USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=24 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.137 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 46:sc= 0.315 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.675 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 : amide:sc= 0.0219 X(o=0.022,f=-0.26) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0396) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -170:sc= 0.0332 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 83:sc= -0.981 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -154:sc= -0.0586 (180deg=-0.394) USER MOD Single : A 71 CYS SG : rot 180:sc= -1.36 USER MOD Single : A 78 ASN : amide:sc= -1.41 K(o=-1.4,f=-8.1!) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0326 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 161:sc= -2.76! USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0453 USER MOD Single : A 92 GLN :FLIP amide:sc= -1.84 F(o=-2.9,f=-1.8) USER MOD Single : A 97 LYS NZ :NH3+ 162:sc= -0.0333 (180deg=-0.537) USER MOD Single : A 105 SER OG : rot 180:sc= 0.01 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 -14.453 16.545 22.429 1.00 0.00 N ATOM 2 CA GLY A 1 -14.001 16.471 23.808 1.00 0.00 C ATOM 3 C GLY A 1 -12.580 17.019 23.950 1.00 0.00 C ATOM 4 O GLY A 1 -11.608 16.295 23.743 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.419 16.167 22.360 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.445 17.536 22.114 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.818 15.985 21.825 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.678 17.037 24.447 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.031 15.436 24.149 1.00 0.00 H new ATOM 8 N SER A 2 -12.504 18.294 24.301 1.00 0.00 N ATOM 9 CA SER A 2 -11.218 18.948 24.472 1.00 0.00 C ATOM 10 C SER A 2 -10.862 19.022 25.958 1.00 0.00 C ATOM 11 O SER A 2 -11.703 18.756 26.816 1.00 0.00 O ATOM 12 CB SER A 2 -11.226 20.350 23.859 1.00 0.00 C ATOM 13 OG SER A 2 -9.938 20.958 23.898 1.00 0.00 O ATOM 0 H SER A 2 -13.313 18.892 24.472 1.00 0.00 H new ATOM 0 HA SER A 2 -10.463 18.358 23.952 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.568 20.292 22.826 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.939 20.976 24.396 1.00 0.00 H new ATOM 0 HG SER A 2 -9.985 21.850 23.496 1.00 0.00 H new ATOM 19 N SER A 3 -9.614 19.384 26.218 1.00 0.00 N ATOM 20 CA SER A 3 -9.136 19.495 27.586 1.00 0.00 C ATOM 21 C SER A 3 -9.165 18.124 28.264 1.00 0.00 C ATOM 22 O SER A 3 -10.186 17.438 28.241 1.00 0.00 O ATOM 23 CB SER A 3 -9.974 20.499 28.381 1.00 0.00 C ATOM 24 OG SER A 3 -9.562 20.577 29.743 1.00 0.00 O ATOM 0 H SER A 3 -8.919 19.604 25.504 1.00 0.00 H new ATOM 0 HA SER A 3 -8.109 19.858 27.561 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.893 21.484 27.921 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.024 20.211 28.336 1.00 0.00 H new ATOM 0 HG SER A 3 -10.119 21.229 30.217 1.00 0.00 H new ATOM 30 N GLY A 4 -8.033 17.766 28.851 1.00 0.00 N ATOM 31 CA GLY A 4 -7.916 16.489 29.535 1.00 0.00 C ATOM 32 C GLY A 4 -6.669 16.454 30.420 1.00 0.00 C ATOM 33 O GLY A 4 -6.473 17.332 31.258 1.00 0.00 O ATOM 0 H GLY A 4 -7.188 18.338 28.867 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.803 16.316 30.144 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.869 15.683 28.803 1.00 0.00 H new ATOM 37 N SER A 5 -5.858 15.428 30.205 1.00 0.00 N ATOM 38 CA SER A 5 -4.635 15.267 30.973 1.00 0.00 C ATOM 39 C SER A 5 -3.598 14.499 30.150 1.00 0.00 C ATOM 40 O SER A 5 -3.950 13.775 29.221 1.00 0.00 O ATOM 41 CB SER A 5 -4.906 14.543 32.293 1.00 0.00 C ATOM 42 OG SER A 5 -5.543 13.285 32.092 1.00 0.00 O ATOM 0 H SER A 5 -6.024 14.700 29.510 1.00 0.00 H new ATOM 0 HA SER A 5 -4.244 16.257 31.206 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.966 14.392 32.823 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.533 15.169 32.928 1.00 0.00 H new ATOM 0 HG SER A 5 -5.697 12.854 32.959 1.00 0.00 H new ATOM 48 N SER A 6 -2.340 14.684 30.522 1.00 0.00 N ATOM 49 CA SER A 6 -1.249 14.018 29.831 1.00 0.00 C ATOM 50 C SER A 6 -0.871 12.731 30.567 1.00 0.00 C ATOM 51 O SER A 6 -0.032 12.751 31.467 1.00 0.00 O ATOM 52 CB SER A 6 -0.032 14.937 29.708 1.00 0.00 C ATOM 53 OG SER A 6 0.338 15.503 30.962 1.00 0.00 O ATOM 0 H SER A 6 -2.052 15.286 31.293 1.00 0.00 H new ATOM 0 HA SER A 6 -1.584 13.768 28.824 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.808 14.374 29.302 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.251 15.736 29.000 1.00 0.00 H new ATOM 0 HG SER A 6 0.346 14.803 31.647 1.00 0.00 H new ATOM 59 N GLY A 7 -1.507 11.644 30.157 1.00 0.00 N ATOM 60 CA GLY A 7 -1.248 10.351 30.767 1.00 0.00 C ATOM 61 C GLY A 7 -1.022 9.277 29.701 1.00 0.00 C ATOM 62 O GLY A 7 0.097 9.099 29.221 1.00 0.00 O ATOM 0 H GLY A 7 -2.201 11.632 29.410 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.372 10.418 31.412 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.089 10.069 31.400 1.00 0.00 H new ATOM 66 N PHE A 8 -2.103 8.590 29.360 1.00 0.00 N ATOM 67 CA PHE A 8 -2.037 7.539 28.359 1.00 0.00 C ATOM 68 C PHE A 8 -3.434 7.018 28.018 1.00 0.00 C ATOM 69 O PHE A 8 -4.244 6.773 28.911 1.00 0.00 O ATOM 70 CB PHE A 8 -1.213 6.399 28.961 1.00 0.00 C ATOM 71 CG PHE A 8 -1.886 5.703 30.145 1.00 0.00 C ATOM 72 CD1 PHE A 8 -1.832 6.262 31.384 1.00 0.00 C ATOM 73 CD2 PHE A 8 -2.540 4.525 29.959 1.00 0.00 C ATOM 74 CE1 PHE A 8 -2.457 5.616 32.483 1.00 0.00 C ATOM 75 CE2 PHE A 8 -3.165 3.878 31.058 1.00 0.00 C ATOM 76 CZ PHE A 8 -3.110 4.437 32.297 1.00 0.00 C ATOM 0 H PHE A 8 -3.029 8.741 29.759 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.589 7.925 27.443 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.012 5.660 28.185 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.249 6.792 29.284 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.313 7.198 31.532 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.584 4.081 28.975 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.414 6.060 33.466 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.684 2.942 30.910 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.585 3.945 33.133 1.00 0.00 H new ATOM 86 N PHE A 9 -3.675 6.864 26.724 1.00 0.00 N ATOM 87 CA PHE A 9 -4.960 6.376 26.255 1.00 0.00 C ATOM 88 C PHE A 9 -4.907 4.873 25.974 1.00 0.00 C ATOM 89 O PHE A 9 -3.829 4.282 25.940 1.00 0.00 O ATOM 90 CB PHE A 9 -5.270 7.116 24.952 1.00 0.00 C ATOM 91 CG PHE A 9 -6.089 8.394 25.142 1.00 0.00 C ATOM 92 CD1 PHE A 9 -7.419 8.316 25.417 1.00 0.00 C ATOM 93 CD2 PHE A 9 -5.488 9.609 25.036 1.00 0.00 C ATOM 94 CE1 PHE A 9 -8.179 9.502 25.593 1.00 0.00 C ATOM 95 CE2 PHE A 9 -6.248 10.796 25.212 1.00 0.00 C ATOM 96 CZ PHE A 9 -7.577 10.717 25.487 1.00 0.00 C ATOM 0 H PHE A 9 -3.001 7.069 25.986 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.723 6.549 27.014 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.332 7.368 24.457 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.812 6.445 24.285 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.897 7.351 25.501 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.432 9.672 24.818 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.235 9.440 25.811 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.770 11.761 25.127 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.155 11.619 25.621 1.00 0.00 H new ATOM 106 N LYS A 10 -6.085 4.298 25.780 1.00 0.00 N ATOM 107 CA LYS A 10 -6.186 2.875 25.503 1.00 0.00 C ATOM 108 C LYS A 10 -5.504 2.570 24.167 1.00 0.00 C ATOM 109 O LYS A 10 -5.655 3.319 23.203 1.00 0.00 O ATOM 110 CB LYS A 10 -7.645 2.419 25.566 1.00 0.00 C ATOM 111 CG LYS A 10 -8.453 3.004 24.405 1.00 0.00 C ATOM 112 CD LYS A 10 -9.945 2.713 24.575 1.00 0.00 C ATOM 113 CE LYS A 10 -10.369 1.510 23.730 1.00 0.00 C ATOM 114 NZ LYS A 10 -10.673 0.350 24.597 1.00 0.00 N ATOM 0 H LYS A 10 -6.977 4.791 25.809 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.663 2.300 26.267 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.691 1.330 25.534 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.086 2.729 26.513 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.293 4.081 24.352 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.101 2.582 23.463 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.164 2.520 25.625 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.525 3.589 24.284 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.246 1.767 23.135 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.574 1.251 23.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.959 -0.458 24.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.827 0.096 25.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.447 0.596 25.247 1.00 0.00 H new ATOM 128 N GLY A 11 -4.767 1.469 24.154 1.00 0.00 N ATOM 129 CA GLY A 11 -4.061 1.056 22.953 1.00 0.00 C ATOM 130 C GLY A 11 -4.579 -0.292 22.449 1.00 0.00 C ATOM 131 O GLY A 11 -3.930 -1.320 22.634 1.00 0.00 O ATOM 0 H GLY A 11 -4.643 0.851 24.956 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.185 1.811 22.176 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.993 0.985 23.161 1.00 0.00 H new ATOM 135 N ALA A 12 -5.745 -0.245 21.821 1.00 0.00 N ATOM 136 CA ALA A 12 -6.358 -1.450 21.288 1.00 0.00 C ATOM 137 C ALA A 12 -7.627 -1.074 20.519 1.00 0.00 C ATOM 138 O ALA A 12 -8.065 0.074 20.561 1.00 0.00 O ATOM 139 CB ALA A 12 -6.638 -2.428 22.431 1.00 0.00 C ATOM 0 H ALA A 12 -6.282 0.609 21.669 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.684 -1.947 20.590 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.098 -3.332 22.032 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.702 -2.685 22.927 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.314 -1.964 23.149 1.00 0.00 H new ATOM 145 N ALA A 13 -8.180 -2.065 19.835 1.00 0.00 N ATOM 146 CA ALA A 13 -9.389 -1.853 19.057 1.00 0.00 C ATOM 147 C ALA A 13 -9.122 -0.795 17.985 1.00 0.00 C ATOM 148 O ALA A 13 -8.184 -0.008 18.104 1.00 0.00 O ATOM 149 CB ALA A 13 -10.535 -1.459 19.992 1.00 0.00 C ATOM 0 H ALA A 13 -7.813 -3.016 19.803 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.684 -2.771 18.548 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.442 -1.300 19.409 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.704 -2.256 20.716 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.276 -0.540 20.518 1.00 0.00 H new ATOM 155 N SER A 14 -9.963 -0.809 16.962 1.00 0.00 N ATOM 156 CA SER A 14 -9.830 0.139 15.869 1.00 0.00 C ATOM 157 C SER A 14 -8.412 0.083 15.298 1.00 0.00 C ATOM 158 O SER A 14 -7.543 0.851 15.707 1.00 0.00 O ATOM 159 CB SER A 14 -10.160 1.560 16.330 1.00 0.00 C ATOM 160 OG SER A 14 -9.821 2.533 15.345 1.00 0.00 O ATOM 0 H SER A 14 -10.740 -1.463 16.867 1.00 0.00 H new ATOM 0 HA SER A 14 -10.540 -0.136 15.089 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.224 1.630 16.557 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.622 1.776 17.253 1.00 0.00 H new ATOM 0 HG SER A 14 -10.048 3.427 15.676 1.00 0.00 H new ATOM 166 N SER A 15 -8.221 -0.835 14.361 1.00 0.00 N ATOM 167 CA SER A 15 -6.924 -1.002 13.730 1.00 0.00 C ATOM 168 C SER A 15 -7.102 -1.351 12.251 1.00 0.00 C ATOM 169 O SER A 15 -8.072 -2.008 11.877 1.00 0.00 O ATOM 170 CB SER A 15 -6.103 -2.084 14.435 1.00 0.00 C ATOM 171 OG SER A 15 -5.238 -1.536 15.426 1.00 0.00 O ATOM 0 H SER A 15 -8.944 -1.471 14.024 1.00 0.00 H new ATOM 0 HA SER A 15 -6.381 -0.061 13.812 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.776 -2.805 14.899 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.512 -2.628 13.699 1.00 0.00 H new ATOM 0 HG SER A 15 -4.733 -2.258 15.854 1.00 0.00 H new ATOM 177 N VAL A 16 -6.151 -0.895 11.449 1.00 0.00 N ATOM 178 CA VAL A 16 -6.191 -1.150 10.019 1.00 0.00 C ATOM 179 C VAL A 16 -7.473 -0.552 9.434 1.00 0.00 C ATOM 180 O VAL A 16 -8.495 -0.479 10.115 1.00 0.00 O ATOM 181 CB VAL A 16 -6.056 -2.650 9.752 1.00 0.00 C ATOM 182 CG1 VAL A 16 -6.463 -2.991 8.317 1.00 0.00 C ATOM 183 CG2 VAL A 16 -4.635 -3.134 10.048 1.00 0.00 C ATOM 0 H VAL A 16 -5.348 -0.350 11.763 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.350 -0.667 9.521 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.735 -3.172 10.426 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.358 -4.064 8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.501 -2.699 8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.821 -2.453 7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.566 -4.204 9.850 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.929 -2.601 9.411 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.396 -2.943 11.094 1.00 0.00 H new ATOM 193 N LEU A 17 -7.376 -0.140 8.179 1.00 0.00 N ATOM 194 CA LEU A 17 -8.514 0.449 7.495 1.00 0.00 C ATOM 195 C LEU A 17 -9.191 -0.616 6.629 1.00 0.00 C ATOM 196 O LEU A 17 -8.516 -1.407 5.972 1.00 0.00 O ATOM 197 CB LEU A 17 -8.086 1.694 6.715 1.00 0.00 C ATOM 198 CG LEU A 17 -7.789 2.940 7.552 1.00 0.00 C ATOM 199 CD1 LEU A 17 -7.103 4.016 6.708 1.00 0.00 C ATOM 200 CD2 LEU A 17 -9.059 3.463 8.226 1.00 0.00 C ATOM 0 H LEU A 17 -6.527 -0.202 7.618 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.255 0.792 8.217 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.195 1.448 6.137 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.872 1.939 6.001 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.095 2.662 8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.903 4.891 7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.164 3.627 6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.753 4.298 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.820 4.349 8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.795 3.721 7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.468 2.692 8.880 1.00 0.00 H new ATOM 212 N GLU A 18 -10.516 -0.602 6.657 1.00 0.00 N ATOM 213 CA GLU A 18 -11.291 -1.556 5.884 1.00 0.00 C ATOM 214 C GLU A 18 -11.558 -1.010 4.480 1.00 0.00 C ATOM 215 O GLU A 18 -12.170 0.046 4.327 1.00 0.00 O ATOM 216 CB GLU A 18 -12.600 -1.904 6.595 1.00 0.00 C ATOM 217 CG GLU A 18 -13.606 -0.758 6.483 1.00 0.00 C ATOM 218 CD GLU A 18 -14.803 -0.986 7.408 1.00 0.00 C ATOM 219 OE1 GLU A 18 -15.587 -1.911 7.105 1.00 0.00 O ATOM 220 OE2 GLU A 18 -14.907 -0.229 8.398 1.00 0.00 O ATOM 0 H GLU A 18 -11.072 0.056 7.204 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.711 -2.474 5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.025 -2.809 6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.402 -2.117 7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.120 0.184 6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.950 -0.671 5.452 1.00 0.00 H new ATOM 227 N LEU A 19 -11.085 -1.753 3.490 1.00 0.00 N ATOM 228 CA LEU A 19 -11.265 -1.356 2.104 1.00 0.00 C ATOM 229 C LEU A 19 -12.756 -1.162 1.823 1.00 0.00 C ATOM 230 O LEU A 19 -13.593 -1.417 2.688 1.00 0.00 O ATOM 231 CB LEU A 19 -10.588 -2.358 1.167 1.00 0.00 C ATOM 232 CG LEU A 19 -9.059 -2.302 1.117 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.580 -1.003 0.465 1.00 0.00 C ATOM 234 CD2 LEU A 19 -8.457 -2.501 2.509 1.00 0.00 C ATOM 0 H LEU A 19 -10.577 -2.628 3.620 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.778 -0.399 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.885 -3.363 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.971 -2.199 0.159 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.707 -3.124 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.490 -0.988 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.966 -0.943 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.942 -0.152 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.370 -2.457 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.814 -1.715 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.758 -3.473 2.900 1.00 0.00 H new ATOM 246 N THR A 20 -13.044 -0.713 0.610 1.00 0.00 N ATOM 247 CA THR A 20 -14.420 -0.482 0.205 1.00 0.00 C ATOM 248 C THR A 20 -14.666 -1.051 -1.194 1.00 0.00 C ATOM 249 O THR A 20 -13.928 -1.922 -1.653 1.00 0.00 O ATOM 250 CB THR A 20 -14.698 1.019 0.308 1.00 0.00 C ATOM 251 OG1 THR A 20 -13.847 1.598 -0.677 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.203 1.617 1.626 1.00 0.00 C ATOM 0 H THR A 20 -12.348 -0.503 -0.105 1.00 0.00 H new ATOM 0 HA THR A 20 -15.118 -1.002 0.861 1.00 0.00 H new ATOM 0 HB THR A 20 -15.769 1.197 0.208 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.965 2.571 -0.680 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.425 2.684 1.648 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.704 1.125 2.460 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.127 1.469 1.711 1.00 0.00 H new ATOM 260 N GLU A 21 -15.706 -0.536 -1.833 1.00 0.00 N ATOM 261 CA GLU A 21 -16.059 -0.981 -3.171 1.00 0.00 C ATOM 262 C GLU A 21 -15.075 -0.413 -4.196 1.00 0.00 C ATOM 263 O GLU A 21 -14.686 -1.104 -5.137 1.00 0.00 O ATOM 264 CB GLU A 21 -17.497 -0.592 -3.517 1.00 0.00 C ATOM 265 CG GLU A 21 -18.193 -1.706 -4.301 1.00 0.00 C ATOM 266 CD GLU A 21 -19.269 -1.136 -5.227 1.00 0.00 C ATOM 267 OE1 GLU A 21 -18.877 -0.524 -6.244 1.00 0.00 O ATOM 268 OE2 GLU A 21 -20.460 -1.324 -4.897 1.00 0.00 O ATOM 0 H GLU A 21 -16.316 0.186 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.996 -2.069 -3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.052 -0.385 -2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.498 0.326 -4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.458 -2.256 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.644 -2.416 -3.608 1.00 0.00 H new ATOM 275 N ALA A 22 -14.701 0.839 -3.979 1.00 0.00 N ATOM 276 CA ALA A 22 -13.771 1.508 -4.873 1.00 0.00 C ATOM 277 C ALA A 22 -12.340 1.116 -4.497 1.00 0.00 C ATOM 278 O ALA A 22 -11.609 0.561 -5.316 1.00 0.00 O ATOM 279 CB ALA A 22 -13.998 3.019 -4.808 1.00 0.00 C ATOM 0 H ALA A 22 -15.025 1.408 -3.197 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.938 1.198 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.300 3.521 -5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.020 3.247 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.836 3.368 -3.788 1.00 0.00 H new ATOM 285 N GLU A 23 -11.983 1.421 -3.258 1.00 0.00 N ATOM 286 CA GLU A 23 -10.652 1.109 -2.765 1.00 0.00 C ATOM 287 C GLU A 23 -10.236 -0.294 -3.212 1.00 0.00 C ATOM 288 O GLU A 23 -9.175 -0.470 -3.809 1.00 0.00 O ATOM 289 CB GLU A 23 -10.588 1.240 -1.242 1.00 0.00 C ATOM 290 CG GLU A 23 -9.885 2.536 -0.832 1.00 0.00 C ATOM 291 CD GLU A 23 -8.431 2.544 -1.306 1.00 0.00 C ATOM 292 OE1 GLU A 23 -8.097 1.664 -2.129 1.00 0.00 O ATOM 293 OE2 GLU A 23 -7.686 3.431 -0.836 1.00 0.00 O ATOM 0 H GLU A 23 -12.592 1.881 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.950 1.827 -3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.597 1.223 -0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.057 0.386 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.414 3.390 -1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.919 2.645 0.252 1.00 0.00 H new ATOM 300 N LEU A 24 -11.094 -1.257 -2.907 1.00 0.00 N ATOM 301 CA LEU A 24 -10.829 -2.638 -3.270 1.00 0.00 C ATOM 302 C LEU A 24 -10.212 -2.684 -4.670 1.00 0.00 C ATOM 303 O LEU A 24 -9.155 -3.280 -4.867 1.00 0.00 O ATOM 304 CB LEU A 24 -12.097 -3.482 -3.129 1.00 0.00 C ATOM 305 CG LEU A 24 -12.325 -4.127 -1.760 1.00 0.00 C ATOM 306 CD1 LEU A 24 -13.660 -4.874 -1.722 1.00 0.00 C ATOM 307 CD2 LEU A 24 -11.151 -5.030 -1.377 1.00 0.00 C ATOM 0 H LEU A 24 -11.973 -1.107 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.103 -3.079 -2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.956 -2.852 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.070 -4.271 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.378 -3.335 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.798 -5.323 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.473 -4.176 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.661 -5.656 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.338 -5.476 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.041 -5.819 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.236 -4.439 -1.337 1.00 0.00 H new ATOM 319 N VAL A 25 -10.899 -2.045 -5.605 1.00 0.00 N ATOM 320 CA VAL A 25 -10.433 -2.005 -6.981 1.00 0.00 C ATOM 321 C VAL A 25 -9.028 -1.399 -7.021 1.00 0.00 C ATOM 322 O VAL A 25 -8.129 -1.948 -7.655 1.00 0.00 O ATOM 323 CB VAL A 25 -11.436 -1.247 -7.852 1.00 0.00 C ATOM 324 CG1 VAL A 25 -10.927 -1.119 -9.289 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.811 -1.917 -7.815 1.00 0.00 C ATOM 0 H VAL A 25 -11.775 -1.550 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.365 -3.013 -7.391 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.542 -0.242 -7.443 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.659 -0.576 -9.887 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.981 -0.577 -9.293 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.778 -2.112 -9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.505 -1.358 -8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.728 -2.938 -8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.181 -1.933 -6.790 1.00 0.00 H new ATOM 335 N THR A 26 -8.884 -0.275 -6.335 1.00 0.00 N ATOM 336 CA THR A 26 -7.604 0.412 -6.284 1.00 0.00 C ATOM 337 C THR A 26 -6.537 -0.495 -5.669 1.00 0.00 C ATOM 338 O THR A 26 -5.428 -0.598 -6.192 1.00 0.00 O ATOM 339 CB THR A 26 -7.801 1.723 -5.520 1.00 0.00 C ATOM 340 OG1 THR A 26 -8.440 2.581 -6.462 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.478 2.426 -5.213 1.00 0.00 C ATOM 0 H THR A 26 -9.632 0.177 -5.810 1.00 0.00 H new ATOM 0 HA THR A 26 -7.244 0.653 -7.284 1.00 0.00 H new ATOM 0 HB THR A 26 -8.331 1.524 -4.588 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.607 3.454 -6.049 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.675 3.351 -4.670 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.852 1.774 -4.604 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.963 2.656 -6.146 1.00 0.00 H new ATOM 349 N ALA A 27 -6.908 -1.129 -4.567 1.00 0.00 N ATOM 350 CA ALA A 27 -5.996 -2.024 -3.875 1.00 0.00 C ATOM 351 C ALA A 27 -5.514 -3.104 -4.845 1.00 0.00 C ATOM 352 O ALA A 27 -4.361 -3.528 -4.785 1.00 0.00 O ATOM 353 CB ALA A 27 -6.692 -2.613 -2.646 1.00 0.00 C ATOM 0 H ALA A 27 -7.828 -1.041 -4.136 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.119 -1.481 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.008 -3.284 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.988 -1.807 -1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.576 -3.168 -2.960 1.00 0.00 H new ATOM 359 N GLU A 28 -6.421 -3.519 -5.717 1.00 0.00 N ATOM 360 CA GLU A 28 -6.103 -4.542 -6.699 1.00 0.00 C ATOM 361 C GLU A 28 -5.174 -3.975 -7.774 1.00 0.00 C ATOM 362 O GLU A 28 -4.279 -4.668 -8.255 1.00 0.00 O ATOM 363 CB GLU A 28 -7.376 -5.118 -7.322 1.00 0.00 C ATOM 364 CG GLU A 28 -7.917 -6.281 -6.488 1.00 0.00 C ATOM 365 CD GLU A 28 -7.819 -7.600 -7.258 1.00 0.00 C ATOM 366 OE1 GLU A 28 -6.685 -8.115 -7.360 1.00 0.00 O ATOM 367 OE2 GLU A 28 -8.881 -8.063 -7.727 1.00 0.00 O ATOM 0 H GLU A 28 -7.377 -3.165 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.585 -5.357 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.133 -4.338 -7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.167 -5.459 -8.336 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.356 -6.357 -5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.956 -6.089 -6.220 1.00 0.00 H new ATOM 374 N ALA A 29 -5.419 -2.719 -8.120 1.00 0.00 N ATOM 375 CA ALA A 29 -4.615 -2.051 -9.129 1.00 0.00 C ATOM 376 C ALA A 29 -3.162 -1.984 -8.656 1.00 0.00 C ATOM 377 O ALA A 29 -2.243 -2.290 -9.414 1.00 0.00 O ATOM 378 CB ALA A 29 -5.201 -0.666 -9.413 1.00 0.00 C ATOM 0 H ALA A 29 -6.163 -2.147 -7.719 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.631 -2.610 -10.065 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.598 -0.164 -10.170 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.224 -0.771 -9.775 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.199 -0.075 -8.497 1.00 0.00 H new ATOM 384 N VAL A 30 -2.999 -1.581 -7.404 1.00 0.00 N ATOM 385 CA VAL A 30 -1.673 -1.469 -6.820 1.00 0.00 C ATOM 386 C VAL A 30 -0.996 -2.841 -6.838 1.00 0.00 C ATOM 387 O VAL A 30 0.180 -2.952 -7.183 1.00 0.00 O ATOM 388 CB VAL A 30 -1.768 -0.867 -5.417 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.481 -1.114 -4.626 1.00 0.00 C ATOM 390 CG2 VAL A 30 -2.094 0.626 -5.482 1.00 0.00 C ATOM 0 H VAL A 30 -3.763 -1.328 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.052 -0.792 -7.407 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.584 -1.365 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.575 -0.676 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.310 -2.187 -4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.360 -0.655 -5.147 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.156 1.029 -4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.310 1.146 -6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.049 0.768 -5.988 1.00 0.00 