.00 C ATOM 559 CG PRO A 39 11.291 -10.102 -11.655 1.00 0.00 C ATOM 560 CD PRO A 39 10.510 -9.443 -10.530 1.00 0.00 C ATOM 0 HA PRO A 39 8.155 -10.858 -12.334 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.696 -11.879 -12.738 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.130 -10.386 -13.460 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.058 -10.763 -11.251 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.802 -9.350 -12.256 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.911 -9.718 -9.555 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.557 -8.356 -10.599 1.00 0.00 H new ATOM 568 N LYS A 40 9.907 -12.817 -10.406 1.00 0.00 N ATOM 569 CA LYS A 40 9.872 -14.104 -9.732 1.00 0.00 C ATOM 570 C LYS A 40 8.539 -14.252 -8.995 1.00 0.00 C ATOM 571 O LYS A 40 7.928 -15.320 -9.017 1.00 0.00 O ATOM 572 CB LYS A 40 11.095 -14.269 -8.828 1.00 0.00 C ATOM 573 CG LYS A 40 12.091 -15.262 -9.429 1.00 0.00 C ATOM 574 CD LYS A 40 12.783 -16.076 -8.334 1.00 0.00 C ATOM 575 CE LYS A 40 12.693 -17.576 -8.625 1.00 0.00 C ATOM 576 NZ LYS A 40 12.683 -18.349 -7.363 1.00 0.00 N ATOM 0 H LYS A 40 10.803 -12.332 -10.354 1.00 0.00 H new ATOM 0 HA LYS A 40 9.929 -14.916 -10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.580 -13.303 -8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.780 -14.615 -7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.572 -15.933 -10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.837 -14.725 -10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.829 -15.778 -8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.322 -15.861 -7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.789 -17.788 -9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.538 -17.884 -9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.622 -19.365 -7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.558 -18.160 -6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.863 -18.067 -6.789 1.00 0.00 H new ATOM 590 N VAL A 41 8.126 -13.164 -8.360 1.00 0.00 N ATOM 591 CA VAL A 41 6.877 -13.160 -7.619 1.00 0.00 C ATOM 592 C VAL A 41 5.724 -13.497 -8.567 1.00 0.00 C ATOM 593 O VAL A 41 5.439 -12.742 -9.496 1.00 0.00 O ATOM 594 CB VAL A 41 6.694 -11.817 -6.910 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.321 -11.732 -6.241 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.814 -11.575 -5.895 1.00 0.00 C ATOM 0 H VAL A 41 8.635 -12.280 -8.344 1.00 0.00 H new ATOM 0 HA VAL A 41 6.892 -13.924 -6.842 1.00 0.00 H new ATOM 0 HB VAL A 41 6.749 -11.031 -7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.217 -10.767 -5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.541 -11.837 -6.996 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.224 -12.531 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.660 -10.613 -5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.805 -12.368 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.776 -11.571 -6.408 1.00 0.00 H new ATOM 606 N LEU A 42 5.093 -14.631 -8.301 1.00 0.00 N ATOM 607 CA LEU A 42 3.978 -15.076 -9.119 1.00 0.00 C ATOM 608 C LEU A 42 2.665 -14.635 -8.468 1.00 0.00 C ATOM 609 O LEU A 42 1.662 -14.442 -9.154 1.00 0.00 O ATOM 610 CB LEU A 42 4.065 -16.584 -9.368 1.00 0.00 C ATOM 611 CG LEU A 42 5.103 -17.035 -10.397 1.00 0.00 C ATOM 612 CD1 LEU A 42 6.200 -17.874 -9.739 1.00 0.00 C ATOM 613 CD2 LEU A 42 4.437 -17.772 -11.561 1.00 0.00 C ATOM 0 H LEU A 42 5.333 -15.255 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 42 4.018 -14.610 -10.104 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.284 -17.077 -8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.085 -16.936 -9.691 1.00 0.00 H new ATOM 0 HG LEU A 42 5.582 -16.147 -10.810 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.925 -18.181 -10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.702 -17.281 -8.974 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.756 -18.758 -9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.197 -18.082 -12.278 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.914 -18.651 -11.184 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.724 -17.109 -12.051 1.00 0.00 H new ATOM 625 N GLU A 43 2.714 -14.489 -7.153 1.00 0.00 N ATOM 626 CA GLU A 43 1.541 -14.074 -6.402 1.00 0.00 C ATOM 627 C GLU A 43 1.939 -13.102 -5.289 1.00 0.00 C ATOM 628 O GLU A 43 2.958 -13.294 -4.628 1.00 0.00 O ATOM 629 CB GLU A 43 0.798 -15.285 -5.833 1.00 0.00 C ATOM 630 CG GLU A 43 -0.262 -14.850 -4.818 1.00 0.00 C ATOM 631 CD GLU A 43 -1.582 -15.588 -5.054 1.00 0.00 C ATOM 632 OE1 GLU A 43 -1.624 -16.793 -4.727 1.00 0.00 O ATOM 633 OE2 GLU A 43 -2.518 -14.929 -5.556 1.00 0.00 O ATOM 0 H GLU A 43 3.547 -14.651 -6.588 1.00 0.00 H new ATOM 0 HA GLU A 43 0.862 -13.559 -7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.325 -15.840 -6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.508 -15.961 -5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.094 -15.048 -3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.424 -13.775 -4.894 1.00 0.00 H new ATOM 640 N VAL A 44 1.114 -12.080 -5.117 1.00 0.00 N ATOM 641 CA VAL A 44 1.367 -11.078 -4.096 1.00 0.00 C ATOM 642 C VAL A 44 0.290 -11.175 -3.014 1.00 0.00 C ATOM 643 O VAL A 44 -0.882 -10.905 -3.274 1.00 0.00 O ATOM 644 CB VAL A 44 1.450 -9.690 -4.734 1.00 0.00 C ATOM 645 CG1 VAL A 44 0.982 -8.608 -3.758 1.00 0.00 C ATOM 646 CG2 VAL A 44 2.866 -9.400 -5.236 1.00 0.00 C ATOM 0 H VAL A 44 0.270 -11.924 -5.668 1.00 0.00 H new ATOM 0 HA VAL A 44 2.328 -11.258 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 44 0.781 -9.677 -5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.051 -7.631 -4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.052 -8.799 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.613 -8.622 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.897 -8.407 -5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.564 -9.442 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.147 -10.144 -5.981 1.00 0.00 H new ATOM 656 N GLU A 45 0.725 -11.561 -1.824 1.00 0.00 N ATOM 657 CA GLU A 45 -0.188 -11.697 -0.701 1.00 0.00 C ATOM 658 C GLU A 45 -0.045 -10.505 0.246 1.00 0.00 C ATOM 659 O GLU A 45 0.721 -9.581 -0.023 1.00 0.00 O ATOM 660 CB GLU A 45 0.045 -13.016 0.038 1.00 0.00 C ATOM 661 CG GLU A 45 1.533 -13.226 0.330 1.00 0.00 C ATOM 662 CD GLU A 45 2.181 -14.112 -0.736 1.00 0.00 C ATOM 663 OE1 GLU A 45 1.666 -14.100 -1.875 1.00 0.00 O ATOM 664 OE2 GLU A 45 3.176 -14.783 -0.387 1.00 0.00 O ATOM 0 H GLU A 45 1.698 -11.784 -1.612 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.208 -11.710 -1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.516 -13.018 0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.332 -13.844 -0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.040 -12.262 0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.654 -13.684 1.312 1.00 0.00 H new ATOM 671 N ASP A 46 -0.796 -10.563 1.337 1.00 0.00 N ATOM 672 CA ASP A 46 -0.762 -9.499 2.326 1.00 0.00 C ATOM 673 C ASP A 46 0.492 -9.651 3.190 1.00 0.00 C ATOM 674 O ASP A 46 0.917 -8.701 3.845 1.00 0.00 O ATOM 675 CB ASP A 46 -1.982 -9.566 3.248 1.00 0.00 C ATOM 676 CG ASP A 46 -2.173 -10.900 3.972 1.00 0.00 C ATOM 677 OD1 ASP A 46 -1.184 -11.363 4.579 1.00 0.00 O ATOM 678 OD2 ASP A 46 -3.305 -11.426 3.902 1.00 0.00 O ATOM 0 H ASP A 46 -1.431 -11.330 1.557 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.761 -8.546 1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.900 -8.774 3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.875 -9.358 2.659 1.00 0.00 H new ATOM 683 N SER A 47 1.048 -10.853 3.163 1.00 0.00 N ATOM 684 CA SER A 47 2.245 -11.141 3.935 1.00 0.00 C ATOM 685 C SER A 47 3.483 -11.030 3.043 1.00 0.00 C ATOM 686 O SER A 47 4.606 -11.221 3.507 1.00 0.00 O ATOM 687 CB SER A 47 2.170 -12.532 4.568 1.00 0.00 C ATOM 688 OG SER A 47 3.355 -12.854 5.291 1.00 0.00 O ATOM 0 H SER A 47 0.692 -11.639 2.619 1.00 0.00 H new ATOM 0 HA SER A 47 2.318 -10.409 4.739 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.312 -12.579 5.239 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.007 -13.277 3.789 1.00 0.00 H new ATOM 0 HG SER A 47 4.124 -12.417 4.870 1.00 0.00 H new ATOM 