USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 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 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 32:sc= 0.99 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 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= -9.2! C(o=-9.2!,f=-19!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -160:sc= -1.21 USER MOD Single : A 52 LYS NZ :NH3+ -115:sc=-0.00606 (180deg=-0.979) USER MOD Single : A 53 SER OG : rot 131:sc= -0.663 USER MOD Single : A 57 SER OG : rot -28:sc= 0.0821 USER MOD Single : A 68 LYS NZ :NH3+ 147:sc= -2.13! (180deg=-4.33!) USER MOD Single : A 71 CYS SG : rot 180:sc= -0.986 USER MOD Single : A 78 ASN : amide:sc= -1.05 K(o=-1,f=-6.2!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 154:sc= -2.78! USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 92 GLN : amide:sc= -3.09 K(o=-3.1,f=-13!) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= 0.276 (180deg=0.134) USER MOD Single : A 105 SER OG : rot 180:sc= 0 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 -18.550 1.147 3.727 1.00 0.00 N ATOM 2 CA GLY A 1 -19.904 1.563 4.053 1.00 0.00 C ATOM 3 C GLY A 1 -20.149 1.498 5.562 1.00 0.00 C ATOM 4 O GLY A 1 -20.870 0.625 6.041 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.409 1.200 2.698 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.870 1.774 4.202 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.401 0.169 4.047 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.072 2.580 3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.619 0.923 3.537 1.00 0.00 H new ATOM 8 N SER A 2 -19.534 2.435 6.270 1.00 0.00 N ATOM 9 CA SER A 2 -19.676 2.495 7.715 1.00 0.00 C ATOM 10 C SER A 2 -20.225 3.861 8.130 1.00 0.00 C ATOM 11 O SER A 2 -19.876 4.881 7.537 1.00 0.00 O ATOM 12 CB SER A 2 -18.341 2.225 8.411 1.00 0.00 C ATOM 13 OG SER A 2 -18.259 0.894 8.912 1.00 0.00 O ATOM 0 H SER A 2 -18.937 3.158 5.870 1.00 0.00 H new ATOM 0 HA SER A 2 -20.378 1.720 8.023 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.525 2.399 7.710 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.211 2.930 9.232 1.00 0.00 H new ATOM 0 HG SER A 2 -17.391 0.761 9.348 1.00 0.00 H new ATOM 19 N SER A 3 -21.075 3.838 9.146 1.00 0.00 N ATOM 20 CA SER A 3 -21.675 5.062 9.648 1.00 0.00 C ATOM 21 C SER A 3 -20.586 6.012 10.150 1.00 0.00 C ATOM 22 O SER A 3 -19.585 5.572 10.713 1.00 0.00 O ATOM 23 CB SER A 3 -22.678 4.767 10.765 1.00 0.00 C ATOM 24 OG SER A 3 -22.033 4.548 12.017 1.00 0.00 O ATOM 0 H SER A 3 -21.362 2.990 9.635 1.00 0.00 H new ATOM 0 HA SER A 3 -22.214 5.538 8.829 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.374 5.601 10.857 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.266 3.888 10.501 1.00 0.00 H new ATOM 0 HG SER A 3 -22.707 4.365 12.705 1.00 0.00 H new ATOM 30 N GLY A 4 -20.817 7.297 9.927 1.00 0.00 N ATOM 31 CA GLY A 4 -19.868 8.313 10.349 1.00 0.00 C ATOM 32 C GLY A 4 -20.574 9.642 10.626 1.00 0.00 C ATOM 33 O GLY A 4 -21.776 9.668 10.888 1.00 0.00 O ATOM 0 H GLY A 4 -21.648 7.658 9.459 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.348 7.979 11.247 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.112 8.453 9.576 1.00 0.00 H new ATOM 37 N SER A 5 -19.797 10.713 10.559 1.00 0.00 N ATOM 38 CA SER A 5 -20.333 12.043 10.799 1.00 0.00 C ATOM 39 C SER A 5 -19.982 12.967 9.632 1.00 0.00 C ATOM 40 O SER A 5 -18.849 12.964 9.152 1.00 0.00 O ATOM 41 CB SER A 5 -19.803 12.621 12.112 1.00 0.00 C ATOM 42 OG SER A 5 -20.828 12.741 13.095 1.00 0.00 O ATOM 0 H SER A 5 -18.801 10.687 10.342 1.00 0.00 H new ATOM 0 HA SER A 5 -21.417 11.966 10.879 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.007 11.982 12.494 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.363 13.601 11.925 1.00 0.00 H new ATOM 0 HG SER A 5 -20.449 13.112 13.919 1.00 0.00 H new ATOM 48 N SER A 6 -20.974 13.736 9.208 1.00 0.00 N ATOM 49 CA SER A 6 -20.784 14.664 8.106 1.00 0.00 C ATOM 50 C SER A 6 -19.583 15.570 8.386 1.00 0.00 C ATOM 51 O SER A 6 -19.691 16.534 9.142 1.00 0.00 O ATOM 52 CB SER A 6 -22.040 15.505 7.871 1.00 0.00 C ATOM 53 OG SER A 6 -22.325 16.359 8.976 1.00 0.00 O ATOM 0 H SER A 6 -21.912 13.735 9.608 1.00 0.00 H new ATOM 0 HA SER A 6 -20.592 14.086 7.202 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.910 16.107 6.972 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.890 14.846 7.694 1.00 0.00 H new ATOM 0 HG SER A 6 -21.487 16.626 9.408 1.00 0.00 H new ATOM 59 N GLY A 7 -18.466 15.228 7.761 1.00 0.00 N ATOM 60 CA GLY A 7 -17.246 15.999 7.933 1.00 0.00 C ATOM 61 C GLY A 7 -16.021 15.189 7.504 1.00 0.00 C ATOM 62 O GLY A 7 -16.016 13.963 7.604 1.00 0.00 O ATOM 0 H GLY A 7 -18.380 14.427 7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.305 16.915 7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.143 16.296 8.977 1.00 0.00 H new ATOM 66 N PHE A 8 -15.012 15.907 7.034 1.00 0.00 N ATOM 67 CA PHE A 8 -13.784 15.271 6.589 1.00 0.00 C ATOM 68 C PHE A 8 -12.689 15.388 7.652 1.00 0.00 C ATOM 69 O PHE A 8 -11.717 16.120 7.470 1.00 0.00 O ATOM 70 CB PHE A 8 -13.331 16.006 5.326 1.00 0.00 C ATOM 71 CG PHE A 8 -12.535 15.136 4.351 1.00 0.00 C ATOM 72 CD1 PHE A 8 -13.094 14.009 3.834 1.00 0.00 C ATOM 73 CD2 PHE A 8 -11.270 15.490 4.001 1.00 0.00 C ATOM 74 CE1 PHE A 8 -12.355 13.202 2.929 1.00 0.00 C ATOM 75 CE2 PHE A 8 -10.531 14.683 3.096 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.089 13.555 2.579 1.00 0.00 C ATOM 0 H PHE A 8 -15.020 16.924 6.952 1.00 0.00 H new ATOM 0 HA PHE A 8 -13.961 14.212 6.402 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -14.208 16.399 4.813 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -12.721 16.861 5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -14.099 13.728 4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.827 16.385 4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.799 12.307 2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.526 14.965 2.818 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.527 12.940 1.891 1.00 0.00 H new ATOM 86 N PHE A 9 -12.884 14.655 8.739 1.00 0.00 N ATOM 87 CA PHE A 9 -11.926 14.667 9.831 1.00 0.00 C ATOM 88 C PHE A 9 -11.926 13.331 10.575 1.00 0.00 C ATOM 89 O PHE A 9 -12.984 12.817 10.936 1.00 0.00 O ATOM 90 CB PHE A 9 -12.359 15.774 10.794 1.00 0.00 C ATOM 91 CG PHE A 9 -11.196 16.560 11.402 1.00 0.00 C ATOM 92 CD1 PHE A 9 -10.398 15.979 12.338 1.00 0.00 C ATOM 93 CD2 PHE A 9 -10.960 17.840 11.007 1.00 0.00 C ATOM 94 CE1 PHE A 9 -9.318 16.709 12.902 1.00 0.00 C ATOM 95 CE2 PHE A 9 -9.880 18.570 11.572 1.00 0.00 C ATOM 96 CZ PHE A 9 -9.082 17.989 12.507 1.00 0.00 C ATOM 0 H PHE A 9 -13.691 14.049 8.886 1.00 0.00 H new ATOM 0 HA PHE A 9 -10.922 14.836 9.443 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -13.014 16.466 10.265 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -12.946 15.332 11.599 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -10.586 14.963 12.652 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -11.594 18.301 10.264 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.684 16.248 13.645 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.693 19.587 11.259 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.261 18.544 12.936 1.00 0.00 H new ATOM 106 N LYS A 10 -10.728 12.805 10.783 1.00 0.00 N ATOM 107 CA LYS A 10 -10.577 11.538 11.478 1.00 0.00 C ATOM 108 C LYS A 10 -9.236 11.523 12.216 1.00 0.00 C ATOM 109 O LYS A 10 -8.274 12.148 11.775 1.00 0.00 O ATOM 110 CB LYS A 10 -10.758 10.369 10.508 1.00 0.00 C ATOM 111 CG LYS A 10 -12.237 10.017 10.344 1.00 0.00 C ATOM 112 CD LYS A 10 -12.455 8.506 10.444 1.00 0.00 C ATOM 113 CE LYS A 10 -13.385 8.011 9.334 1.00 0.00 C ATOM 114 NZ LYS A 10 -12.647 7.884 8.058 1.00 0.00 N ATOM 0 H LYS A 10 -9.853 13.233 10.482 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.357 11.421 12.230 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.332 10.627 9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.212 9.500 10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.822 10.524 11.111 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.595 10.377 9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.496 7.992 10.376 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.881 8.260 11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.812 7.047 9.612 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.217 8.705 9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.293 7.547 7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.261 8.811 7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.868 7.205 8.174 1.00 0.00 H new ATOM 128 N GLY A 11 -9.217 10.801 13.327 1.00 0.00 N ATOM 129 CA GLY A 11 -8.011 10.696 14.131 1.00 0.00 C ATOM 130 C GLY A 11 -7.456 9.271 14.103 1.00 0.00 C ATOM 131 O GLY A 11 -8.190 8.310 14.328 1.00 0.00 O ATOM 0 H GLY A 11 -10.018 10.283 13.689 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.259 11.390 13.757 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.229 10.985 15.159 1.00 0.00 H new ATOM 135 N ALA A 12 -6.164 9.178 13.823 1.00 0.00 N ATOM 136 CA ALA A 12 -5.502 7.886 13.763 1.00 0.00 C ATOM 137 C ALA A 12 -4.928 7.547 15.140 1.00 0.00 C ATOM 138 O ALA A 12 -4.288 8.385 15.773 1.00 0.00 O ATOM 139 CB ALA A 12 -4.427 7.914 12.674 1.00 0.00 C ATOM 0 H ALA A 12 -5.558 9.977 13.635 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.213 7.102 13.500 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.930 6.945 12.628 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.890 8.130 11.711 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.694 8.687 12.906 1.00 0.00 H new ATOM 145 N ALA A 13 -5.178 6.317 15.563 1.00 0.00 N ATOM 146 CA ALA A 13 -4.694 5.857 16.854 1.00 0.00 C ATOM 147 C ALA A 13 -5.017 4.370 17.014 1.00 0.00 C ATOM 148 O ALA A 13 -6.167 4.003 17.255 1.00 0.00 O ATOM 149 CB ALA A 13 -5.311 6.710 17.964 1.00 0.00 C ATOM 0 H ALA A 13 -5.709 5.625 15.035 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.612 5.969 16.920 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.948 6.365 18.932 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.028 7.753 17.821 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.397 6.621 17.931 1.00 0.00 H new ATOM 155 N SER A 14 -3.983 3.554 16.874 1.00 0.00 N ATOM 156 CA SER A 14 -4.142 2.115 17.000 1.00 0.00 C ATOM 157 C SER A 14 -5.443 1.672 16.328 1.00 0.00 C ATOM 158 O SER A 14 -6.488 1.604 16.974 1.00 0.00 O ATOM 159 CB SER A 14 -4.130 1.686 18.468 1.00 0.00 C ATOM 160 OG SER A 14 -2.814 1.682 19.013 1.00 0.00 O ATOM 0 H SER A 14 -3.031 3.862 16.674 1.00 0.00 H new ATOM 0 HA SER A 14 -3.301 1.633 16.502 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.760 2.360 19.048 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.562 0.689 18.558 1.00 0.00 H new ATOM 0 HG SER A 14 -2.850 1.404 19.952 1.00 0.00 H new ATOM 166 N SER A 15 -5.337 1.381 15.040 1.00 0.00 N ATOM 167 CA SER A 15 -6.492 0.946 14.273 1.00 0.00 C ATOM 168 C SER A 15 -6.083 0.659 12.827 1.00 0.00 C ATOM 169 O SER A 15 -5.087 1.193 12.343 1.00 0.00 O ATOM 170 CB SER A 15 -7.606 1.994 14.312 1.00 0.00 C ATOM 171 OG SER A 15 -7.276 3.152 13.550 1.00 0.00 O ATOM 0 H SER A 15 -4.469 1.438 14.508 1.00 0.00 H new ATOM 0 HA SER A 15 -6.876 0.031 14.723 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.528 1.558 13.928 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.797 2.282 15.346 1.00 0.00 H new ATOM 0 HG SER A 15 -8.013 3.796 13.599 1.00 0.00 H new ATOM 177 N VAL A 16 -6.873 -0.183 12.178 1.00 0.00 N ATOM 178 CA VAL A 16 -6.606 -0.547 10.797 1.00 0.00 C ATOM 179 C VAL A 16 -7.844 -0.253 9.947 1.00 0.00 C ATOM 180 O VAL A 16 -8.967 -0.532 10.364 1.00 0.00 O ATOM 181 CB VAL A 16 -6.159 -2.008 10.717 1.00 0.00 C ATOM 182 CG1 VAL A 16 -5.712 -2.368 9.299 1.00 0.00 C ATOM 183 CG2 VAL A 16 -5.052 -2.299 11.733 1.00 0.00 C ATOM 0 H VAL A 16 -7.699 -0.624 12.583 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.788 0.051 10.397 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.015 -2.635 10.967 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.399 -3.412 9.270 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.541 -2.218 8.607 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.877 -1.731 9.008 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.752 -3.344 11.655 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.193 -1.659 11.529 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.421 -2.101 12.739 1.00 0.00 H new ATOM 193 N LEU A 17 -7.597 0.306 8.772 1.00 0.00 N ATOM 194 