USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 821 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 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= -2.82 (180deg=-5.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 59:sc= -5.67! USER MOD Single : A 53 SER OG : rot 180:sc= -4.88! USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.819 USER MOD Single : A 59 GLN : amide:sc= -0.749 K(o=-0.75,f=-5.4!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 142:sc= -0.0855 (180deg=-0.854) USER MOD Single : A 69 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.73) USER MOD Single : A 81 ASN : amide:sc= -0.0336 X(o=-0.034,f=-0.092) USER MOD Single : A 82 ASN : amide:sc= -0.022 X(o=-0.022,f=-0.22) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 88 SER OG : rot 70:sc= -1.85! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -178:sc= -15.7! (180deg=-16.4!) USER MOD Single : A 93 GLN : amide:sc= -6.58! C(o=-6.6!,f=-16!) USER MOD Single : A 95 TYR OH : rot -78:sc= 0.242 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS :FLIP no HD1:sc= -3.25 F(o=-5.6!,f=-3.3) USER MOD Single : A 99 HIS : no HE2:sc= -1.7! C(o=-1.7!,f=-6.5!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 15:sc= -9.58! USER MOD Single : A 110 SER OG : rot -131:sc= 0.0316 USER MOD Single : A 113 SER OG : rot 68:sc= 1.11 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -6.162 16.674 8.504 1.00 0.00 N ATOM 2 CA GLY A 18 -5.586 16.570 7.134 1.00 0.00 C ATOM 3 C GLY A 18 -4.887 17.882 6.771 1.00 0.00 C ATOM 4 O GLY A 18 -3.738 17.897 6.379 1.00 0.00 O ATOM 0 HA2 GLY A 18 -4.877 15.743 7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.374 16.354 6.413 1.00 0.00 H new ATOM 8 N GLU A 19 -5.574 18.984 6.902 1.00 0.00 N ATOM 9 CA GLU A 19 -4.947 20.295 6.566 1.00 0.00 C ATOM 10 C GLU A 19 -3.564 20.398 7.215 1.00 0.00 C ATOM 11 O GLU A 19 -2.656 21.000 6.675 1.00 0.00 O ATOM 12 CB GLU A 19 -5.892 21.346 7.148 1.00 0.00 C ATOM 13 CG GLU A 19 -6.651 22.035 6.013 1.00 0.00 C ATOM 14 CD GLU A 19 -8.147 22.049 6.333 1.00 0.00 C ATOM 15 OE1 GLU A 19 -8.498 21.685 7.443 1.00 0.00 O ATOM 16 OE2 GLU A 19 -8.916 22.423 5.463 1.00 0.00 O ATOM 0 H GLU A 19 -6.540 19.034 7.226 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.806 20.424 5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.594 20.877 7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.327 22.081 7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.287 23.054 5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.474 21.512 5.073 1.00 0.00 H new ATOM 23 N LYS A 20 -3.396 19.814 8.369 1.00 0.00 N ATOM 24 CA LYS A 20 -2.069 19.879 9.052 1.00 0.00 C ATOM 25 C LYS A 20 -1.100 18.874 8.417 1.00 0.00 C ATOM 26 O LYS A 20 0.073 19.148 8.256 1.00 0.00 O ATOM 27 CB LYS A 20 -2.336 19.515 10.516 1.00 0.00 C ATOM 28 CG LYS A 20 -1.820 20.636 11.420 1.00 0.00 C ATOM 29 CD LYS A 20 -2.982 21.552 11.809 1.00 0.00 C ATOM 30 CE LYS A 20 -2.650 22.270 13.120 1.00 0.00 C ATOM 31 NZ LYS A 20 -3.925 22.273 13.889 1.00 0.00 N ATOM 0 H LYS A 20 -4.117 19.295 8.870 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.615 20.866 8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.404 19.366 10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.842 18.576 10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.360 20.214 12.314 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.049 21.208 10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.165 22.281 11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.896 20.969 11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.861 21.752 13.665 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.297 23.285 12.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.779 22.749 14.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.655 22.779 13.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.233 21.294 14.055 1.00 0.00 H new ATOM 45 N ILE A 21 -1.580 17.716 8.055 1.00 0.00 N ATOM 46 CA ILE A 21 -0.684 16.700 7.431 1.00 0.00 C ATOM 47 C ILE A 21 -0.079 17.255 6.140 1.00 0.00 C ATOM 48 O ILE A 21 0.927 16.774 5.657 1.00 0.00 O ATOM 49 CB ILE A 21 -1.590 15.505 7.125 1.00 0.00 C ATOM 50 CG1 ILE A 21 -1.957 14.788 8.428 1.00 0.00 C ATOM 51 CG2 ILE A 21 -0.856 14.532 6.201 1.00 0.00 C ATOM 52 CD1 ILE A 21 -0.690 14.522 9.242 1.00 0.00 C ATOM 0 H ILE A 21 -2.553 17.429 8.164 1.00 0.00 H new ATOM 0 HA ILE A 21 0.146 16.426 8.082 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.499 15.858 6.638 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.652 15.397 9.007 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.464 13.848 8.208 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.501 13.681 5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.597 15.039 5.271 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.054 14.182 6.689 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.953 14.012 10.169 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.011 13.896 8.664 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.202 15.468 9.475 1.00 0.00 H new ATOM 64 N ARG A 22 -0.685 18.265 5.577 1.00 0.00 N ATOM 65 CA ARG A 22 -0.143 18.849 4.318 1.00 0.00 C ATOM 66 C ARG A 22 0.865 19.951 4.640 1.00 0.00 C ATOM 67 O ARG A 22 1.928 20.019 4.056 1.00 0.00 O ATOM 68 CB ARG A 22 -1.362 19.415 3.592 1.00 0.00 C ATOM 69 CG ARG A 22 -2.015 18.309 2.753 1.00 0.00 C ATOM 70 CD ARG A 22 -2.090 17.014 3.572 1.00 0.00 C ATOM 71 NE ARG A 22 -2.542 15.975 2.605 1.00 0.00 N ATOM 72 CZ ARG A 22 -3.815 15.723 2.467 1.00 0.00 C ATOM 73 NH1 ARG A 22 -4.482 15.174 3.445 1.00 0.00 N ATOM 74 NH2 ARG A 22 -4.421 16.017 1.349 1.00 0.00 N ATOM 0 H ARG A 22 -1.531 18.710 5.934 1.00 0.00 H new ATOM 0 HA ARG A 22 0.384 18.115 3.709 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.078 19.810 4.313 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.064 20.245 2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.015 18.615 2.446 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.439 18.142 1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.120 16.760 4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.789 17.112 4.403 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.857 15.461 2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.008 14.942 4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.477 14.977 3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.900 16.444 0.583 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.416 15.820 1.241 1.00 0.00 H new ATOM 86 N LYS A 23 0.552 20.806 5.573 1.00 0.00 N ATOM 87 CA LYS A 23 1.514 21.885 5.930 1.00 0.00 C ATOM 88 C LYS A 23 2.870 21.259 6.260 1.00 0.00 C ATOM 89 O LYS A 23 3.906 21.729 5.834 1.00 0.00 O ATOM 90 CB LYS A 23 0.918 22.561 7.165 1.00 0.00 C ATOM 91 CG LYS A 23 0.784 24.064 6.914 1.00 0.00 C ATOM 92 CD LYS A 23 0.621 24.793 8.249 1.00 0.00 C ATOM 93 CE LYS A 23 1.081 26.245 8.097 1.00 0.00 C ATOM 94 NZ LYS A 23 0.853 26.862 9.434 1.00 0.00 N ATOM 0 H LYS A 23 -0.321 20.805 6.100 1.00 0.00 H new ATOM 0 HA LYS A 23 1.668 22.599 5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.058 22.132 7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.554 22.382 8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.665 24.436 6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.075 24.261 6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.421 24.762 8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.206 24.294 9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.132 26.299 7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.513 26.760 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.145 27.860 9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.157 26.802 9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.411 26.355 10.150 1.00 0.00 H new ATOM 108 N LYS A 24 2.862 20.191 7.012 1.00 0.00 N ATOM 109 CA LYS A 24 4.138 19.516 7.371 1.00 0.00 C ATOM 110 C LYS A 24 4.536 18.531 6.270 1.00 0.00 C ATOM 111 O LYS A 24 5.662 18.517 5.812 1.00 0.00 O ATOM 112 CB LYS A 24 3.852 18.763 8.675 1.00 0.00 C ATOM 113 CG LYS A 24 2.958 19.612 9.581 1.00 0.00 C ATOM 114 CD LYS A 24 3.237 19.266 11.045 1.00 0.00 C ATOM 115 CE LYS A 24 4.500 19.994 11.510 1.00 0.00 C ATOM 116 NZ LYS A 24 4.279 20.261 12.958 1.00 0.00 N ATOM 0 H LYS A 24 2.022 19.757 7.394 1.00 0.00 H new ATOM 0 HA LYS A 24 4.956 20.227 7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.365 17.812 8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.787 18.533 9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.145 20.671 9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.909 19.431 9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.389 19.554 11.666 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.363 18.189 11.158 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.389 19.383 11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.648 20.921 10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.104 20.759 13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.430 20.850 13.