694 N THR A 48 3.236 -10.721 1.778 1.00 0.00 N ATOM 695 CA THR A 48 4.317 -10.582 0.817 1.00 0.00 C ATOM 696 C THR A 48 5.048 -9.254 1.025 1.00 0.00 C ATOM 697 O THR A 48 4.440 -8.188 0.950 1.00 0.00 O ATOM 698 CB THR A 48 3.725 -10.736 -0.585 1.00 0.00 C ATOM 699 OG1 THR A 48 3.947 -12.106 -0.907 1.00 0.00 O ATOM 700 CG2 THR A 48 4.521 -9.970 -1.644 1.00 0.00 C ATOM 0 H THR A 48 2.303 -10.563 1.397 1.00 0.00 H new ATOM 0 HA THR A 48 5.071 -11.357 0.955 1.00 0.00 H new ATOM 0 HB THR A 48 2.693 -10.386 -0.584 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.740 -12.258 -1.853 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.059 -10.113 -2.621 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.527 -8.908 -1.397 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.545 -10.343 -1.669 1.00 0.00 H new ATOM 708 N ASP A 49 6.343 -9.363 1.284 1.00 0.00 N ATOM 709 CA ASP A 49 7.164 -8.184 1.504 1.00 0.00 C ATOM 710 C ASP A 49 7.717 -7.696 0.163 1.00 0.00 C ATOM 711 O ASP A 49 8.342 -8.461 -0.570 1.00 0.00 O ATOM 712 CB ASP A 49 8.349 -8.502 2.417 1.00 0.00 C ATOM 713 CG ASP A 49 8.718 -7.394 3.406 1.00 0.00 C ATOM 714 OD1 ASP A 49 8.151 -7.415 4.520 1.00 0.00 O ATOM 715 OD2 ASP A 49 9.559 -6.551 3.026 1.00 0.00 O ATOM 0 H ASP A 49 6.844 -10.249 1.346 1.00 0.00 H new ATOM 0 HA ASP A 49 6.542 -7.422 1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.123 -9.409 2.978 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.219 -8.719 1.797 1.00 0.00 H new ATOM 720 N PHE A 50 7.468 -6.426 -0.116 1.00 0.00 N ATOM 721 CA PHE A 50 7.933 -5.827 -1.355 1.00 0.00 C ATOM 722 C PHE A 50 9.444 -6.008 -1.518 1.00 0.00 C ATOM 723 O PHE A 50 9.933 -6.198 -2.631 1.00 0.00 O ATOM 724 CB PHE A 50 7.616 -4.332 -1.277 1.00 0.00 C ATOM 725 CG PHE A 50 7.983 -3.550 -2.540 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.462 -3.917 -3.741 1.00 0.00 C ATOM 727 CD2 PHE A 50 8.829 -2.489 -2.461 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.802 -3.192 -4.914 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.170 -1.764 -3.633 1.00 0.00 C ATOM 730 CZ PHE A 50 8.649 -2.130 -4.835 1.00 0.00 C ATOM 0 H PHE A 50 6.950 -5.794 0.495 1.00 0.00 H new ATOM 0 HA PHE A 50 7.443 -6.303 -2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.551 -4.207 -1.081 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.149 -3.902 -0.429 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.790 -4.760 -3.803 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.242 -2.197 -1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.388 -3.483 -5.868 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.843 -0.922 -3.570 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.908 -1.578 -5.726 1.00 0.00 H new ATOM 740 N PHE A 51 10.140 -5.942 -0.393 1.00 0.00 N ATOM 741 CA PHE A 51 11.585 -6.096 -0.397 1.00 0.00 C ATOM 742 C PHE A 51 11.979 -7.566 -0.554 1.00 0.00 C ATOM 743 O PHE A 51 12.685 -7.926 -1.495 1.00 0.00 O ATOM 744 CB PHE A 51 12.093 -5.585 0.952 1.00 0.00 C ATOM 745 CG PHE A 51 11.746 -4.122 1.235 1.00 0.00 C ATOM 746 CD1 PHE A 51 11.701 -3.224 0.214 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.482 -3.719 2.507 1.00 0.00 C ATOM 748 CE1 PHE A 51 11.379 -1.866 0.476 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.160 -2.361 2.769 1.00 0.00 C ATOM 750 CZ PHE A 51 11.115 -1.463 1.748 1.00 0.00 C ATOM 0 H PHE A 51 9.730 -5.784 0.528 1.00 0.00 H new ATOM 0 HA PHE A 51 12.016 -5.541 -1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.676 -6.206 1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.176 -5.705 0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 51 11.910 -3.544 -0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.517 -4.432 3.318 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.344 -1.153 -0.335 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.951 -2.041 3.779 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.870 -0.430 1.947 1.00 0.00 H new ATOM 760 N LYS A 52 11.506 -8.375 0.382 1.00 0.00 N ATOM 761 CA LYS A 52 11.800 -9.798 0.360 1.00 0.00 C ATOM 762 C LYS A 52 11.693 -10.314 -1.076 1.00 0.00 C ATOM 763 O LYS A 52 12.573 -11.033 -1.548 1.00 0.00 O ATOM 764 CB LYS A 52 10.905 -10.546 1.350 1.00 0.00 C ATOM 765 CG LYS A 52 11.088 -10.007 2.770 1.00 0.00 C ATOM 766 CD LYS A 52 11.973 -10.939 3.600 1.00 0.00 C ATOM 767 CE LYS A 52 13.204 -10.200 4.128 1.00 0.00 C ATOM 768 NZ LYS A 52 14.291 -10.221 3.125 1.00 0.00 N ATOM 0 H LYS A 52 10.921 -8.072 1.161 1.00 0.00 H new ATOM 0 HA LYS A 52 12.823 -9.980 0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.862 -10.445 1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.142 -11.610 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.535 -9.014 2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.115 -9.900 3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.400 -11.342 4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.287 -11.787 2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.942 -9.169 4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.546 -10.665 5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.193 -9.982 3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.357 -11.170 2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.088 -9.526 2.379 1.00 0.00 H new ATOM 782 N SER A 53 10.609 -9.926 -1.732 1.00 0.00 N ATOM 783 CA SER A 53 10.376 -10.341 -3.105 1.00 0.00 C ATOM 784 C SER A 53 11.665 -10.205 -3.918 1.00 0.00 C ATOM 785 O SER A 53 12.363 -11.191 -4.151 1.00 0.00 O ATOM 786 CB SER A 53 9.255 -9.519 -3.746 1.00 0.00 C ATOM 787 OG SER A 53 7.969 -9.916 -3.279 1.00 0.00 O ATOM 0 H SER A 53 9.882 -9.329 -1.338 1.00 0.00 H new ATOM 0 HA SER A 53 10.066 -11.386 -3.099 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.410 -8.462 -3.528 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.298 -9.630 -4.829 1.00 0.00 H new ATOM 0 HG SER A 53 7.838 -9.589 -2.364 1.00 0.00 H new ATOM 793 N GLY A 54 11.942 -8.976 -4.328 1.00 0.00 N ATOM 794 CA GLY A 54 13.135 -8.699 -5.110 1.00 0.00 C ATOM 795 C GLY A 54 13.108 -7.273 -5.665 1.00 0.00 C ATOM 796 O GLY A 54 13.488 -7.042 -6.811 1.00 0.00 O ATOM 0 H GLY A 54 11.361 -8.161 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.021 -8.835 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.209 -9.411 -5.932 1.00 0.00 H new ATOM 800 N ALA A 55 12.655 -6.355 -4.825 1.00 0.00 N ATOM 801 CA ALA A 55 12.573 -4.958 -5.216 1.00 0.00 C ATOM 802 C ALA A 55 13.904 -4.268 -4.908 1.00 0.00 C ATOM 803 O ALA A 55 14.424 -4.381 -3.800 1.00 0.00 O ATOM 804 CB ALA A 55 11.394 -4.295 -4.502 1.00 0.00 C ATOM 0 H ALA A 55 12.341 -6.551 -3.875 1.00 0.00 H new ATOM 0 HA ALA A 55 12.395 -4.870 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.333 -3.247 -4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.470 -4.803 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.538 -4.362 -3.424 1.00 0.00 H new ATOM 810 N ALA A 56 14.417 -3.568 -5.910 1.00 0.00 N ATOM 811 CA ALA A 56 15.676 -2.860 -5.760 1.00 0.00 C ATOM 812 C ALA A 56 15.410 -1.473 -5.171 1.00 0.00 C ATOM 813 O ALA A 56 14.333 -1.220 -4.634 1.00 0.00 O ATOM 814 CB ALA A 56 16.388 -2.792 -7.113 1.00 0.00 C ATOM 0 H ALA A 56 13.983 -3.477 -6.829 1.00 0.00 H new ATOM 0 HA ALA A 56 16.334 -3.390 -5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.333 -2.261 -7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.581 -3.802 -7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.758 -2.265 -7.829 1.00 0.00 H new ATOM 820 N SER A 57 16.410 -0.612 -5.291 1.00 0.00 N ATOM 821 CA SER A 57 16.297 0.742 -4.776 1.00 0.00 C ATOM 822 C SER A 57 15.531 1.617 -5.770 1.00 0.00 C ATOM 823 O SER A 57 15.107 2.721 -5.432 1.00 0.00 O ATOM 824 CB SER A 57 17.677 1.341 -4.496 1.00 0.00 C ATOM 825 OG SER A 57 18.545 1.232 -5.620 1.00 0.00 O ATOM 0 H SER A 57 17.302 -0.826 -5.737 1.00 0.00 H new ATOM 0 HA SER A 57 15.748 0.706 -3.835 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.568 2.391 -4.223 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.125 0.834 -3.641 1.00 0.00 H new ATOM 0 HG SER A 57 19.415 1.627 -5.401 1.00 0.00 H new ATOM 831 N VAL A 58 15.377 1.091 -6.977 1.00 0.00 N ATOM 832 CA VAL A 58 14.669 1.811 -8.022 