CA LEU A 17 -8.678 0.641 7.860 1.00 0.00 C ATOM 195 C LEU A 17 -9.184 -0.636 7.186 1.00 0.00 C ATOM 196 O LEU A 17 -8.603 -1.706 7.359 1.00 0.00 O ATOM 197 CB LEU A 17 -8.231 1.721 6.873 1.00 0.00 C ATOM 198 CG LEU A 17 -8.261 3.159 7.395 1.00 0.00 C ATOM 199 CD1 LEU A 17 -7.591 4.115 6.406 1.00 0.00 C ATOM 200 CD2 LEU A 17 -9.689 3.592 7.732 1.00 0.00 C ATOM 0 H LEU A 17 -6.664 0.536 8.430 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.519 1.069 8.406 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.215 1.493 6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.866 1.663 5.989 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.687 3.198 8.321 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.626 5.130 6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.553 3.818 6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.117 4.079 5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.681 4.618 8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.308 3.533 6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.097 2.934 8.499 1.00 0.00 H new ATOM 212 N GLU A 18 -10.263 -0.481 6.433 1.00 0.00 N ATOM 213 CA GLU A 18 -10.855 -1.608 5.732 1.00 0.00 C ATOM 214 C GLU A 18 -11.168 -1.228 4.284 1.00 0.00 C ATOM 215 O GLU A 18 -11.869 -0.249 4.033 1.00 0.00 O ATOM 216 CB GLU A 18 -12.110 -2.104 6.453 1.00 0.00 C ATOM 217 CG GLU A 18 -13.024 -2.873 5.496 1.00 0.00 C ATOM 218 CD GLU A 18 -13.742 -4.013 6.221 1.00 0.00 C ATOM 219 OE1 GLU A 18 -14.491 -3.698 7.171 1.00 0.00 O ATOM 220 OE2 GLU A 18 -13.526 -5.173 5.809 1.00 0.00 O ATOM 0 H GLU A 18 -10.743 0.408 6.293 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.134 -2.425 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.825 -2.747 7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.650 -1.257 6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.758 -2.193 5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.436 -3.275 4.671 1.00 0.00 H new ATOM 227 N LEU A 19 -10.632 -2.022 3.368 1.00 0.00 N ATOM 228 CA LEU A 19 -10.846 -1.780 1.951 1.00 0.00 C ATOM 229 C LEU A 19 -12.343 -1.859 1.645 1.00 0.00 C ATOM 230 O LEU A 19 -13.126 -2.324 2.472 1.00 0.00 O ATOM 231 CB LEU A 19 -9.995 -2.735 1.111 1.00 0.00 C ATOM 232 CG LEU A 19 -8.485 -2.486 1.136 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.134 -1.172 0.436 1.00 0.00 C ATOM 234 CD2 LEU A 19 -7.945 -2.536 2.567 1.00 0.00 C ATOM 0 H LEU A 19 -10.050 -2.833 3.579 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.518 -0.776 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.181 -3.753 1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.335 -2.679 0.077 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.997 -3.287 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.055 -1.019 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.464 -1.213 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.632 -0.345 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.870 -2.356 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.435 -1.770 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.144 -3.518 2.997 1.00 0.00 H new ATOM 246 N THR A 20 -12.695 -1.398 0.454 1.00 0.00 N ATOM 247 CA THR A 20 -14.085 -1.411 0.028 1.00 0.00 C ATOM 248 C THR A 20 -14.175 -1.529 -1.495 1.00 0.00 C ATOM 249 O THR A 20 -13.195 -1.288 -2.199 1.00 0.00 O ATOM 250 CB THR A 20 -14.760 -0.154 0.581 1.00 0.00 C ATOM 251 OG1 THR A 20 -14.332 0.884 -0.296 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.204 0.257 1.946 1.00 0.00 C ATOM 0 H THR A 20 -12.043 -1.013 -0.229 1.00 0.00 H new ATOM 0 HA THR A 20 -14.612 -2.281 0.421 1.00 0.00 H new ATOM 0 HB THR A 20 -15.833 -0.325 0.663 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.725 1.735 -0.011 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.717 1.154 2.293 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.361 -0.550 2.661 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.137 0.461 1.858 1.00 0.00 H new ATOM 260 N GLU A 21 -15.359 -1.900 -1.959 1.00 0.00 N ATOM 261 CA GLU A 21 -15.590 -2.053 -3.385 1.00 0.00 C ATOM 262 C GLU A 21 -14.786 -1.013 -4.167 1.00 0.00 C ATOM 263 O GLU A 21 -14.230 -1.317 -5.221 1.00 0.00 O ATOM 264 CB GLU A 21 -17.081 -1.955 -3.713 1.00 0.00 C ATOM 265 CG GLU A 21 -17.470 -2.956 -4.803 1.00 0.00 C ATOM 266 CD GLU A 21 -18.468 -2.339 -5.784 1.00 0.00 C ATOM 267 OE1 GLU A 21 -18.002 -1.595 -6.674 1.00 0.00 O ATOM 268 OE2 GLU A 21 -19.674 -2.624 -5.621 1.00 0.00 O ATOM 0 H GLU A 21 -16.169 -2.099 -1.372 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.251 -3.045 -3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.668 -2.144 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.319 -0.943 -4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.578 -3.278 -5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.906 -3.845 -4.347 1.00 0.00 H new ATOM 275 N ALA A 22 -14.752 0.194 -3.621 1.00 0.00 N ATOM 276 CA ALA A 22 -14.026 1.282 -4.255 1.00 0.00 C ATOM 277 C ALA A 22 -12.522 1.049 -4.093 1.00 0.00 C ATOM 278 O ALA A 22 -11.821 0.793 -5.070 1.00 0.00 O ATOM 279 CB ALA A 22 -14.477 2.615 -3.655 1.00 0.00 C ATOM 0 H ALA A 22 -15.215 0.443 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.241 1.316 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.932 3.431 -4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.546 2.746 -3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.274 2.619 -2.584 1.00 0.00 H new ATOM 285 N GLU A 23 -12.072 1.145 -2.850 1.00 0.00 N ATOM 286 CA GLU A 23 -10.664 0.948 -2.547 1.00 0.00 C ATOM 287 C GLU A 23 -10.155 -0.336 -3.205 1.00 0.00 C ATOM 288 O GLU A 23 -9.116 -0.330 -3.864 1.00 0.00 O ATOM 289 CB GLU A 23 -10.427 0.921 -1.036 1.00 0.00 C ATOM 290 CG GLU A 23 -9.806 2.234 -0.555 1.00 0.00 C ATOM 291 CD GLU A 23 -8.554 2.578 -1.365 1.00 0.00 C ATOM 292 OE1 GLU A 23 -7.547 1.861 -1.183 1.00 0.00 O ATOM 293 OE2 GLU A 23 -8.633 3.549 -2.147 1.00 0.00 O ATOM 0 H GLU A 23 -12.657 1.356 -2.042 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.103 1.789 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.371 0.750 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.770 0.089 -0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.535 3.040 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.549 2.154 0.501 1.00 0.00 H new ATOM 300 N LEU A 24 -10.909 -1.406 -3.003 1.00 0.00 N ATOM 301 CA LEU A 24 -10.547 -2.695 -3.568 1.00 0.00 C ATOM 302 C LEU A 24 -10.007 -2.492 -4.986 1.00 0.00 C ATOM 303 O LEU A 24 -8.912 -2.950 -5.308 1.00 0.00 O ATOM 304 CB LEU A 24 -11.728 -3.664 -3.493 1.00 0.00 C ATOM 305 CG LEU A 24 -11.811 -4.524 -2.230 1.00 0.00 C ATOM 306 CD1 LEU A 24 -12.251 -3.689 -1.026 1.00 0.00 C ATOM 307 CD2 LEU A 24 -12.719 -5.736 -2.451 1.00 0.00 C ATOM 0 H LEU A 24 -11.770 -1.407 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.749 -3.156 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.650 -3.089 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.684 -4.326 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.814 -4.905 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.302 -4.324 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.532 -2.888 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.233 -3.259 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.761 -6.331 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.722 -5.397 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.322 -6.345 -3.263 1.00 0.00 H new ATOM 319 N VAL A 25 -10.801 -1.805 -5.794 1.00 0.00 N ATOM 320 CA VAL A 25 -10.417 -1.535 -7.169 1.00 0.00 C ATOM 321 C VAL A 25 -8.997 -0.965 -7.195 1.00 0.00 C ATOM 322 O VAL A 25 -8.180 -1.362 -8.024 1.00 0.00 O ATOM 323 CB VAL A 25 -11.444 -0.612 -7.828 1.00 0.00 C ATOM 324 CG1 VAL A 25 -10.907 -0.046 -9.144 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.773 -1.338 -8.045 1.00 0.00 C ATOM 0 H VAL A 25 -11.709 -1.427 -5.523 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.408 -2.457 -7.751 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.625 0.224 -7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.656 0.607 -9.592 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.998 0.524 -8.951 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.683 -0.865 -9.828 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.486 -0.660 -8.515 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.615 -2.202 -8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.167 -1.670 -7.085 1.00 0.00 H new ATOM 335 N THR A 26 -8.747 -0.043 -6.277 1.00 0.00 N ATOM 336 CA THR A 26 -7.440 0.585 -6.184 1.00 0.00 C ATOM 337 C THR A 26 -6.429 -0.376 -5.556 1.00 0.00 C ATOM 338 O THR A 26 -5.293 -0.476 -6.017 1.00 0.00 O ATOM 339 CB THR A 26 -7.599 1.893 -5.406 1.00 0.00 C ATOM 340 OG1 THR A 26 -8.110 2.810 -6.369 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.254 2.496 -4.993 1.00 0.00 C ATOM 0 H THR A 26 -9.427 0.284 -5.591 1.00 0.00 H new ATOM 0 HA THR A 26 -7.044 0.822 -7.172 1.00 0.00 H new ATOM 0 HB THR A 26 -8.205 1.715 -4.518 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.245 3.685 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.424 3.422 -4.444 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.719 1.791 -4.357 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.660 2.705 -5.883 1.00 0.00 H new ATOM 349 N ALA A 27 -6.879 -1.060 -4.514 1.00 0.00 N ATOM 350 CA ALA A 27 -6.028 -2.010 -3.818 1.00 0.00 C ATOM 351 C ALA A 27 -5.609 -3.118 -4.787 1.00 0.00 C ATOM 352 O ALA A 27 -4.585 -3.769 -4.586 1.00 0.00 O ATOM 353 CB ALA A 27 -6.765 -2.554 -2.593 1.00 0.00 C ATOM 0 H ALA A 27 -7.822 -0.975 -4.135 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.120 -1.523 -3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.126 -3.267 -2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.014 -1.731 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.681 -3.052 -2.911 1.00 0.00 H new ATOM 359 N GLU A 28 -6.423 -3.298 -5.817 1.00 0.00 N ATOM 360 CA GLU A 28 -6.150 -4.315 -6.818 1.00 0.00 C ATOM 361 C GLU A 28 -5.175 -3.779 -7.868 1.00 0.00 C ATOM 362 O GLU A 28 -4.301 -4.506 -8.337 1.00 0.00 O ATOM 363 CB GLU A 28 -7.445 -4.804 -7.470 1.00 0.00 C ATOM 364 CG GLU A 28 -8.067 -5.947 -6.665 1.00 0.00 C ATOM 365 CD GLU A 28 -7.772 -7.300 -7.315 1.00 0.00 C ATOM 366 OE1 GLU A 28 -6.616 -7.478 -7.756 1.00 0.00 O ATOM 367 OE2 GLU A 28 -8.710 -8.126 -7.357 1.00 0.00 O ATOM 0 H GLU A 28 -7.272 -2.756 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.686 -5.169 -6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.153 -3.979 -7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.240 -5.140 -8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.675 -5.935 -5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.145 -5.801 -6.593 1.00 0.00 H new ATOM 374 N ALA A 29 -5.358 -2.511 -8.206 1.00 0.00 N ATOM 375 CA ALA A 29 -4.506 -1.869 -9.193 1.00 0.00 C ATOM 376 C ALA A 29 -3.071 -1.818 -8.664 1.00 0.00 C ATOM 377 O ALA A 29 -2.122 -2.046 -9.412 1.00 0.00 O ATOM 378 CB ALA A 29 -5.058 -0.480 -9.517 1.00 0.00 C ATOM 0 H ALA A 29 -6.084 -1.911 -7.814 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.495 -2.440 -10.122 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.419 0.002 -10.257 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.068 -0.574 -9.915 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.081 0.123 -8.609 1.00 0.00 H new ATOM 384 N VAL A 30 -2.958 -1.517 -7.379 1.00 0.00 N ATOM 385 CA VAL A 30 -1.655 -1.433 -6.741 1.00 0.00 C ATOM 386 C VAL A 30 -1.003 -2.817 -6.740 1.00 0.00 C ATOM 387 O VAL A 30 0.195 -2.943 -6.990 1.00 0.00 O ATOM 388 CB VAL A 30 -1.796 -0.837 -5.339 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.555 -1.127 -4.493 1.00 0.00 C ATOM 390 CG2 VAL A 30 -2.073 0.666 -5.408 1.00 0.00 C ATOM 0 H VAL A 30 -3.748 -1.328 -6.762 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.999 -0.765 -7.299 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.649 -1.313 -4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.681 -0.693 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.420 -2.205 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.322 -0.691 -4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.169 1.065 -4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.249 1.165 -5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.999 0.841 -5.957 1.00 0.00 H new ATOM 400 N ARG A 31 -1.819 -3.821 -6.454 1.00 0.00 N ATOM 401 CA ARG A 31 -1.337 -5.191 -6.416 1.00 0.00 C ATOM 402 C ARG A 31 -0.678 -5.558 -7.748 