H new ATOM 400 N ARG A 31 -1.767 -3.851 -6.462 1.00 0.00 N ATOM 401 CA ARG A 31 -1.256 -5.211 -6.431 1.00 0.00 C ATOM 402 C ARG A 31 -0.585 -5.557 -7.762 1.00 0.00 C ATOM 403 O ARG A 31 0.468 -6.192 -7.783 1.00 0.00 O ATOM 404 CB ARG A 31 -2.378 -6.214 -6.156 1.00 0.00 C ATOM 405 CG ARG A 31 -1.815 -7.620 -5.938 1.00 0.00 C ATOM 406 CD ARG A 31 -2.625 -8.378 -4.884 1.00 0.00 C ATOM 407 NE ARG A 31 -3.556 -9.321 -5.544 1.00 0.00 N ATOM 408 CZ ARG A 31 -4.041 -10.427 -4.964 1.00 0.00 C ATOM 409 NH1 ARG A 31 -3.686 -10.736 -3.709 1.00 0.00 N ATOM 410 NH2 ARG A 31 -4.880 -11.224 -5.638 1.00 0.00 N ATOM 0 H ARG A 31 -2.741 -3.755 -6.176 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.524 -5.272 -5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.941 -5.903 -5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.076 -6.223 -6.993 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.829 -8.171 -6.878 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.774 -7.554 -5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.954 -8.922 -4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.184 -7.674 -4.267 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.846 -9.116 -6.500 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.047 -10.129 -3.196 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.055 -11.578 -3.267 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.150 -10.989 -6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.249 -12.066 -5.196 1.00 0.00 H new ATOM 424 N SER A 32 -1.223 -5.125 -8.839 1.00 0.00 N ATOM 425 CA SER A 32 -0.702 -5.381 -10.171 1.00 0.00 C ATOM 426 C SER A 32 0.698 -4.779 -10.310 1.00 0.00 C ATOM 427 O SER A 32 1.555 -5.342 -10.988 1.00 0.00 O ATOM 428 CB SER A 32 -1.632 -4.814 -11.245 1.00 0.00 C ATOM 429 OG SER A 32 -1.510 -5.514 -12.481 1.00 0.00 O ATOM 0 H SER A 32 -2.097 -4.599 -8.817 1.00 0.00 H new ATOM 0 HA SER A 32 -0.643 -6.460 -10.313 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.664 -4.869 -10.897 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.405 -3.760 -11.402 1.00 0.00 H new ATOM 0 HG SER A 32 -2.121 -5.123 -13.140 1.00 0.00 H new ATOM 435 N VAL A 33 0.886 -3.642 -9.655 1.00 0.00 N ATOM 436 CA VAL A 33 2.167 -2.958 -9.697 1.00 0.00 C ATOM 437 C VAL A 33 3.252 -3.882 -9.141 1.00 0.00 C ATOM 438 O VAL A 33 4.289 -4.079 -9.774 1.00 0.00 O ATOM 439 CB VAL A 33 2.074 -1.627 -8.948 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.384 -0.844 -9.057 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.894 -0.794 -9.455 1.00 0.00 C ATOM 0 H VAL A 33 0.173 -3.178 -9.093 1.00 0.00 H new ATOM 0 HA VAL A 33 2.439 -2.719 -10.725 1.00 0.00 H new ATOM 0 HB VAL A 33 1.901 -1.847 -7.894 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.291 0.098 -8.516 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.196 -1.431 -8.627 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.600 -0.640 -10.106 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.850 0.147 -8.906 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.024 -0.589 -10.518 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.033 -1.346 -9.303 1.00 0.00 H new ATOM 451 N TRP A 34 2.977 -4.423 -7.963 1.00 0.00 N ATOM 452 CA TRP A 34 3.918 -5.321 -7.315 1.00 0.00 C ATOM 453 C TRP A 34 4.182 -6.493 -8.262 1.00 0.00 C ATOM 454 O TRP A 34 5.323 -6.734 -8.654 1.00 0.00 O ATOM 455 CB TRP A 34 3.397 -5.765 -5.946 1.00 0.00 C ATOM 456 CG TRP A 34 3.478 -4.682 -4.869 1.00 0.00 C ATOM 457 CD1 TRP A 34 3.298 -3.362 -5.011 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.768 -4.881 -3.469 1.00 0.00 C ATOM 459 NE1 TRP A 34 3.451 -2.698 -3.811 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.745 -3.652 -2.843 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.040 -6.062 -2.756 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.987 -3.484 -1.475 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.280 -5.877 -1.389 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.261 -4.646 -0.744 1.00 0.00 C ATOM 0 H TRP A 34 2.117 -4.257 -7.441 1.00 0.00 H new ATOM 0 HA TRP A 34 4.862 -4.813 -7.117 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.360 -6.084 -6.049 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.966 -6.634 -5.616 1.00 0.00 H new ATOM 0 HD1 TRP A 34 3.063 -2.878 -5.947 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.364 -1.693 -3.662 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.062 -7.034 -3.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.964 -2.510 -1.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.495 -6.752 -0.794 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.457 -4.586 0.316 1.00 0.00 H new ATOM 475 N GLN A 35 3.109 -7.191 -8.604 1.00 0.00 N ATOM 476 CA GLN A 35 3.211 -8.332 -9.498 1.00 0.00 C ATOM 477 C GLN A 35 4.027 -7.963 -10.738 1.00 0.00 C ATOM 478 O GLN A 35 5.054 -8.580 -11.016 1.00 0.00 O ATOM 479 CB GLN A 35 1.824 -8.848 -9.888 1.00 0.00 C ATOM 480 CG GLN A 35 1.113 -9.470 -8.684 1.00 0.00 C ATOM 481 CD GLN A 35 0.683 -10.908 -8.984 1.00 0.00 C ATOM 482 OE1 GLN A 35 -0.407 -11.170 -9.464 1.00 0.00 O ATOM 483 NE2 GLN A 35 1.599 -11.821 -8.675 1.00 0.00 N ATOM 0 H GLN A 35 2.164 -6.988 -8.278 1.00 0.00 H new ATOM 0 HA GLN A 35 3.727 -9.136 -8.973 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.225 -8.028 -10.285 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.917 -9.588 -10.682 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.776 -9.458 -7.819 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.239 -8.872 -8.424 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.492 -11.533 -8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.409 -12.810 -8.837 1.00 0.00 H new ATOM 492 N ARG A 36 3.540 -6.957 -11.450 1.00 0.00 N ATOM 493 CA ARG A 36 4.211 -6.499 -12.655 1.00 0.00 C ATOM 494 C ARG A 36 5.700 -6.276 -12.380 1.00 0.00 C ATOM 495 O ARG A 36 6.551 -6.786 -13.106 1.00 0.00 O ATOM 496 CB ARG A 36 3.594 -5.196 -13.167 1.00 0.00 C ATOM 497 CG ARG A 36 2.373 -5.476 -14.046 1.00 0.00 C ATOM 498 CD ARG A 36 2.072 -4.288 -14.962 1.00 0.00 C ATOM 499 NE ARG A 36 1.420 -4.759 -16.204 1.00 0.00 N ATOM 500 CZ ARG A 36 0.915 -3.946 -17.142 1.00 0.00 C ATOM 501 NH1 ARG A 36 0.984 -2.617 -16.985 1.00 0.00 N ATOM 502 NH2 ARG A 36 0.341 -4.462 -18.237 1.00 0.00 N ATOM 0 H ARG A 36 2.689 -6.446 -11.215 1.00 0.00 H new ATOM 0 HA ARG A 36 4.089 -7.269 -13.416 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.303 -4.571 -12.323 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.336 -4.637 -13.737 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.550 -6.368 -14.647 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.507 -5.683 -13.417 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.424 -3.577 -14.449 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.995 -3.761 -15.203 1.00 0.00 H new ATOM 0 HE ARG A 36 1.351 -5.765 -16.356 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.421 -2.224 -16.151 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.600 -1.998 -17.699 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.288 -5.474 -18.357 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.043 -3.843 -18.951 1.00 0.00 H new ATOM 516 N ILE A 37 5.968 -5.514 -11.330 1.00 0.00 N ATOM 517 CA ILE A 37 7.339 -5.217 -10.951 1.00 0.00 C ATOM 518 C ILE A 37 8.050 -6.517 -10.571 1.00 0.00 C ATOM 519 O ILE A 37 8.897 -7.007 -11.317 1.00 0.00 O ATOM 520 CB ILE A 37 7.373 -4.154 -9.852 1.00 0.00 C ATOM 521 CG1 ILE A 37 6.917 -2.795 -10.389 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.756 -4.079 -9.204 1.00 0.00 C ATOM 523 CD1 ILE A 37 7.059 -1.708 -9.322 1.00 0.00 C ATOM 0 H ILE A 37 5.259 -5.093 -10.730 1.00 0.00 H new ATOM 0 HA ILE A 37 7.883 -4.789 -11.793 1.00 0.00 H new ATOM 0 HB ILE A 37 6.668 -4.446 -9.073 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.509 -2.529 -11.265 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.878 -2.858 -10.713 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.752 -3.315 -8.426 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.004 -5.045 -8.763 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.499 -3.823 -9.960 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.728 -0.753 -9.730 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.447 -1.965 -8.457 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.103 -1.631 -9.018 1.00 0.00 H new ATOM 535 N LEU A 38 7.681 -7.039 -9.410 1.00 0.00 N ATOM 536 CA LEU A 38 8.273 -8.273 -8.922 1.00 0.00 C ATOM 537 C LEU A 38 8.045 -9.384 -9.948 1.00 0.00 C ATOM 538 O LEU A 38 6.917 -9.839 -10.135 1.00 0.00 O ATOM 539 CB LEU A 38 7.743 -8.606 -7.526 1.00 0.00 C ATOM 540 CG LEU A 38 7.969 -7.541 -6.451 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.024 -7.749 -5.266 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.435 -7.504 -6.015 1.00 0.00 C ATOM 0 H LEU A 38 6.979 -6.630 -8.793 1.00 0.00 H new ATOM 0 HA LEU A 38 9.351 -8.160 -8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.672 -8.796 -7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.209 -9.534 -7.194 1.00 0.00 H new ATOM 0 HG LEU A 38 7.737 -6.567 -6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.205 -6.979 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.991 -7.686 -5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.201 -8.731 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.568 -6.739 -5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.719 -8.475 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.064 -7.272 -6.874 1.00 0.00 H new ATOM 554 N PRO A 39 9.162 -9.801 -10.603 1.00 0.00 N ATOM 555 CA PRO A 39 9.094 -10.850 -11.605 1.00 0.00 C ATOM 556 C PRO A 39 8.924 -12.223 -10.951 1.00 0.00 C ATOM 557 O PRO A 39 7.846 -12.812 -11.007 1.00 0.00 O ATOM 558 CB PRO A 39 10.387 -10.724 -12.395 1.00 0.00 C ATOM 559 CG PRO A 39 11.333 -9.919 -11.519 1.00 0.00 C ATOM 560 CD PRO A 39 10.513 -9.285 -10.408 1.00 0.00 C ATOM 0 HA PRO A 39 8.230 -10.749 -12.262 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.804 -11.705 -12.621 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.215 -10.223 -13.348 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.108 -10.562 -11.102 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.838 -9.152 -12.106 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.902 -9.554 -9.426 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.534 -8.197 -10.472 1.00 0.00 H new ATOM 568 N LYS A 40 10.005 -12.692 -10.346 1.00 0.00 N ATOM 569 CA LYS A 40 9.990 -13.984 -9.682 1.00 0.00 C ATOM 570 C LYS A 40 8.662 -14.156 -8.941 1.00 0.00 C ATOM 571 O LYS A 40 8.075 -15.237 -8.955 1.00 0.00 O ATOM 572 CB LYS A 40 11.219 -14.140 -8.784 1.00 0.00 C ATOM 573 CG LYS A 40 12.489 -14.314 -9.619 1.00 0.00 C ATOM 574 CD LYS A 40 13.724 -14.424 -8.723 1.00 0.00 C ATOM 575 CE LYS A 40 14.977 -13.938 -9.454 1.00 0.00 C ATOM 576 NZ LYS A 40 15.249 -14.785 -10.636 1.00 0.00 N ATOM 0 H LYS A 40 10.897 -12.200 -10.302 1.00 0.00 H new ATOM 0 HA LYS A 40 10.055 -14.789 -10.414 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.318 -13.265 -8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.089 -15.002 -8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.403 -15.208 -10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.601 -13.468 -10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.575 -13.835 -7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.860 -15.459 -8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.845 -12.902 -9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.832 -13.962 -8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.172 -14.529 -11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.261 -15.785 -10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.505 -14.637 -11.348 1.00 0.00 H new ATOM 590 N VAL A 41 8.227 -13.074 -8.312 1.00 0.00 N ATOM 591 CA VAL A 41 6.980 -13.092 -7.568 1.00 0.00 C ATOM 592 C VAL A 41 5.832 -13.457 -8.512 1.00 0.00 C ATOM 593 O VAL A 41 5.530 -12.713 -9.444 1.00 0.00 O ATOM 594 CB VAL A 41 6.771 -11.749 -6.864 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.392 -11.684 -6.206 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.879 -11.487 -5.843 1.00 0.00 C ATOM 0 H VAL A 41 8.716 -12.179 -8.303 1.00 0.00 H new ATOM 0 HA VAL A 41 7.013 -13.852 -6.787 1.00 0.00 H new ATOM 0 HB VAL A 41 6.819 -10.964 -7.619 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.269 -10.720 -5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.620 -11.804 -6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.302 -12.482 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.707 -10.527 -5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.877 -12.278 -5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.844 -11.469 -6.350 1.00 0.00 H new ATOM 606 N LEU A 42 5.224 -14.602 -8.238 1.00 0.00 N ATOM 607 CA LEU A 42 4.117 -15.074 -9.052 1.00 0.00 C ATOM 608 C LEU A 42 2.797 -14.638 -8.412 1.00 0.00 C ATOM 609 O LEU A 42 1.805 -14.430 -9.108 1.00 0.00 O ATOM 610 CB LEU A 42 4.223 -16.584 -9.276 1.00 0.00 C ATOM 611 CG LEU A 42 5.270 -17.039 -10.294 1.00 0.00 C ATOM 612 CD1 LEU A 42 6.383 -17.840 -9.615 1.00 0.00 C ATOM 613 CD2 LEU A 42 4.619 -17.819 -11.439 1.00 0.00 C ATOM 0 H LEU A 42 5.477 -15.216 -7.464 1.00 0.00 H new ATOM 0 HA LEU A 42 4.154 -14.624 -10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.444 -17.058 -8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.249 -16.953 -9.597 1.00 0.00 H new ATOM 0 HG LEU A 42 5.731 -16.152 -10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.114 -18.151 -10.361 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.872 -17.219 -8.865 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.957 -18.721 -9.135 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.385 -18.131 -12.149 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.115 -18.699 -11.039 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.893 -17.183 -11.945 1.00 0.00 H new ATOM 625 N GLU A 43 2.829 -14.513 -7.093 1.00 0.00 N ATOM 626 CA GLU A 43 1.648 -14.106 -6.352 1.00 0.00 C ATOM 627 C GLU A 43 2.023 -13.088 -5.273 1.00 0.00 C ATOM 628 O GLU A 43 3.050 -13.230 -4.611 1.00 0.00 O ATOM 629 CB GLU A 43 0.940 -15.317 -5.740 1.00 0.00 C ATOM 630 CG GLU A 43 -0.145 -14.878 -4.755 1.00 0.00 C ATOM 631 CD GLU A 43 -1.445 -15.649 -4.991 1.00 0.00 C ATOM 632 OE1 GLU A 43 -1.945 -15.583 -6.134 1.00 0.00 O ATOM 633 OE2 GLU A 43 -1.909 -16.288 -4.022 1.00 0.00 O ATOM 0 H GLU A 43 3.654 -14.686 -6.519 1.00 0.00 H new ATOM 0 HA GLU A 43 0.953 -13.632 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.495 -15.921 -6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.667 -15.948 -5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.199 -15.042 -3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.328 -13.809 -4.863 1.00 0.00 H new ATOM 640 N VAL A 44 1.171 -12.084 -5.130 1.00 0.00 N ATOM 641 CA VAL A 44 1.400 -11.042 -4.143 1.00 0.00 C ATOM 642 C VAL A 44 0.309 -11.111 -3.073 1.00 0.00 C ATOM 643 O VAL A 44 -0.858 -10.841 -3.353 1.00 0.00 O ATOM 644 CB VAL A 44 1.478 -9.678 -4.830 1.00 0.00 C ATOM 645 CG1 VAL A 44 1.040 -8.560 -3.882 1.00 0.00 C ATOM 646 CG2 VAL A 44 2.885 -9.417 -5.372 1.00 0.00 C ATOM 0 H VAL A 44 0.320 -11.970 -5.681 1.00 0.00 H new ATOM 0 HA VAL A 44 2.356 -11.194 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 44 0.790 -9.689 -5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.105 -7.601 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.011 -8.733 -3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.691 -8.548 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.913 -8.441 -5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.601 -9.436 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.145 -10.189 -6.097 1.00 0.00 H new ATOM 656 N GLU A 45 0.727 -11.473 -1.869 1.00 0.00 N ATOM 657 CA GLU A 45 -0.200 -11.580 -0.755 1.00 0.00 C ATOM 658 C GLU A 45 0.091 -10.496 0.284 1.00 0.00 C ATOM 659 O GLU A 45 0.917 -9.614 0.052 1.00 0.00 O ATOM 660 CB GLU A 45 -0.143 -12.973 -0.126 1.00 0.00 C ATOM 661 CG GLU A 45 1.278 -13.309 0.332 1.00 0.00 C ATOM 662 CD GLU A 45 1.886 -14.415 -0.534 1.00 0.00 C ATOM 663 OE1 GLU A 45 1.423 -14.551 -1.687 1.00 0.00 O ATOM 664 OE2 GLU A 45 2.798 -15.099 -0.023 1.00 0.00 O ATOM 0 H GLU A 45 1.696 -11.696 -1.640 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.211 -11.430 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.824 -13.021 0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.482 -13.716 -0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.902 -12.417 0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.263 -13.626 1.375 1.00 0.00 H new ATOM 671 N ASP A 46 -0.603 -10.597 1.409 1.00 0.00 N ATOM 672 CA ASP A 46 -0.429 -9.636 2.484 1.00 0.00 C ATOM 673 C ASP A 46 0.873 -9.939 3.228 1.00 0.00 C ATOM 674 O ASP A 46 1.401 -9.084 3.937 1.00 0.00 O ATOM 675 CB ASP A 46 -1.579 -9.721 3.490 1.00 0.00 C ATOM 676 CG ASP A 46 -1.811 -11.109 4.091 1.00 0.00 C ATOM 677 OD1 ASP A 46 -0.962 -11.521 4.911 1.00 0.00 O ATOM 678 OD2 ASP A 46 -2.831 -11.726 3.717 1.00 0.00 O ATOM 0 H ASP A 46 -1.287 -11.330 1.599 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.407 -8.639 2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.385 -9.018 4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.496 -9.396 2.999 1.00 0.00 H new ATOM 683 N SER A 47 1.353 -11.160 3.040 1.00 0.00 N ATOM 684 CA SER A 47 2.584 -11.587 3.684 1.00 0.00 C ATOM 685 C SER A 47 3.773 -11.343 2.754 1.00 0.00 C ATOM 686 O SER A 47 4.924 -11.512 3.154 1.00 0.00 O ATOM 687 CB SER A 47 2.514 -13.063 4.082 1.00 0.00 C ATOM 688 OG SER A 47 3.041 -13.290 5.386 1.00 0.00 O ATOM 0 H SER A 47 0.912 -11.867 2.451 1.00 0.00 H new ATOM 0 HA SER A 47 2.716 -11.000 4.593 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.478 -13.399 4.046 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.068 -13.660 3.358 1.00 0.00 H new ATOM 0 HG SER A 47 2.977 -14.243 5.603 1.00 0.00 H new ATOM 694 N THR A 48 3.455 -10.951 1.529 1.00 0.00 N ATOM 695 CA THR A 48 4.483 -10.683 0.538 1.00 0.00 C ATOM 696 C THR A 48 5.191 -9.362 0.847 1.00 0.00 C ATOM 697 O THR A 48 4.547 -8.318 0.950 1.00 0.00 O ATOM 698 CB THR A 48 3.827 -10.712 -0.844 1.00 0.00 C ATOM 699 OG1 THR A 48 3.897 -12.081 -1.233 1.00 0.00 O ATOM 700 CG2 THR A 48 4.658 -9.982 -1.902 1.00 0.00 C ATOM 0 H THR A 48 2.499 -10.813 1.200 1.00 0.00 H new ATOM 0 HA THR A 48 5.262 -11.446 0.560 1.00 0.00 H new ATOM 0 HB THR A 48 2.836 -10.261 -0.785 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.641 -12.167 -2.175 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.148 -10.032 -2.864 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.782 -8.939 -1.611 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.637 -10.454 -1.985 1.00 0.00 H new ATOM 708 N ASP A 49 6.505 -9.450 0.987 1.00 0.00 N ATOM 709 CA ASP A 49 7.307 -8.274 1.283 1.00 0.00 C ATOM 710 C ASP A 49 7.881 -7.713 -0.020 1.00 0.00 C ATOM 711 O ASP A 49 8.567 -8.421 -0.755 1.00 0.00 O ATOM 712 CB ASP A 49 8.477 -8.623 2.204 1.00 0.00 C ATOM 713 CG ASP A 49 8.799 -7.571 3.267 1.00 0.00 C ATOM 714 OD1 ASP A 49 8.207 -7.673 4.364 1.00 0.00 O ATOM 715 OD2 ASP A 49 9.630 -6.690 2.960 1.00 0.00 O ATOM 0 H ASP A 49 7.035 -10.317 0.901 1.00 0.00 H new ATOM 0 HA ASP A 49 6.666 -7.543 1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.258 -9.567 2.703 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.365 -8.784 1.593 1.00 0.00 H new ATOM 720 N PHE A 50 7.579 -6.447 -0.265 1.00 0.00 N ATOM 721 CA PHE A 50 8.057 -5.783 -1.466 1.00 0.00 C ATOM 722 C PHE A 50 9.578 -5.902 -1.590 1.00 0.00 C ATOM 723 O PHE A 50 10.112 -5.939 -2.697 1.00 0.00 O ATOM 724 CB PHE A 50 7.682 -4.305 -1.339 1.00 0.00 C ATOM 725 CG PHE A 50 7.999 -3.474 -2.584 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.481 -3.829 -3.790 1.00 0.00 C ATOM 727 CD2 PHE A 50 8.800 -2.379 -2.484 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.775 -3.058 -4.945 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.095 -1.607 -3.639 1.00 0.00 C ATOM 730 CZ PHE A 50 8.576 -1.963 -4.845 1.00 0.00 C ATOM 0 H PHE A 50 7.009 -5.863 0.347 1.00 0.00 H new ATOM 0 HA PHE A 50 7.610 -6.242 -2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.616 -4.228 -1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.210 -3.879 -0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.845 -4.698 -3.869 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.212 -2.097 -1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.363 -3.341 -5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.731 -0.738 -3.560 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.800 -1.376 -5.723 1.00 0.00 H new ATOM 740 N PHE A 51 10.231 -5.958 -0.439 1.00 0.00 N ATOM 741 CA PHE A 51 11.679 -6.072 -0.405 1.00 0.00 C ATOM 742 C PHE A 51 12.118 -7.528 -0.575 1.00 0.00 C ATOM 743 O PHE A 51 12.788 -7.868 -1.549 1.00 0.00 O ATOM 744 CB PHE A 51 12.135 -5.571 0.967 1.00 0.00 C ATOM 745 CG PHE A 51 11.741 -4.123 1.263 1.00 0.00 C ATOM 746 CD1 PHE A 51 11.601 -3.234 0.243 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.531 -3.724 2.546 1.00 0.00 C ATOM 748 CE1 PHE A 51 11.236 -1.890 0.518 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.166 -2.380 2.821 1.00 0.00 C ATOM 750 CZ PHE A 51 11.026 -1.491 1.801 1.00 0.00 C ATOM 0 H PHE A 51 9.784 -5.927 0.477 1.00 0.00 H new ATOM 0 HA PHE A 51 12.117 -5.491 -1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.712 -6.216 1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.219 -5.663 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 51 11.768 -3.551 -0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.642 -4.430 3.356 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.125 -1.184 -0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.999 -2.063 3.840 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.748 -0.469 2.010 1.00 0.00 H new ATOM 760 N LYS A 52 11.724 -8.348 0.388 1.00 0.00 N ATOM 761 CA LYS A 52 12.069 -9.759 0.357 1.00 0.00 C ATOM 762 C LYS A 52 11.852 -10.302 -1.057 1.00 0.00 C ATOM 763 O LYS A 52 12.647 -11.103 -1.547 1.00 0.00 O ATOM 764 CB LYS A 52 11.296 -10.524 1.434 1.00 0.00 C ATOM 765 CG LYS A 52 11.510 -9.896 2.812 1.00 0.00 C ATOM 766 CD LYS A 52 11.374 -10.943 3.919 1.00 0.00 C ATOM 767 CE LYS A 52 9.961 -10.939 4.507 1.00 0.00 C ATOM 768 NZ LYS A 52 9.855 -11.922 5.608 1.00 0.00 N ATOM 0 H LYS A 52 11.169 -8.062 1.195 1.00 0.00 H new ATOM 0 HA LYS A 52 13.124 -9.898 0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.233 -10.525 1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.621 -11.564 1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.499 -9.439 2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.783 -9.099 2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.603 -11.931 3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.100 -10.741 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.717 -9.943 4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.236 -11.177 3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.890 -11.906 5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.067 -12.873 5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.533 -11.678 6.358 1.00 0.00 H new ATOM 782 N SER A 53 10.773 -9.843 -1.674 1.00 0.00 N ATOM 783 CA SER A 53 10.442 -10.273 -3.022 1.00 0.00 C ATOM 784 C SER A 53 11.658 -10.112 -3.936 1.00 0.00 C ATOM 785 O SER A 53 11.921 -10.966 -4.781 1.00 0.00 O ATOM 786 CB SER A 53 9.254 -9.483 -3.575 1.00 0.00 C ATOM 787 OG SER A 53 8.007 -10.024 -3.147 1.00 0.00 O ATOM 0 H SER A 53 10.117 -9.178 -1.265 1.00 0.00 H new ATOM 0 HA SER A 53 10.160 -11.325 -2.986 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.328 -8.444 -3.253 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.294 -9.483 -4.664 1.00 0.00 H new ATOM 0 HG SER A 53 7.794 -9.686 -2.252 1.00 0.00 H new ATOM 793 N GLY A 54 12.367 -9.010 -3.735 1.00 0.00 N ATOM 794 CA GLY A 54 13.550 -8.727 -4.531 1.00 0.00 C ATOM 795 C GLY A 54 13.445 -7.354 -5.198 1.00 0.00 C ATOM 796 O GLY A 54 13.819 -7.193 -6.359 1.00 0.00 O ATOM 0 H GLY A 54 12.145 -8.304 -3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.436 -8.761 -3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.673 -9.497 -5.293 1.00 0.00 H new ATOM 800 N ALA A 55 12.934 -6.398 -4.435 1.00 0.00 N ATOM 801 CA ALA A 55 12.776 -5.044 -4.938 1.00 0.00 C ATOM 802 C ALA A 55 13.987 -4.206 -4.523 1.00 0.00 C ATOM 803 O ALA A 55 14.374 -4.203 -3.356 1.00 0.00 O ATOM 804 CB ALA A 55 11.459 -4.460 -4.424 1.00 0.00 C ATOM 0 H ALA A 55 12.624 -6.535 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 55 12.731 -5.041 -6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.340 -3.444 -4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.629 -5.075 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.469 -4.444 -3.334 1.00 0.00 H new ATOM 810 N ALA A 56 14.551 -3.514 -5.503 1.00 0.00 N ATOM 811 CA ALA A 56 15.710 -2.674 -5.254 1.00 0.00 C ATOM 812 C ALA A 56 15.243 -1.262 -4.895 1.00 0.00 C ATOM 813 O ALA