1.00 0.00 C ATOM 833 C VAL A 58 13.177 1.480 -7.942 1.00 0.00 C ATOM 834 O VAL A 58 12.334 2.364 -8.078 1.00 0.00 O ATOM 835 CB VAL A 58 15.281 1.487 -9.386 1.00 0.00 C ATOM 836 CG1 VAL A 58 16.801 1.346 -9.286 1.00 0.00 C ATOM 837 CG2 VAL A 58 14.652 0.228 -9.985 1.00 0.00 C ATOM 0 H VAL A 58 15.730 0.175 -7.254 1.00 0.00 H new ATOM 0 HA VAL A 58 14.771 2.887 -7.882 1.00 0.00 H new ATOM 0 HB VAL A 58 15.065 2.320 -10.055 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.211 1.116 -10.270 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.230 2.280 -8.924 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.047 0.541 -8.593 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.105 0.021 -10.954 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.822 -0.617 -9.317 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.580 0.381 -10.111 1.00 0.00 H new ATOM 847 N ASP A 59 12.898 0.203 -7.723 1.00 0.00 N ATOM 848 CA ASP A 59 11.522 -0.255 -7.624 1.00 0.00 C ATOM 849 C ASP A 59 10.770 0.618 -6.618 1.00 0.00 C ATOM 850 O ASP A 59 9.638 1.028 -6.871 1.00 0.00 O ATOM 851 CB ASP A 59 11.459 -1.703 -7.134 1.00 0.00 C ATOM 852 CG ASP A 59 12.107 -2.730 -8.065 1.00 0.00 C ATOM 853 OD1 ASP A 59 13.296 -2.526 -8.395 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.400 -3.695 -8.426 1.00 0.00 O ATOM 0 H ASP A 59 13.600 -0.528 -7.611 1.00 0.00 H new ATOM 0 HA ASP A 59 11.072 -0.189 -8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.943 -1.762 -6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.414 -1.976 -6.988 1.00 0.00 H new ATOM 859 N VAL A 60 11.428 0.875 -5.497 1.00 0.00 N ATOM 860 CA VAL A 60 10.835 1.692 -4.451 1.00 0.00 C ATOM 861 C VAL A 60 10.210 2.940 -5.078 1.00 0.00 C ATOM 862 O VAL A 60 9.044 3.244 -4.833 1.00 0.00 O ATOM 863 CB VAL A 60 11.883 2.018 -3.385 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.365 3.083 -2.416 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.313 0.757 -2.634 1.00 0.00 C ATOM 0 H VAL A 60 12.366 0.532 -5.290 1.00 0.00 H new ATOM 0 HA VAL A 60 10.037 1.148 -3.946 1.00 0.00 H new ATOM 0 HB VAL A 60 12.760 2.422 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.129 3.297 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.132 3.994 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.465 2.718 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.058 1.017 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.446 0.311 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.741 0.043 -3.337 1.00 0.00 H new ATOM 875 N VAL A 61 11.014 3.629 -5.874 1.00 0.00 N ATOM 876 CA VAL A 61 10.555 4.838 -6.537 1.00 0.00 C ATOM 877 C VAL A 61 9.477 4.474 -7.560 1.00 0.00 C ATOM 878 O VAL A 61 8.493 5.197 -7.715 1.00 0.00 O ATOM 879 CB VAL A 61 11.742 5.578 -7.156 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.337 6.984 -7.605 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.922 5.632 -6.185 1.00 0.00 C ATOM 0 H VAL A 61 11.981 3.373 -6.075 1.00 0.00 H new ATOM 0 HA VAL A 61 10.103 5.521 -5.818 1.00 0.00 H new ATOM 0 HB VAL A 61 12.060 5.022 -8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.199 7.489 -8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.543 6.914 -8.348 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.981 7.552 -6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.752 6.163 -6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.622 6.153 -5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.235 4.618 -5.936 1.00 0.00 H new ATOM 891 N ARG A 62 9.699 3.355 -8.233 1.00 0.00 N ATOM 892 CA ARG A 62 8.759 2.886 -9.238 1.00 0.00 C ATOM 893 C ARG A 62 7.384 2.651 -8.609 1.00 0.00 C ATOM 894 O ARG A 62 6.415 3.325 -8.957 1.00 0.00 O ATOM 895 CB ARG A 62 9.245 1.588 -9.884 1.00 0.00 C ATOM 896 CG ARG A 62 9.017 1.610 -11.397 1.00 0.00 C ATOM 897 CD ARG A 62 9.719 0.431 -12.075 1.00 0.00 C ATOM 898 NE ARG A 62 8.832 -0.165 -13.098 1.00 0.00 N ATOM 899 CZ ARG A 62 8.550 0.410 -14.275 1.00 0.00 C ATOM 900 NH1 ARG A 62 9.084 1.599 -14.585 1.00 0.00 N ATOM 901 NH2 ARG A 62 7.735 -0.205 -15.143 1.00 0.00 N ATOM 0 H ARG A 62 10.516 2.759 -8.102 1.00 0.00 H new ATOM 0 HA ARG A 62 8.685 3.655 -10.007 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.305 1.448 -9.674 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.719 0.740 -9.446 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.948 1.572 -11.608 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.390 2.547 -11.811 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.647 0.767 -12.537 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.987 -0.320 -11.332 1.00 0.00 H new ATOM 0 HE ARG A 62 8.409 -1.070 -12.895 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.705 2.067 -13.925 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.869 2.037 -15.481 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.329 -1.111 -14.908 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.520 0.233 -16.039 1.00 0.00 H new ATOM 915 N LEU A 63 7.343 1.694 -7.694 1.00 0.00 N ATOM 916 CA LEU A 63 6.102 1.361 -7.014 1.00 0.00 C ATOM 917 C LEU A 63 5.423 2.649 -6.543 1.00 0.00 C ATOM 918 O LEU A 63 4.223 2.831 -6.744 1.00 0.00 O ATOM 919 CB LEU A 63 6.361 0.356 -5.890 1.00 0.00 C ATOM 920 CG LEU A 63 5.417 0.437 -4.688 1.00 0.00 C ATOM 921 CD1 LEU A 63 3.982 0.095 -5.093 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.914 -0.445 -3.541 1.00 0.00 C ATOM 0 H LEU A 63 8.149 1.138 -7.407 1.00 0.00 H new ATOM 0 HA LEU A 63 5.412 0.868 -7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.301 -0.649 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.382 0.493 -5.535 1.00 0.00 H new ATOM 0 HG LEU A 63 5.413 1.465 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.332 0.160 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.641 0.798 -5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.949 -0.918 -5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.226 -0.369 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.966 -1.481 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.905 -0.114 -3.230 1.00 0.00 H new ATOM 934 N VAL A 64 6.220 3.509 -5.926 1.00 0.00 N ATOM 935 CA VAL A 64 5.711 4.774 -5.425 1.00 0.00 C ATOM 936 C VAL A 64 5.211 5.619 -6.599 1.00 0.00 C ATOM 937 O VAL A 64 4.100 6.145 -6.561 1.00 0.00 O ATOM 938 CB VAL A 64 6.786 5.480 -4.597 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.267 6.809 -4.043 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.292 4.576 -3.471 1.00 0.00 C ATOM 0 H VAL A 64 7.215 3.354 -5.762 1.00 0.00 H new ATOM 0 HA VAL A 64 4.864 4.607 -4.760 1.00 0.00 H new ATOM 0 HB VAL A 64 7.627 5.698 -5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.051 7.290 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.979 7.460 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.401 6.625 -3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.055 5.102 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.462 4.313 -2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.719 3.668 -3.897 1.00 0.00 H new ATOM 950 N GLU A 65 6.055 5.721 -7.615 1.00 0.00 N ATOM 951 CA GLU A 65 5.712 6.492 -8.798 1.00 0.00 C ATOM 952 C GLU A 65 4.434 5.945 -9.437 1.00 0.00 C ATOM 953 O GLU A 65 3.540 6.709 -9.798 1.00 0.00 O ATOM 954 CB GLU A 65 6.867 6.499 -9.802 1.00 0.00 C ATOM 955 CG GLU A 65 7.941 7.511 -9.396 1.00 0.00 C ATOM 956 CD GLU A 65 7.887 8.754 -10.286 1.00 0.00 C ATOM 957 OE1 GLU A 65 8.144 8.594 -11.499 1.00 0.00 O ATOM 958 OE2 GLU A 65 7.590 9.835 -9.734 1.00 0.00 O ATOM 0 H GLU A 65 6.976 5.283 -7.644 1.00 0.00 H new ATOM 0 HA GLU A 65 5.531 7.523 -8.495 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.306 5.503 -9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.489 6.743 -10.795 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.799 7.799 -8.354 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.926 7.050 -9.468 1.00 0.00 H new ATOM 965 N GLU A 66 4.389 4.626 -9.557 1.00 0.00 N ATOM 966 CA GLU A 66 3.235 3.968 -10.146 1.00 0.00 C ATOM 967 C GLU A 66 1.974 4.283 -9.339 1.00 0.00 C ATOM 968 O GLU A 66 0.991 4.780 -9.885 1.00 0.00 O ATOM 969 CB GLU A 66 3.458 2.458 -10.248 1.00 0.00 C ATOM 970 CG GLU A 66 4.554 2.132 -11.265 1.00 0.00 C ATOM 971 CD GLU A 66 4.151 0.947 -12.145 1.00 0.00 C ATOM 972 OE1 GLU A 66 3.005 0.975 -12.644 1.00 0.00 O ATOM 973 OE2 GLU A 66 4.997 0.040 -12.298 1.00 0.00 O ATOM 0 H GLU A 66 5.133 3.996 -9.257 1.00 0.00 H new ATOM 0 HA GLU A 66 3.100 4.351 -11.157 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.734 2.061 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.529 1.969 -10.540 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.747 3.004 -11.890 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.483 1.902 -10.743 1.00 0.00 H new ATOM 980 N VAL A 67 2.045 3.982 -8.050 1.00 0.00 N ATOM 981 CA VAL A 67 0.922 4.227 -7.162 1.00 0.00 C ATOM 982 C VAL A 67 0.548 5.709 -7.216 1.00 0.00 C ATOM 983 O VAL A 67 -0.587 6.078 -6.919 1.00 0.00 O ATOM 984 CB VAL A 67 1.258 3.746 -5.749 1.00 0.00 C ATOM 985 CG1 VAL A 67 0.249 4.285 -4.732 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.332 2.219 -5.691 1.00 0.00 C ATOM 0 H VAL A 67 2.863 3.571 -7.600 1.00 0.00 H new ATOM 0 HA VAL A 67 0.049 3.660 -7.485 1.00 0.00 H new ATOM 0 HB VAL A 67 2.241 4.138 -5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.511 3.928 -3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.267 5.375 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.751 3.936 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.572 1.905 -4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.371 1.797 -5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.106 1.866 -6.373 1.00 0.00 H new ATOM 996 N LYS A 68 1.524 6.519 -7.599 1.00 0.00 N ATOM 997 CA LYS A 68 1.311 7.953 -7.696 1.00 0.00 C ATOM 998 C LYS A 68 0.304 8.241 -8.811 1.00 0.00 C ATOM 999 O LYS A 68 -0.604 9.052 -8.638 1.00 0.00 O ATOM 1000 CB LYS A 68 2.645 8.682 -7.870 1.00 0.00 C ATOM 1001 CG LYS A 68 2.967 9.537 -6.643 1.00 0.00 C ATOM 1002 CD LYS A 68 4.314 9.141 -6.035 1.00 0.00 C ATOM 1003 CE LYS A 68 5.038 10.361 -5.462 1.00 0.00 C ATOM 1004 NZ LYS A 68 6.101 9.939 -4.523 1.00 0.00 N ATOM 0 H LYS A 68 2.464 6.210 -7.846 1.00 0.00 H new ATOM 0 HA LYS A 68 0.882 8.337 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.442 7.956 -8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.605 9.314 -8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.987 10.590 -6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.180 9.421 -5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.159 8.403 -5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.936 8.669 -6.796 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.472 10.947 -6.272 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.325 11.006 -4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.721 10.748 -4.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.669 9.597 -3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.661 9.176 -4.953 1.00 0.00 H new ATOM 1018 N GLU A 69 0.499 7.560 -9.931 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.381 7.732 -11.074 1.00 0.00 C ATOM 1020 C GLU A 69 -1.761 7.141 -10.776 1.00 0.00 C ATOM 1021 O GLU A 69 -2.732 7.444 -11.467 1.00 0.00 O ATOM 1022 CB GLU A 69 0.223 7.104 -12.331 1.00 0.00 C ATOM 1023 CG GLU A 69 1.664 7.575 -12.541 1.00 0.00 C ATOM 1024 CD GLU A 69 1.786 8.417 -13.812 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.032 8.121 -14.764 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.631 9.339 -13.803 1.00 0.00 O ATOM 0 H GLU A 69 1.254 6.888 -10.071 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.497 8.800 -11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.200 6.018 -12.246 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.380 7.368 -13.200 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.988 8.160 -11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.326 6.712 -12.607 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.803 6.310 -9.745 1.00 0.00 N ATOM 1034 CA LEU A 70 -3.047 5.674 -9.347 1.00 0.00 C ATOM 1035 C LEU A 70 -3.950 6.708 -8.672 1.00 0.00 C ATOM 1036 O LEU A 70 -5.138 6.796 -8.980 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.767 4.444 -8.481 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.413 3.160 -9.234 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.232 1.989 -8.266 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.452 2.854 -10.315 1.00 0.00 C ATOM 0 H LEU A 70 -0.995 6.062 -9.173 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.583 5.304 -10.222 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.948 4.681 -7.802 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.645 4.250 -7.865 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.459 3.312 -9.738 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.981 1.089 -8.827 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.428 2.216 -7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.158 1.826 -7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.177 1.937 -10.835 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.432 2.729 -9.853 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.489 3.678 -11.028 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.352 7.466 -7.763 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.088 8.491 -7.043 1.00 0.00 C ATOM 1054 C CYS A 71 -3.769 9.846 -7.677 1.00 0.00 C ATOM 1055 O CYS A 71 -4.185 10.886 -7.168 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.766 8.471 -5.547 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.271 8.855 -4.578 1.00 0.00 S ATOM 0 H CYS A 71 -2.367 7.390 -7.509 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.158 8.298 -7.121 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.380 7.492 -5.263 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.985 9.198 -5.325 1.00 0.00 H new ATOM 0 HG CYS A 71 -6.022 7.797 -4.505 1.00 0.00 H new ATOM 1063 N ASP A 72 -3.035 9.791 -8.778 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.656 11.001 -9.487 1.00 0.00 C ATOM 1065 C ASP A 72 -1.803 11.879 -8.569 1.00 0.00 C ATOM 1066 O ASP A 72 -2.302 12.837 -7.981 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.890 11.807 -9.899 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.591 13.142 -10.584 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -2.391 13.485 -10.660 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -4.569 13.789 -11.017 1.00 0.00 O ATOM 0 H ASP A 72 -2.692 8.926 -9.197 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.101 10.710 -10.379 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.495 11.198 -10.571 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.493 11.998 -9.012 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.531 11.519 -8.475 1.00 0.00 N ATOM 1076 CA GLY A 73 0.396 12.262 -7.639 1.00 0.00 C ATOM 1077 C GLY A 73 0.144 11.981 -6.156 1.00 0.00 C ATOM 1078 O GLY A 73 0.126 12.901 -5.340 1.00 0.00 O ATOM 0 H GLY A 73 -0.121 10.723 -8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.420 11.990 -7.895 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.291 13.329 -7.833 1.00 0.00 H new ATOM 1082 N LEU A 74 -0.046 10.705 -5.852 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.297 10.292 -4.482 1.00 0.00 C ATOM 1084 C LEU A 74 0.784 10.877 -3.571 1.00 0.00 C ATOM 1085 O LEU A 74 1.854 11.263 -4.040 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.415 8.768 -4.396 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.649 8.192 -2.998 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -2.057 8.520 -2.499 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.367 6.689 -2.971 1.00 0.00 C ATOM 0 H LEU A 74 -0.031 9.944 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.253 10.684 -4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.234 8.450 -5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.497 8.329 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 74 0.054 8.664 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.197 8.099 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.185 9.602 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.793 8.093 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.541 6.304 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.029 6.182 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.670 