1.00 0.00 C ATOM 403 O ARG A 31 0.371 -6.200 -7.769 1.00 0.00 O ATOM 404 CB ARG A 31 -2.478 -6.169 -6.132 1.00 0.00 C ATOM 405 CG ARG A 31 -1.936 -7.538 -5.715 1.00 0.00 C ATOM 406 CD ARG A 31 -2.915 -8.255 -4.784 1.00 0.00 C ATOM 407 NE ARG A 31 -3.756 -9.194 -5.559 1.00 0.00 N ATOM 408 CZ ARG A 31 -3.391 -10.443 -5.876 1.00 0.00 C ATOM 409 NH1 ARG A 31 -2.198 -10.912 -5.486 1.00 0.00 N ATOM 410 NH2 ARG A 31 -4.220 -11.224 -6.583 1.00 0.00 N ATOM 0 H ARG A 31 -2.812 -3.713 -6.246 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.605 -5.263 -5.612 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.115 -5.770 -5.343 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.100 -6.276 -7.021 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.758 -8.148 -6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.976 -7.416 -5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.366 -8.797 -4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.545 -7.526 -4.274 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.671 -8.870 -5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.568 -10.318 -4.948 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.920 -11.863 -5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.128 -10.867 -6.879 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.942 -12.175 -6.825 1.00 0.00 H new ATOM 424 N SER A 32 -1.322 -5.136 -8.826 1.00 0.00 N ATOM 425 CA SER A 32 -0.812 -5.413 -10.158 1.00 0.00 C ATOM 426 C SER A 32 0.589 -4.819 -10.316 1.00 0.00 C ATOM 427 O SER A 32 1.435 -5.390 -11.003 1.00 0.00 O ATOM 428 CB SER A 32 -1.749 -4.857 -11.233 1.00 0.00 C ATOM 429 OG SER A 32 -1.469 -5.402 -12.519 1.00 0.00 O ATOM 0 H SER A 32 -2.192 -4.604 -8.804 1.00 0.00 H new ATOM 0 HA SER A 32 -0.758 -6.494 -10.286 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.782 -5.077 -10.963 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.654 -3.772 -11.271 1.00 0.00 H new ATOM 0 HG SER A 32 -2.089 -5.024 -13.177 1.00 0.00 H new ATOM 435 N VAL A 33 0.790 -3.680 -9.670 1.00 0.00 N ATOM 436 CA VAL A 33 2.074 -3.003 -9.730 1.00 0.00 C ATOM 437 C VAL A 33 3.158 -3.922 -9.164 1.00 0.00 C ATOM 438 O VAL A 33 4.166 -4.177 -9.822 1.00 0.00 O ATOM 439 CB VAL A 33 1.991 -1.659 -9.004 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.303 -0.882 -9.135 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.811 -0.831 -9.515 1.00 0.00 C ATOM 0 H VAL A 33 0.085 -3.209 -9.103 1.00 0.00 H new ATOM 0 HA VAL A 33 2.342 -2.783 -10.764 1.00 0.00 H new ATOM 0 HB VAL A 33 1.825 -1.861 -7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.216 0.069 -8.610 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.116 -1.464 -8.700 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.513 -0.697 -10.189 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.775 0.119 -8.982 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.932 -0.644 -10.582 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.117 -1.377 -9.346 1.00 0.00 H new ATOM 451 N TRP A 34 2.915 -4.394 -7.951 1.00 0.00 N ATOM 452 CA TRP A 34 3.858 -5.280 -7.289 1.00 0.00 C ATOM 453 C TRP A 34 4.173 -6.433 -8.244 1.00 0.00 C ATOM 454 O TRP A 34 5.324 -6.627 -8.630 1.00 0.00 O ATOM 455 CB TRP A 34 3.312 -5.753 -5.940 1.00 0.00 C ATOM 456 CG TRP A 34 3.297 -4.669 -4.861 1.00 0.00 C ATOM 457 CD1 TRP A 34 2.944 -3.382 -4.988 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.667 -4.830 -3.475 1.00 0.00 C ATOM 459 NE1 TRP A 34 3.059 -2.705 -3.791 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.512 -3.614 -2.842 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.117 -5.966 -2.780 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.786 -3.417 -1.483 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.387 -5.753 -1.423 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.236 -4.535 -0.770 1.00 0.00 C ATOM 0 H TRP A 34 2.078 -4.180 -7.408 1.00 0.00 H new ATOM 0 HA TRP A 34 4.785 -4.755 -7.059 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.297 -6.125 -6.081 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.914 -6.592 -5.590 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.611 -2.931 -5.911 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.850 -1.719 -3.632 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.244 -6.927 -3.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.657 -2.455 -1.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.737 -6.594 -0.843 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.465 -4.451 0.282 1.00 0.00 H new ATOM 475 N GLN A 35 3.129 -7.169 -8.597 1.00 0.00 N ATOM 476 CA GLN A 35 3.280 -8.298 -9.499 1.00 0.00 C ATOM 477 C GLN A 35 4.019 -7.869 -10.768 1.00 0.00 C ATOM 478 O GLN A 35 4.996 -8.501 -11.166 1.00 0.00 O ATOM 479 CB GLN A 35 1.922 -8.915 -9.838 1.00 0.00 C ATOM 480 CG GLN A 35 1.385 -9.738 -8.664 1.00 0.00 C ATOM 481 CD GLN A 35 2.110 -11.082 -8.561 1.00 0.00 C ATOM 482 OE1 GLN A 35 2.669 -11.437 -7.537 1.00 0.00 O ATOM 483 NE2 GLN A 35 2.068 -11.806 -9.675 1.00 0.00 N ATOM 0 H GLN A 35 2.175 -7.005 -8.275 1.00 0.00 H new ATOM 0 HA GLN A 35 3.874 -9.062 -8.997 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.213 -8.126 -10.089 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.017 -9.550 -10.719 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.511 -9.180 -7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.316 -9.906 -8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.582 -11.449 -10.498 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.522 -12.719 -9.707 1.00 0.00 H new ATOM 492 N ARG A 36 3.525 -6.796 -11.367 1.00 0.00 N ATOM 493 CA ARG A 36 4.126 -6.274 -12.583 1.00 0.00 C ATOM 494 C ARG A 36 5.617 -6.009 -12.366 1.00 0.00 C ATOM 495 O ARG A 36 6.438 -6.322 -13.227 1.00 0.00 O ATOM 496 CB ARG A 36 3.444 -4.977 -13.022 1.00 0.00 C ATOM 497 CG ARG A 36 2.243 -5.267 -13.926 1.00 0.00 C ATOM 498 CD ARG A 36 1.765 -3.995 -14.627 1.00 0.00 C ATOM 499 NE ARG A 36 0.505 -4.262 -15.356 1.00 0.00 N ATOM 500 CZ ARG A 36 -0.084 -3.388 -16.185 1.00 0.00 C ATOM 501 NH1 ARG A 36 0.470 -2.186 -16.394 1.00 0.00 N ATOM 502 NH2 ARG A 36 -1.226 -3.717 -16.804 1.00 0.00 N ATOM 0 H ARG A 36 2.715 -6.273 -11.033 1.00 0.00 H new ATOM 0 HA ARG A 36 3.996 -7.022 -13.365 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.117 -4.419 -12.145 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.159 -4.347 -13.552 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.516 -6.016 -14.670 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.430 -5.687 -13.333 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.610 -3.203 -13.895 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.529 -3.643 -15.321 1.00 0.00 H new ATOM 0 HE ARG A 36 0.056 -5.168 -15.219 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.339 -1.936 -15.923 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.022 -1.521 -17.025 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.647 -4.632 -16.645 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.674 -3.052 -17.435 1.00 0.00 H new ATOM 516 N ILE A 37 5.923 -5.436 -11.212 1.00 0.00 N ATOM 517 CA ILE A 37 7.301 -5.126 -10.871 1.00 0.00 C ATOM 518 C ILE A 37 8.049 -6.424 -10.562 1.00 0.00 C ATOM 519 O ILE A 37 8.926 -6.835 -11.320 1.00 0.00 O ATOM 520 CB ILE A 37 7.355 -4.100 -9.738 1.00 0.00 C ATOM 521 CG1 ILE A 37 6.944 -2.712 -10.235 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.734 -4.086 -9.075 1.00 0.00 C ATOM 523 CD1 ILE A 37 6.930 -1.700 -9.087 1.00 0.00 C ATOM 0 H ILE A 37 5.240 -5.178 -10.500 1.00 0.00 H new ATOM 0 HA ILE A 37 7.807 -4.659 -11.716 1.00 0.00 H new ATOM 0 HB ILE A 37 6.634 -4.396 -8.975 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.636 -2.380 -11.009 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.955 -2.763 -10.691 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.745 -3.348 -8.273 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.950 -5.072 -8.663 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.491 -3.828 -9.816 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.635 -0.722 -9.468 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.220 -2.023 -8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.926 -1.633 -8.649 1.00 0.00 H new ATOM 535 N LEU A 38 7.676 -7.033 -9.446 1.00 0.00 N ATOM 536 CA LEU A 38 8.301 -8.276 -9.027 1.00 0.00 C ATOM 537 C LEU A 38 7.935 -9.385 -10.015 1.00 0.00 C ATOM 538 O LEU A 38 6.777 -9.791 -10.097 1.00 0.00 O ATOM 539 CB LEU A 38 7.934 -8.598 -7.577 1.00 0.00 C ATOM 540 CG LEU A 38 8.213 -7.496 -6.553 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.239 -7.581 -5.376 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.672 -7.531 -6.094 1.00 0.00 C ATOM 0 H LEU A 38 6.949 -6.689 -8.819 1.00 0.00 H new ATOM 0 HA LEU A 38 9.387 -8.181 -9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.873 -8.843 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.479 -9.493 -7.276 1.00 0.00 H new ATOM 0 HG LEU A 38 8.050 -6.532 -7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.460 -6.786 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.218 -7.469 -5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.345 -8.548 -4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.844 -6.738 -5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.886 -8.496 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.327 -7.384 -6.953 1.00 0.00 H new ATOM 554 N PRO A 39 8.971 -9.855 -10.761 1.00 0.00 N ATOM 555 CA PRO A 39 8.769 -10.909 -11.740 1.00 0.00 C ATOM 556 C PRO A 39 8.598 -12.268 -11.057 1.00 0.00 C ATOM 557 O PRO A 39 7.507 -12.836 -11.061 1.00 0.00 O ATOM 558 CB PRO A 39 9.991 -10.847 -12.642 1.00 0.00 C ATOM 559 CG PRO A 39 11.045 -10.078 -11.863 1.00 0.00 C ATOM 560 CD PRO A 39 10.355 -9.398 -10.691 1.00 0.00 C ATOM 0 HA PRO A 39 7.855 -10.775 -12.319 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.343 -11.848 -12.892 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.758 -10.347 -13.582 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.825 -10.752 -11.508 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.529 -9.339 -12.502 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.817 -9.677 -9.744 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.418 -8.313 -10.770 1.00 0.00 H new ATOM 568 N LYS A 40 9.693 -12.749 -10.487 1.00 0.00 N ATOM 569 CA LYS A 40 9.678 -14.030 -9.801 1.00 0.00 C ATOM 570 C LYS A 40 8.362 -14.178 -9.035 1.00 0.00 C ATOM 571 O LYS A 40 7.743 -15.241 -9.057 1.00 0.00 O ATOM 572 CB LYS A 40 10.922 -14.182 -8.922 1.00 0.00 C ATOM 573 CG LYS A 40 11.895 -15.200 -9.520 1.00 0.00 C ATOM 574 CD LYS A 40 12.741 -15.856 -8.428 1.00 0.00 C ATOM 575 CE LYS A 40 14.233 -15.737 -8.744 1.00 0.00 C ATOM 576 NZ LYS A 40 15.035 -15.824 -7.503 1.00 0.00 N ATOM 0 H LYS A 40 10.596 -12.275 -10.486 1.00 0.00 H new ATOM 0 HA LYS A 40 9.722 -14.848 -10.520 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.418 -13.217 -8.818 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.628 -14.499 -7.921 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.339 -15.964 -10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.546 -14.706 -10.242 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.530 -15.385 -7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.468 -16.907 -8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.529 -16.529 -9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.430 -14.789 -9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.045 -15.741 -7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.764 -15.053 -6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.860 -16.739 -7.040 1.00 0.00 H new ATOM 590 N VAL A 41 7.973 -13.097 -8.375 1.00 0.00 N ATOM 591 CA VAL A 41 6.742 -13.093 -7.604 1.00 0.00 C ATOM 592 C VAL A 41 5.585 -13.546 -8.496 1.00 0.00 C ATOM 593 O VAL A 41 5.207 -12.844 -9.433 1.00 0.00 O ATOM 594 CB VAL A 41 6.515 -11.712 -6.986 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.154 -11.639 -6.291 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.645 -11.352 -6.019 1.00 0.00 C ATOM 0 H VAL A 41 8.489 -12.217 -8.358 1.00 0.00 H new ATOM 0 HA VAL A 41 6.809 -13.798 -6.775 1.00 0.00 H new ATOM 0 HB VAL A 41 6.518 -10.979 -7.793 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.018 -10.647 -5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.364 -11.831 -7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.109 -12.387 -5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.459 -10.366 -5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.688 -12.090 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.594 -11.343 -6.555 1.00 0.00 H new ATOM 606 N LEU A 42 5.054 -14.717 -8.175 1.00 0.00 N ATOM 607 CA LEU A 42 3.947 -15.271 -8.935 1.00 0.00 C ATOM 608 C LEU A 42 2.634 -14.674 -8.427 1.00 0.00 C ATOM 609 O LEU A 42 1.696 -14.479 -9.199 1.00 0.00 O ATOM 610 CB LEU A 42 3.983 -16.800 -8.896 1.00 0.00 C ATOM 611 CG LEU A 42 5.120 -17.465 -9.675 1.00 0.00 C ATOM 612 CD1 LEU A 42 6.084 -18.186 -8.730 1.00 0.00 C ATOM 613 CD2 LEU A 42 4.572 -18.398 -10.756 1.00 0.00 C ATOM 0 H LEU A 42 5.370 -15.297 -7.398 1.00 0.00 H new ATOM 0 HA LEU A 42 4.034 -14.999 -9.987 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.050 -17.115 -7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.036 -17.176 -9.283 1.00 0.00 H new ATOM 0 HG LEU A 42 5.689 -16.685 -10.181 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.882 -18.650 -9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.513 -17.468 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.544 -18.954 -8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.401 -18.857 -11.294 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.965 -19.176 -10.292 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.959 -17.827 -11.453 1.00 0.00 H new ATOM 625 N GLU A 43 2.609 -14.399 -7.131 1.00 0.00 N ATOM 626 CA GLU A 43 1.426 -13.828 -6.510 1.00 0.00 C ATOM 627 C GLU A 43 1.827 -12.842 -5.410 1.00 0.00 C ATOM 628 O GLU A 43 2.901 -12.965 -4.824 1.00 0.00 O ATOM 629 CB GLU A 43 0.512 -14.924 -5.958 1.00 0.00 C ATOM 630 CG GLU A 43 1.034 -15.450 -4.619 1.00 0.00 C ATOM 631 CD GLU A 43 0.299 -16.727 -4.208 1.00 0.00 C ATOM 632 OE1 GLU A 43 0.649 -17.788 -4.767 1.00 0.00 O ATOM 633 OE2 GLU A 43 -0.595 -16.613 -3.342 1.00 0.00 O ATOM 0 H GLU A 43 3.389 -14.561 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 43 0.867 -13.285 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.497 -14.531 -5.830 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.447 -15.743 -6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.103 -15.650 -4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.905 -14.688 -3.850 1.00 0.00 H new ATOM 640 N VAL A 44 0.942 -11.888 -5.164 1.00 0.00 N ATOM 641 CA VAL A 44 1.190 -10.882 -4.145 1.00 0.00 C ATOM 642 C VAL A 44 0.161 -11.035 -3.022 1.00 0.00 C ATOM 643 O VAL A 44 -1.042 -11.060 -3.277 1.00 0.00 O ATOM 644 CB VAL A 44 1.185 -9.488 -4.774 1.00 0.00 C ATOM 645 CG1 VAL A 44 0.706 -8.436 -3.772 1.00 0.00 C ATOM 646 CG2 VAL A 44 2.567 -9.131 -5.325 1.00 0.00 C ATOM 0 H VAL A 44 0.052 -11.790 -5.653 1.00 0.00 H new ATOM 0 HA VAL A 44 2.177 -11.021 -3.703 1.00 0.00 H new ATOM 0 HB VAL A 44 0.484 -9.499 -5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.712 -7.454 -4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.307 -8.677 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.371 -8.427 -2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.536 -8.135 -5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.297 -9.147 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.854 -9.857 -6.086 1.00 0.00 H new ATOM 656 N GLU A 45 0.673 -11.133 -1.804 1.00 0.00 N ATOM 657 CA GLU A 45 -0.186 -11.283 -0.642 1.00 0.00 C ATOM 658 C GLU A 45 0.207 -10.277 0.442 1.00 0.00 C ATOM 659 O GLU A 45 1.112 -9.467 0.244 1.00 0.00 O ATOM 660 CB GLU A 45 -0.137 -12.714 -0.104 1.00 0.00 C ATOM 661 CG GLU A 45 1.307 -13.171 0.110 1.00 0.00 C ATOM 662 CD GLU A 45 1.405 -14.697 0.116 1.00 0.00 C ATOM 663 OE1 GLU A 45 0.871 -15.296 1.074 1.00 0.00 O ATOM 664 OE2 GLU A 45 2.012 -15.231 -0.838 1.00 0.00 O ATOM 0 H GLU A 45 1.671 -11.111 -1.597 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.213 -11.079 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.683 -12.771 0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.635 -13.386 -0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.941 -12.766 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.681 -12.776 1.054 1.00 0.00 H new ATOM 671 N ASP A 46 -0.493 -10.360 1.564 1.00 0.00 N ATOM 672 CA ASP A 46 -0.228 -9.467 2.679 1.00 0.00 C ATOM 673 C ASP A 46 1.129 -9.814 3.294 1.00 0.00 C ATOM 674 O ASP A 46 1.757 -8.974 3.937 1.00 0.00 O ATOM 675 CB ASP A 46 -1.292 -9.616 3.768 1.00 0.00 C ATOM 676 CG ASP A 46 -1.662 -11.058 4.119 1.00 0.00 C ATOM 677 OD1 ASP A 46 -0.721 -11.872 4.240 1.00 0.00 O ATOM 678 OD2 ASP A 46 -2.878 -11.315 4.257 1.00 0.00 O ATOM 0 H ASP A 46 -1.243 -11.032 1.725 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.238 -8.444 2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.938 -9.118 4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.193 -9.093 3.448 1.00 0.00 H new ATOM 683 N SER A 47 1.543 -11.054 3.075 1.00 0.00 N ATOM 684 CA SER A 47 2.814 -11.522 3.599 1.00 0.00 C ATOM 685 C SER A 47 3.954 -11.086 2.677 1.00 0.00 C ATOM 686 O SER A 47 5.080 -10.885 3.128 1.00 0.00 O ATOM 687 CB SER A 47 2.816 -13.044 3.762 1.00 0.00 C ATOM 688 OG SER A 47 2.518 -13.439 5.098 1.00 0.00 O ATOM 0 H SER A 47 1.020 -11.748 2.542 1.00 0.00 H new ATOM 0 HA SER A 47 2.962 -11.078 4.583 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.085 -13.482 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.792 -13.438 3.477 1.00 0.00 H new ATOM 0 HG SER A 47 2.527 -14.417 5.160 1.00 0.00 H new ATOM 694 N THR A 48 3.622 -10.952 1.401 1.00 0.00 N ATOM 695 CA THR A 48 4.603 -10.543 0.411 1.00 0.00 C ATOM 696 C THR A 48 5.275 -9.235 0.834 1.00 0.00 C ATOM 697 O THR A 48 4.607 -8.216 1.001 1.00 0.00 O ATOM 698 CB THR A 48 3.899 -10.453 -0.944 1.00 0.00 C ATOM 699 OG1 THR A 48 3.783 -11.810 -1.366 1.00 0.00 O ATOM 700 CG2 THR A 48 4.775 -9.803 -2.017 1.00 0.00 C ATOM 0 H THR A 48 2.687 -11.120 1.030 1.00 0.00 H new ATOM 0 HA THR A 48 5.408 -11.273 0.328 1.00 0.00 H new ATOM 0 HB THR A 48 2.975 -9.884 -0.836 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.641 -11.840 -2.335 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.228 -9.764 -2.959 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.038 -8.791 -1.708 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.684 -10.390 -2.150 1.00 0.00 H new ATOM 708 N ASP A 49 6.588 -9.307 0.996 1.00 0.00 N ATOM 709 CA ASP A 49 7.357 -8.142 1.397 1.00 0.00 C ATOM 710 C ASP A 49 8.077 -7.566 0.176 1.00 0.00 C ATOM 711 O ASP A 49 8.990 -8.190 -0.362 1.00 0.00 O ATOM 712 CB ASP A 49 8.416 -8.512 2.438 1.00 0.00 C ATOM 713 CG ASP A 49 8.721 -7.420 3.466 1.00 0.00 C ATOM 714 OD1 ASP A 49 7.999 -7.382 4.486 1.00 0.00 O ATOM 715 OD2 ASP A 49 9.670 -6.648 3.209 1.00 0.00 O ATOM 0 H ASP A 49 7.139 -10.154 0.857 1.00 0.00 H new ATOM 0 HA ASP A 49 6.667 -7.415 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.087 -9.406 2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.339 -8.770 1.919 1.00 0.00 H new ATOM 720 N PHE A 50 7.638 -6.382 -0.226 1.00 0.00 N ATOM 721 CA PHE A 50 8.228 -5.715 -1.374 1.00 0.00 C ATOM 722 C PHE A 50 9.723 -6.024 -1.478 1.00 0.00 C ATOM 723 O PHE A 50 10.244 -6.228 -2.574 1.00 0.00 O ATOM 724 CB PHE A 50 8.043 -4.211 -1.161 1.00 0.00 C ATOM 725 CG PHE A 50 8.364 -3.365 -2.395 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.783 -3.656 -3.590 1.00 0.00 C ATOM 727 CD2 PHE A 50 9.231 -2.321 -2.297 1.00 0.00 C ATOM 728 CE1 PHE A 50 8.081 -2.870 -4.734 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.528 -1.535 -3.441 1.00 0.00 C ATOM 730 CZ PHE A 50 8.947 -1.826 -4.636 1.00 0.00 C ATOM 0 H PHE A 50 6.880 -5.868 0.223 1.00 0.00 H new ATOM 0 HA PHE A 50 7.749 -6.058 -2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.013 -4.021 -0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.680 -3.890 -0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.095 -4.485 -3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.693 -2.090 -1.349 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.620 -3.101 -5.683 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.215 -0.706 -3.363 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.173 -1.228 -5.507 1.00 0.00 H new ATOM 740 N PHE A 51 10.372 -6.048 -0.323 1.00 0.00 N ATOM 741 CA PHE A 51 11.796 -6.328 -0.270 1.00 0.00 C ATOM 742 C PHE A 51 12.068 -7.823 -0.449 1.00 0.00 C ATOM 743 O PHE A 51 12.686 -8.232 -1.430 1.00 0.00 O ATOM 744 CB PHE A 51 12.287 -5.894 1.112 1.00 0.00 C ATOM 745 CG PHE A 51 12.115 -4.400 1.393 1.00 0.00 C ATOM 746 CD1 PHE A 51 12.477 -3.485 0.454 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.599 -3.986 2.582 1.00 0.00 C ATOM 748 CE1 PHE A 51 12.317 -2.098 0.714 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.439 -2.599 2.842 1.00 0.00 C ATOM 750 CZ PHE A 51 11.802 -1.685 1.903 1.00 0.00 C ATOM 0 H PHE A 51 9.937 -5.878 0.584 1.00 0.00 H new ATOM 0 HA PHE A 51 12.310 -5.794 -1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.749 -6.460 1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.341 -6.152 1.209 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.886 -3.813 -0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.311 -4.712 3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.604 -1.372 -0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.029 -2.270 3.786 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.681 -0.630 2.102 1.00 0.00 H new ATOM 760 N LYS A 52 11.594 -8.597 0.516 1.00 0.00 N ATOM 761 CA LYS A 52 11.778 -10.038 0.478 1.00 0.00 C ATOM 762 C LYS A 52 11.618 -10.530 -0.962 1.00 0.00 C ATOM 763 O LYS A 52 12.359 -11.404 -1.409 1.00 0.00 O ATOM 764 CB LYS A 52 10.838 -10.725 1.471 1.00 0.00 C ATOM 765 CG LYS A 52 11.082 -10.221 2.895 1.00 0.00 C ATOM 766 CD LYS A 52 11.889 -11.237 3.706 1.00 0.00 C ATOM 767 CE LYS A 52 13.272 -10.685 4.055 1.00 0.00 C ATOM 768 NZ LYS A 52 14.261 -11.077 3.026 1.00 0.00 N ATOM 0 H LYS A 52 11.083 -8.254 1.329 1.00 0.00 H new ATOM 0 HA LYS A 52 12.787 -10.302 0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.803 -10.537 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.988 -11.804 1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.615 -9.271 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.127 -10.034 3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.352 -11.487 4.621 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.995 -12.160 3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.228 -9.599 4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.584 -11.060 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.970 -11.709 3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.777 -11.570 2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.732 -10.227 2.656 1.00 0.00 H new ATOM 782 N SER A 53 10.645 -9.948 -1.647 1.00 0.00 N ATOM 783 CA SER A 53 10.378 -10.317 -3.027 1.00 0.00 C ATOM 784 C SER A 53 11.647 -10.156 -3.867 1.00 0.00 C ATOM 785 O SER A 53 12.254 -11.145 -4.276 1.00 0.00 O ATOM 786 CB SER A 53 9.243 -9.474 -3.613 1.00 0.00 C ATOM 787 OG SER A 53 7.962 -9.954 -3.217 1.00 0.00 O ATOM 0 H SER A 53 10.032 -9.224 -1.273 1.00 0.00 H new ATOM 0 HA SER A 53 10.067 -11.361 -3.047 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.357 -8.439 -3.292 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.312 -9.480 -4.701 1.00 0.00 H new ATOM 0 HG SER A 53 7.422 -9.208 -2.882 1.00 0.00 H new ATOM 793 N GLY A 54 12.010 -8.903 -4.098 1.00 0.00 N ATOM 794 CA GLY A 54 13.196 -8.600 -4.882 1.00 0.00 C ATOM 795 C GLY A 54 13.127 -7.183 -5.454 1.00 0.00 C ATOM 796 O GLY A 54 13.479 -6.959 -6.611 1.00 0.00 O ATOM 0 H GLY A 54 11.504 -8.086 -3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.084 -8.702 -4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.293 -9.320 -5.695 1.00 0.00 H new ATOM 800 N ALA A 55 12.673 -6.262 -4.616 1.00 0.00 N ATOM 801 CA ALA A 55 12.554 -4.873 -5.024 1.00 0.00 C ATOM 802 C ALA A 55 13.863 -4.142 -4.717 1.00 0.00 C ATOM 803 O ALA A 55 14.297 -4.094 -3.567 1.00 0.00 O ATOM 804 CB ALA A 55 11.353 -4.236 -4.323 1.00 0.00 C ATOM 0 H ALA A 55 12.383 -6.451 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 55 12.380 -4.802 -6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.264 -3.194 -4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.445 -4.774 -4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.493 -4.286 -3.243 1.00 0.00 H new ATOM 810 N ALA A 56 14.456 -3.591 -5.766 1.00 0.00 N ATOM 811 CA ALA A 56 15.706 -2.865 -5.623 1.00 0.00 C ATOM 812 C ALA A 56 15.423 -1.481 -5.037 1.00 0.00 C ATOM 813 O ALA A 56 14.334 -1.232 -4.522 1.00 0.00 O ATOM 814 CB ALA A 56 16.411 -2.791 -6.979 1.00 0.00 C ATOM 0 H ALA A 56 14.094 -3.633 -6.719 1.00 0.00 H new ATOM 0 HA ALA A 56 16.374 -3.383 -4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.349 -2.246 -6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.616 -3.800 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.771 -2.274 -7.694 1.00 0.00 H new ATOM 820 N SER A 57 16.422 -0.616 -5.134 1.00 0.00 N ATOM 821 CA SER A 57 16.294 0.737 -4.620 1.00 0.00 C ATOM 822 C SER A 57 15.539 1.609 -5.624 1.00 0.00 C ATOM 823 O SER A 57 15.116 2.716 -5.295 1.00 0.00 O ATOM 824 CB SER A 57 17.666 1.343 -4.317 1.00 0.00 C ATOM 825 OG SER A 57 17.560 2.600 -3.653 1.00 0.00 O ATOM 0 H SER A 57 17.324 -0.826 -5.561 1.00 0.00 H new ATOM 0 HA SER A 57 15.731 0.697 -3.688 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.238 0.653 -3.697 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.220 1.470 -5.247 1.00 0.00 H new ATOM 0 HG SER A 57 16.717 3.032 -3.904 1.00 0.00 H new ATOM 831 N VAL A 58 15.393 1.078 -6.829 1.00 0.00 N ATOM 832 CA VAL A 58 14.696 1.795 -7.884 1.00 0.00 C ATOM 833 C VAL A 58 13.203 1.470 -7.814 1.00 0.00 C ATOM 834 O VAL A 58 12.363 2.349 -8.005 1.00 0.00 O ATOM 835 CB VAL A 58 15.317 1.461 -9.242 1.00 0.00 C ATOM 836 CG1 VAL A 58 16.842 1.377 -9.142 1.00 0.00 C ATOM 837 CG2 VAL A 58 14.733 0.166 -9.809 1.00 0.00 C ATOM 0 H VAL A 58 15.745 0.160 -7.099 1.00 0.00 H new ATOM 0 HA VAL A 58 14.802 2.871 -7.749 1.00 0.00 H new ATOM 0 HB VAL A 58 15.070 2.269 -9.931 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.258 1.138 -10.121 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.238 2.334 -8.803 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.118 0.598 -8.431 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.192 -0.048 -10.774 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.934 -0.656 -9.122 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.656 0.277 -9.936 1.00 0.00 H new ATOM 847 N ASP A 59 12.916 0.206 -7.539 1.00 0.00 N ATOM 848 CA ASP A 59 11.538 -0.244 -7.441 1.00 0.00 C ATOM 849 C ASP A 59 10.794 0.622 -6.423 1.00 0.00 C ATOM 850 O ASP A 59 9.616 0.925 -6.605 1.00 0.00 O ATOM 851 CB ASP A 59 11.467 -1.698 -6.968 1.00 0.00 C ATOM 852 CG ASP A 59 12.224 -2.700 -7.840 1.00 0.00 C ATOM 853 OD1 ASP A 59 13.319 -2.327 -8.315 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.691 -3.818 -8.014 1.00 0.00 O ATOM 0 H ASP A 59 13.614 -0.521 -7.381 1.00 0.00 H new ATOM 0 HA ASP A 59 11.085 -0.163 -8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.860 -1.753 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.420 -1.998 -6.921 1.00 0.00 H new ATOM 859 N VAL A 60 11.512 0.995 -5.374 1.00 0.00 N ATOM 860 CA VAL A 60 10.934 1.821 -4.327 1.00 0.00 C ATOM 861 C VAL A 60 10.282 3.054 -4.957 1.00 0.00 C ATOM 862 O VAL A 60 9.133 3.373 -4.659 1.00 0.00 O ATOM 863 CB VAL A 60 12.001 2.173 -3.289 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.486 3.229 -2.309 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.478 0.922 -2.547 1.00 0.00 C ATOM 0 H VAL A 60 12.489 0.741 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 60 10.153 1.275 -3.798 1.00 0.00 H new ATOM 0 HB VAL A 60 12.856 2.595 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.264 3.461 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.219 4.133 -2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.607 2.846 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.236 1.200 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.634 0.458 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.904 0.216 -3.260 1.00 0.00 H new ATOM 875 N VAL A 61 11.046 3.713 -5.816 1.00 0.00 N ATOM 876 CA VAL A 61 10.557 4.904 -6.490 1.00 0.00 C ATOM 877 C VAL A 61 9.528 4.500 -7.548 1.00 0.00 C ATOM 878 O VAL A 61 8.555 5.217 -7.778 1.00 0.00 O ATOM 879 CB VAL A 61 11.731 5.695 -7.070 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.263 7.042 -7.626 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.833 5.886 -6.026 1.00 0.00 C ATOM 0 H VAL A 61 11.999 3.445 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 61 10.054 5.564 -5.783 1.00 0.00 H new ATOM 0 HB VAL A 61 12.148 5.118 -7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.117 7.584 -8.032 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.530 6.875 -8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.808 7.627 -6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.655 6.451 -6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.433 6.431 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.196 4.912 -5.698 1.00 0.00 H new ATOM 891 N ARG A 62 9.777 3.352 -8.162 1.00 0.00 N ATOM 892 CA ARG A 62 8.884 2.845 -9.190 1.00 0.00 C ATOM 893 C ARG A 62 7.496 2.579 -8.603 1.00 0.00 C ATOM 894 O ARG A 62 6.499 3.109 -9.092 1.00 0.00 O ATOM 895 CB ARG A 62 9.426 1.552 -9.802 1.00 0.00 C ATOM 896 CG ARG A 62 9.150 1.499 -11.306 1.00 0.00 C ATOM 897 CD ARG A 62 9.860 0.307 -11.952 1.00 0.00 C ATOM 898 NE ARG A 62 9.010 -0.270 -13.017 1.00 0.00 N ATOM 899 CZ ARG A 62 9.175 -1.499 -13.525 1.00 0.00 C ATOM 900 NH1 ARG A 62 10.157 -2.287 -13.069 1.00 0.00 N ATOM 901 NH2 ARG A 62 8.356 -1.940 -14.491 1.00 0.00 N ATOM 0 H ARG A 62 10.584 2.759 -7.967 1.00 0.00 H new ATOM 0 HA ARG A 62 8.814 3.602 -9.971 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.499 1.483 -9.623 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.965 0.693 -9.314 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.076 1.425 -11.480 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.486 2.424 -11.774 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.815 0.625 -12.370 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.077 -0.450 -11.198 1.00 0.00 H new ATOM 0 HE ARG A 62 8.252 0.303 -13.387 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.780 -1.952 -12.334 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.282 -3.222 -13.456 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.608 -1.340 -14.839 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.481 -2.875 -14.878 1.00 0.00 H new ATOM 915 N LEU A 63 7.475 1.760 -7.562 1.00 0.00 N ATOM 916 CA LEU A 63 6.226 1.418 -6.903 1.00 0.00 C ATOM 917 C LEU A 63 5.517 2.701 -6.466 1.00 0.00 C ATOM 918 O LEU A 63 4.332 2.885 -6.742 1.00 0.00 O ATOM 919 CB LEU A 63 6.476 0.434 -5.759 1.00 0.00 C ATOM 920 CG LEU A 63 5.494 0.503 -4.587 1.00 0.00 C ATOM 921 CD1 LEU A 63 4.075 0.150 -5.039 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.961 -0.377 -3.427 1.00 0.00 C ATOM 0 H LEU A 63 8.304 1.323 -7.158 1.00 0.00 H new ATOM 0 HA LEU A 63 5.559 0.904 -7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.455 -0.577 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.482 0.603 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 63 5.470 1.530 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.397 0.207 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.752 0.853 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.064 -0.861 -5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.245 -0.309 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.033 -1.412 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.938 -0.038 -3.084 1.00 0.00 H new ATOM 934 N VAL A 64 6.272 3.557 -5.792 1.00 0.00 N ATOM 935 CA VAL A 64 5.730 4.818 -5.315 1.00 0.00 C ATOM 936 C VAL A 64 5.276 5.658 -6.510 1.00 0.00 C ATOM 937 O VAL A 64 4.201 6.255 -6.482 1.00 0.00 O ATOM 938 CB VAL A 64 6.761 5.532 -4.439 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.181 6.818 -3.847 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.280 4.606 -3.337 1.00 0.00 C ATOM 0 H VAL A 64 7.254 3.402 -5.565 1.00 0.00 H new ATOM 0 HA VAL A 64 4.855 4.645 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 64 7.606 5.806 -5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.934 7.306 -3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.884 7.488 -4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.311 6.577 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.011 5.138 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.449 4.287 -2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.750 3.732 -3.788 1.00 0.00 H new ATOM 950 N GLU A 65 6.119 5.678 -7.533 1.00 0.00 N ATOM 951 CA GLU A 65 5.817 6.435 -8.736 1.00 0.00 C ATOM 952 C GLU A 65 4.576 5.865 -9.425 1.00 0.00 C ATOM 953 O GLU A 65 3.733 6.616 -9.913 1.00 0.00 O ATOM 954 CB GLU A 65 7.015 6.450 -9.688 1.00 0.00 C ATOM 955 CG GLU A 65 8.073 7.453 -9.223 1.00 0.00 C ATOM 956 CD GLU A 65 8.011 8.739 -10.051 1.00 0.00 C ATOM 957 OE1 GLU A 65 7.038 9.497 -9.850 1.00 0.00 O ATOM 958 OE2 GLU A 65 8.938 8.934 -10.866 1.00 0.00 O ATOM 0 H GLU A 65 7.010 5.182 -7.553 1.00 0.00 H new ATOM 0 HA GLU A 65 5.608 7.466 -8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.453 5.453 -9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.682 6.707 -10.693 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.919 7.687 -8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.064 7.008 -9.310 1.00 0.00 H new ATOM 965 N GLU A 66 4.503 4.543 -9.443 1.00 0.00 N ATOM 966 CA GLU A 66 3.379 3.864 -10.064 1.00 0.00 C ATOM 967 C GLU A 66 2.079 4.215 -9.338 1.00 0.00 C ATOM 968 O GLU A 66 1.133 4.705 -9.952 1.00 0.00 O ATOM 969 CB GLU A 66 3.599 2.350 -10.092 1.00 0.00 C ATOM 970 CG GLU A 66 4.622 1.964 -11.162 1.00 0.00 C ATOM 971 CD GLU A 66 4.138 0.762 -11.976 1.00 0.00 C ATOM 972 OE1 GLU A 66 3.130 0.933 -12.696 1.00 0.00 O ATOM 973 OE2 GLU A 66 4.786 -0.300 -11.859 1.00 0.00 O ATOM 0 H GLU A 66 5.204 3.923 -9.037 1.00 0.00 H new ATOM 0 HA GLU A 66 3.300 4.206 -11.096 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.944 2.011 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.653 1.845 -10.289 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.796 2.811 -11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.576 1.728 -10.690 1.00 0.00 H new ATOM 980 N VAL A 67 2.074 3.951 -8.039 1.00 0.00 N ATOM 981 CA VAL A 67 0.906 4.233 -7.222 1.00 0.00 C ATOM 982 C VAL A 67 0.591 5.729 -7.291 1.00 0.00 C ATOM 983 O VAL A 67 -0.519 6.148 -6.964 1.00 0.00 O ATOM 984 CB VAL A 67 1.134 3.735 -5.794 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.075 4.041 -4.907 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.461 2.240 -5.780 1.00 0.00 C ATOM 0 H VAL A 67 2.861 3.545 -7.532 1.00 0.00 H new ATOM 0 HA VAL A 67 0.035 3.699 -7.602 1.00 0.00 H new ATOM 0 HB VAL A 67 1.992 4.269 -5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.113 3.677 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.242 5.118 -4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.958 3.547 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.619 1.912 -4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.632 1.682 -6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.365 2.060 -6.361 1.00 0.00 H new ATOM 996 N LYS A 68 1.586 6.492 -7.718 1.00 0.00 N ATOM 997 CA LYS A 68 1.428 7.932 -7.833 1.00 0.00 C ATOM 998 C LYS A 68 0.425 8.243 -8.946 1.00 0.00 C ATOM 999 O LYS A 68 -0.476 9.060 -8.763 1.00 0.00 O ATOM 1000 CB LYS A 68 2.788 8.606 -8.026 1.00 0.00 C ATOM 1001 CG LYS A 68 3.116 9.524 -6.847 1.00 0.00 C ATOM 1002 CD LYS A 68 4.322 9.001 -6.063 1.00 0.00 C ATOM 1003 CE LYS A 68 5.116 10.153 -5.444 1.00 0.00 C ATOM 1004 NZ LYS A 68 6.343 9.645 -4.792 1.00 0.00 N ATOM 0 H LYS A 68 2.505 6.141 -7.989 1.00 0.00 H new ATOM 0 HA LYS A 68 1.020 8.346 -6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.563 7.847 -8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.784 9.183 -8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.323 10.530 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.252 9.596 -6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.984 8.325 -5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.968 8.424 -6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.380 10.876 -6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.499 10.677 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.100 10.353 -4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.151 9.462 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.642 8.762 -5.254 1.00 0.00 H new ATOM 1018 N GLU A 69 0.615 7.575 -10.074 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.262 7.770 -11.216 1.00 0.00 C ATOM 1020 C GLU A 69 -1.657 7.219 -10.914 1.00 0.00 C ATOM 1021 O GLU A 69 -2.628 7.577 -11.580 1.00 0.00 O ATOM 1022 CB GLU A 69 0.322 7.124 -12.473 1.00 0.00 C ATOM 1023 CG GLU A 69 1.803 7.474 -12.632 1.00 0.00 C ATOM 1024 CD GLU A 69 2.042 8.278 -13.912 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.585 7.804 -14.974 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.676 9.350 -13.799 1.00 0.00 