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.148 19.360 13.461 1.00 0.00 H new ATOM 130 N TYR A 25 3.620 17.701 5.844 1.00 0.00 N ATOM 131 CA TYR A 25 3.947 16.713 4.779 1.00 0.00 C ATOM 132 C TYR A 25 3.128 17.006 3.518 1.00 0.00 C ATOM 133 O TYR A 25 2.327 16.195 3.095 1.00 0.00 O ATOM 134 CB TYR A 25 3.555 15.350 5.362 1.00 0.00 C ATOM 135 CG TYR A 25 3.868 15.300 6.842 1.00 0.00 C ATOM 136 CD1 TYR A 25 5.196 15.359 7.281 1.00 0.00 C ATOM 137 CD2 TYR A 25 2.827 15.195 7.772 1.00 0.00 C ATOM 138 CE1 TYR A 25 5.483 15.313 8.650 1.00 0.00 C ATOM 139 CE2 TYR A 25 3.115 15.148 9.142 1.00 0.00 C ATOM 140 CZ TYR A 25 4.442 15.207 9.581 1.00 0.00 C ATOM 141 OH TYR A 25 4.725 15.160 10.931 1.00 0.00 O ATOM 0 H TYR A 25 2.661 17.666 6.189 1.00 0.00 H new ATOM 0 HA TYR A 25 4.999 16.749 4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.492 15.171 5.202 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.093 14.557 4.843 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.999 15.440 6.563 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.802 15.150 7.433 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.507 15.359 8.989 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.312 15.066 9.860 1.00 0.00 H new ATOM 0 HH TYR A 25 3.890 15.087 11.438 1.00 0.00 H new ATOM 151 N PRO A 26 3.355 18.165 2.958 1.00 0.00 N ATOM 152 CA PRO A 26 2.620 18.577 1.736 1.00 0.00 C ATOM 153 C PRO A 26 3.070 17.747 0.534 1.00 0.00 C ATOM 154 O PRO A 26 2.379 17.653 -0.462 1.00 0.00 O ATOM 155 CB PRO A 26 3.004 20.045 1.565 1.00 0.00 C ATOM 156 CG PRO A 26 4.318 20.180 2.264 1.00 0.00 C ATOM 157 CD PRO A 26 4.312 19.187 3.397 1.00 0.00 C ATOM 0 HA PRO A 26 1.543 18.431 1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.087 20.312 0.511 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.254 20.704 2.002 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.142 19.980 1.579 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.454 21.194 2.639 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.302 18.763 3.563 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.002 19.650 4.334 1.00 0.00 H new ATOM 165 N ASP A 27 4.220 17.142 0.617 1.00 0.00 N ATOM 166 CA ASP A 27 4.710 16.317 -0.522 1.00 0.00 C ATOM 167 C ASP A 27 4.720 14.837 -0.131 1.00 0.00 C ATOM 168 O ASP A 27 5.466 14.048 -0.676 1.00 0.00 O ATOM 169 CB ASP A 27 6.131 16.813 -0.789 1.00 0.00 C ATOM 170 CG ASP A 27 6.765 15.971 -1.898 1.00 0.00 C ATOM 171 OD1 ASP A 27 6.175 15.885 -2.962 1.00 0.00 O ATOM 172 OD2 ASP A 27 7.831 15.425 -1.664 1.00 0.00 O ATOM 0 H ASP A 27 4.843 17.182 1.424 1.00 0.00 H new ATOM 0 HA ASP A 27 4.077 16.409 -1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.112 17.863 -1.081 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.728 16.745 0.120 1.00 0.00 H new ATOM 177 N ARG A 28 3.904 14.453 0.813 1.00 0.00 N ATOM 178 CA ARG A 28 3.882 13.022 1.233 1.00 0.00 C ATOM 179 C ARG A 28 2.501 12.406 0.991 1.00 0.00 C ATOM 180 O ARG A 28 1.592 13.059 0.518 1.00 0.00 O ATOM 181 CB ARG A 28 4.203 13.044 2.726 1.00 0.00 C ATOM 182 CG ARG A 28 5.721 13.063 2.921 1.00 0.00 C ATOM 183 CD ARG A 28 6.226 14.506 2.865 1.00 0.00 C ATOM 184 NE ARG A 28 7.651 14.430 3.295 1.00 0.00 N ATOM 185 CZ ARG A 28 8.033 15.024 4.392 1.00 0.00 C ATOM 186 NH1 ARG A 28 7.907 14.416 5.540 1.00 0.00 N ATOM 187 NH2 ARG A 28 8.540 16.226 4.341 1.00 0.00 N ATOM 0 H ARG A 28 3.255 15.064 1.309 1.00 0.00 H new ATOM 0 HA ARG A 28 4.594 12.421 0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.755 13.921 3.192 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.774 12.169 3.214 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.981 12.613 3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.205 12.467 2.147 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.138 14.917 1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.648 15.153 3.525 1.00 0.00 H new ATOM 0 HE ARG A 28 8.327 13.914 2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.510 13.477 5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.205 14.880 6.398 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.637 16.701 3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.839 16.690 5.199 1.00 0.00 H new ATOM 199 N VAL A 29 2.341 11.151 1.312 1.00 0.00 N ATOM 200 CA VAL A 29 1.025 10.484 1.104 1.00 0.00 C ATOM 201 C VAL A 29 0.798 9.413 2.179 1.00 0.00 C ATOM 202 O VAL A 29 1.534 8.442 2.252 1.00 0.00 O ATOM 203 CB VAL A 29 1.118 9.844 -0.284 1.00 0.00 C ATOM 204 CG1 VAL A 29 0.031 8.775 -0.436 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.919 10.918 -1.355 1.00 0.00 C ATOM 0 H VAL A 29 3.068 10.557 1.711 1.00 0.00 H new ATOM 0 HA VAL A 29 0.192 11.183 1.173 1.00 0.00 H new ATOM 0 HB VAL A 29 2.099 9.384 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.101 8.323 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.167 8.007 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.950 9.234 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.985 10.463 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.062 11.377 -1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.692 11.680 -1.254 1.00 0.00 H new ATOM 215 N PRO A 30 -0.224 9.625 2.971 1.00 0.00 N ATOM 216 CA PRO A 30 -0.572 8.664 4.043 1.00 0.00 C ATOM 217 C PRO A 30 -1.333 7.470 3.451 1.00 0.00 C ATOM 218 O PRO A 30 -2.544 7.488 3.329 1.00 0.00 O ATOM 219 CB PRO A 30 -1.477 9.472 4.967 1.00 0.00 C ATOM 220 CG PRO A 30 -2.072 10.542 4.104 1.00 0.00 C ATOM 221 CD PRO A 30 -1.134 10.774 2.945 1.00 0.00 C ATOM 0 HA PRO A 30 0.299 8.256 4.556 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.253 8.844 5.405 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.911 9.903 5.793 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.056 10.240 3.745 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.209 11.461 4.674 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.676 10.829 2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.591 11.713 3.056 1.00 0.00 H new ATOM 229 N VAL A 31 -0.632 6.442 3.066 1.00 0.00 N ATOM 230 CA VAL A 31 -1.307 5.261 2.472 1.00 0.00 C ATOM 231 C VAL A 31 -1.718 4.268 3.567 1.00 0.00 C ATOM 232 O VAL A 31 -0.971 4.001 4.488 1.00 0.00 O ATOM 233 CB VAL A 31 -0.267 4.637 1.521 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.648 5.720 0.939 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.588 3.597 2.258 1.00 0.00 C ATOM 0 H VAL A 31 0.383 6.370 3.138 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.221 5.533 1.945 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.808 4.147 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.376 5.261 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.050 6.442 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.170 6.229 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.315 3.169 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.111 