6.508 -3.254 1.00 0.00 H new ATOM 1101 N GLU A 75 0.466 10.926 -2.286 1.00 0.00 N ATOM 1102 CA GLU A 75 1.396 11.458 -1.305 1.00 0.00 C ATOM 1103 C GLU A 75 2.234 10.329 -0.700 1.00 0.00 C ATOM 1104 O GLU A 75 2.181 10.088 0.505 1.00 0.00 O ATOM 1105 CB GLU A 75 0.657 12.236 -0.214 1.00 0.00 C ATOM 1106 CG GLU A 75 -0.409 11.366 0.454 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.914 12.013 1.745 1.00 0.00 C ATOM 1108 OE1 GLU A 75 -1.774 12.913 1.630 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -0.430 11.592 2.818 1.00 0.00 O ATOM 0 H GLU A 75 -0.423 10.606 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 75 2.067 12.152 -1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.369 12.584 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.190 13.121 -0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.243 11.215 -0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.005 10.382 0.674 1.00 0.00 H new ATOM 1116 N LEU A 76 2.989 9.667 -1.565 1.00 0.00 N ATOM 1117 CA LEU A 76 3.836 8.570 -1.132 1.00 0.00 C ATOM 1118 C LEU A 76 5.301 9.007 -1.195 1.00 0.00 C ATOM 1119 O LEU A 76 5.637 9.969 -1.884 1.00 0.00 O ATOM 1120 CB LEU A 76 3.536 7.308 -1.944 1.00 0.00 C ATOM 1121 CG LEU A 76 4.011 5.988 -1.332 1.00 0.00 C ATOM 1122 CD1 LEU A 76 3.245 5.674 -0.045 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.916 4.848 -2.348 1.00 0.00 C ATOM 0 H LEU A 76 3.031 9.870 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 76 3.624 8.312 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.459 7.247 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.994 7.415 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 76 5.062 6.094 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.601 4.731 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.407 6.473 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.181 5.594 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.259 3.921 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.881 4.732 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.540 5.077 -3.212 1.00 0.00 H new ATOM 1135 N GLU A 77 6.135 8.279 -0.466 1.00 0.00 N ATOM 1136 CA GLU A 77 7.556 8.580 -0.430 1.00 0.00 C ATOM 1137 C GLU A 77 8.362 7.304 -0.177 1.00 0.00 C ATOM 1138 O GLU A 77 7.849 6.345 0.397 1.00 0.00 O ATOM 1139 CB GLU A 77 7.865 9.642 0.627 1.00 0.00 C ATOM 1140 CG GLU A 77 6.812 9.634 1.737 1.00 0.00 C ATOM 1141 CD GLU A 77 7.150 10.659 2.822 1.00 0.00 C ATOM 1142 OE1 GLU A 77 6.911 11.858 2.563 1.00 0.00 O ATOM 1143 OE2 GLU A 77 7.640 10.220 3.885 1.00 0.00 O ATOM 0 H GLU A 77 5.853 7.482 0.104 1.00 0.00 H new ATOM 0 HA GLU A 77 7.847 8.984 -1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.851 9.458 1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.898 10.626 0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.832 9.856 1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.751 8.639 2.178 1.00 0.00 H new ATOM 1150 N ASN A 78 9.611 7.335 -0.619 1.00 0.00 N ATOM 1151 CA ASN A 78 10.493 6.193 -0.448 1.00 0.00 C ATOM 1152 C ASN A 78 10.471 5.752 1.017 1.00 0.00 C ATOM 1153 O ASN A 78 10.630 4.569 1.315 1.00 0.00 O ATOM 1154 CB ASN A 78 11.935 6.552 -0.812 1.00 0.00 C ATOM 1155 CG ASN A 78 12.023 7.082 -2.245 1.00 0.00 C ATOM 1156 OD1 ASN A 78 11.757 6.385 -3.210 1.00 0.00 O ATOM 1157 ND2 ASN A 78 12.410 8.352 -2.329 1.00 0.00 N ATOM 0 H ASN A 78 10.033 8.133 -1.095 1.00 0.00 H new ATOM 0 HA ASN A 78 10.143 5.395 -1.103 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.313 7.304 -0.119 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.570 5.673 -0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.499 8.799 -3.242 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.617 8.879 -1.481 1.00 0.00 H new ATOM 1164 N GLU A 79 10.273 6.727 1.892 1.00 0.00 N ATOM 1165 CA GLU A 79 10.229 6.454 3.319 1.00 0.00 C ATOM 1166 C GLU A 79 9.014 5.587 3.656 1.00 0.00 C ATOM 1167 O GLU A 79 9.121 4.634 4.427 1.00 0.00 O ATOM 1168 CB GLU A 79 10.215 7.754 4.126 1.00 0.00 C ATOM 1169 CG GLU A 79 9.598 7.534 5.508 1.00 0.00 C ATOM 1170 CD GLU A 79 10.342 8.341 6.575 1.00 0.00 C ATOM 1171 OE1 GLU A 79 10.083 9.562 6.645 1.00 0.00 O ATOM 1172 OE2 GLU A 79 11.151 7.719 7.295 1.00 0.00 O ATOM 0 H GLU A 79 10.141 7.707 1.641 1.00 0.00 H new ATOM 0 HA GLU A 79 11.130 5.905 3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.232 8.130 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.649 8.514 3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.548 7.826 5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.630 6.474 5.760 1.00 0.00 H new ATOM 1179 N ASP A 80 7.886 5.947 3.061 1.00 0.00 N ATOM 1180 CA ASP A 80 6.652 5.214 3.288 1.00 0.00 C ATOM 1181 C ASP A 80 6.884 3.731 2.991 1.00 0.00 C ATOM 1182 O ASP A 80 6.506 2.869 3.784 1.00 0.00 O ATOM 1183 CB ASP A 80 5.538 5.713 2.367 1.00 0.00 C ATOM 1184 CG ASP A 80 4.958 7.080 2.734 1.00 0.00 C ATOM 1185 OD1 ASP A 80 4.769 7.309 3.949 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.716 7.865 1.793 1.00 0.00 O ATOM 0 H ASP A 80 7.801 6.737 2.422 1.00 0.00 H new ATOM 0 HA ASP A 80 6.355 5.365 4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.923 5.760 1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.731 4.981 2.369 1.00 0.00 H new ATOM 1191 N VAL A 81 7.502 3.479 1.847 1.00 0.00 N ATOM 1192 CA VAL A 81 7.788 2.115 1.435 1.00 0.00 C ATOM 1193 C VAL A 81 8.681 1.447 2.483 1.00 0.00 C ATOM 1194 O VAL A 81 8.451 0.299 2.859 1.00 0.00 O ATOM 1195 CB VAL A 81 8.404 2.109 0.035 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.870 0.705 -0.353 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.421 2.666 -0.998 1.00 0.00 C ATOM 0 H VAL A 81 7.813 4.196 1.192 1.00 0.00 H new ATOM 0 HA VAL A 81 6.868 1.534 1.373 1.00 0.00 H new ATOM 0 HB VAL A 81 9.279 2.759 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.304 0.729 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.619 0.360 0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.019 0.024 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.883 2.651 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.520 2.053 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.159 3.691 -0.736 1.00 0.00 H new ATOM 1207 N TYR A 82 9.681 2.195 2.926 1.00 0.00 N ATOM 1208 CA TYR A 82 10.609 1.690 3.923 1.00 0.00 C ATOM 1209 C TYR A 82 9.888 1.383 5.237 1.00 0.00 C ATOM 1210 O TYR A 82 10.444 0.724 6.115 1.00 0.00 O ATOM 1211 CB TYR A 82 11.623 2.811 4.162 1.00 0.00 C ATOM 1212 CG TYR A 82 12.407 3.217 2.913 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.343 2.439 1.774 1.00 0.00 C ATOM 1214 CD2 TYR A 82 13.177 4.362 2.924 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.081 2.822 0.599 1.00 0.00 C ATOM 1216 CE2 TYR A 82 13.915 4.744 1.748 1.00 0.00 C ATOM 1217 CZ TYR A 82 13.831 3.955 0.643 1.00 0.00 C ATOM 1218 OH TYR A 82 14.527 4.317 -0.468 1.00 0.00 O ATOM 0 H TYR A 82 9.869 3.147 2.612 1.00 0.00 H new ATOM 0 HA TYR A 82 11.078 0.768 3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.099 3.685 4.549 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.326 2.493 4.932 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.739 1.543 1.765 1.00 0.00 H new ATOM 0 HD2 TYR A 82 13.226 4.971 3.814 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.040 2.222 -0.298 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.522 5.637 1.743 1.00 0.00 H new ATOM 0 HH TYR A 82 15.017 5.147 -0.291 1.00 0.00 H new ATOM 1228 N MET A 83 8.661 1.874 5.331 1.00 0.00 N ATOM 1229 CA MET A 83 7.858 1.659 6.523 1.00 0.00 C ATOM 1230 C MET A 83 6.930 0.455 6.350 1.00 0.00 C ATOM 1231 O MET A 83 6.821 -0.383 7.244 1.00 0.00 O ATOM 1232 CB MET A 83 7.025 2.910 6.809 1.00 0.00 C ATOM 1233 CG MET A 83 7.306 3.447 8.214 1.00 0.00 C ATOM 1234 SD MET A 83 7.145 2.134 9.413 1.00 0.00 S ATOM 1235 CE MET A 83 7.922 2.905 10.823 1.00 0.00 C ATOM 0 H MET A 83 8.203 2.420 4.601 1.00 0.00 H new ATOM 0 HA MET A 83 8.528 1.459 7.359 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.251 3.679 6.070 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.965 2.676 6.711 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.310 3.869 8.257 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.611 