O ATOM 0 H GLU A 69 1.363 6.898 -10.222 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.348 8.840 -11.404 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.204 6.042 -12.418 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.231 7.461 -13.350 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.139 8.049 -11.769 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.396 6.560 -12.657 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.713 6.357 -9.909 1.00 0.00 N ATOM 1034 CA LEU A 70 -2.973 5.753 -9.511 1.00 0.00 C ATOM 1035 C LEU A 70 -3.882 6.827 -8.910 1.00 0.00 C ATOM 1036 O LEU A 70 -5.053 6.928 -9.272 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.727 4.564 -8.579 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.384 3.238 -9.261 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.273 2.108 -8.235 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.392 2.912 -10.365 1.00 0.00 C ATOM 0 H LEU A 70 -0.906 6.063 -9.359 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.491 5.346 -10.380 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.914 4.822 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.618 4.416 -7.968 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.408 3.340 -9.736 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.029 1.176 -8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.489 2.345 -7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.223 1.997 -7.712 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.125 1.965 -10.833 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.391 2.835 -9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.380 3.703 -11.114 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.307 7.603 -8.002 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.050 8.666 -7.348 1.00 0.00 C ATOM 1054 C CYS A 71 -3.586 10.003 -7.927 1.00 0.00 C ATOM 1055 O CYS A 71 -3.937 11.063 -7.410 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.889 8.615 -5.827 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.387 9.285 -5.016 1.00 0.00 S ATOM 0 H CYS A 71 -2.335 7.516 -7.704 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.116 8.540 -7.539 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.720 7.587 -5.505 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.014 9.191 -5.526 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.241 9.235 -3.725 1.00 0.00 H new ATOM 1063 N ASP A 72 -2.803 9.911 -8.992 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.286 11.101 -9.646 1.00 0.00 C ATOM 1065 C ASP A 72 -1.416 11.883 -8.661 1.00 0.00 C ATOM 1066 O ASP A 72 -1.900 12.786 -7.980 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.424 12.017 -10.101 1.00 0.00 C ATOM 1068 CG ASP A 72 -2.978 13.322 -10.764 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -1.796 13.679 -10.574 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -3.831 13.933 -11.444 1.00 0.00 O ATOM 0 H ASP A 72 -2.514 9.031 -9.418 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.708 10.784 -10.514 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.054 11.468 -10.801 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.043 12.259 -9.237 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.146 11.508 -8.616 1.00 0.00 N ATOM 1076 CA GLY A 73 0.797 12.163 -7.726 1.00 0.00 C ATOM 1077 C GLY A 73 0.457 11.877 -6.261 1.00 0.00 C ATOM 1078 O GLY A 73 0.499 12.777 -5.424 1.00 0.00 O ATOM 0 H GLY A 73 0.252 10.758 -9.182 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.808 11.817 -7.943 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.783 13.238 -7.903 1.00 0.00 H new ATOM 1082 N LEU A 74 0.128 10.621 -5.998 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.219 10.206 -4.649 1.00 0.00 C ATOM 1084 C LEU A 74 0.846 10.711 -3.675 1.00 0.00 C ATOM 1085 O LEU A 74 2.032 10.729 -4.000 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.436 8.693 -4.594 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.641 8.095 -3.200 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.948 8.589 -2.578 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.568 6.567 -3.243 1.00 0.00 C ATOM 0 H LEU A 74 0.094 9.877 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.166 10.652 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.305 8.448 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.424 8.206 -5.054 1.00 0.00 H new ATOM 0 HG LEU A 74 0.170 8.438 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.069 8.149 -1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.922 9.675 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.786 8.295 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.717 6.167 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.345 6.184 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.410 6.260 -3.615 1.00 0.00 H new ATOM 1101 N GLU A 75 0.385 11.109 -2.498 1.00 0.00 N ATOM 1102 CA GLU A 75 1.284 11.613 -1.474 1.00 0.00 C ATOM 1103 C GLU A 75 2.073 10.461 -0.846 1.00 0.00 C ATOM 1104 O GLU A 75 1.964 10.211 0.353 1.00 0.00 O ATOM 1105 CB GLU A 75 0.516 12.397 -0.407 1.00 0.00 C ATOM 1106 CG GLU A 75 0.297 13.846 -0.844 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.634 14.577 0.126 1.00 0.00 C ATOM 1108 OE1 GLU A 75 -1.473 13.882 0.739 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -0.484 15.813 0.234 1.00 0.00 O ATOM 0 H GLU A 75 -0.599 11.093 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 75 1.990 12.298 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.446 11.920 -0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.068 12.376 0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.255 14.363 -0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.129 13.867 -1.847 1.00 0.00 H new ATOM 1116 N LEU A 76 2.849 9.791 -1.685 1.00 0.00 N ATOM 1117 CA LEU A 76 3.655 8.672 -1.228 1.00 0.00 C ATOM 1118 C LEU A 76 5.133 9.067 -1.262 1.00 0.00 C ATOM 1119 O LEU A 76 5.541 9.890 -2.079 1.00 0.00 O ATOM 1120 CB LEU A 76 3.335 7.415 -2.039 1.00 0.00 C ATOM 1121 CG LEU A 76 3.696 6.082 -1.379 1.00 0.00 C ATOM 1122 CD1 LEU A 76 2.753 5.773 -0.215 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.725 4.951 -2.410 1.00 0.00 C ATOM 0 H LEU A 76 2.937 10.002 -2.679 1.00 0.00 H new ATOM 0 HA LEU A 76 3.414 8.425 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.268 7.411 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.858 7.479 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 76 4.701 6.166 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.032 4.821 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.826 6.563 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.728 5.714 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.984 4.015 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.743 4.857 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.468 5.175 -3.175 1.00 0.00 H new ATOM 1135 N GLU A 77 5.895 8.460 -0.363 1.00 0.00 N ATOM 1136 CA GLU A 77 7.319 8.738 -0.280 1.00 0.00 C ATOM 1137 C GLU A 77 8.100 7.441 -0.063 1.00 0.00 C ATOM 1138 O GLU A 77 7.585 6.492 0.527 1.00 0.00 O ATOM 1139 CB GLU A 77 7.616 9.749 0.829 1.00 0.00 C ATOM 1140 CG GLU A 77 6.507 9.750 1.883 1.00 0.00 C ATOM 1141 CD GLU A 77 6.773 10.805 2.958 1.00 0.00 C ATOM 1142 OE1 GLU A 77 7.887 10.771 3.524 1.00 0.00 O ATOM 1143 OE2 GLU A 77 5.856 11.622 3.190 1.00 0.00 O ATOM 0 H GLU A 77 5.553 7.777 0.313 1.00 0.00 H new ATOM 0 HA GLU A 77 7.640 9.179 -1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.569 9.508 1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.715 10.746 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.547 9.946 1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.438 8.765 2.344 1.00 0.00 H new ATOM 1150 N ASN A 78 9.332 7.441 -0.553 1.00 0.00 N ATOM 1151 CA ASN A 78 10.190 6.275 -0.420 1.00 0.00 C ATOM 1152 C ASN A 78 10.079 5.725 1.003 1.00 0.00 C ATOM 1153 O ASN A 78 10.199 4.520 1.218 1.00 0.00 O ATOM 1154 CB ASN A 78 11.654 6.638 -0.674 1.00 0.00 C ATOM 1155 CG ASN A 78 11.833 7.261 -2.060 1.00 0.00 C ATOM 1156 OD1 ASN A 78 11.617 6.634 -3.084 1.00 0.00 O ATOM 1157 ND2 ASN A 78 12.238 8.528 -2.035 1.00 0.00 N ATOM 0 H ASN A 78 9.756 8.229 -1.042 1.00 0.00 H new ATOM 0 HA ASN A 78 9.869 5.535 -1.153 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.997 7.336 0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.273 5.745 -0.590 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.386 9.033 -2.909 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.401 8.994 -1.142 1.00 0.00 H new ATOM 1164 N GLU A 79 9.851 6.635 1.939 1.00 0.00 N ATOM 1165 CA GLU A 79 9.722 6.256 3.336 1.00 0.00 C ATOM 1166 C GLU A 79 8.542 5.300 3.520 1.00 0.00 C ATOM 1167 O GLU A 79 8.651 4.303 4.232 1.00 0.00 O ATOM 1168 CB GLU A 79 9.573 7.490 4.227 1.00 0.00 C ATOM 1169 CG GLU A 79 10.846 7.738 5.039 1.00 0.00 C ATOM 1170 CD GLU A 79 10.510 8.150 6.474 1.00 0.00 C ATOM 1171 OE1 GLU A 79 9.548 7.570 7.020 1.00 0.00 O ATOM 1172 OE2 GLU A 79 11.224 9.036 6.991 1.00 0.00 O ATOM 0 H GLU A 79 9.752 7.634 1.757 1.00 0.00 H new ATOM 0 HA GLU A 79 10.633 5.739 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.354 8.363 3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.728 7.356 4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.456 6.835 5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.439 8.518 4.562 1.00 0.00 H new ATOM 1179 N ASP A 80 7.440 5.638 2.866 1.00 0.00 N ATOM 1180 CA ASP A 80 6.241 4.823 2.949 1.00 0.00 C ATOM 1181 C ASP A 80 6.607 3.358 2.699 1.00 0.00 C ATOM 1182 O ASP A 80 6.180 2.473 3.439 1.00 0.00 O ATOM 1183 CB ASP A 80 5.216 5.241 1.892 1.00 0.00 C ATOM 1184 CG ASP A 80 5.262 4.435 0.592 1.00 0.00 C ATOM 1185 OD1 ASP A 80 6.212 4.668 -0.186 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.347 3.605 0.406 1.00 0.00 O ATOM 0 H ASP A 80 7.353 6.466 2.276 1.00 0.00 H new ATOM 0 HA ASP A 80 5.811 4.957 3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.218 5.153 2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.370 6.294 1.655 1.00 0.00 H new ATOM 1191 N VAL A 81 7.393 3.148 1.653 1.00 0.00 N ATOM 1192 CA VAL A 81 7.821 1.806 1.297 1.00 0.00 C ATOM 1193 C VAL A 81 8.676 1.231 2.428 1.00 0.00 C ATOM 1194 O VAL A 81 8.434 0.116 2.888 1.00 0.00 O ATOM 1195 CB VAL A 81 8.548 1.829 -0.049 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.998 0.424 -0.454 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.672 2.458 -1.135 1.00 0.00 C ATOM 0 H VAL A 81 7.744 3.884 1.041 1.00 0.00 H new ATOM 0 HA VAL A 81 6.959 1.150 1.175 1.00 0.00 H new ATOM 0 HB VAL A 81 9.439 2.447 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.512 0.469 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.676 0.027 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.128 -0.227 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.213 2.462 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.755 1.879 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.424 3.482 -0.855 1.00 0.00 H new ATOM 1207 N TYR A 82 9.658 2.017 2.843 1.00 0.00 N ATOM 1208 CA TYR A 82 10.550 1.600 3.911 1.00 0.00 C ATOM 1209 C TYR A 82 9.770 1.306 5.194 1.00 0.00 C ATOM 1210 O TYR A 82 10.208 0.509 6.022 1.00 0.00 O ATOM 1211 CB TYR A 82 11.492 2.780 4.160 1.00 0.00 C ATOM 1212 CG TYR A 82 12.337 3.169 2.945 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.400 2.330 1.851 1.00 0.00 C ATOM 1214 CD2 TYR A 82 13.036 4.359 2.943 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.195 2.696 0.708 1.00 0.00 C ATOM 1216 CE2 TYR A 82 13.831 4.725 1.800 1.00 0.00 C ATOM 1217 CZ TYR A 82 13.872 3.875 0.739 1.00 0.00 C ATOM 1218 OH TYR A 82 14.623 4.221 -0.341 1.00 0.00 O ATOM 0 H TYR A 82 9.856 2.941 2.459 1.00 0.00 H new ATOM 0 HA TYR A 82 11.083 0.691 3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.903 3.643 4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.157 2.533 4.988 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.853 1.399 1.852 1.00 0.00 H new ATOM 0 HD2 TYR A 82 12.987 5.016 3.799 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.252 2.049 -0.155 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.382 5.654 1.785 1.00 0.00 H new ATOM 0 HH TYR A 82 15.049 5.089 -0.179 1.00 0.00 H new ATOM 1228 N MET A 83 8.628 1.966 5.318 1.00 0.00 N ATOM 1229 CA MET A 83 7.782 1.785 6.485 1.00 0.00 C ATOM 1230 C MET A 83 6.895 0.548 6.334 1.00 0.00 C ATOM 1231 O MET A 83 6.736 -0.225 7.278 1.00 0.00 O ATOM 1232 CB MET A 83 6.903 3.023 6.676 1.00 0.00 C ATOM 1233 CG MET A 83 5.893 2.810 7.805 1.00 0.00 C ATOM 1234 SD