A 56 14.085 -0.911 -5.120 1.00 0.00 O ATOM 814 CB ALA A 56 16.625 -2.691 -6.480 1.00 0.00 C ATOM 0 H ALA A 56 14.227 -3.518 -6.470 1.00 0.00 H new ATOM 0 HA ALA A 56 16.287 -3.055 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.495 -2.061 -6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.952 -3.712 -6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.081 -2.312 -7.345 1.00 0.00 H new ATOM 820 N SER A 57 16.167 -0.489 -4.343 1.00 0.00 N ATOM 821 CA SER A 57 15.865 0.877 -3.951 1.00 0.00 C ATOM 822 C SER A 57 15.258 1.638 -5.132 1.00 0.00 C ATOM 823 O SER A 57 14.653 2.693 -4.950 1.00 0.00 O ATOM 824 CB SER A 57 17.117 1.594 -3.445 1.00 0.00 C ATOM 825 OG SER A 57 17.932 2.066 -4.515 1.00 0.00 O ATOM 0 H SER A 57 17.126 -0.783 -4.158 1.00 0.00 H new ATOM 0 HA SER A 57 15.142 0.847 -3.136 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.824 2.434 -2.815 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.697 0.914 -2.821 1.00 0.00 H new ATOM 0 HG SER A 57 18.721 2.519 -4.150 1.00 0.00 H new ATOM 831 N VAL A 58 15.439 1.072 -6.316 1.00 0.00 N ATOM 832 CA VAL A 58 14.917 1.683 -7.526 1.00 0.00 C ATOM 833 C VAL A 58 13.404 1.466 -7.590 1.00 0.00 C ATOM 834 O VAL A 58 12.637 2.426 -7.639 1.00 0.00 O ATOM 835 CB VAL A 58 15.652 1.134 -8.750 1.00 0.00 C ATOM 836 CG1 VAL A 58 14.669 0.783 -9.868 1.00 0.00 C ATOM 837 CG2 VAL A 58 16.713 2.120 -9.241 1.00 0.00 C ATOM 0 H VAL A 58 15.940 0.196 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 58 15.091 2.759 -7.515 1.00 0.00 H new ATOM 0 HB VAL A 58 16.161 0.217 -8.452 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.218 0.395 -10.726 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.969 0.027 -9.513 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.119 1.677 -10.163 1.00 0.00 H new ATOM 0 HG21 VAL A 58 17.220 1.705 -10.112 1.00 0.00 H new ATOM 0 HG22 VAL A 58 16.236 3.062 -9.513 1.00 0.00 H new ATOM 0 HG23 VAL A 58 17.440 2.297 -8.448 1.00 0.00 H new ATOM 847 N ASP A 59 13.020 0.198 -7.587 1.00 0.00 N ATOM 848 CA ASP A 59 11.612 -0.158 -7.644 1.00 0.00 C ATOM 849 C ASP A 59 10.835 0.688 -6.633 1.00 0.00 C ATOM 850 O ASP A 59 9.686 1.054 -6.876 1.00 0.00 O ATOM 851 CB ASP A 59 11.401 -1.631 -7.289 1.00 0.00 C ATOM 852 CG ASP A 59 11.087 -2.543 -8.476 1.00 0.00 C ATOM 853 OD1 ASP A 59 10.743 -1.989 -9.543 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.198 -3.774 -8.291 1.00 0.00 O ATOM 0 H ASP A 59 13.659 -0.596 -7.546 1.00 0.00 H new ATOM 0 HA ASP A 59 11.260 0.022 -8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.298 -2.002 -6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.586 -1.703 -6.569 1.00 0.00 H new ATOM 859 N VAL A 60 11.494 0.974 -5.519 1.00 0.00 N ATOM 860 CA VAL A 60 10.880 1.770 -4.470 1.00 0.00 C ATOM 861 C VAL A 60 10.271 3.032 -5.083 1.00 0.00 C ATOM 862 O VAL A 60 9.135 3.390 -4.776 1.00 0.00 O ATOM 863 CB VAL A 60 11.904 2.072 -3.374 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.367 3.116 -2.394 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.316 0.793 -2.642 1.00 0.00 C ATOM 0 H VAL A 60 12.447 0.669 -5.320 1.00 0.00 H new ATOM 0 HA VAL A 60 10.070 1.216 -3.995 1.00 0.00 H new ATOM 0 HB VAL A 60 12.792 2.487 -3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.115 3.312 -1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.147 4.039 -2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.456 2.742 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.044 1.035 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.438 0.337 -2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.759 0.094 -3.352 1.00 0.00 H new ATOM 875 N VAL A 61 11.054 3.672 -5.939 1.00 0.00 N ATOM 876 CA VAL A 61 10.606 4.887 -6.599 1.00 0.00 C ATOM 877 C VAL A 61 9.562 4.532 -7.659 1.00 0.00 C ATOM 878 O VAL A 61 8.591 5.263 -7.849 1.00 0.00 O ATOM 879 CB VAL A 61 11.806 5.644 -7.171 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.400 7.045 -7.634 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.947 5.712 -6.155 1.00 0.00 C ATOM 0 H VAL A 61 11.996 3.372 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 61 10.127 5.556 -5.884 1.00 0.00 H new ATOM 0 HB VAL A 61 12.165 5.094 -8.041 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.271 7.562 -8.036 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.636 6.965 -8.407 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.003 7.607 -6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.787 6.255 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.605 6.227 -5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.263 4.702 -5.895 1.00 0.00 H new ATOM 891 N ARG A 62 9.797 3.409 -8.322 1.00 0.00 N ATOM 892 CA ARG A 62 8.889 2.948 -9.358 1.00 0.00 C ATOM 893 C ARG A 62 7.489 2.730 -8.779 1.00 0.00 C ATOM 894 O ARG A 62 6.519 3.319 -9.254 1.00 0.00 O ATOM 895 CB ARG A 62 9.383 1.642 -9.983 1.00 0.00 C ATOM 896 CG ARG A 62 9.048 1.586 -11.474 1.00 0.00 C ATOM 897 CD ARG A 62 9.696 0.368 -12.137 1.00 0.00 C ATOM 898 NE ARG A 62 8.770 -0.222 -13.129 1.00 0.00 N ATOM 899 CZ ARG A 62 8.560 0.282 -14.352 1.00 0.00 C ATOM 900 NH1 ARG A 62 9.208 1.387 -14.743 1.00 0.00 N ATOM 901 NH2 ARG A 62 7.700 -0.320 -15.186 1.00 0.00 N ATOM 0 H ARG A 62 10.603 2.805 -8.162 1.00 0.00 H new ATOM 0 HA ARG A 62 8.851 3.716 -10.131 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.461 1.554 -9.845 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.926 0.795 -9.472 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.967 1.544 -11.606 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.394 2.497 -11.962 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.626 0.661 -12.625 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.953 -0.374 -11.381 1.00 0.00 H new ATOM 0 HE ARG A 62 8.260 -1.065 -12.865 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.862 1.846 -14.109 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.047 1.770 -15.675 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.206 -1.161 -14.889 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.540 0.064 -16.117 1.00 0.00 H new ATOM 915 N LEU A 63 7.429 1.883 -7.762 1.00 0.00 N ATOM 916 CA LEU A 63 6.165 1.581 -7.114 1.00 0.00 C ATOM 917 C LEU A 63 5.493 2.886 -6.681 1.00 0.00 C ATOM 918 O LEU A 63 4.349 3.151 -7.048 1.00 0.00 O ATOM 919 CB LEU A 63 6.374 0.588 -5.968 1.00 0.00 C ATOM 920 CG LEU A 63 5.366 0.667 -4.820 1.00 0.00 C ATOM 921 CD1 LEU A 63 3.966 0.269 -5.290 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.830 -0.169 -3.625 1.00 0.00 C ATOM 0 H LEU A 63 8.236 1.396 -7.371 1.00 0.00 H new ATOM 0 HA LEU A 63 5.488 1.090 -7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.348 -0.421 -6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.373 0.740 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 63 5.310 1.703 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.269 0.334 -4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.644 0.942 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.986 -0.754 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.096 -0.096 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.934 -1.211 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.792 0.203 -3.272 1.00 0.00 H new ATOM 934 N VAL A 64 6.233 3.667 -5.908 1.00 0.00 N ATOM 935 CA VAL A 64 5.724 4.938 -5.422 1.00 0.00 C ATOM 936 C VAL A 64 5.269 5.788 -6.609 1.00 0.00 C ATOM 937 O VAL A 64 4.241 6.460 -6.539 1.00 0.00 O ATOM 938 CB VAL A 64 6.782 5.631 -4.561 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.251 6.950 -3.996 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.267 4.710 -3.440 1.00 0.00 C ATOM 0 H VAL A 64 7.181 3.444 -5.606 1.00 0.00 H new ATOM 0 HA VAL A 64 4.855 4.782 -4.782 1.00 0.00 H new ATOM 0 HB VAL A 64 7.636 5.859 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.023 7.422 -3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.979 7.614 -4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.373 6.755 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.018 5.227 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.425 4.436 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.704 3.810 -3.872 1.00 0.00 H new ATOM 950 N GLU A 65 6.056 5.731 -7.673 1.00 0.00 N ATOM 951 CA GLU A 65 5.747 6.487 -8.875 1.00 0.00 C ATOM 952 C GLU A 65 4.497 5.921 -9.551 1.00 0.00 C ATOM 953 O GLU A 65 3.664 6.674 -10.054 1.00 0.00 O ATOM 954 CB GLU A 65 6.935 6.496 -9.839 1.00 0.00 C ATOM 955 CG GLU A 65 8.011 7.479 -9.373 1.00 0.00 C ATOM 956 CD GLU A 65 8.041 8.722 -10.265 1.00 0.00 C ATOM 957 OE1 GLU A 65 8.545 8.592 -11.402 1.00 0.00 O ATOM 958 OE2 GLU A 65 7.559 9.773 -9.791 1.00 0.00 O ATOM 0 H GLU A 65 6.908 5.173 -7.728 1.00 0.00 H new ATOM 0 HA GLU A 65 5.546 7.519 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.358 5.494 -9.909 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.595 6.770 -10.838 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.819 7.772 -8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.986 6.992 -9.389 1.00 0.00 H new ATOM 965 N GLU A 66 4.405 4.599 -9.542 1.00 0.00 N ATOM 966 CA GLU A 66 3.270 3.924 -10.149 1.00 0.00 C ATOM 967 C GLU A 66 1.982 4.277 -9.403 1.00 0.00 C ATOM 968 O GLU A 66 1.031 4.776 -10.002 1.00 0.00 O ATOM 969 CB GLU A 66 3.488 2.410 -10.182 1.00 0.00 C ATOM 970 CG GLU A 66 4.513 2.026 -11.250 1.00 0.00 C ATOM 971 CD GLU A 66 3.968 0.927 -12.164 1.00 0.00 C ATOM 972 OE1 GLU A 66 2.840 1.116 -12.668 1.00 0.00 O ATOM 973 OE2 GLU A 66 4.692 -0.077 -12.338 1.00 0.00 O ATOM 0 H GLU A 66 5.098 3.978 -9.124 1.00 0.00 H new ATOM 0 HA GLU A 66 3.175 4.267 -11.179 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.830 2.067 -9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.542 1.907 -10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.771 2.903 -11.844 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.431 1.684 -10.772 1.00 0.00 H new ATOM 980 N VAL A 67 1.992 4.003 -8.106 1.00 0.00 N ATOM 981 CA VAL A 67 0.836 4.286 -7.273 1.00 0.00 C ATOM 982 C VAL A 67 0.493 5.773 -7.371 1.00 0.00 C ATOM 983 O VAL A 67 -0.636 6.173 -7.091 1.00 0.00 O ATOM 984 CB VAL A 67 1.102 3.827 -5.837 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.124 4.058 -4.952 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.536 2.361 -5.801 1.00 0.00 C ATOM 0 H VAL A 67 2.782 3.588 -7.612 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.033 3.729 -7.623 1.00 0.00 H new ATOM 0 HB VAL A 67 1.920 4.428 -5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.092 3.723 -3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.369 5.120 -4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.970 3.495 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.718 2.061 -4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.749 1.738 -6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.450 2.238 -6.382 1.00 0.00 H new ATOM 996 N LYS A 68 1.488 6.552 -7.771 1.00 0.00 N ATOM 997 CA LYS A 68 1.305 7.987 -7.910 1.00 0.00 C ATOM 998 C LYS A 68 0.294 8.262 -9.025 1.00 0.00 C ATOM 999 O LYS A 68 -0.563 9.135 -8.889 1.00 0.00 O ATOM 1000 CB LYS A 68 2.653 8.681 -8.117 1.00 0.00 C ATOM 1001 CG LYS A 68 3.003 9.567 -6.919 1.00 0.00 C ATOM 1002 CD LYS A 68 4.431 9.299 -6.439 1.00 0.00 C ATOM 1003 CE LYS A 68 5.108 10.593 -5.983 1.00 0.00 C ATOM 1004 NZ LYS A 68 5.355 11.483 -7.140 1.00 0.00 N ATOM 0 H LYS A 68 2.423 6.217 -8.003 1.00 0.00 H new ATOM 0 HA LYS A 68 0.892 8.409 -6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.433 7.933 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.620 9.285 -9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.899 10.616 -7.195 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.301 9.380 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.414 8.584 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.010 8.845 -7.244 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.479 11.102 -5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.050 10.362 -5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.160 12.108 -6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.571 10.909 -7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.508 12.058 -7.323 1.00 0.00 H new ATOM 1018 N GLU A 69 0.427 7.502 -10.101 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.465 7.653 -11.239 1.00 0.00 C ATOM 1020 C GLU A 69 -1.858 7.123 -10.895 1.00 0.00 C ATOM 1021 O GLU A 69 -2.845 7.508 -11.522 1.00 0.00 O ATOM 1022 CB GLU A 69 0.099 6.950 -12.475 1.00 0.00 C ATOM 1023 CG GLU A 69 1.550 7.367 -12.729 1.00 0.00 C ATOM 1024 