4.253 8.450 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.907 2.217 11.668 1.00 0.00 H new ATOM 0 HE2 MET A 83 8.954 3.156 10.578 1.00 0.00 H new ATOM 0 HE3 MET A 83 7.380 3.813 11.086 1.00 0.00 H new ATOM 1245 N ALA A 84 6.285 0.408 5.194 1.00 0.00 N ATOM 1246 CA ALA A 84 5.369 -0.680 4.892 1.00 0.00 C ATOM 1247 C ALA A 84 5.910 -1.482 3.707 1.00 0.00 C ATOM 1248 O ALA A 84 5.528 -1.239 2.563 1.00 0.00 O ATOM 1249 CB ALA A 84 3.974 -0.113 4.624 1.00 0.00 C ATOM 0 H ALA A 84 6.378 1.105 4.455 1.00 0.00 H new ATOM 0 HA ALA A 84 5.287 -1.360 5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.287 -0.928 4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.623 0.422 5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.016 0.572 3.777 1.00 0.00 H new ATOM 1255 N SER A 85 6.791 -2.421 4.021 1.00 0.00 N ATOM 1256 CA SER A 85 7.388 -3.260 2.996 1.00 0.00 C ATOM 1257 C SER A 85 6.373 -4.298 2.513 1.00 0.00 C ATOM 1258 O SER A 85 6.400 -4.705 1.352 1.00 0.00 O ATOM 1259 CB SER A 85 8.649 -3.952 3.517 1.00 0.00 C ATOM 1260 OG SER A 85 8.343 -4.998 4.435 1.00 0.00 O ATOM 0 H SER A 85 7.106 -2.619 4.971 1.00 0.00 H new ATOM 0 HA SER A 85 7.675 -2.625 2.158 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.212 -4.360 2.677 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.290 -3.218 4.005 1.00 0.00 H new ATOM 0 HG SER A 85 9.095 -5.625 4.478 1.00 0.00 H new ATOM 1266 N THR A 86 5.502 -4.698 3.428 1.00 0.00 N ATOM 1267 CA THR A 86 4.480 -5.681 3.110 1.00 0.00 C ATOM 1268 C THR A 86 3.265 -5.001 2.476 1.00 0.00 C ATOM 1269 O THR A 86 2.917 -3.879 2.839 1.00 0.00 O ATOM 1270 CB THR A 86 4.148 -6.448 4.391 1.00 0.00 C ATOM 1271 OG1 THR A 86 4.107 -5.441 5.398 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.285 -7.371 4.833 1.00 0.00 C ATOM 0 H THR A 86 5.483 -4.359 4.390 1.00 0.00 H new ATOM 0 HA THR A 86 4.836 -6.396 2.369 1.00 0.00 H new ATOM 0 HB THR A 86 3.243 -7.036 4.237 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.896 -5.851 6.263 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.997 -7.891 5.747 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.487 -8.100 4.049 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.182 -6.780 5.019 1.00 0.00 H new ATOM 1280 N PHE A 87 2.653 -5.710 1.539 1.00 0.00 N ATOM 1281 CA PHE A 87 1.484 -5.189 0.850 1.00 0.00 C ATOM 1282 C PHE A 87 0.391 -4.796 1.846 1.00 0.00 C ATOM 1283 O PHE A 87 -0.038 -3.644 1.879 1.00 0.00 O ATOM 1284 CB PHE A 87 0.959 -6.310 -0.049 1.00 0.00 C ATOM 1285 CG PHE A 87 -0.089 -5.852 -1.066 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.289 -5.126 -2.152 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.398 -6.172 -0.883 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.684 -4.701 -3.095 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.371 -5.747 -1.826 1.00 0.00 C ATOM 1290 CZ PHE A 87 -1.993 -5.021 -2.912 1.00 0.00 C ATOM 0 H PHE A 87 2.944 -6.641 1.241 1.00 0.00 H new ATOM 0 HA PHE A 87 1.754 -4.301 0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.798 -6.757 -0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.527 -7.091 0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.329 -4.873 -2.297 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.697 -6.749 -0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.385 -4.124 -3.957 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.411 -6.000 -1.681 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.733 -4.698 -3.630 1.00 0.00 H new ATOM 1300 N GLY A 88 -0.027 -5.776 2.633 1.00 0.00 N ATOM 1301 CA GLY A 88 -1.062 -5.547 3.627 1.00 0.00 C ATOM 1302 C GLY A 88 -0.812 -4.243 4.388 1.00 0.00 C ATOM 1303 O GLY A 88 -1.687 -3.381 4.455 1.00 0.00 O ATOM 0 H GLY A 88 0.332 -6.730 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.036 -5.507 3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.090 -6.382 4.328 1.00 0.00 H new ATOM 1307 N ASP A 89 0.386 -4.140 4.944 1.00 0.00 N ATOM 1308 CA ASP A 89 0.763 -2.956 5.697 1.00 0.00 C ATOM 1309 C ASP A 89 0.721 -1.735 4.776 1.00 0.00 C ATOM 1310 O ASP A 89 0.115 -0.719 5.113 1.00 0.00 O ATOM 1311 CB ASP A 89 2.184 -3.083 6.249 1.00 0.00 C ATOM 1312 CG ASP A 89 2.482 -2.215 7.473 1.00 0.00 C ATOM 1313 OD1 ASP A 89 1.541 -2.017 8.271 1.00 0.00 O ATOM 1314 OD2 ASP A 89 3.645 -1.769 7.583 1.00 0.00 O ATOM 0 H ASP A 89 1.109 -4.858 4.888 1.00 0.00 H new ATOM 0 HA ASP A 89 0.063 -2.847 6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.365 -4.126 6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.889 -2.825 5.459 1.00 0.00 H new ATOM 1319 N PHE A 90 1.372 -1.875 3.631 1.00 0.00 N ATOM 1320 CA PHE A 90 1.416 -0.797 2.658 1.00 0.00 C ATOM 1321 C PHE A 90 0.006 -0.321 2.302 1.00 0.00 C ATOM 1322 O PHE A 90 -0.305 0.862 2.435 1.00 0.00 O ATOM 1323 CB PHE A 90 2.085 -1.355 1.401 1.00 0.00 C ATOM 1324 CG PHE A 90 2.263 -0.327 0.282 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.321 0.527 0.305 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.363 -0.268 -0.737 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.486 1.481 -0.734 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.529 0.686 -1.775 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.586 1.540 -1.752 1.00 0.00 C ATOM 0 H PHE A 90 1.874 -2.719 3.355 1.00 0.00 H new ATOM 0 HA PHE A 90 1.964 0.051 3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.062 -1.757 1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.490 -2.187 1.024 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.036 0.480 1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.523 -0.947 -0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.326 2.160 -0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.815 0.733 -2.584 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.711 2.266 -2.542 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.808 -1.266 1.858 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.178 -0.958 1.482 1.00 0.00 C ATOM 1341 C ILE A 91 -2.787 -0.015 2.521 1.00 0.00 C ATOM 1342 O ILE A 91 -3.277 1.060 2.177 1.00 0.00 O ATOM 1343 CB ILE A 91 -2.979 -2.245 1.275 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.471 -3.017 0.055 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.477 -1.950 1.183 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.582 -2.171 -1.214 1.00 0.00 C ATOM 0 H ILE A 91 -0.546 -2.246 1.750 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.203 -0.437 0.525 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.830 -2.884 2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.433 -3.309 0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.046 -3.935 -0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -5.023 -2.882 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.812 -1.475 2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.665 -1.283 0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.214 -2.743 -2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.625 -1.901 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.986 -1.265 -1.101 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.737 -0.451 3.771 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.278 0.341 4.862 1.00 0.00 C ATOM 1360 C GLN A 92 -2.781 1.785 4.767 1.00 0.00 C ATOM 1361 O GLN A 92 -3.575 2.723 4.816 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.920 -0.274 6.216 1.00 0.00 C ATOM 1363 CG GLN A 92 -3.820 -1.471 6.530 1.00 0.00 C ATOM 1364 CD GLN A 92 -5.294 -1.060 6.547 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -5.670 -0.023 7.068 1.00 0.00 O ATOM 1366 NE2 GLN A 92 -6.105 -1.929 5.949 1.00 0.00 N ATOM 0 H GLN A 92 -2.330 -1.343 4.052 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.365 0.345 4.778 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.877 -0.590 6.211 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.022 0.477 6.999 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.665 -2.252 5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -3.545 -1.893 7.497 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.724 -2.779 5.533 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.107 -1.745 5.907 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.470 