MET A 83 6.747 2.612 9.359 1.00 0.00 S ATOM 1235 CE MET A 83 5.353 2.410 10.456 1.00 0.00 C ATOM 0 H MET A 83 8.269 2.627 4.629 1.00 0.00 H new ATOM 0 HA MET A 83 8.423 1.645 7.356 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.529 3.886 6.901 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.375 3.245 5.748 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.213 3.660 7.860 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.286 1.928 7.599 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.710 2.274 11.477 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.721 3.297 10.408 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.776 1.536 10.154 1.00 0.00 H new ATOM 1245 N ALA A 84 6.341 0.399 5.140 1.00 0.00 N ATOM 1246 CA ALA A 84 5.474 -0.732 4.853 1.00 0.00 C ATOM 1247 C ALA A 84 6.032 -1.506 3.657 1.00 0.00 C ATOM 1248 O ALA A 84 5.780 -1.146 2.508 1.00 0.00 O ATOM 1249 CB ALA A 84 4.048 -0.233 4.611 1.00 0.00 C ATOM 0 H ALA A 84 6.475 1.042 4.360 1.00 0.00 H new ATOM 0 HA ALA A 84 5.441 -1.416 5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.398 -1.081 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.688 0.284 5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.042 0.453 3.764 1.00 0.00 H new ATOM 1255 N SER A 85 6.779 -2.555 3.969 1.00 0.00 N ATOM 1256 CA SER A 85 7.375 -3.383 2.934 1.00 0.00 C ATOM 1257 C SER A 85 6.359 -4.415 2.440 1.00 0.00 C ATOM 1258 O SER A 85 6.409 -4.839 1.287 1.00 0.00 O ATOM 1259 CB SER A 85 8.636 -4.082 3.446 1.00 0.00 C ATOM 1260 OG SER A 85 8.346 -5.009 4.489 1.00 0.00 O ATOM 0 H SER A 85 6.985 -2.850 4.923 1.00 0.00 H new ATOM 0 HA SER A 85 7.662 -2.738 2.103 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.121 -4.604 2.621 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.342 -3.336 3.810 1.00 0.00 H new ATOM 0 HG SER A 85 9.033 -5.708 4.506 1.00 0.00 H new ATOM 1266 N THR A 86 5.460 -4.790 3.339 1.00 0.00 N ATOM 1267 CA THR A 86 4.433 -5.764 3.009 1.00 0.00 C ATOM 1268 C THR A 86 3.210 -5.068 2.409 1.00 0.00 C ATOM 1269 O THR A 86 2.817 -3.995 2.863 1.00 0.00 O ATOM 1270 CB THR A 86 4.117 -6.565 4.274 1.00 0.00 C ATOM 1271 OG1 THR A 86 3.879 -5.568 5.265 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.332 -7.331 4.801 1.00 0.00 C ATOM 0 H THR A 86 5.422 -4.437 4.295 1.00 0.00 H new ATOM 0 HA THR A 86 4.779 -6.460 2.244 1.00 0.00 H new ATOM 0 HB THR A 86 3.308 -7.266 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.665 -6.000 6.118 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.053 -7.882 5.699 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.680 -8.029 4.040 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.130 -6.628 5.040 1.00 0.00 H new ATOM 1280 N PHE A 87 2.642 -5.708 1.397 1.00 0.00 N ATOM 1281 CA PHE A 87 1.472 -5.164 0.730 1.00 0.00 C ATOM 1282 C PHE A 87 0.389 -4.786 1.743 1.00 0.00 C ATOM 1283 O PHE A 87 -0.113 -3.664 1.731 1.00 0.00 O ATOM 1284 CB PHE A 87 0.932 -6.260 -0.191 1.00 0.00 C ATOM 1285 CG PHE A 87 -0.093 -5.764 -1.213 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.313 -5.025 -2.279 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.411 -6.064 -1.055 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.639 -4.565 -3.228 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.362 -5.604 -2.004 1.00 0.00 C ATOM 1290 CZ PHE A 87 -1.956 -4.864 -3.070 1.00 0.00 C ATOM 0 H PHE A 87 2.971 -6.598 1.023 1.00 0.00 H new ATOM 0 HA PHE A 87 1.744 -4.265 0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.767 -6.718 -0.722 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.475 -7.040 0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.359 -4.788 -2.405 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.734 -6.652 -0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.317 -3.978 -4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.408 -5.842 -1.879 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.680 -4.514 -3.791 1.00 0.00 H new ATOM 1300 N GLY A 88 0.062 -5.746 2.597 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.952 -5.528 3.615 1.00 0.00 C ATOM 1302 C GLY A 88 -0.721 -4.203 4.344 1.00 0.00 C ATOM 1303 O GLY A 88 -1.593 -3.335 4.353 1.00 0.00 O ATOM 0 H GLY A 88 0.481 -6.676 2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.940 -5.526 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.935 -6.349 4.332 1.00 0.00 H new ATOM 1307 N ASP A 89 0.458 -4.087 4.936 1.00 0.00 N ATOM 1308 CA ASP A 89 0.815 -2.882 5.666 1.00 0.00 C ATOM 1309 C ASP A 89 0.757 -1.682 4.718 1.00 0.00 C ATOM 1310 O ASP A 89 0.196 -0.642 5.061 1.00 0.00 O ATOM 1311 CB ASP A 89 2.236 -2.976 6.224 1.00 0.00 C ATOM 1312 CG ASP A 89 2.547 -2.008 7.368 1.00 0.00 C ATOM 1313 OD1 ASP A 89 1.697 -1.916 8.280 1.00 0.00 O ATOM 1314 OD2 ASP A 89 3.626 -1.382 7.303 1.00 0.00 O ATOM 0 H ASP A 89 1.179 -4.808 4.925 1.00 0.00 H new ATOM 0 HA ASP A 89 0.112 -2.766 6.491 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.406 -3.994 6.573 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.941 -2.795 5.413 1.00 0.00 H new ATOM 1319 N PHE A 90 1.345 -1.866 3.545 1.00 0.00 N ATOM 1320 CA PHE A 90 1.368 -0.811 2.546 1.00 0.00 C ATOM 1321 C PHE A 90 -0.049 -0.340 2.214 1.00 0.00 C ATOM 1322 O PHE A 90 -0.384 0.826 2.421 1.00 0.00 O ATOM 1323 CB PHE A 90 2.005 -1.402 1.287 1.00 0.00 C ATOM 1324 CG PHE A 90 2.225 -0.385 0.165 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.373 0.343 0.123 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.274 -0.210 -0.791 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.578 1.287 -0.917 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.478 0.734 -1.832 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.626 1.463 -1.873 1.00 0.00 C ATOM 0 H PHE A 90 1.809 -2.730 3.264 1.00 0.00 H new ATOM 0 HA PHE A 90 1.928 0.046 2.921 1.00 0.00 H new ATOM 0 HB2 PHE A 90 2.964 -1.848 1.552 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.371 -2.207 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.129 0.203 0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.363 -0.789 -0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.489 1.865 -0.949 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.722 0.873 -2.591 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.782 2.181 -2.664 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.843 -1.269 1.704 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.216 -0.963 1.341 1.00 0.00 C ATOM 1341 C ILE A 91 -2.832 -0.058 2.409 1.00 0.00 C ATOM 1342 O ILE A 91 -3.386 0.994 2.093 1.00 0.00 O ATOM 1343 CB ILE A 91 -3.006 -2.251 1.097 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.600 -2.900 -0.228 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.512 -1.993 1.171 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.942 -1.992 -1.411 1.00 0.00 C ATOM 0 H ILE A 91 -0.562 -2.235 1.533 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.247 -0.414 0.400 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.761 -2.957 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.530 -3.108 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.110 -3.857 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -5.050 -2.924 0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.767 -1.609 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.794 -1.262 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.643 -2.477 -2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.016 -1.806 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.411 -1.046 -1.309 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.714 -0.499 3.653 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.252 0.259 4.770 1.00 0.00 C ATOM 1360 C GLN A 92 -2.798 1.718 4.689 1.00 0.00 C ATOM 1361 O GLN A 92 -3.610 2.632 4.823 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.846 -0.369 6.105 1.00 0.00 C ATOM 1363 CG GLN A 92 -3.872 -1.410 6.556 1.00 0.00 C ATOM 1364 CD GLN A 92 -5.271 -0.797 6.651 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -5.470 0.278 7.192 1.00 0.00 O ATOM 1366 NE2 GLN A 92 -6.225 -1.537 6.095 1.00 0.00 N ATOM 0 H GLN A 92 -2.254 -1.372 3.912 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.340 0.234 4.711 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.866 -0.837 6.008 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.754 0.408 6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.883 -2.243 5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -3.582 -1.815 7.526 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.990 -2.428 5.658 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.192 -1.214 6.105 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.503 1.890 4.472 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.931 3.222 4.372 1.00 0.00 C ATOM 1377 C LEU A 93 -1.517 3.933 3.151 1.00 0.00 C ATOM 1378 O LEU A 93 -1.939 5.085 3.243 1.00 0.00 O ATOM 1379 CB LEU A 93 0.597 3.150 4.367 1.00 0.00 C ATOM 1380 CG LEU A 93 1.311 4.123 3.426 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.612 4.633 4.050 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.544 3.487 2.054 1.00 0.00 C ATOM 0 H LEU A 93 -0.833 1.129 4.363 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.196 3.817 5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.953 3.330 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.892 2.135 4.101 1.00 0.00 H new ATOM 0 HG LEU A 93 0.666 4.988 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.100 5.323 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.390 5.149 4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.274 3.791 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.053 4.199 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.160 2.595 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.586 3.213 1.612 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.524 3.218 2.036 1.00 0.00 N ATOM 1395 CA LEU A 94 -2.052 3.767 0.798 1.00 0.00 C ATOM 1396 C LEU A 94 -3.501 4.204 1.016 1.00 0.00 C ATOM 1397 O LEU A 94 -3.847 5.360 0.777 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.877 2.768 -0.348 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.854 2.910 -1.516 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -2.420 4.032 -2.462 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -3.030 1.579 -2.249 1.00 0.00 C ATOM 0 H LEU A 94 -1.173 2.263 1.964 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.492 4.655 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.863 2.863 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.970 1.760 0.057 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.828 3.187 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.132 4.111 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.388 4.975 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.430 3.810 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.730 1.708 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.067 1.248 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.419 0.831 -1.558 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.311 3.257 1.467 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.715 3.530 1.720 1.00 0.00 C ATOM 1415 C VAL A 95 -5.841 4.824 2.527 1.00 0.00 C ATOM 1416 O VAL A 95 -6.694 5.661 2.236 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.366 2.329 2.410 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.799 2.653 2.837 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.328 1.093 1.509 1.00 0.00 C ATOM 0 H VAL A 95 -4.021 2.299 1.664 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.250 3.678 0.782 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.791 2.106 3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.239 1.783 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.791 3.493 3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.390 2.914 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.797 0.254 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.867 1.300 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.293 0.844 1.277 1.00 0.00 H new ATOM 1429 N ARG A 96 -4.979 4.947 3.526 1.00 0.00 N ATOM 1430 CA ARG A 96 -4.983 6.124 4.377 1.00 0.00 C ATOM 1431 C ARG A 96 -4.734 7.383 3.544 1.00 0.00 C ATOM 1432 O ARG A 96 -5.494 8.347 3.626 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.913 6.021 5.466 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.530 5.611 6.804 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.459 5.508 7.893 1.00 0.00 C ATOM 1436 NE ARG A 96 -4.091 5.206 9.197 1.00 0.00 N ATOM 1437 