4.076 3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.054 2.806 2.645 1.00 0.00 H new ATOM 245 N ILE A 32 -2.888 3.704 3.459 1.00 0.00 N ATOM 246 CA ILE A 32 -3.332 2.712 4.478 1.00 0.00 C ATOM 247 C ILE A 32 -3.026 1.304 3.965 1.00 0.00 C ATOM 248 O ILE A 32 -2.956 1.075 2.774 1.00 0.00 O ATOM 249 CB ILE A 32 -4.838 2.928 4.624 1.00 0.00 C ATOM 250 CG1 ILE A 32 -5.098 4.326 5.188 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.415 1.879 5.578 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.247 4.538 6.441 1.00 0.00 C ATOM 0 H ILE A 32 -3.556 3.887 2.710 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.826 2.830 5.436 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.315 2.833 3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.858 5.082 4.440 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.155 4.441 5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.489 2.033 5.682 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.229 0.882 5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.939 1.974 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.433 5.534 6.843 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.509 3.790 7.190 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.192 4.441 6.185 1.00 0.00 H new ATOM 264 N VAL A 33 -2.822 0.362 4.842 1.00 0.00 N ATOM 265 CA VAL A 33 -2.499 -1.012 4.376 1.00 0.00 C ATOM 266 C VAL A 33 -3.331 -2.058 5.124 1.00 0.00 C ATOM 267 O VAL A 33 -3.573 -1.955 6.310 1.00 0.00 O ATOM 268 CB VAL A 33 -1.001 -1.168 4.668 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.639 -2.643 4.875 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.209 -0.616 3.481 1.00 0.00 C ATOM 0 H VAL A 33 -2.865 0.483 5.854 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.729 -1.161 3.321 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.757 -0.620 5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.428 -2.730 5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.205 -3.042 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.882 -3.207 3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.858 -0.721 3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.470 -1.171 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.451 0.438 3.341 1.00 0.00 H new ATOM 280 N GLU A 34 -3.753 -3.070 4.421 1.00 0.00 N ATOM 281 CA GLU A 34 -4.557 -4.154 5.044 1.00 0.00 C ATOM 282 C GLU A 34 -4.426 -5.420 4.194 1.00 0.00 C ATOM 283 O GLU A 34 -3.578 -5.508 3.328 1.00 0.00 O ATOM 284 CB GLU A 34 -5.997 -3.641 5.036 1.00 0.00 C ATOM 285 CG GLU A 34 -6.743 -4.199 6.250 1.00 0.00 C ATOM 286 CD GLU A 34 -7.808 -3.198 6.700 1.00 0.00 C ATOM 287 OE1 GLU A 34 -8.594 -2.784 5.865 1.00 0.00 O ATOM 288 OE2 GLU A 34 -7.819 -2.863 7.873 1.00 0.00 O ATOM 0 H GLU A 34 -3.571 -3.193 3.425 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.231 -4.399 6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.006 -2.551 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.498 -3.945 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.208 -5.152 5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.043 -4.391 7.063 1.00 0.00 H new ATOM 295 N LYS A 35 -5.255 -6.399 4.420 1.00 0.00 N ATOM 296 CA LYS A 35 -5.158 -7.640 3.603 1.00 0.00 C ATOM 297 C LYS A 35 -6.498 -7.949 2.938 1.00 0.00 C ATOM 298 O LYS A 35 -7.538 -7.479 3.354 1.00 0.00 O ATOM 299 CB LYS A 35 -4.793 -8.750 4.585 1.00 0.00 C ATOM 300 CG LYS A 35 -3.653 -9.589 4.004 1.00 0.00 C ATOM 301 CD LYS A 35 -2.389 -8.733 3.902 1.00 0.00 C ATOM 302 CE LYS A 35 -2.009 -8.221 5.294 1.00 0.00 C ATOM 303 NZ LYS A 35 -1.921 -9.443 6.141 1.00 0.00 N ATOM 0 H LYS A 35 -5.989 -6.395 5.128 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.419 -7.539 2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.493 -8.321 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.661 -9.380 4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.467 -10.457 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.930 -9.966 3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.572 -9.320 3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.558 -7.894 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.060 -7.686 5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.757 -7.527 5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.185 -9.312 6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.837 -9.610 6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.680 -10.261 5.546 1.00 0.00 H new ATOM 317 N ALA A 36 -6.474 -8.752 1.915 1.00 0.00 N ATOM 318 CA ALA A 36 -7.741 -9.119 1.221 1.00 0.00 C ATOM 319 C ALA A 36 -8.659 -9.848 2.210 1.00 0.00 C ATOM 320 O ALA A 36 -8.395 -9.845 3.396 1.00 0.00 O ATOM 321 CB ALA A 36 -7.303 -10.044 0.083 1.00 0.00 C ATOM 0 H ALA A 36 -5.630 -9.173 1.526 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.295 -8.260 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.178 -10.364 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.619 -9.510 -0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.800 -10.918 0.497 1.00 0.00 H new ATOM 327 N PRO A 37 -9.706 -10.456 1.710 1.00 0.00 N ATOM 328 CA PRO A 37 -10.633 -11.181 2.608 1.00 0.00 C ATOM 329 C PRO A 37 -9.963 -12.459 3.117 1.00 0.00 C ATOM 330 O PRO A 37 -9.514 -13.273 2.343 1.00 0.00 O ATOM 331 CB PRO A 37 -11.836 -11.489 1.721 1.00 0.00 C ATOM 332 CG PRO A 37 -11.302 -11.480 0.325 1.00 0.00 C ATOM 333 CD PRO A 37 -10.128 -10.533 0.303 1.00 0.00 C ATOM 0 HA PRO A 37 -10.919 -10.614 3.494 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.272 -12.456 1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.621 -10.743 1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.994 -12.481 0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.070 -11.158 -0.379 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.326 -10.906 -0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.412 -9.554 -0.083 1.00 0.00 H new ATOM 341 N LYS A 38 -9.879 -12.610 4.416 1.00 0.00 N ATOM 342 CA LYS A 38 -9.237 -13.809 5.029 1.00 0.00 C ATOM 343 C LYS A 38 -7.977 -14.197 4.256 1.00 0.00 C ATOM 344 O LYS A 38 -7.780 -15.339 3.892 1.00 0.00 O ATOM 345 CB LYS A 38 -10.300 -14.909 5.010 1.00 0.00 C ATOM 346 CG LYS A 38 -10.328 -15.597 3.653 1.00 0.00 C ATOM 347 CD LYS A 38 -11.766 -15.657 3.137 1.00 0.00 C ATOM 348 CE LYS A 38 -11.766 -16.082 1.667 1.00 0.00 C ATOM 349 NZ LYS A 38 -11.900 -17.565 1.695 1.00 0.00 N ATOM 0 H LYS A 38 -10.238 -11.935 5.091 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.906 -13.623 6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.090 -15.640 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.279 -14.482 5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.700 -15.055 2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.919 -16.604 3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.347 -16.363 3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.243 -14.683 3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.591 -15.621 1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.846 -15.778 1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.908 -17.931 0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.098 -17.976 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.788 -17.824 2.169 1.00 0.00 H new ATOM 363 N ALA A 39 -7.125 -13.246 4.008 1.00 0.00 N ATOM 364 CA ALA A 39 -5.867 -13.536 3.261 1.00 0.00 C ATOM 365 C ALA A 39 -4.963 -14.453 4.088 1.00 0.00 C ATOM 366 O ALA A 39 -5.308 -14.859 5.180 1.00 0.00 O ATOM 367 CB ALA A 39 -5.207 -12.171 3.056 1.00 0.00 C ATOM 0 H ALA A 39 -7.244 -12.273 4.291 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.053 -14.044 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.271 -12.297 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.875 -11.526 2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.004 -11.716 4.025 1.00 0.00 H new ATOM 373 N ARG A 40 -3.809 -14.787 3.577 1.00 0.00 N ATOM 374 CA ARG A 40 -2.894 -15.684 4.340 1.00 0.00 C ATOM 375 C ARG A 40 -1.431 -15.383 3.998 1.00 0.00 C ATOM 376 O ARG A 40 -0.608 -16.276 3.937 1.00 0.00 O ATOM 377 CB ARG A 40 -3.263 -17.096 3.890 1.00 0.00 C ATOM 378 CG ARG A 40 -2.907 -17.265 2.413 1.00 0.00 C ATOM 379 CD ARG A 40 -2.133 -18.571 2.218 1.00 0.00 C ATOM 380 NE ARG A 40 -3.179 -19.624 2.105 1.00 0.00 N ATOM 381 CZ ARG A 40 -3.353 -20.252 0.974 1.00 0.00 C ATOM 382 NH1 ARG A 40 -2.334 -20.795 0.366 1.00 0.00 N ATOM 383 NH2 ARG A 40 -4.546 -20.339 0.453 1.00 0.00 N ATOM 0 H ARG A 40 -3.461 -14.479 2.669 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.998 -15.552 5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.730 -17.833 4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.328 -17.272 4.042 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.814 -17.274 1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.307 -16.421 2.074 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.513 -18.533 1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.467 -18.765 3.059 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.760 -19.855 2.911 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.402 -20.729 0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.470 -21.286 -0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.343 -19.916 0.929 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.682 -20.830 -0.431 1.00 0.00 H new ATOM 395 N ILE A 41 -1.094 -14.142 3.779 1.00 0.00 N ATOM 396 CA ILE A 41 0.323 -13.818 3.448 1.00 0.00 C ATOM 397 C ILE A 41 1.147 -13.651 4.732 1.00 0.00 C ATOM 398 O ILE A 41 0.637 -13.776 5.828 1.00 0.00 O ATOM 399 CB ILE A 41 0.299 -12.534 2.592 1.00 0.00 C ATOM 400 CG1 ILE A 41 -0.341 -11.345 3.329 1.00 0.00 C ATOM 401 CG2 ILE A 41 -0.498 -12.803 1.316 1.00 0.00 C ATOM 402 CD1 ILE A 41 0.523 -10.926 4.512 1.00 0.00 C ATOM 0 H ILE A 41 -1.730 -13.346 3.814 1.00 0.00 H new ATOM 0 HA ILE A 41 0.800 -14.622 2.888 1.00 0.00 H new ATOM 0 HB ILE A 41 1.333 -12.270 2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.462 -10.506 2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.337 -11.618 3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.521 -11.901 0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.026 -13.610 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.517 -13.090 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.057 -10.084 5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.621 -11.762 5.205 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.510 -10.632 4.156 1.00 0.00 H new ATOM 414 N GLY A 42 2.422 -13.406 4.600 1.00 0.00 N ATOM 415 CA GLY A 42 3.298 -13.270 5.806 1.00 0.00 C ATOM 416 C GLY A 42 2.666 -12.337 6.840 1.00 0.00 C ATOM 417 O GLY A 42 1.591 -11.816 6.653 1.00 0.00 O ATOM 0 H GLY A 42 2.900 -13.293 3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.466 -14.251 6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.273 -12.883 5.510 1.00 0.00 H new ATOM 421 N ASP A 43 3.337 -12.127 7.939 1.00 0.00 N ATOM 422 CA ASP A 43 2.783 -11.229 8.994 1.00 0.00 C ATOM 423 C ASP A 43 2.937 -9.765 8.572 1.00 0.00 C ATOM 424 O ASP A 43 3.434 -9.468 7.503 1.00 0.00 O ATOM 425 CB ASP A 43 3.621 -11.519 10.241 1.00 0.00 C ATOM 426 CG ASP A 43 2.703 -11.615 11.461 1.00 0.00 C ATOM 427 OD1 ASP A 43 2.449 -10.588 12.070 1.00 0.00 O ATOM 428 OD2 ASP A 43 2.270 -12.714 11.768 1.00 0.00 O ATOM 0 H ASP A 43 4.246 -12.538 8.153 1.00 0.00 H new ATOM 0 HA ASP A 43 1.721 -11.401 9.169 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.172 -12.451 10.113 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.358 -10.730 10.388 1.00 0.00 H new ATOM 433 N LEU A 44 2.512 -8.848 9.397 1.00 0.00 N ATOM 434 CA LEU A 44 2.635 -7.406 9.033 1.00 0.00 C ATOM 435 C LEU A 44 3.138 -6.590 10.228 1.00 0.00 C ATOM 436 O LEU A 44 2.672 -6.744 11.339 1.00 0.00 O ATOM 437 CB LEU A 44 1.221 -6.967 8.655 1.00 0.00 C ATOM 438 CG LEU A 44 1.105 -6.861 7.135 1.00 0.00 C ATOM 439 CD1 LEU A 44 2.159 -5.884 6.609 1.00 0.00 C ATOM 440 CD2 LEU A 44 1.329 -8.238 6.506 1.00 0.00 C ATOM 0 H LEU A 44 2.086 -9.033 10.305 1.00 0.00 H new ATOM 0 HA LEU A 44 3.346 -7.253 8.221 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.493 -7.683 9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.993 -6.005 9.115 1.00 0.00 H new ATOM 0 HG LEU A 44 0.110 -6.500 6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.076 -5.808 5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.999 -4.902 7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.153 -6.245 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.246 -8.161 5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.323 -8.601 6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.578 -8.935 6.879 1.00 0.00 H new ATOM 452 N ASP A 45 4.082 -5.719 10.001 1.00 0.00 N ATOM 453 CA ASP A 45 4.613 -4.883 11.117 1.00 0.00 C ATOM 454 C ASP A 45 3.754 -3.626 11.288 1.00 0.00 C ATOM 455 O ASP A 45 3.522 -3.166 12.388 1.00 0.00 O ATOM 456 CB ASP A 45 6.033 -4.510 10.691 1.00 0.00 C ATOM 457 CG ASP A 45 6.848 -4.112 11.922 1.00 0.00 C ATOM 458 OD1 ASP A 45 6.367 -4.327 13.022 1.00 0.00 O ATOM 459 OD2 ASP A 45 7.941 -3.599 11.745 1.00 0.00 O ATOM 0 H ASP A 45 4.510 -5.549 9.091 1.00 0.00 H new ATOM 0 HA ASP A 45 4.600 -5.409 12.072 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.505 -5.353 10.186 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.005 -3.686 9.978 1.00 0.00 H new ATOM 464 N LYS A 46 3.285 -3.067 10.204 1.00 0.00 N ATOM 465 CA LYS A 46 2.443 -1.838 10.301 1.00 0.00 C ATOM 466 C LYS A 46 1.492 -1.752 9.102 1.00 0.00 C ATOM 467 O LYS A 46 1.764 -2.288 8.046 1.00 0.00 O ATOM 468 CB LYS A 46 3.437 -0.677 10.280 1.00 0.00 C ATOM 469 CG LYS A 46 3.875 -0.354 11.710 1.00 0.00 C ATOM 470 CD LYS A 46 5.164 -1.110 12.033 1.00 0.00 C ATOM 471 CE LYS A 46 6.280 -0.109 12.340 1.00 0.00 C ATOM 472 NZ LYS A 46 7.109 -0.067 11.103 1.00 0.00 N ATOM 0 H LYS A 46 3.448 -3.408 9.256 1.00 0.00 H new ATOM 0 HA LYS A 46 1.824 -1.830 11.198 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.304 -0.938 9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.979 0.200 9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.033 0.719 11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.091 -0.634 12.414 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.007 -1.769 12.887 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.449 -1.741 11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.874 0.874 12.577 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.870 -0.426 13.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.897 0.599 11.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.487 -1.016 10.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.523 0.245 10.303 1.00 0.00 H new ATOM 486 N LYS A 47 0.382 -1.081 9.252 1.00 0.00 N ATOM 487 CA LYS A 47 -0.575 -0.963 8.114 1.00 0.00 C ATOM 488 C LYS A 47 -0.727 0.504 7.715 1.00 0.00 C ATOM 489 O LYS A 47 -1.819 0.999 7.525 1.00 0.00 O ATOM 490 CB LYS A 47 -1.898 -1.519 8.640 1.00 0.00 C ATOM 491 CG LYS A 47 -1.982 -3.016 8.330 1.00 0.00 C ATOM 492 CD LYS A 47 -1.163 -3.798 9.359 1.00 0.00 C ATOM 493 CE LYS A 47 -2.045 -4.870 10.006 1.00 0.00 C ATOM 494 NZ LYS A 47 -1.535 -4.997 11.399 1.00 0.00 N ATOM 0 H LYS A 47 0.097 -0.610 10.111 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.237 -1.504 7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.972 -1.355 9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.734 -0.994 8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.021 -3.345 8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.606 -3.212 7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.302 -4.262 8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.776 -3.122 10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.095 -4.577 9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.973 -5.817 9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.090 -5.714 11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.535 -5.283 11.