1.918 4.634 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.857 3.232 4.532 1.00 0.00 C ATOM 1377 C LEU A 93 -1.368 3.931 3.270 1.00 0.00 C ATOM 1378 O LEU A 93 -1.769 5.093 3.320 1.00 0.00 O ATOM 1379 CB LEU A 93 0.667 3.119 4.598 1.00 0.00 C ATOM 1380 CG LEU A 93 1.451 4.111 3.737 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.668 4.650 4.491 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.839 3.486 2.395 1.00 0.00 C ATOM 0 H LEU A 93 -0.815 1.137 4.594 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.144 3.853 5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.976 3.245 5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.950 2.109 4.302 1.00 0.00 H new ATOM 0 HG LEU A 93 0.804 4.961 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.207 5.353 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.339 5.159 5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.326 3.823 4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.395 4.212 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.460 2.607 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.938 3.192 1.856 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.336 3.194 2.170 1.00 0.00 N ATOM 1395 CA LEU A 94 -1.791 3.729 0.897 1.00 0.00 C ATOM 1396 C LEU A 94 -3.238 4.205 1.037 1.00 0.00 C ATOM 1397 O LEU A 94 -3.523 5.392 0.879 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.587 2.703 -0.219 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.498 2.849 -1.439 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -1.941 3.883 -2.419 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.738 1.495 -2.110 1.00 0.00 C ATOM 0 H LEU A 94 -1.002 2.231 2.133 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.195 4.597 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.552 2.762 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.731 1.707 0.200 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.466 3.216 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.608 3.967 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.864 4.850 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.953 3.569 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.389 1.628 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.786 1.075 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.211 0.816 -1.400 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.114 3.256 1.333 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.525 3.564 1.496 1.00 0.00 C ATOM 1415 C VAL A 95 -5.670 4.894 2.239 1.00 0.00 C ATOM 1416 O VAL A 95 -6.398 5.780 1.796 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.235 2.406 2.199 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.672 2.785 2.564 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.203 1.141 1.340 1.00 0.00 C ATOM 0 H VAL A 95 -3.874 2.273 1.464 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.005 3.681 0.525 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.698 2.196 3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.155 1.944 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.663 3.646 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.224 3.035 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.715 0.333 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.703 1.333 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.168 0.854 1.153 1.00 0.00 H new ATOM 1429 N ARG A 96 -4.964 4.991 3.356 1.00 0.00 N ATOM 1430 CA ARG A 96 -5.005 6.197 4.165 1.00 0.00 C ATOM 1431 C ARG A 96 -4.726 7.427 3.298 1.00 0.00 C ATOM 1432 O ARG A 96 -5.489 8.391 3.319 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.977 6.137 5.297 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.636 5.724 6.614 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.585 5.338 7.656 1.00 0.00 C ATOM 1436 NE ARG A 96 -3.726 6.191 8.858 1.00 0.00 N ATOM 1437 CZ ARG A 96 -3.196 7.416 8.976 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -2.486 7.939 7.967 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -3.376 8.117 10.103 1.00 0.00 N ATOM 0 H ARG A 96 -4.360 4.254 3.720 1.00 0.00 H new ATOM 0 HA ARG A 96 -6.002 6.271 4.599 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.190 5.427 5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.502 7.111 5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.245 6.545 6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.307 4.883 6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.700 4.289 7.929 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.586 5.450 7.235 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.260 5.823 9.645 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.349 7.405 7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.083 8.872 8.057 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.916 7.718 10.871 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.973 9.050 10.193 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.631 7.353 2.556 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.243 8.448 1.683 1.00 0.00 C ATOM 1455 C LYS A 97 -4.344 8.683 0.647 1.00 0.00 C ATOM 1456 O LYS A 97 -4.488 9.791 0.131 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.867 8.181 1.069 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.785 8.131 2.149 1.00 0.00 C ATOM 1459 CD LYS A 97 0.215 7.006 1.872 1.00 0.00 C ATOM 1460 CE LYS A 97 1.465 7.157 2.742 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.088 7.414 4.149 1.00 0.00 N ATOM 0 H LYS A 97 -3.000 6.552 2.541 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.139 9.371 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.885 7.237 0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.629 8.962 0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.261 9.086 2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.247 7.980 3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.254 6.042 2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.497 7.016 0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.070 6.252 2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.079 7.976 2.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.889 7.182 4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.840 8.417 4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.270 6.824 4.403 1.00 0.00 H new ATOM 1475 N LEU A 98 -5.091 7.625 0.373 1.00 0.00 N ATOM 1476 CA LEU A 98 -6.175 7.702 -0.592 1.00 0.00 C ATOM 1477 C LEU A 98 -7.365 8.426 0.041 1.00 0.00 C ATOM 1478 O LEU A 98 -7.910 9.361 -0.544 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.516 6.311 -1.128 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.338 5.487 -1.653 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.820 4.370 -2.580 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.299 6.384 -2.328 1.00 0.00 C ATOM 0 H LEU A 98 -4.967 6.708 0.803 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.871 8.286 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.003 5.746 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.243 6.421 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.849 5.011 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.963 3.800 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.493 3.709 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.348 4.804 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.473 5.773 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.760 6.908 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.923 7.111 -1.608 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.733 7.967 1.228 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.849 8.559 1.946 1.00 0.00 C ATOM 1496 C ARG A 99 -8.646 10.069 2.090 1.00 0.00 C ATOM 1497 O ARG A 99 -9.548 10.850 1.791 1.00 0.00 O ATOM 1498 CB ARG A 99 -9.001 7.937 3.336 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.979 6.761 3.307 1.00 0.00 C ATOM 1500 CD ARG A 99 -9.640 5.795 2.170 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.313 4.496 2.393 1.00 0.00 N ATOM 1502 CZ ARG A 99 -11.591 4.248 2.076 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -12.343 5.208 1.522 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -12.118 