CZ ARG A 96 -3.409 5.009 10.334 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -2.071 5.080 10.334 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -4.066 4.739 11.470 1.00 0.00 N ATOM 0 H ARG A 96 -4.273 4.250 3.765 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.962 6.186 4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.158 5.292 5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.406 6.980 5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.285 6.340 7.099 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.037 4.652 6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.742 4.727 7.637 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.902 6.443 7.957 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.108 5.144 9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.571 5.284 9.469 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.552 4.930 11.199 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.084 4.683 11.469 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.548 4.589 12.336 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.666 7.333 2.761 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.307 8.457 1.913 1.00 0.00 C ATOM 1455 C LYS A 97 -4.429 8.708 0.903 1.00 0.00 C ATOM 1456 O LYS A 97 -4.845 9.848 0.702 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.939 8.227 1.268 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.873 7.948 2.329 1.00 0.00 C ATOM 1459 CD LYS A 97 0.479 7.642 1.681 1.00 0.00 C ATOM 1460 CE LYS A 97 1.585 7.557 2.734 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.979 8.912 3.182 1.00 0.00 N ATOM 0 H LYS A 97 -3.038 6.532 2.696 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.204 9.365 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.996 7.387 0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.656 9.103 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.777 8.810 2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.183 7.106 2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.420 6.701 1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.722 8.418 0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.240 6.972 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.450 7.038 2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.900 8.865 3.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.051 9.543 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.263 9.282 3.840 1.00 0.00 H new ATOM 1475 N LEU A 98 -4.886 7.624 0.294 1.00 0.00 N ATOM 1476 CA LEU A 98 -5.952 7.711 -0.690 1.00 0.00 C ATOM 1477 C LEU A 98 -7.140 8.460 -0.084 1.00 0.00 C ATOM 1478 O LEU A 98 -7.554 9.497 -0.601 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.307 6.321 -1.221 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.242 5.639 -2.082 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.771 4.333 -2.676 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.718 6.589 -3.161 1.00 0.00 C ATOM 0 H LEU A 98 -4.538 6.680 0.463 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.623 8.283 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.527 5.675 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.223 6.401 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.398 5.383 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.994 3.869 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.055 3.656 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.641 4.542 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.962 6.079 -3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.542 6.899 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.276 7.467 -2.690 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.655 7.907 1.004 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.787 8.509 1.686 1.00 0.00 C ATOM 1496 C ARG A 99 -8.488 9.972 2.021 1.00 0.00 C ATOM 1497 O ARG A 99 -9.320 10.848 1.789 1.00 0.00 O ATOM 1498 CB ARG A 99 -9.118 7.755 2.976 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.831 6.436 2.673 1.00 0.00 C ATOM 1500 CD ARG A 99 -10.295 5.754 3.962 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.806 4.398 3.661 1.00 0.00 N ATOM 1502 CZ ARG A 99 -11.647 3.720 4.454 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -12.077 4.267 5.599 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -12.059 2.495 4.101 1.00 0.00 N ATOM 0 H ARG A 99 -7.309 7.048 1.430 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.645 8.454 1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.201 7.558 3.531 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.749 8.376 3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.689 6.622 2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.160 5.773 2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.467 5.691 4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.075 6.349 4.437 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.499 3.952 2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.764 5.200 5.867 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.717 3.750 6.202 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.733 2.079 3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.699 1.979 4.704 1.00 0.00 H new ATOM 1518 N GLY A 100 -7.299 10.191 2.562 1.00 0.00 N ATOM 1519 CA GLY A 100 -6.880 11.532 2.931 1.00 0.00 C ATOM 1520 C GLY A 100 -6.765 12.430 1.697 1.00 0.00 C ATOM 1521 O GLY A 100 -7.707 13.141 1.352 1.00 0.00 O ATOM 0 H GLY A 100 -6.612 9.462 2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.596 11.961 3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.919 11.488 3.444 1.00 0.00 H new ATOM 1525 N ASP A 101 -5.601 12.367 1.066 1.00 0.00 N ATOM 1526 CA ASP A 101 -5.351 13.165 -0.122 1.00 0.00 C ATOM 1527 C ASP A 101 -6.587 13.133 -1.023 1.00 0.00 C ATOM 1528 O ASP A 101 -7.034 12.063 -1.433 1.00 0.00 O ATOM 1529 CB ASP A 101 -4.170 12.608 -0.921 1.00 0.00 C ATOM 1530 CG ASP A 101 -3.664 13.516 -2.044 1.00 0.00 C ATOM 1531 OD1 ASP A 101 -3.454 14.713 -1.754 1.00 0.00 O ATOM 1532 OD2 ASP A 101 -3.498 12.991 -3.166 1.00 0.00 O ATOM 0 H ASP A 101 -4.822 11.776 1.355 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.124 14.182 0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.347 12.411 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.462 11.650 -1.352 1.00 0.00 H new ATOM 1537 N ASP A 102 -7.105 14.320 -1.304 1.00 0.00 N ATOM 1538 CA ASP A 102 -8.282 14.442 -2.149 1.00 0.00 C ATOM 1539 C ASP A 102 -8.733 15.903 -2.179 1.00 0.00 C ATOM 1540 O ASP A 102 -8.647 16.604 -1.172 1.00 0.00 O ATOM 1541 CB ASP A 102 -9.439 13.600 -1.606 1.00 0.00 C ATOM 1542 CG ASP A 102 -10.278 12.893 -2.671 1.00 0.00 C ATOM 1543 OD1 ASP A 102 -9.947 13.067 -3.864 1.00 0.00 O ATOM 1544 OD2 ASP A 102 -11.233 12.194 -2.269 1.00 0.00 O ATOM 0 H ASP A 102 -6.732 15.205 -0.962 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.019 14.092 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.035 12.850 -0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.093 14.244 -1.018 1.00 0.00 H new ATOM 1549 N GLU A 103 -9.205 16.320 -3.345 1.00 0.00 N ATOM 1550 CA GLU A 103 -9.670 17.685 -3.519 1.00 0.00 C ATOM 1551 C GLU A 103 -11.078 17.844 -2.941 1.00 0.00 C ATOM 1552 O GLU A 103 -11.745 16.855 -2.641 1.00 0.00 O ATOM 1553 CB GLU A 103 -9.634 18.092 -4.994 1.00 0.00 C ATOM 1554 CG GLU A 103 -10.634 17.275 -5.813 1.00 0.00 C ATOM 1555 CD GLU A 103 -10.929 17.953 -7.153 1.00 0.00 C ATOM 1556 OE1 GLU A 103 -10.036 17.897 -8.026 1.00 0.00 O ATOM 1557 OE2 GLU A 103 -12.041 18.511 -7.273 1.00 0.00 O ATOM 0 H GLU A 103 -9.275 15.736 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.998 18.349 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.863 19.154 -5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.629 17.947 -5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.236 16.275 -5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.560 17.156 -5.250 1.00 0.00 H new ATOM 1564 N GLU A 104 -11.488 19.096 -2.803 1.00 0.00 N ATOM 1565 CA GLU A 104 -12.804 19.397 -2.266 1.00 0.00 C ATOM 1566 C GLU A 104 -13.841 18.419 -2.822 1.00 0.00 C ATOM 1567 O GLU A 104 -14.491 17.700 -2.064 1.00 0.00 O ATOM 1568 CB GLU A 104 -13.200 20.844 -2.565 1.00 0.00 C ATOM 1569 CG GLU A 104 -12.947 21.744 -1.353 1.00 0.00 C ATOM 1570 CD GLU A 104 -14.188 21.826 -0.462 1.00 0.00 C ATOM 1571 OE1 GLU A 104 -14.779 20.754 -0.212 1.00 0.00 O ATOM 1572 OE2 GLU A 104 -14.518 22.960 -0.053 1.00 0.00 O ATOM 0 H GLU A 104 -10.932 19.914 -3.054 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.768 19.281 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.632 21.211 -3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -14.254 20.887 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.107 21.357 -0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.670 22.743 -1.689 1.00 0.00 H new ATOM 1579 N SER A 105 -13.964 18.423 -4.141 1.00 0.00 N ATOM 1580 CA SER A 105 -14.910 17.545 -4.807 1.00 0.00 C ATOM 1581 C SER A 105 -16.336 17.883 -4.368 1.00 0.00 C ATOM 1582 O SER A 105 -16.885 17.236 -3.477 1.00 0.00 O ATOM 1583 CB SER A 105 -14.599 16.076 -4.515 1.00 0.00 C ATOM 1584 OG SER A 105 -15.498 15.196 -5.184 1.00 0.00 O ATOM 0 H SER A 105 -13.424 19.021 -4.766 1.00 0.00 H new ATOM 0 HA SER A 105 -14.821 17.700 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.577 15.854 -4.823 1.00 0.00 H new ATOM 0 HB3 SER A 105 -14.653 15.901 -3.441 1.00 0.00 H new ATOM 0 HG SER A 105 -15.265 14.268 -4.973 1.00 0.00 H new ATOM 1590 N GLY A 106 -16.896 18.895 -5.014 1.00 0.00 N ATOM 1591 CA GLY A 106 -18.248 19.327 -4.701 1.00 0.00 C ATOM 1592 C GLY A 106 -18.258 20.265 -3.492 1.00 0.00 C ATOM 1593 O GLY A 106 -17.281 20.968 -3.239 1.00 0.00 O ATOM 0 H GLY A 106 -16.438 19.429 -5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -18.680 19.835 -5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -18.873 18.458 -4.497 1.00 0.00 H new ATOM 1597 N PRO A 107 -19.403 20.246 -2.759 1.00 0.00 N ATOM 1598 CA PRO A 107 -19.553 21.086 -1.583 1.00 0.00 C ATOM 1599 C PRO A 107 -18.749 20.530 -0.406 1.00 0.00 C ATOM 1600 O PRO A 107 -18.129 21.287 0.339 1.00 0.00 O ATOM 1601 CB PRO A 107 -21.049 21.124 -1.316 1.00 0.00 C ATOM 1602 CG PRO A 107 -21.637 19.938 -2.063 1.00 0.00 C ATOM 1603 CD PRO A 107 -20.581 19.426 -3.029 1.00 0.00 C ATOM 0 HA PRO A 107 -19.163 22.093 -1.732 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -21.257 21.055 -0.248 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -21.484 22.060 -1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -21.928 19.153 -1.365 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -22.536 20.234 -2.603 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -20.374 18.369 -2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -20.907 19.530 -4.064 1.00 0.00 H new ATOM 1611 N SER A 108 -18.786 19.212 -0.275 1.00 0.00 N ATOM 1612 CA SER A 108 -18.068 18.547 0.799 1.00 0.00 C ATOM 1613 C SER A 108 -17.788 17.092 0.417 1.00 0.00 C ATOM 1614 O SER A 108 -18.441 16.542 -0.468 1.00 0.00 O ATOM 1615 CB SER A 108 -18.856 18.610 2.109 1.00 0.00 C ATOM 1616 OG SER A 108 -18.056 19.081 3.190 1.00 0.00 O ATOM 0 H SER A 108 -19.302 18.587 -0.895 1.00 0.00 H new ATOM 0 HA SER A 108 -17.121 19.065 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 108 -19.718 19.266 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 108 -19.242 17.619 2.348 1.00 0.00 H new ATOM 0 HG SER A 108 -18.595 19.109 4.008 1.00 0.00 H new ATOM 1622 N SER A 109 -16.816 16.510 1.105 1.00 0.00 N ATOM 1623 CA SER A 109 -16.442 15.130 0.850 1.00 0.00 C ATOM 1624 C SER A 109 -16.598 14.300 2.126 1.00 0.00 C ATOM 1625 O SER A 109 -16.289 14.772 3.219 1.00 0.00 O ATOM 1626 CB SER A 109 -15.006 15.036 0.328 1.00 0.00 C ATOM 1627 OG SER A 109 -14.909 14.198 -0.820 1.00 0.00 O ATOM 0 H SER A 109 -16.277 16.970 1.839 1.00 0.00 H new ATOM 0 HA SER A 109 -17.106 14.732 0.083 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.644 16.034 0.080 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.359 14.649 1.115 1.00 0.00 H new ATOM 0 HG SER A 109 -13.978 14.165 -1.123 1.00 0.00 H new ATOM 1633 N GLY A 110 -17.077 13.079 1.944 1.00 0.00 N ATOM 1634 CA GLY A 110 -17.279 12.179 3.068 1.00 0.00 C ATOM 1635 C GLY A 110 -15.959 11.535 3.497 1.00 0.00 C ATOM 1636 O GLY A 110 -15.690 11.399 4.690 1.00 0.00 O ATOM 0 H GLY A 110 -17.331 12.691 1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -17.709 12.728 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -17.994 11.404 2.794 1.00 0.00 H new TER 1640 GLY A 110