CD GLU A 69 1.662 8.214 -13.997 1.00 0.00 C ATOM 1025 OE1 GLU A 69 0.993 7.847 -14.987 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.415 9.211 -13.949 1.00 0.00 O ATOM 0 H GLU A 69 1.139 6.780 -10.210 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.548 8.715 -11.472 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.046 5.870 -12.339 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.511 7.192 -13.346 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.925 7.932 -11.876 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.176 6.480 -12.823 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.895 6.249 -9.900 1.00 0.00 N ATOM 1034 CA LEU A 70 -3.152 5.663 -9.465 1.00 0.00 C ATOM 1035 C LEU A 70 -4.033 6.753 -8.852 1.00 0.00 C ATOM 1036 O LEU A 70 -5.201 6.888 -9.213 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.896 4.480 -8.530 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.586 3.144 -9.207 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.404 2.033 -8.171 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.656 2.792 -10.242 1.00 0.00 C ATOM 0 H LEU A 70 -1.075 5.932 -9.383 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.697 5.254 -10.316 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.063 4.734 -7.875 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.772 4.348 -7.895 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.641 3.244 -9.742 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.185 1.094 -8.679 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.579 2.287 -7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.319 1.925 -7.589 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.411 1.838 -10.708 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.626 2.718 -9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.694 3.569 -11.005 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.440 7.503 -7.935 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.156 8.577 -7.268 1.00 0.00 C ATOM 1054 C CYS A 71 -3.847 9.886 -7.997 1.00 0.00 C ATOM 1055 O CYS A 71 -4.363 10.941 -7.632 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.803 8.654 -5.782 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.195 9.385 -4.845 1.00 0.00 S ATOM 0 H CYS A 71 -2.471 7.388 -7.638 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.228 8.384 -7.310 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.581 7.657 -5.401 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.905 9.256 -5.644 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.886 9.444 -3.584 1.00 0.00 H new ATOM 1063 N ASP A 72 -3.005 9.775 -9.015 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.621 10.937 -9.798 1.00 0.00 C ATOM 1065 C ASP A 72 -1.905 11.942 -8.894 1.00 0.00 C ATOM 1066 O ASP A 72 -2.443 13.007 -8.595 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.848 11.629 -10.395 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.550 12.905 -11.184 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -3.459 13.967 -10.532 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -3.420 12.790 -12.422 1.00 0.00 O ATOM 0 H ASP A 72 -2.578 8.898 -9.315 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.969 10.600 -10.604 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.360 10.925 -11.051 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.538 11.872 -9.587 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.702 11.568 -8.483 1.00 0.00 N ATOM 1076 CA GLY A 73 0.094 12.424 -7.619 1.00 0.00 C ATOM 1077 C GLY A 73 -0.071 12.026 -6.151 1.00 0.00 C ATOM 1078 O GLY A 73 -0.146 12.886 -5.276 1.00 0.00 O ATOM 0 H GLY A 73 -0.259 10.684 -8.732 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.144 12.357 -7.902 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.206 13.463 -7.754 1.00 0.00 H new ATOM 1082 N LEU A 74 -0.124 10.721 -5.927 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.279 10.198 -4.580 1.00 0.00 C ATOM 1084 C LEU A 74 0.859 10.721 -3.701 1.00 0.00 C ATOM 1085 O LEU A 74 2.027 10.640 -4.078 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.384 8.672 -4.607 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.583 7.990 -3.252 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.871 8.470 -2.580 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.543 6.467 -3.393 1.00 0.00 C ATOM 0 H LEU A 74 -0.062 10.010 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.211 10.551 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.215 8.396 -5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.522 8.273 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 74 0.244 8.275 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.988 7.970 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.820 9.548 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.723 8.235 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.687 6.007 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.336 6.143 -4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.423 6.164 -3.798 1.00 0.00 H new ATOM 1101 N GLU A 75 0.478 11.247 -2.546 1.00 0.00 N ATOM 1102 CA GLU A 75 1.451 11.783 -1.610 1.00 0.00 C ATOM 1103 C GLU A 75 2.246 10.648 -0.963 1.00 0.00 C ATOM 1104 O GLU A 75 2.237 10.496 0.258 1.00 0.00 O ATOM 1105 CB GLU A 75 0.771 12.651 -0.550 1.00 0.00 C ATOM 1106 CG GLU A 75 0.607 14.090 -1.042 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.215 14.918 -0.052 1.00 0.00 C ATOM 1108 OE1 GLU A 75 0.412 15.504 0.856 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -1.453 14.946 -0.226 1.00 0.00 O ATOM 0 H GLU A 75 -0.492 11.313 -2.237 1.00 0.00 H new ATOM 0 HA GLU A 75 2.145 12.418 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.205 12.233 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.361 12.641 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.588 14.546 -1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.118 14.091 -2.016 1.00 0.00 H new ATOM 1116 N LEU A 76 2.915 9.879 -1.809 1.00 0.00 N ATOM 1117 CA LEU A 76 3.714 8.761 -1.334 1.00 0.00 C ATOM 1118 C LEU A 76 5.194 9.147 -1.368 1.00 0.00 C ATOM 1119 O LEU A 76 5.584 10.063 -2.092 1.00 0.00 O ATOM 1120 CB LEU A 76 3.390 7.495 -2.129 1.00 0.00 C ATOM 1121 CG LEU A 76 3.683 6.168 -1.426 1.00 0.00 C ATOM 1122 CD1 LEU A 76 2.642 5.880 -0.343 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.790 5.024 -2.436 1.00 0.00 C ATOM 0 H LEU A 76 2.921 10.008 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 76 3.468 8.530 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.333 7.517 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.953 7.521 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 76 4.650 6.251 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.873 4.931 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.658 6.679 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.652 5.824 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.999 4.092 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.851 4.931 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.597 5.233 -3.138 1.00 0.00 H new ATOM 1135 N GLU A 77 5.978 8.430 -0.577 1.00 0.00 N ATOM 1136 CA GLU A 77 7.407 8.686 -0.507 1.00 0.00 C ATOM 1137 C GLU A 77 8.167 7.384 -0.249 1.00 0.00 C ATOM 1138 O GLU A 77 7.627 6.454 0.347 1.00 0.00 O ATOM 1139 CB GLU A 77 7.725 9.729 0.566 1.00 0.00 C ATOM 1140 CG GLU A 77 6.667 9.719 1.671 1.00 0.00 C ATOM 1141 CD GLU A 77 6.962 10.792 2.721 1.00 0.00 C ATOM 1142 OE1 GLU A 77 8.149 10.909 3.096 1.00 0.00 O ATOM 1143 OE2 GLU A 77 5.994 11.472 3.125 1.00 0.00 O ATOM 0 H GLU A 77 5.651 7.671 0.021 1.00 0.00 H new ATOM 0 HA GLU A 77 7.732 9.089 -1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.706 9.527 0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.773 10.719 0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.682 9.890 1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.641 8.738 2.146 1.00 0.00 H new ATOM 1150 N ASN A 78 9.409 7.360 -0.711 1.00 0.00 N ATOM 1151 CA ASN A 78 10.249 6.187 -0.538 1.00 0.00 C ATOM 1152 C ASN A 78 10.153 5.706 0.911 1.00 0.00 C ATOM 1153 O ASN A 78 10.283 4.513 1.183 1.00 0.00 O ATOM 1154 CB ASN A 78 11.715 6.511 -0.833 1.00 0.00 C ATOM 1155 CG ASN A 78 11.881 7.056 -2.253 1.00 0.00 C ATOM 1156 OD1 ASN A 78 11.691 6.361 -3.238 1.00 0.00 O ATOM 1157 ND2 ASN A 78 12.246 8.333 -2.303 1.00 0.00 N ATOM 0 H ASN A 78 9.853 8.134 -1.205 1.00 0.00 H new ATOM 0 HA ASN A 78 9.903 5.419 -1.230 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.081 7.243 -0.113 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.321 5.613 -0.711 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.384 8.789 -3.205 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.388 8.857 -1.439 1.00 0.00 H new ATOM 1164 N GLU A 79 9.927 6.659 1.804 1.00 0.00 N ATOM 1165 CA GLU A 79 9.813 6.348 3.218 1.00 0.00 C ATOM 1166 C GLU A 79 8.609 5.436 3.465 1.00 0.00 C ATOM 1167 O GLU A 79 8.665 4.544 4.311 1.00 0.00 O ATOM 1168 CB GLU A 79 9.713 7.625 4.054 1.00 0.00 C ATOM 1169 CG GLU A 79 9.017 7.354 5.390 1.00 0.00 C ATOM 1170 CD GLU A 79 9.662 8.162 6.518 1.00 0.00 C ATOM 1171 OE1 GLU A 79 9.217 9.313 6.717 1.00 0.00 O ATOM 1172 OE2 GLU A 79 10.584 7.609 7.156 1.00 0.00 O ATOM 0 H GLU A 79 9.820 7.647 1.575 1.00 0.00 H new ATOM 0 HA GLU A 79 10.715 5.820 3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.711 8.025 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.161 8.384 3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.960 7.610 5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.071 6.291 5.623 1.00 0.00 H new ATOM 1179 N ASP A 80 7.549 5.691 2.713 1.00 0.00 N ATOM 1180 CA ASP A 80 6.335 4.904 2.839 1.00 0.00 C ATOM 1181 C ASP A 80 6.666 3.425 2.630 1.00 0.00 C ATOM 1182 O ASP A 80 6.245 2.574 3.412 1.00 0.00 O ATOM 1183 CB ASP A 80 5.302 5.311 1.786 1.00 0.00 C ATOM 1184 CG ASP A 80 5.292 4.448 0.523 1.00 0.00 C ATOM 1185 OD1 ASP A 80 6.164 4.692 -0.339 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.413 3.562 0.447 1.00 0.00 O ATOM 0 H ASP A 80 7.506 6.432 2.014 1.00 0.00 H new ATOM 0 HA ASP A 80 5.923 5.077 3.833 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.311 5.277 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.486 6.346 1.499 1.00 0.00 H new ATOM 1191 N VAL A 81 7.418 3.164 1.570 1.00 0.00 N ATOM 1192 CA VAL A 81 7.810 1.803 1.248 1.00 0.00 C ATOM 1193 C VAL A 81 8.667 1.241 2.385 1.00 0.00 C ATOM 1194 O VAL A 81 8.449 0.117 2.834 1.00 0.00 O ATOM 1195 CB VAL A 81 8.520 1.770 -0.107 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.882 0.336 -0.501 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.668 2.437 -1.188 1.00 0.00 C ATOM 0 H VAL A 81 7.766 3.872 0.924 1.00 0.00 H new ATOM 0 HA VAL A 81 6.932 1.164 1.156 1.00 0.00 H new ATOM 0 HB VAL A 81 9.447 2.336 -0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.385 0.340 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.545 -0.092 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.974 -0.263 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.195 2.400 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.718 1.911 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.483 3.476 -0.916 1.00 0.00 H new ATOM 1207 N TYR A 82 9.623 2.050 2.818 1.00 0.00 N ATOM 1208 CA TYR A 82 10.512 1.647 3.894 1.00 0.00 C ATOM 1209 C TYR A 82 9.729 1.372 5.179 1.00 0.00 C ATOM 1210 O TYR A 82 10.217 0.679 6.071 1.00 0.00 O ATOM 1211 CB TYR A 82 11.453 2.831 4.128 1.00 0.00 C ATOM 1212 CG TYR A 82 12.258 3.239 2.893 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.211 2.465 1.751 1.00 0.00 C ATOM 1214 CD2 TYR A 82 13.032 4.382 2.920 1.00 0.00 C ATOM 1215 CE1 TYR A 82 12.969 2.850 0.588 1.00 0.00 C ATOM 1216 CE2 TYR A 82 13.789 4.766 1.757 1.00 0.00 C ATOM 1217 CZ TYR A 82 13.720 3.981 0.649 1.00 0.00 C ATOM 1218 OH TYR A 82 14.436 4.344 -0.449 1.00 0.00 O ATOM 0 H TYR A 82 9.801 2.982 2.443 1.00 0.00 H new ATOM 0 HA TYR A 82 11.045 0.734 3.630 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.868 3.686 4.466 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.144 2.579 4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.606 1.571 1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 82 13.070 4.988 3.813 1.00 0.00 H new ATOM 0 HE1 TYR A 82 12.941 2.253 -0.312 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.398 5.658 1.765 1.00 0.00 H new ATOM 0 HH TYR A 82 14.924 5.173 -0.262 1.00 0.00 H new ATOM 1228 N MET A 83 8.528 1.929 5.234 1.00 0.00 N ATOM 1229 CA MET A 83 7.673 1.752 6.395 1.00 