3.039 2.315 1.00 0.00 N ATOM 0 H ARG A 99 -7.278 7.192 1.711 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.755 8.364 1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.029 7.598 3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.354 8.691 4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.947 6.233 4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.996 7.132 3.183 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.955 6.218 1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.561 5.650 2.114 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.770 3.742 2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.943 6.129 1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.316 5.018 1.281 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.546 2.308 2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.091 2.850 2.074 1.00 0.00 H new ATOM 1518 N GLY A 100 -7.458 10.433 2.547 1.00 0.00 N ATOM 1519 CA GLY A 100 -7.126 11.836 2.733 1.00 0.00 C ATOM 1520 C GLY A 100 -5.638 12.010 3.044 1.00 0.00 C ATOM 1521 O GLY A 100 -4.793 11.838 2.167 1.00 0.00 O ATOM 0 H GLY A 100 -6.713 9.782 2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.381 12.396 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.722 12.250 3.546 1.00 0.00 H new ATOM 1525 N ASP A 101 -5.363 12.350 4.295 1.00 0.00 N ATOM 1526 CA ASP A 101 -3.991 12.550 4.731 1.00 0.00 C ATOM 1527 C ASP A 101 -3.953 12.626 6.259 1.00 0.00 C ATOM 1528 O ASP A 101 -4.650 13.442 6.861 1.00 0.00 O ATOM 1529 CB ASP A 101 -3.422 13.858 4.179 1.00 0.00 C ATOM 1530 CG ASP A 101 -1.909 14.021 4.333 1.00 0.00 C ATOM 1531 OD1 ASP A 101 -1.335 13.257 5.138 1.00 0.00 O ATOM 1532 OD2 ASP A 101 -1.360 14.907 3.642 1.00 0.00 O ATOM 0 H ASP A 101 -6.066 12.492 5.020 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.395 11.715 4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.674 13.928 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.915 14.691 4.680 1.00 0.00 H new ATOM 1537 N ASP A 102 -3.133 11.764 6.842 1.00 0.00 N ATOM 1538 CA ASP A 102 -2.995 11.724 8.288 1.00 0.00 C ATOM 1539 C ASP A 102 -4.380 11.821 8.931 1.00 0.00 C ATOM 1540 O ASP A 102 -4.875 12.918 9.184 1.00 0.00 O ATOM 1541 CB ASP A 102 -2.155 12.898 8.795 1.00 0.00 C ATOM 1542 CG ASP A 102 -1.028 13.338 7.859 1.00 0.00 C ATOM 1543 OD1 ASP A 102 -0.334 12.436 7.342 1.00 0.00 O ATOM 1544 OD2 ASP A 102 -0.885 14.567 7.681 1.00 0.00 O ATOM 0 H ASP A 102 -2.558 11.088 6.340 1.00 0.00 H new ATOM 0 HA ASP A 102 -2.503 10.788 8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -2.814 13.748 8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.722 12.627 9.758 1.00 0.00 H new ATOM 1549 N GLU A 103 -4.965 10.658 9.177 1.00 0.00 N ATOM 1550 CA GLU A 103 -6.283 10.598 9.786 1.00 0.00 C ATOM 1551 C GLU A 103 -6.176 10.767 11.303 1.00 0.00 C ATOM 1552 O GLU A 103 -5.250 10.248 11.925 1.00 0.00 O ATOM 1553 CB GLU A 103 -6.993 9.290 9.429 1.00 0.00 C ATOM 1554 CG GLU A 103 -8.043 9.516 8.339 1.00 0.00 C ATOM 1555 CD GLU A 103 -9.449 9.210 8.860 1.00 0.00 C ATOM 1556 OE1 GLU A 103 -9.845 9.872 9.844 1.00 0.00 O ATOM 1557 OE2 GLU A 103 -10.095 8.322 8.263 1.00 0.00 O ATOM 0 H GLU A 103 -4.551 9.750 8.966 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.882 11.418 9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.262 8.557 9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.469 8.876 10.318 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.996 10.548 7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.823 8.882 7.480 1.00 0.00 H new ATOM 1564 N GLU A 104 -7.135 11.495 11.855 1.00 0.00 N ATOM 1565 CA GLU A 104 -7.160 11.739 13.287 1.00 0.00 C ATOM 1566 C GLU A 104 -8.531 11.378 13.863 1.00 0.00 C ATOM 1567 O GLU A 104 -8.619 10.742 14.912 1.00 0.00 O ATOM 1568 CB GLU A 104 -6.798 13.192 13.602 1.00 0.00 C ATOM 1569 CG GLU A 104 -7.151 14.111 12.431 1.00 0.00 C ATOM 1570 CD GLU A 104 -7.005 15.582 12.826 1.00 0.00 C ATOM 1571 OE1 GLU A 104 -7.671 15.976 13.807 1.00 0.00 O ATOM 1572 OE2 GLU A 104 -6.229 16.280 12.137 1.00 0.00 O ATOM 0 H GLU A 104 -7.901 11.924 11.336 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.411 11.102 13.758 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.329 13.517 14.497 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.732 13.266 13.819 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.502 13.892 11.583 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.174 13.917 12.107 1.00 0.00 H new ATOM 1579 N SER A 105 -9.566 11.800 13.152 1.00 0.00 N ATOM 1580 CA SER A 105 -10.928 11.529 13.579 1.00 0.00 C ATOM 1581 C SER A 105 -11.276 12.392 14.794 1.00 0.00 C ATOM 1582 O SER A 105 -10.865 12.089 15.913 1.00 0.00 O ATOM 1583 CB SER A 105 -11.118 10.047 13.909 1.00 0.00 C ATOM 1584 OG SER A 105 -10.561 9.202 12.905 1.00 0.00 O ATOM 0 H SER A 105 -9.489 12.328 12.283 1.00 0.00 H new ATOM 0 HA SER A 105 -11.600 11.779 12.758 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.651 9.826 14.869 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.181 9.832 14.015 1.00 0.00 H new ATOM 0 HG SER A 105 -10.464 9.706 12.070 1.00 0.00 H new ATOM 1590 N GLY A 106 -12.030 13.450 14.533 1.00 0.00 N ATOM 1591 CA GLY A 106 -12.438 14.358 15.591 1.00 0.00 C ATOM 1592 C GLY A 106 -12.609 15.781 15.056 1.00 0.00 C ATOM 1593 O GLY A 106 -12.961 15.973 13.893 1.00 0.00 O ATOM 0 H GLY A 106 -12.369 13.699 13.604 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.376 14.015 16.028 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.694 14.352 16.387 1.00 0.00 H new ATOM 1597 N PRO A 107 -12.345 16.768 15.954 1.00 0.00 N ATOM 1598 CA PRO A 107 -12.466 18.168 15.584 1.00 0.00 C ATOM 1599 C PRO A 107 -11.293 18.607 14.705 1.00 0.00 C ATOM 1600 O PRO A 107 -10.218 18.923 15.211 1.00 0.00 O ATOM 1601 CB PRO A 107 -12.532 18.919 16.904 1.00 0.00 C ATOM 1602 CG PRO A 107 -11.981 17.968 17.953 1.00 0.00 C ATOM 1603 CD PRO A 107 -11.926 16.578 17.339 1.00 0.00 C ATOM 0 HA PRO A 107 -13.352 18.368 14.981 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.944 19.836 16.861 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.557 19.208 17.138 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.988 18.284 18.271 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.615 17.969 18.840 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.921 16.160 17.395 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -12.588 15.888 17.862 1.00 0.00 H new ATOM 1611 N SER A 108 -11.540 18.611 13.403 1.00 0.00 N ATOM 1612 CA SER A 108 -10.517 19.005 12.449 1.00 0.00 C ATOM 1613 C SER A 108 -10.770 20.437 11.972 1.00 0.00 C ATOM 1614 O SER A 108 -9.886 21.288 12.054 1.00 0.00 O ATOM 1615 CB SER A 108 -10.478 18.048 11.256 1.00 0.00 C ATOM 1616 OG SER A 108 -10.240 16.702 11.660 1.00 0.00 O ATOM 0 H SER A 108 -12.433 18.348 12.987 1.00 0.00 H new ATOM 0 HA SER A 108 -9.549 18.960 12.948 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.423 18.103 10.716 1.00 0.00 H new ATOM 0 HB3 SER A 108 -9.697 18.363 10.564 1.00 0.00 H new ATOM 0 HG SER A 108 -10.224 16.122 10.871 1.00 0.00 H new ATOM 1622 N SER A 109 -11.982 20.659 11.485 1.00 0.00 N ATOM 1623 CA SER A 109 -12.363 21.972 10.995 1.00 0.00 C ATOM 1624 C SER A 109 -11.208 22.591 10.205 1.00 0.00 C ATOM 1625 O SER A 109 -10.460 23.413 10.733 1.00 0.00 O ATOM 1626 CB SER A 109 -12.772 22.893 12.147 1.00 0.00 C ATOM 1627 OG SER A 109 -13.837 22.343 12.917 1.00 0.00 O ATOM 0 H SER A 109 -12.713 19.951 11.419 1.00 0.00 H new ATOM 0 HA SER A 109 -13.224 21.855 10.337 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.912 23.070 12.792 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.075 23.861 11.747 1.00 0.00 H new ATOM 0 HG SER A 109 -14.068 22.959 13.643 1.00 0.00 H new ATOM 1633 N GLY A 110 -11.099 22.173 8.953 1.00 0.00 N ATOM 1634 CA GLY A 110 -10.048 22.677 8.085 1.00 0.00 C ATOM 1635 C GLY A 110 -10.420 24.045 7.510 1.00 0.00 C ATOM 1636 O GLY A 110 -10.398 24.238 6.295 1.00 0.00 O ATOM 0 H GLY A 110 -11.721 21.491 8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.116 22.755 8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.874 21.972 7.272 1.00 0.00 H new TER 1640 GLY A 110