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.623 -4.082 11.886 1.00 0.00 H new ATOM 508 N LYS A 48 0.365 1.201 7.590 1.00 0.00 N ATOM 509 CA LYS A 48 0.294 2.637 7.199 1.00 0.00 C ATOM 510 C LYS A 48 1.671 3.124 6.749 1.00 0.00 C ATOM 511 O LYS A 48 2.577 3.268 7.545 1.00 0.00 O ATOM 512 CB LYS A 48 -0.146 3.373 8.465 1.00 0.00 C ATOM 513 CG LYS A 48 0.668 2.868 9.658 1.00 0.00 C ATOM 514 CD LYS A 48 0.306 3.678 10.903 1.00 0.00 C ATOM 515 CE LYS A 48 -0.394 2.772 11.918 1.00 0.00 C ATOM 516 NZ LYS A 48 -1.415 3.640 12.568 1.00 0.00 N ATOM 0 H LYS A 48 1.306 0.839 7.742 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.394 2.807 6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.003 4.447 8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.209 3.211 8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.466 1.810 9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.734 2.959 9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.205 4.108 11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.345 4.509 10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.858 1.915 11.429 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.312 2.378 12.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.938 3.089 13.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.944 4.443 13.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.077 3.995 11.849 1.00 0.00 H new ATOM 530 N TYR A 49 1.842 3.382 5.480 1.00 0.00 N ATOM 531 CA TYR A 49 3.170 3.861 5.006 1.00 0.00 C ATOM 532 C TYR A 49 3.092 5.338 4.631 1.00 0.00 C ATOM 533 O TYR A 49 2.141 5.793 4.026 1.00 0.00 O ATOM 534 CB TYR A 49 3.500 3.027 3.768 1.00 0.00 C ATOM 535 CG TYR A 49 3.704 1.581 4.155 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.625 0.812 4.609 1.00 0.00 C ATOM 537 CD2 TYR A 49 4.978 1.010 4.059 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.823 -0.526 4.970 1.00 0.00 C ATOM 539 CE2 TYR A 49 5.174 -0.329 4.418 1.00 0.00 C ATOM 540 CZ TYR A 49 4.097 -1.097 4.874 1.00 0.00 C ATOM 541 OH TYR A 49 4.290 -2.415 5.230 1.00 0.00 O ATOM 0 H TYR A 49 1.127 3.283 4.759 1.00 0.00 H new ATOM 0 HA TYR A 49 3.932 3.755 5.778 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.692 3.106 3.041 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.399 3.414 3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.641 1.251 4.681 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.810 1.602 3.708 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.992 -1.118 5.323 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.157 -0.769 4.343 1.00 0.00 H new ATOM 0 HH TYR A 49 3.717 -2.990 4.680 1.00 0.00 H new ATOM 551 N LEU A 50 4.100 6.083 4.971 1.00 0.00 N ATOM 552 CA LEU A 50 4.116 7.531 4.624 1.00 0.00 C ATOM 553 C LEU A 50 5.188 7.764 3.566 1.00 0.00 C ATOM 554 O LEU A 50 6.363 7.840 3.866 1.00 0.00 O ATOM 555 CB LEU A 50 4.470 8.254 5.925 1.00 0.00 C ATOM 556 CG LEU A 50 3.579 9.487 6.080 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.437 9.173 7.047 1.00 0.00 C ATOM 558 CD2 LEU A 50 4.408 10.649 6.632 1.00 0.00 C ATOM 0 H LEU A 50 4.921 5.752 5.478 1.00 0.00 H new ATOM 0 HA LEU A 50 3.167 7.887 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.334 7.585 6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.519 8.549 5.916 1.00 0.00 H new ATOM 0 HG LEU A 50 3.168 9.762 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.802 10.052 7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.846 8.345 6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.848 8.898 8.018 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.773 11.528 6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.819 10.374 7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.223 10.874 5.944 1.00 0.00 H new ATOM 570 N VAL A 51 4.804 7.857 2.324 1.00 0.00 N ATOM 571 CA VAL A 51 5.826 8.057 1.258 1.00 0.00 C ATOM 572 C VAL A 51 5.489 9.279 0.403 1.00 0.00 C ATOM 573 O VAL A 51 4.364 9.729 0.374 1.00 0.00 O ATOM 574 CB VAL A 51 5.774 6.778 0.423 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.838 5.558 1.348 1.00 0.00 C ATOM 576 CG2 VAL A 51 4.468 6.744 -0.375 1.00 0.00 C ATOM 0 H VAL A 51 3.838 7.804 2.002 1.00 0.00 H new ATOM 0 HA VAL A 51 6.819 8.238 1.670 1.00 0.00 H new ATOM 0 HB VAL A 51 6.621 6.758 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.801 4.647 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.767 5.581 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.991 5.577 2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.429 5.832 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.622 6.765 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.422 7.611 -1.034 1.00 0.00 H new ATOM 586 N PRO A 52 6.491 9.774 -0.269 1.00 0.00 N ATOM 587 CA PRO A 52 6.314 10.963 -1.139 1.00 0.00 C ATOM 588 C PRO A 52 5.427 10.619 -2.342 1.00 0.00 C ATOM 589 O PRO A 52 5.454 9.517 -2.853 1.00 0.00 O ATOM 590 CB PRO A 52 7.743 11.308 -1.563 1.00 0.00 C ATOM 591 CG PRO A 52 8.498 10.027 -1.432 1.00 0.00 C ATOM 592 CD PRO A 52 7.869 9.274 -0.291 1.00 0.00 C ATOM 0 HA PRO A 52 5.818 11.798 -0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.773 11.682 -2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.168 12.085 -0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.444 9.449 -2.355 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.553 10.217 -1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.903 8.197 -0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.382 9.470 0.650 1.00 0.00 H new ATOM 600 N SER A 53 4.626 11.552 -2.778 1.00 0.00 N ATOM 601 CA SER A 53 3.713 11.292 -3.929 1.00 0.00 C ATOM 602 C SER A 53 4.499 10.999 -5.213 1.00 0.00 C ATOM 603 O SER A 53 3.951 10.529 -6.190 1.00 0.00 O ATOM 604 CB SER A 53 2.912 12.584 -4.081 1.00 0.00 C ATOM 605 OG SER A 53 1.643 12.428 -3.457 1.00 0.00 O ATOM 0 H SER A 53 4.564 12.491 -2.384 1.00 0.00 H new ATOM 0 HA SER A 53 3.082 10.420 -3.755 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.452 13.416 -3.629 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.784 12.824 -5.137 1.00 0.00 H new ATOM 0 HG SER A 53 1.128 13.256 -3.552 1.00 0.00 H new ATOM 611 N ASP A 54 5.771 11.279 -5.228 1.00 0.00 N ATOM 612 CA ASP A 54 6.575 11.023 -6.459 1.00 0.00 C ATOM 613 C ASP A 54 7.037 9.562 -6.518 1.00 0.00 C ATOM 614 O ASP A 54 7.550 9.109 -7.523 1.00 0.00 O ATOM 615 CB ASP A 54 7.778 11.958 -6.345 1.00 0.00 C ATOM 616 CG ASP A 54 8.624 11.857 -7.616 1.00 0.00 C ATOM 617 OD1 ASP A 54 8.231 12.438 -8.614 1.00 0.00 O ATOM 618 OD2 ASP A 54 9.652 11.199 -7.569 1.00 0.00 O ATOM 0 H ASP A 54 6.290 11.673 -4.444 1.00 0.00 H new ATOM 0 HA ASP A 54 5.996 11.201 -7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.442 12.985 -6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.377 11.692 -5.474 1.00 0.00 H new ATOM 623 N LEU A 55 6.872 8.822 -5.455 1.00 0.00 N ATOM 624 CA LEU A 55 7.321 7.397 -5.473 1.00 0.00 C ATOM 625 C LEU A 55 6.561 6.597 -6.526 1.00 0.00 C ATOM 626 O LEU A 55 5.372 6.762 -6.718 1.00 0.00 O ATOM 627 CB LEU A 55 7.001 6.832 -4.088 1.00 0.00 C ATOM 628 CG LEU A 55 8.278 6.715 -3.260 1.00 0.00 C ATOM 629 CD1 LEU A 55 8.001 5.845 -2.033 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.389 6.064 -4.087 1.00 0.00 C ATOM 0 H LEU A 55 6.450 9.137 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 55 8.383 7.334 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.287 7.479 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.531 5.853 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 55 8.595 7.712 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.909 5.757 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.215 6.303 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.681 4.854 -2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.294 5.987 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.075 5.068 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.591 