0.00 C ATOM 1230 C MET A 83 6.816 0.493 6.258 1.00 0.00 C ATOM 1231 O MET A 83 6.715 -0.299 7.193 1.00 0.00 O ATOM 1232 CB MET A 83 6.765 2.974 6.551 1.00 0.00 C ATOM 1233 CG MET A 83 6.944 3.618 7.927 1.00 0.00 C ATOM 1234 SD MET A 83 6.722 2.394 9.207 1.00 0.00 S ATOM 1235 CE MET A 83 7.403 3.276 10.602 1.00 0.00 C ATOM 0 H MET A 83 8.127 2.503 4.493 1.00 0.00 H new ATOM 0 HA MET A 83 8.306 1.643 7.276 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.992 3.702 5.772 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.725 2.678 6.417 1.00 0.00 H new ATOM 0 HG2 MET A 83 7.937 4.061 8.004 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.224 4.426 8.056 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.343 2.650 11.493 1.00 0.00 H new ATOM 0 HE2 MET A 83 8.446 3.523 10.402 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.837 4.193 10.764 1.00 0.00 H new ATOM 1245 N ALA A 84 6.219 0.347 5.084 1.00 0.00 N ATOM 1246 CA ALA A 84 5.373 -0.803 4.812 1.00 0.00 C ATOM 1247 C ALA A 84 5.951 -1.588 3.633 1.00 0.00 C ATOM 1248 O ALA A 84 5.625 -1.313 2.479 1.00 0.00 O ATOM 1249 CB ALA A 84 3.940 -0.333 4.554 1.00 0.00 C ATOM 0 H ALA A 84 6.304 1.006 4.310 1.00 0.00 H new ATOM 0 HA ALA A 84 5.346 -1.472 5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.305 -1.195 4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.566 0.193 5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.926 0.339 3.696 1.00 0.00 H new ATOM 1255 N SER A 85 6.800 -2.551 3.963 1.00 0.00 N ATOM 1256 CA SER A 85 7.426 -3.378 2.945 1.00 0.00 C ATOM 1257 C SER A 85 6.421 -4.401 2.412 1.00 0.00 C ATOM 1258 O SER A 85 6.452 -4.750 1.233 1.00 0.00 O ATOM 1259 CB SER A 85 8.664 -4.087 3.497 1.00 0.00 C ATOM 1260 OG SER A 85 8.320 -5.206 4.311 1.00 0.00 O ATOM 0 H SER A 85 7.069 -2.777 4.921 1.00 0.00 H new ATOM 0 HA SER A 85 7.745 -2.732 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.291 -4.420 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.255 -3.382 4.081 1.00 0.00 H new ATOM 0 HG SER A 85 9.092 -5.804 4.388 1.00 0.00 H new ATOM 1266 N THR A 86 5.555 -4.854 3.306 1.00 0.00 N ATOM 1267 CA THR A 86 4.543 -5.831 2.940 1.00 0.00 C ATOM 1268 C THR A 86 3.311 -5.131 2.362 1.00 0.00 C ATOM 1269 O THR A 86 2.954 -4.037 2.795 1.00 0.00 O ATOM 1270 CB THR A 86 4.236 -6.679 4.175 1.00 0.00 C ATOM 1271 OG1 THR A 86 4.077 -5.725 5.221 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.433 -7.522 4.618 1.00 0.00 C ATOM 0 H THR A 86 5.533 -4.563 4.283 1.00 0.00 H new ATOM 0 HA THR A 86 4.900 -6.495 2.153 1.00 0.00 H new ATOM 0 HB THR A 86 3.389 -7.333 3.965 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.873 -6.190 6.059 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.162 -8.105 5.498 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.722 -8.196 3.811 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.270 -6.867 4.860 1.00 0.00 H new ATOM 1280 N PHE A 87 2.695 -5.792 1.392 1.00 0.00 N ATOM 1281 CA PHE A 87 1.511 -5.247 0.750 1.00 0.00 C ATOM 1282 C PHE A 87 0.447 -4.877 1.786 1.00 0.00 C ATOM 1283 O PHE A 87 0.085 -3.709 1.919 1.00 0.00 O ATOM 1284 CB PHE A 87 0.956 -6.340 -0.165 1.00 0.00 C ATOM 1285 CG PHE A 87 -0.131 -5.854 -1.126 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.206 -5.113 -2.216 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.435 -6.163 -0.891 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.802 -4.662 -3.107 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.443 -5.711 -1.783 1.00 0.00 C ATOM 1290 CZ PHE A 87 -2.106 -4.971 -2.872 1.00 0.00 C ATOM 0 H PHE A 87 2.994 -6.700 1.036 1.00 0.00 H new ATOM 0 HA PHE A 87 1.770 -4.345 0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.775 -6.765 -0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.550 -7.143 0.450 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.241 -4.868 -2.403 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.703 -6.752 -0.026 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.534 -4.073 -3.972 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.478 -5.955 -1.596 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.873 -4.628 -3.551 1.00 0.00 H new ATOM 1300 N GLY A 88 -0.023 -5.894 2.493 1.00 0.00 N ATOM 1301 CA GLY A 88 -1.038 -5.690 3.513 1.00 0.00 C ATOM 1302 C GLY A 88 -0.788 -4.392 4.284 1.00 0.00 C ATOM 1303 O GLY A 88 -1.679 -3.553 4.400 1.00 0.00 O ATOM 0 H GLY A 88 0.280 -6.861 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.024 -5.657 3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.039 -6.533 4.204 1.00 0.00 H new ATOM 1307 N ASP A 89 0.430 -4.269 4.792 1.00 0.00 N ATOM 1308 CA ASP A 89 0.809 -3.088 5.549 1.00 0.00 C ATOM 1309 C ASP A 89 0.768 -1.864 4.631 1.00 0.00 C ATOM 1310 O ASP A 89 0.200 -0.834 4.990 1.00 0.00 O ATOM 1311 CB ASP A 89 2.231 -3.219 6.098 1.00 0.00 C ATOM 1312 CG ASP A 89 2.534 -2.351 7.321 1.00 0.00 C ATOM 1313 OD1 ASP A 89 1.634 -2.249 8.182 1.00 0.00 O ATOM 1314 OD2 ASP A 89 3.659 -1.809 7.367 1.00 0.00 O ATOM 0 H ASP A 89 1.167 -4.968 4.694 1.00 0.00 H new ATOM 0 HA ASP A 89 0.110 -2.981 6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.409 -4.262 6.358 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.935 -2.963 5.306 1.00 0.00 H new ATOM 1319 N PHE A 90 1.377 -2.018 3.465 1.00 0.00 N ATOM 1320 CA PHE A 90 1.416 -0.939 2.493 1.00 0.00 C ATOM 1321 C PHE A 90 0.007 -0.435 2.175 1.00 0.00 C ATOM 1322 O PHE A 90 -0.275 0.755 2.307 1.00 0.00 O ATOM 1323 CB PHE A 90 2.042 -1.508 1.218 1.00 0.00 C ATOM 1324 CG PHE A 90 2.255 -0.471 0.113 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.383 0.289 0.102 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.317 -0.309 -0.858 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.580 1.252 -0.923 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.514 0.653 -1.883 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.642 1.413 -1.894 1.00 0.00 C ATOM 0 H PHE A 90 1.848 -2.874 3.171 1.00 0.00 H new ATOM 0 HA PHE A 90 1.990 -0.102 2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.002 -1.960 1.467 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.404 -2.305 0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.129 0.160 0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.422 -0.913 -0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.475 1.856 -0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.769 0.781 -2.654 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.793 2.144 -2.674 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.840 -1.366 1.762 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.213 -1.032 1.424 1.00 0.00 C ATOM 1341 C ILE A 91 -2.782 -0.093 2.490 1.00 0.00 C ATOM 1342 O ILE A 91 -3.205 1.020 2.181 1.00 0.00 O ATOM 1343 CB ILE A 91 -3.040 -2.303 1.219 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.595 -3.050 -0.040 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.536 -1.987 1.199 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.841 -2.207 -1.293 1.00 0.00 C ATOM 0 H ILE A 91 -0.602 -2.352 1.654 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.252 -0.498 0.474 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.863 -2.966 2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.536 -3.297 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.137 -3.992 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -5.100 -2.908 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.824 -1.532 2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.751 -1.296 0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.516 -2.761 -2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.904 -1.982 -1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.278 -1.276 -1.222 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.775 -0.577 3.723 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.285 0.204 4.837 1.00 0.00 C ATOM 1360 C GLN A 92 -2.751 1.637 4.769 1.00 0.00 C ATOM 1361 O GLN A 92 -3.504 2.593 4.950 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.931 -0.450 6.174 1.00 0.00 C ATOM 1363 CG GLN A 92 -4.013 -1.443 6.602 1.00 0.00 C ATOM 1364 CD GLN A 92 -4.620 -2.150 5.388 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -5.902 -1.864 5.181 1.00 0.00 O flip ATOM 1366 NE2 GLN A 92 -3.967 -2.904 4.686 1.00 0.00 N flip ATOM 0 H GLN A 92 -2.424 -1.501 3.975 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.372 0.238 4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.974 -0.964 6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.814 0.318 6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.586 -2.181 7.281 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.795 -0.919 7.151 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.986 -3.080 4.902 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.402 -3.359 3.883 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.456 1.740 4.507 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.813 3.039 4.413 1.00 0.00 C ATOM 1377 C LEU A 93 -1.356 3.785 3.192 1.00 0.00 C ATOM 1378 O LEU A 93 -1.698 4.963 3.282 1.00 0.00 O ATOM 1379 CB LEU A 93 0.709 2.885 4.412 1.00 0.00 C ATOM 1380 CG LEU A 93 1.485 3.888 3.556 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.746 4.366 4.279 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.801 3.304 2.177 1.00 0.00 C ATOM 0 H LEU A 93 -0.835 0.945 4.357 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.048 3.644 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.063 2.965 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.952 1.880 4.068 1.00 0.00 H new ATOM 0 HG LEU A 93 0.854 4.762 3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.279 5.078 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.467 4.848 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.391 3.513 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.353 4.037 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.404 2.404 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.871 3.055 1.666 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.419 3.068 2.080 1.00 0.00 N ATOM 1395 CA LEU A 94 -1.914 3.647 0.843 1.00 0.00 C ATOM 1396 C LEU A 94 -3.348 4.140 1.054 1.00 0.00 C ATOM 1397 O LEU A 94 -3.633 5.323 0.878 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.770 2.653 -0.310 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.747 2.829 -1.475 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -2.307 3.972 -2.391 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.928 1.517 -2.241 1.00 0.00 C ATOM 0 H LEU A 94 -1.135 2.091 2.010 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.316 4.514 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.755 2.724 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.889 1.645 0.088 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.721 3.100 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.018 4.076 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.271 4.901 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.318 3.755 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.627 1.669 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.966 1.192 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.320 0.754 -1.568 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.211 3.207 1.429 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.607 3.531 1.666 1.00 0.00 C ATOM 1415 C VAL A 95 -5.695 4.819 2.487 1.00 0.00 C ATOM 1416 O VAL A 95 -6.566 5.654 2.248 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.313 2.348 2.332 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.729 2.731 2.769 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.335 1.131 1.405 1.00 0.00 C ATOM 0 H VAL A 95 -3.970 2.227 1.574 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.123 3.711 0.723 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.748 2.079 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.209 1.873 3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.680 3.555 3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.308 3.038 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.842 0.304 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.865 1.383 0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.313 0.838 1.165 1.00 0.00 H new ATOM 1429 N ARG A 96 -4.780 4.940 3.438 1.00 0.00 N ATOM 1430 CA ARG A 96 -4.744 6.113 4.296 1.00 0.00 C ATOM 1431 C ARG A 96 -4.481 7.370 3.465 1.00 0.00 C ATOM 1432 O ARG A 96 -5.193 8.365 3.595 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.657 5.979 5.364 