6.673 -4.968 1.00 0.00 H new ATOM 642 N THR A 56 7.244 5.714 -7.191 1.00 0.00 N ATOM 643 CA THR A 56 6.577 4.869 -8.220 1.00 0.00 C ATOM 644 C THR A 56 6.077 3.570 -7.581 1.00 0.00 C ATOM 645 O THR A 56 6.412 3.251 -6.456 1.00 0.00 O ATOM 646 CB THR A 56 7.659 4.577 -9.261 1.00 0.00 C ATOM 647 OG1 THR A 56 8.910 4.413 -8.608 1.00 0.00 O ATOM 648 CG2 THR A 56 7.746 5.739 -10.251 1.00 0.00 C ATOM 0 H THR A 56 8.241 5.538 -7.067 1.00 0.00 H new ATOM 0 HA THR A 56 5.713 5.361 -8.666 1.00 0.00 H new ATOM 0 HB THR A 56 7.407 3.663 -9.800 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.604 4.224 -9.274 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.518 5.529 -10.992 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.786 5.863 -10.752 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.997 6.655 -9.716 1.00 0.00 H new ATOM 656 N VAL A 57 5.284 2.818 -8.289 1.00 0.00 N ATOM 657 CA VAL A 57 4.767 1.539 -7.723 1.00 0.00 C ATOM 658 C VAL A 57 5.927 0.584 -7.420 1.00 0.00 C ATOM 659 O VAL A 57 5.829 -0.272 -6.563 1.00 0.00 O ATOM 660 CB VAL A 57 3.870 0.960 -8.816 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.341 -0.406 -8.375 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.693 1.906 -9.064 1.00 0.00 C ATOM 0 H VAL A 57 4.970 3.032 -9.236 1.00 0.00 H new ATOM 0 HA VAL A 57 4.228 1.689 -6.787 1.00 0.00 H new ATOM 0 HB VAL A 57 4.446 0.846 -9.734 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.701 -0.818 -9.156 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.179 -1.081 -8.199 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.766 -0.294 -7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.053 1.493 -9.844 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.118 2.020 -8.145 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.069 2.879 -9.380 1.00 0.00 H new ATOM 672 N GLY A 58 7.020 0.717 -8.121 1.00 0.00 N ATOM 673 CA GLY A 58 8.181 -0.189 -7.877 1.00 0.00 C ATOM 674 C GLY A 58 8.820 0.123 -6.519 1.00 0.00 C ATOM 675 O GLY A 58 9.222 -0.766 -5.796 1.00 0.00 O ATOM 0 H GLY A 58 7.160 1.414 -8.853 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.852 -1.228 -7.902 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.919 -0.069 -8.670 1.00 0.00 H new ATOM 679 N GLN A 59 8.921 1.376 -6.167 1.00 0.00 N ATOM 680 CA GLN A 59 9.540 1.734 -4.854 1.00 0.00 C ATOM 681 C GLN A 59 8.646 1.264 -3.706 1.00 0.00 C ATOM 682 O GLN A 59 9.096 0.632 -2.762 1.00 0.00 O ATOM 683 CB GLN A 59 9.637 3.257 -4.865 1.00 0.00 C ATOM 684 CG GLN A 59 10.474 3.704 -6.064 1.00 0.00 C ATOM 685 CD GLN A 59 11.823 4.233 -5.578 1.00 0.00 C ATOM 686 OE1 GLN A 59 11.981 4.550 -4.416 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.810 4.344 -6.425 1.00 0.00 N ATOM 0 H GLN A 59 8.604 2.166 -6.728 1.00 0.00 H new ATOM 0 HA GLN A 59 10.514 1.264 -4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.641 3.695 -4.919 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.091 3.610 -3.939 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.624 2.868 -6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.947 4.479 -6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.677 4.078 -7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.714 4.697 -6.111 1.00 0.00 H new ATOM 696 N PHE A 60 7.380 1.561 -3.776 1.00 0.00 N ATOM 697 CA PHE A 60 6.468 1.122 -2.686 1.00 0.00 C ATOM 698 C PHE A 60 6.486 -0.405 -2.590 1.00 0.00 C ATOM 699 O PHE A 60 6.610 -0.964 -1.523 1.00 0.00 O ATOM 700 CB PHE A 60 5.077 1.626 -3.081 1.00 0.00 C ATOM 701 CG PHE A 60 4.127 1.397 -1.930 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.452 1.869 -0.654 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.929 0.701 -2.134 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.581 1.646 0.421 1.00 0.00 C ATOM 705 CE2 PHE A 60 2.060 0.476 -1.059 1.00 0.00 C ATOM 706 CZ PHE A 60 2.388 0.949 0.218 1.00 0.00 C ATOM 0 H PHE A 60 6.940 2.084 -4.533 1.00 0.00 H new ATOM 0 HA PHE A 60 6.765 1.514 -1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.117 2.686 -3.331 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.725 1.102 -3.970 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.376 2.406 -0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.676 0.338 -3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.832 2.013 1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.137 -0.062 -1.215 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.718 0.774 1.047 1.00 0.00 H new ATOM 716 N TYR A 61 6.382 -1.088 -3.695 1.00 0.00 N ATOM 717 CA TYR A 61 6.408 -2.573 -3.651 1.00 0.00 C ATOM 718 C TYR A 61 7.613 -3.049 -2.841 1.00 0.00 C ATOM 719 O TYR A 61 7.624 -4.140 -2.305 1.00 0.00 O ATOM 720 CB TYR A 61 6.530 -2.998 -5.110 1.00 0.00 C ATOM 721 CG TYR A 61 5.465 -4.017 -5.431 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.462 -5.260 -4.786 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.477 -3.715 -6.375 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.469 -6.202 -5.087 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.485 -4.657 -6.676 1.00 0.00 C ATOM 726 CZ TYR A 61 3.481 -5.900 -6.032 1.00 0.00 C ATOM 727 OH TYR A 61 2.505 -6.828 -6.329 1.00 0.00 O ATOM 0 H TYR A 61 6.280 -0.681 -4.625 1.00 0.00 H new ATOM 0 HA TYR A 61 5.524 -2.998 -3.177 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.426 -2.131 -5.762 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.518 -3.419 -5.295 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.224 -5.492 -4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.479 -2.756 -6.871 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.466 -7.161 -4.590 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.723 -4.424 -7.405 1.00 0.00 H new ATOM 0 HH TYR A 61 1.897 -6.459 -7.004 1.00 0.00 H new ATOM 737 N PHE A 62 8.622 -2.235 -2.741 1.00 0.00 N ATOM 738 CA PHE A 62 9.822 -2.636 -1.961 1.00 0.00 C ATOM 739 C PHE A 62 9.559 -2.462 -0.462 1.00 0.00 C ATOM 740 O PHE A 62 9.787 -3.362 0.321 1.00 0.00 O ATOM 741 CB PHE A 62 10.933 -1.693 -2.424 1.00 0.00 C ATOM 742 CG PHE A 62 12.245 -2.440 -2.454 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.881 -2.785 -1.256 1.00 0.00 C ATOM 744 CD2 PHE A 62 12.825 -2.788 -3.680 1.00 0.00 C ATOM 745 CE1 PHE A 62 14.098 -3.478 -1.283 1.00 0.00 C ATOM 746 CE2 PHE A 62 14.041 -3.481 -3.708 1.00 0.00 C ATOM 747 CZ PHE A 62 14.678 -3.826 -2.509 1.00 0.00 C ATOM 0 H PHE A 62 8.668 -1.309 -3.166 1.00 0.00 H new ATOM 0 HA PHE A 62 10.086 -3.682 -2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.703 -1.301 -3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.004 -0.838 -1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.433 -2.517 -0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.334 -2.522 -4.604 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.589 -3.744 -0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.488 -3.750 -4.654 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.616 -4.360 -2.530 1.00 0.00 H new ATOM 757 N LEU A 63 9.107 -1.306 -0.048 1.00 0.00 N ATOM 758 CA LEU A 63 8.868 -1.102 1.418 1.00 0.00 C ATOM 759 C LEU A 63 7.771 -2.035 1.971 1.00 0.00 C ATOM 760 O LEU A 63 7.707 -2.258 3.164 1.00 0.00 O ATOM 761 CB LEU A 63 8.521 0.384 1.629 1.00 0.00 C ATOM 762 CG LEU A 63 7.372 0.851 0.730 1.00 0.00 C ATOM 763 CD1 LEU A 63 6.031 0.461 1.348 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.442 2.375 0.603 1.00 0.00 C ATOM 0 H LEU A 63 8.896 -0.507 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 63 9.768 -1.361 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.251 0.546 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.404 0.992 1.430 1.00 0.00 H new ATOM 0 HG LEU A 63 7.461 0.382 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.221 0.798 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.982 -0.622 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.932 0.929 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.630 2.725 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.348 2.827 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.398 2.660 0.163 1.00 0.00 H new ATOM 776 N ILE A 64 6.932 -2.621 1.147 1.00 0.00 N ATOM 777 CA ILE A 64 5.907 -3.562 1.717 1.00 0.00 C ATOM 778 C ILE A 64 6.472 -4.980 1.707 1.00 0.00 C ATOM 779 O ILE A 64 6.257 -5.749 2.618 1.00 0.00 O ATOM 780 CB ILE A 64 4.664 -3.528 0.821 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.436 -2.127 0.266 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.443 -3.956 1.643 1.00 0.00 C ATOM 783 CD1 ILE A 64 3.025 -2.035 -0.322 1.00 0.00 C ATOM 0 H ILE A 64 6.909 -2.496 0.135 1.00 0.00 H new ATOM 0 HA ILE A 64 5.654 -3.267 2.735 1.00 0.00 H new ATOM 0 HB ILE A 64 4.813 -4.211 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.562 -1.386 1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.177 -1.903 -0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.554 -3.934 1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.595 -4.967 2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.310 -3.271 2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.861 -1.033 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.917 -2.766 -1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.292 -2.241 0.458 1.00 0.00 H new ATOM 795 N ARG A 65 7.178 -5.323 0.663 1.00 0.00 N ATOM 796 CA ARG A 65 7.765 -6.695 0.554 1.00 0.00 C ATOM 797 C ARG A 65 8.208 -7.213 1.928 1.00 0.00 C ATOM 798 O ARG A 65 7.676 -8.180 2.435 1.00 0.00 O ATOM 799 CB ARG A 65 8.972 -6.535 -0.371 1.00 0.00 C ATOM 800 CG ARG A 65 8.787 -7.417 -1.609 1.00 0.00 C ATOM 801 CD ARG A 65 9.469 -6.761 -2.812 1.00 0.00 C ATOM 802 NE ARG A 65 8.692 -7.227 -3.995 1.00 0.00 N ATOM 803 CZ ARG A 65 9.313 -7.754 -5.016 1.00 0.00 C ATOM 804 NH1 ARG A 65 9.796 -8.964 -4.932 1.00 0.00 N ATOM 805 NH2 ARG A 65 9.449 -7.073 -6.120 1.00 0.00 N ATOM 0 H ARG A 65 7.376 -4.708 -0.126 1.00 0.00 H new ATOM 0 HA ARG A 65 7.042 -7.415 0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.081 -5.492 -0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.886 -6.814 0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.212 -8.405 -1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.725 -7.558 -1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.452 -5.674 -2.731 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.515 -7.059 -2.884 1.00 0.00 H new ATOM 0 HE ARG A 65 7.676 -7.135 -4.007 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.688 -9.497 -4.069 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.281 -9.376 -5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.070 -6.128 -6.186 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.934 -7.485 -6.917 1.00 0.00 H new ATOM 817 N LYS A 66 9.176 -6.581 2.533 1.00 0.00 N ATOM 818 CA LYS A 66 9.642 -7.048 3.871 1.00 0.00 C ATOM 819 C LYS A 66 8.521 -6.903 4.901 1.00 0.00 C ATOM 820 O LYS A 66 8.421 -7.671 5.836 1.00 0.00 O ATOM 821 CB LYS A 66 10.819 -6.137 4.224 1.00 0.00 C ATOM 822 CG LYS A 66 12.133 -6.882 3.979 1.00 0.00 C ATOM 823 CD LYS A 66 12.994 -6.088 2.994 1.00 0.00 C ATOM 824 CE LYS A 66 14.240 -5.566 3.712 1.00 0.00 C ATOM 825 NZ LYS A 66 15.019 -6.786 4.062 1.00 0.00 N ATOM 0 H LYS A 66 9.663 -5.765 2.162 1.00 0.00 H new ATOM 0 HA LYS A 66 9.931 -8.099 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.785 -5.230 3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.753 -5.828 5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.668 -7.017 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.931 -7.877 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.283 -6.721 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.422 -5.256 2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.816 -4.900 3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.974 -4.998 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.034 -6.596 3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.830 -7.047 5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.738 -7.569 3.438 1.00 0.00 H new ATOM 839 N ARG A 67 7.675 -5.925 4.736 1.00 0.00 N ATOM 840 CA ARG A 67 6.559 -5.738 5.705 1.00 0.00 C ATOM 841 C ARG A 67 5.559 -6.892 5.584 1.00 0.00 C ATOM 842 O ARG A 67 4.752 -7.118 6.462 1.00 0.00 O ATOM 843 CB ARG A 67 5.905 -4.416 5.308 1.00 0.00 C ATOM 844 CG ARG A 67 6.762 -3.252 5.809 1.00 0.00 C ATOM 845 CD ARG A 67 6.423 -2.959 7.273 1.00 0.00 C ATOM 846 NE ARG A 67 7.445 -1.969 7.712 1.00 0.00 N ATOM 847 CZ ARG A 67 8.698 -2.321 7.802 1.00 0.00 C ATOM 848 NH1 ARG A 67 9.074 -3.165 8.723 1.00 0.00 N ATOM 849 NH2 ARG A 67 9.576 -1.828 6.972 1.00 0.00 N ATOM 0 H ARG A 67 7.708 -5.248 3.974 1.00 0.00 H new ATOM 0 HA ARG A 67 6.906 -5.724 6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.797 -4.362 4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.903 -4.352 5.732 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.820 -3.497 5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.583 -2.366 5.199 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.415 -2.557 7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.465 -3.865 7.877 1.00 0.00 H new ATOM 0 HE ARG A 67 7.165 -1.016 7.942 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.388 -3.550 9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.054 -3.440 8.793 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.283 -1.167 6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.556 -2.103 7.043 1.00 0.00 H new ATOM 861 N ILE A 68 5.613 -7.629 4.506 1.00 0.00 N ATOM 862 CA ILE A 68 4.671 -8.772 4.340 1.00 0.00 C ATOM 863 C ILE A 68 5.361 -10.069 4.756 1.00 0.00 C ATOM 864 O ILE A 68 4.847 -11.148 4.555 1.00 0.00 O ATOM 865 CB ILE A 68 4.325 -8.804 2.846 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.538 -7.546 2.422 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.473 -10.039 2.553 1.00 0.00 C ATOM 868 CD1 ILE A 68 2.894 -6.859 3.634 1.00 0.00 C ATOM 0 H ILE A 68 6.267 -7.489 3.736 1.00 0.00 H new ATOM 0 HA ILE A 68 3.777 -8.664 4.955 1.00 0.00 H new ATOM 0 HB ILE A 68 5.258 -8.835 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.207 -6.848 1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.766 -7.822 1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.224 -10.066 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.031 -10.937 2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.555 -9.995 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.347 -5.976 3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.207 -7.551 4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.670 -6.562 4.339 1.00 0.00 H new ATOM 880 N HIS A 69 6.528 -9.968 5.331 1.00 0.00 N ATOM 881 CA HIS A 69 7.261 -11.192 5.761 1.00 0.00 C ATOM 882 C HIS A 69 7.473 -12.127 4.574 1.00 0.00 C ATOM 883 O HIS A 69 7.544 -13.331 4.720 1.00 0.00 O ATOM 884 CB HIS A 69 6.367 -11.846 6.815 1.00 0.00 C ATOM 885 CG HIS A 69 7.201 -12.254 7.998 1.00 0.00 C ATOM 886 ND1 HIS A 69 8.304 -11.525 8.413 1.00 0.00 N ATOM 887 CD2 HIS A 69 7.104 -13.313 8.866 1.00 0.00 C ATOM 888 CE1 HIS A 69 8.822 -12.148 9.486 1.00 0.00 C ATOM 889 NE2 HIS A 69 8.130 -13.245 9.806 1.00 0.00 N ATOM 0 H HIS A 69 7.007 -9.088 5.522 1.00 0.00 H new ATOM 0 HA HIS A 69 8.249 -10.961 6.159 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.588 -11.151 7.128 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.866 -12.717 6.392 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.347 -14.082 8.826 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.693 -11.803 10.024 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.313 -13.893 10.573 1.00 0.00 H new ATOM 897 N LEU A 70 7.588 -11.578 3.400 1.00 0.00 N ATOM 898 CA LEU A 70 7.813 -12.432 2.200 1.00 0.00 C ATOM 899 C LEU A 70 9.162 -12.091 1.563 1.00 0.00 C ATOM 900 O LEU A 70 9.675 -11.001 1.723 1.00 0.00 O ATOM 901 CB LEU A 70 6.661 -12.116 1.244 1.00 0.00 C ATOM 902 CG LEU A 70 6.736 -10.656 0.783 1.00 0.00 C ATOM 903 CD1 LEU A 70 7.802 -10.515 -0.305 