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.266 5.647 6.728 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.369 6.143 7.864 1.00 0.00 C ATOM 1436 NE ARG A 96 -4.180 6.392 9.077 1.00 0.00 N ATOM 1437 CZ ARG A 96 -3.724 7.019 10.170 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -2.461 7.464 10.209 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -4.531 7.201 11.224 1.00 0.00 N ATOM 0 H ARG A 96 -4.059 4.246 3.633 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.713 6.195 4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.954 5.198 5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.091 6.908 5.431 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.252 6.105 6.812 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.407 4.570 6.815 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.597 5.404 8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.859 7.058 7.563 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.146 6.066 9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.847 7.326 9.407 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.114 7.941 11.041 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.493 6.862 11.195 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.184 7.678 12.056 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.456 7.285 2.629 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.091 8.404 1.777 1.00 0.00 C ATOM 1455 C LYS A 97 -4.227 8.681 0.790 1.00 0.00 C ATOM 1456 O LYS A 97 -4.523 9.835 0.487 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.741 8.146 1.104 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.621 8.046 2.142 1.00 0.00 C ATOM 1459 CD LYS A 97 0.320 6.883 1.822 1.00 0.00 C ATOM 1460 CE LYS A 97 1.601 6.970 2.653 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.281 7.256 4.070 1.00 0.00 N ATOM 0 H LYS A 97 -2.867 6.459 2.524 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.958 9.308 2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.789 7.223 0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.521 8.951 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.057 8.979 2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.051 7.908 3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.184 5.937 2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.569 6.893 0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.153 6.033 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.247 7.752 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.099 7.015 4.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.059 8.266 4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.460 6.688 4.362 1.00 0.00 H new ATOM 1475 N LEU A 98 -4.833 7.602 0.317 1.00 0.00 N ATOM 1476 CA LEU A 98 -5.930 7.714 -0.629 1.00 0.00 C ATOM 1477 C LEU A 98 -7.090 8.464 0.028 1.00 0.00 C ATOM 1478 O LEU A 98 -7.567 9.466 -0.503 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.316 6.335 -1.168 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.263 5.631 -2.026 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.886 4.489 -2.832 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.528 6.630 -2.921 1.00 0.00 C ATOM 0 H LEU A 98 -4.585 6.646 0.571 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.625 8.296 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.557 5.691 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.226 6.439 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.521 5.188 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.116 4.006 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.325 3.760 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.661 4.887 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.785 6.104 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.243 7.123 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.031 7.377 -2.301 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.511 7.950 1.175 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.606 8.559 1.910 1.00 0.00 C ATOM 1496 C ARG A 99 -8.284 10.021 2.228 1.00 0.00 C ATOM 1497 O ARG A 99 -9.124 10.900 2.042 1.00 0.00 O ATOM 1498 CB ARG A 99 -8.877 7.808 3.216 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.626 6.501 2.950 1.00 0.00 C ATOM 1500 CD ARG A 99 -10.004 5.809 4.262 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.511 4.446 3.988 1.00 0.00 N ATOM 1502 CZ ARG A 99 -11.138 3.682 4.893 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -11.338 4.142 6.135 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -11.565 2.458 4.555 1.00 0.00 N ATOM 0 H ARG A 99 -7.113 7.119 1.613 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.496 8.508 1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.934 7.595 3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.462 8.437 3.887 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.526 6.705 2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.004 5.837 2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.136 5.758 4.919 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.764 6.391 4.784 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.375 4.064 3.052 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.013 5.074 6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.815 3.560 6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.413 2.108 3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.042 1.876 5.244 1.00 0.00 H new ATOM 1518 N GLY A 100 -7.065 10.236 2.703 1.00 0.00 N ATOM 1519 CA GLY A 100 -6.622 11.575 3.048 1.00 0.00 C ATOM 1520 C GLY A 100 -5.572 11.536 4.160 1.00 0.00 C ATOM 1521 O GLY A 100 -5.781 10.902 5.194 1.00 0.00 O ATOM 0 H GLY A 100 -6.371 9.504 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.205 12.062 2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.475 12.173 3.369 1.00 0.00 H new ATOM 1525 N ASP A 101 -4.466 12.222 3.911 1.00 0.00 N ATOM 1526 CA ASP A 101 -3.384 12.273 4.879 1.00 0.00 C ATOM 1527 C ASP A 101 -2.408 13.385 4.488 1.00 0.00 C ATOM 1528 O ASP A 101 -2.446 13.881 3.363 1.00 0.00 O ATOM 1529 CB ASP A 101 -2.609 10.954 4.909 1.00 0.00 C ATOM 1530 CG ASP A 101 -1.757 10.733 6.160 1.00 0.00 C ATOM 1531 OD1 ASP A 101 -2.329 10.239 7.156 1.00 0.00 O ATOM 1532 OD2 ASP A 101 -0.553 11.062 6.092 1.00 0.00 O ATOM 0 H ASP A 101 -4.296 12.747 3.053 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.819 12.459 5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.318 10.131 4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.961 10.911 4.034 1.00 0.00 H new ATOM 1537 N ASP A 102 -1.559 13.744 5.439 1.00 0.00 N ATOM 1538 CA ASP A 102 -0.575 14.789 5.208 1.00 0.00 C ATOM 1539 C ASP A 102 -1.292 16.130 5.037 1.00 0.00 C ATOM 1540 O ASP A 102 -2.082 16.301 4.110 1.00 0.00 O ATOM 1541 CB ASP A 102 0.229 14.517 3.935 1.00 0.00 C ATOM 1542 CG ASP A 102 1.632 15.126 3.914 1.00 0.00 C ATOM 1543 OD1 ASP A 102 1.748 16.298 4.332 1.00 0.00 O ATOM 1544 OD2 ASP A 102 2.557 14.405 3.480 1.00 0.00 O ATOM 0 H ASP A 102 -1.532 13.330 6.371 1.00 0.00 H new ATOM 0 HA ASP A 102 0.100 14.811 6.063 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.315 13.439 3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.330 14.900 3.081 1.00 0.00 H new ATOM 1549 N GLU A 103 -0.991 17.046 5.946 1.00 0.00 N ATOM 1550 CA GLU A 103 -1.597 18.366 5.907 1.00 0.00 C ATOM 1551 C GLU A 103 -0.786 19.296 5.002 1.00 0.00 C ATOM 1552 O GLU A 103 0.356 18.993 4.659 1.00 0.00 O ATOM 1553 CB GLU A 103 -1.730 18.949 7.315 1.00 0.00 C ATOM 1554 CG GLU A 103 -2.714 18.134 8.156 1.00 0.00 C ATOM 1555 CD GLU A 103 -1.973 17.238 9.152 1.00 0.00 C ATOM 1556 OE1 GLU A 103 -1.569 17.775 10.206 1.00 0.00 O ATOM 1557 OE2 GLU A 103 -1.827 16.038 8.836 1.00 0.00 O ATOM 0 H GLU A 103 -0.336 16.900 6.714 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.600 18.272 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.754 18.961 7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.069 19.983 7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.382 18.807 8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.336 17.522 7.503 1.00 0.00 H new ATOM 1564 N GLU A 104 -1.408 20.408 4.641 1.00 0.00 N ATOM 1565 CA GLU A 104 -0.759 21.384 3.783 1.00 0.00 C ATOM 1566 C GLU A 104 0.645 21.697 4.303 1.00 0.00 C ATOM 1567 O GLU A 104 0.953 21.437 5.465 1.00 0.00 O ATOM 1568 CB GLU A 104 -1.598 22.658 3.669 1.00 0.00 C ATOM 1569 CG GLU A 104 -2.674 22.512 2.591 1.00 0.00 C ATOM 1570 CD GLU A 104 -4.071 22.459 3.214 1.00 0.00 C ATOM 1571 OE1 GLU A 104 -4.479 23.496 3.780 1.00 0.00 O ATOM 1572 OE2 GLU A 104 -4.698 21.383 3.111 1.00 0.00 O ATOM 0 H GLU A 104 -2.355 20.655 4.927 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.669 20.957 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.067 22.876 4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.952 23.503 3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.613 23.349 1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.495 21.605 2.014 1.00 0.00 H new ATOM 1579 N SER A 105 1.460 22.251 3.417 1.00 0.00 N ATOM 1580 CA SER A 105 2.825 22.602 3.772 1.00 0.00 C ATOM 1581 C SER A 105 2.842 23.928 4.535 1.00 0.00 C ATOM 1582 O SER A 105 1.937 24.747 4.384 1.00 0.00 O ATOM 1583 CB SER A 105 3.712 22.693 2.529 1.00 0.00 C ATOM 1584 OG SER A 105 3.078 23.409 1.472 1.00 0.00 O ATOM 0 H SER A 105 1.201 22.465 2.454 1.00 0.00 H new ATOM 0 HA SER A 105 3.225 21.816 4.413 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.650 23.184 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.962 21.688 2.188 1.00 0.00 H new ATOM 0 HG SER A 105 3.677 23.447 0.697 1.00 0.00 H new ATOM 1590 N GLY A 106 3.882 24.099 5.337 1.00 0.00 N ATOM 1591 CA GLY A 106 4.030 25.312 6.124 1.00 0.00 C ATOM 1592 C GLY A 106 5.491 25.536 6.518 1.00 0.00 C ATOM 1593 O GLY A 106 6.400 25.218 5.753 1.00 0.00 O ATOM 0 H GLY A 106 4.631 23.418 5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.669 26.167 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.414 25.245 7.021 1.00 0.00 H new ATOM 1597 N PRO A 107 5.676 26.096 7.744 1.00 0.00 N ATOM 1598 CA PRO A 107 7.011 26.366 8.249 1.00 0.00 C ATOM 1599 C PRO A 107 7.700 25.075 8.696 1.00 0.00 C ATOM 1600 O PRO A 107 8.903 24.909 8.501 1.00 0.00 O ATOM 1601 CB PRO A 107 6.810 27.355 9.385 1.00 0.00 C ATOM 1602 CG PRO A 107 5.345 27.247 9.777 1.00 0.00 C ATOM 1603 CD PRO A 107 4.623 26.485 8.677 1.00 0.00 C ATOM 0 HA PRO A 107 7.672 26.782 7.488 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.459 27.118 10.228 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.056 28.369 9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.242 26.729 10.731 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.910 28.238 9.904 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.104 25.613 9.074 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.873 27.108 8.190 1.00 0.00 H new ATOM 1611 N SER A 108 6.907 24.193 9.288 1.00 0.00 N ATOM 1612 CA SER A 108 7.425 22.922 9.764 1.00 0.00 C ATOM 1613 C SER A 108 8.680 23.152 10.609 1.00 0.00 C ATOM 1614 O SER A 108 9.795 23.120 10.091 1.00 0.00 O ATOM 1615 CB SER A 108 7.735 21.981 8.598 1.00 0.00 C ATOM 1616 OG SER A 108 6.596 21.218 8.211 1.00 0.00 O ATOM 0 H SER A 108 5.910 24.334 9.449 1.00 0.00 H new ATOM 0 HA SER A 108 6.660 22.451 10.381 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.088 22.563 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 108 8.544 21.307 8.881 1.00 0.00 H new ATOM 0 HG SER A 108 6.834 20.631 7.463 1.00 0.00 H new ATOM 1622 N SER A 109 8.456 23.379 11.895 1.00 0.00 N ATOM 1623 CA SER A 109 9.555 23.614 12.816 1.00 0.00 C ATOM 1624 C SER A 109 9.014 23.852 14.226 1.00 0.00 C ATOM 1625 O SER A 109 8.571 24.954 14.547 1.00 0.00 O ATOM 1626 CB SER A 109 10.406 24.803 12.365 1.00 0.00 C ATOM 1627 OG SER A 109 11.447 25.096 13.293 1.00 0.00 O ATOM 0 H SER A 109 7.530 23.405 12.321 1.00 0.00 H new ATOM 0 HA SER A 109 10.191 22.729 12.823 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.840 24.588 11.389 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.770 25.680 12.245 1.00 0.00 H new ATOM 0 HG SER A 109 11.969 25.860 12.969 1.00 0.00 H new ATOM 1633 N GLY A 110 9.068 22.802 15.032 1.00 0.00 N ATOM 1634 CA GLY A 110 8.588 22.883 16.401 1.00 0.00 C ATOM 1635 C GLY A 110 9.632 23.535 17.310 1.00 0.00 C ATOM 1636 O GLY A 110 10.255 24.527 16.934 1.00 0.00 O ATOM 0 H GLY A 110 9.437 21.890 14.763 1.00 0.00 H new ATOM 0 HA2 GLY A 110 7.663 23.459 16.432 1.00 0.00 H new ATOM 0 HA3 GLY A 110 8.354 21.884 16.768 1.00 0.00 H new TER 1640 GLY A 110