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.377 -10.237 0.216 1.00 0.00 C ATOM 0 H LEU A 70 7.536 -10.576 3.217 1.00 0.00 H new ATOM 0 HA LEU A 70 7.837 -13.493 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.704 -12.780 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.708 -12.299 1.740 1.00 0.00 H new ATOM 0 HG LEU A 70 6.996 -10.020 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.854 -9.476 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.770 -10.819 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.543 -11.149 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.425 -9.199 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.124 -10.875 -0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.614 -10.338 0.988 1.00 0.00 H new ATOM 916 N ARG A 71 9.747 -13.016 0.855 1.00 0.00 N ATOM 917 CA ARG A 71 11.072 -12.735 0.225 1.00 0.00 C ATOM 918 C ARG A 71 11.421 -13.800 -0.822 1.00 0.00 C ATOM 919 O ARG A 71 10.606 -14.621 -1.191 1.00 0.00 O ATOM 920 CB ARG A 71 12.065 -12.783 1.391 1.00 0.00 C ATOM 921 CG ARG A 71 12.344 -14.241 1.771 1.00 0.00 C ATOM 922 CD ARG A 71 13.484 -14.295 2.791 1.00 0.00 C ATOM 923 NE ARG A 71 13.009 -15.231 3.848 1.00 0.00 N ATOM 924 CZ ARG A 71 12.075 -14.856 4.679 1.00 0.00 C ATOM 925 NH1 ARG A 71 12.204 -13.741 5.346 1.00 0.00 N ATOM 926 NH2 ARG A 71 11.013 -15.596 4.843 1.00 0.00 N ATOM 0 H ARG A 71 9.371 -13.949 0.685 1.00 0.00 H new ATOM 0 HA ARG A 71 11.084 -11.779 -0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.994 -12.286 1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.661 -12.244 2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.446 -14.697 2.189 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.609 -14.815 0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.407 -14.651 2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.693 -13.308 3.203 1.00 0.00 H new ATOM 0 HE ARG A 71 13.413 -16.164 3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.035 -13.163 5.218 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.474 -13.448 5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.913 -16.467 4.322 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.283 -15.303 5.492 1.00 0.00 H new ATOM 938 N ALA A 72 12.644 -13.794 -1.286 1.00 0.00 N ATOM 939 CA ALA A 72 13.081 -14.804 -2.293 1.00 0.00 C ATOM 940 C ALA A 72 12.090 -14.883 -3.457 1.00 0.00 C ATOM 941 O ALA A 72 12.206 -14.163 -4.429 1.00 0.00 O ATOM 942 CB ALA A 72 13.127 -16.128 -1.529 1.00 0.00 C ATOM 0 H ALA A 72 13.364 -13.127 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 72 14.046 -14.549 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.441 -16.926 -2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.836 -16.048 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.137 -16.355 -1.135 1.00 0.00 H new ATOM 948 N GLU A 73 11.128 -15.761 -3.381 1.00 0.00 N ATOM 949 CA GLU A 73 10.154 -15.885 -4.501 1.00 0.00 C ATOM 950 C GLU A 73 8.742 -16.162 -3.974 1.00 0.00 C ATOM 951 O GLU A 73 8.039 -17.016 -4.477 1.00 0.00 O ATOM 952 CB GLU A 73 10.667 -17.067 -5.326 1.00 0.00 C ATOM 953 CG GLU A 73 10.294 -18.384 -4.638 1.00 0.00 C ATOM 954 CD GLU A 73 9.203 -19.092 -5.443 1.00 0.00 C ATOM 955 OE1 GLU A 73 8.677 -18.478 -6.357 1.00 0.00 O ATOM 956 OE2 GLU A 73 8.911 -20.235 -5.132 1.00 0.00 O ATOM 0 H GLU A 73 10.975 -16.394 -2.596 1.00 0.00 H new ATOM 0 HA GLU A 73 10.083 -14.969 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.238 -17.036 -6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.749 -17.000 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.172 -19.024 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.944 -18.190 -3.624 1.00 0.00 H new ATOM 963 N ASP A 74 8.311 -15.443 -2.975 1.00 0.00 N ATOM 964 CA ASP A 74 6.939 -15.674 -2.440 1.00 0.00 C ATOM 965 C ASP A 74 5.906 -15.136 -3.420 1.00 0.00 C ATOM 966 O ASP A 74 6.223 -14.549 -4.435 1.00 0.00 O ATOM 967 CB ASP A 74 6.891 -14.922 -1.101 1.00 0.00 C ATOM 968 CG ASP A 74 5.499 -14.338 -0.830 1.00 0.00 C ATOM 969 OD1 ASP A 74 5.107 -13.433 -1.547 1.00 0.00 O ATOM 970 OD2 ASP A 74 4.850 -14.808 0.090 1.00 0.00 O ATOM 0 H ASP A 74 8.845 -14.710 -2.508 1.00 0.00 H new ATOM 0 HA ASP A 74 6.716 -16.732 -2.301 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.165 -15.600 -0.293 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.628 -14.119 -1.108 1.00 0.00 H new ATOM 975 N ALA A 75 4.672 -15.341 -3.107 1.00 0.00 N ATOM 976 CA ALA A 75 3.577 -14.857 -3.994 1.00 0.00 C ATOM 977 C ALA A 75 2.906 -13.627 -3.380 1.00 0.00 C ATOM 978 O ALA A 75 2.695 -13.554 -2.186 1.00 0.00 O ATOM 979 CB ALA A 75 2.587 -16.017 -4.080 1.00 0.00 C ATOM 0 H ALA A 75 4.362 -15.828 -2.266 1.00 0.00 H new ATOM 0 HA ALA A 75 3.945 -14.564 -4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.750 -15.735 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.086 -16.890 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.218 -16.255 -3.082 1.00 0.00 H new ATOM 985 N LEU A 76 2.568 -12.661 -4.188 1.00 0.00 N ATOM 986 CA LEU A 76 1.908 -11.438 -3.648 1.00 0.00 C ATOM 987 C LEU A 76 1.262 -10.634 -4.775 1.00 0.00 C ATOM 988 O LEU A 76 1.686 -10.681 -5.913 1.00 0.00 O ATOM 989 CB LEU A 76 3.027 -10.627 -3.001 1.00 0.00 C ATOM 990 CG LEU A 76 2.457 -9.320 -2.450 1.00 0.00 C ATOM 991 CD1 LEU A 76 1.564 -9.620 -1.245 1.00 0.00 C ATOM 992 CD2 LEU A 76 3.605 -8.406 -2.018 1.00 0.00 C ATOM 0 H LEU A 76 2.719 -12.665 -5.197 1.00 0.00 H new ATOM 0 HA LEU A 76 1.118 -11.687 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.489 -11.201 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.807 -10.416 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 76 1.869 -8.826 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.158 -8.688 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.746 -10.272 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.151 -10.114 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.200 -7.474 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.193 -8.901 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.242 -8.191 -2.876 1.00 0.00 H new ATOM 1004 N PHE A 77 0.245 -9.890 -4.455 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.443 -9.064 -5.484 1.00 0.00 C ATOM 1006 C PHE A 77 -1.195 -7.920 -4.805 1.00 0.00 C ATOM 1007 O PHE A 77 -2.062 -8.140 -3.979 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.430 -10.011 -6.160 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.696 -11.213 -6.708 1.00 0.00 C ATOM 1010 CD1 PHE A 77 0.074 -11.093 -7.871 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.786 -12.445 -6.051 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.753 -12.208 -8.377 1.00 0.00 C ATOM 1013 CE2 PHE A 77 -0.107 -13.560 -6.558 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.663 -13.441 -7.721 1.00 0.00 C ATOM 0 H PHE A 77 -0.144 -9.817 -3.515 1.00 0.00 H new ATOM 0 HA PHE A 77 0.254 -8.624 -6.197 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.188 -10.332 -5.445 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.951 -9.493 -6.966 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.144 -10.142 -8.377 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.379 -12.536 -5.153 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.347 -12.117 -9.274 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.177 -14.511 -6.052 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.187 -14.300 -8.112 1.00 0.00 H new ATOM 1024 N PHE A 78 -0.863 -6.699 -5.127 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.551 -5.553 -4.484 1.00 0.00 C ATOM 1026 C PHE A 78 -2.872 -5.220 -5.173 1.00 0.00 C ATOM 1027 O PHE A 78 -2.960 -5.124 -6.382 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.582 -4.398 -4.650 1.00 0.00 C ATOM 1029 CG PHE A 78 0.638 -4.613 -3.793 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.709 -5.670 -2.874 1.00 0.00 C ATOM 1031 CD2 PHE A 78 1.698 -3.728 -3.916 1.00 0.00 C ATOM 1032 CE1 PHE A 78 1.850 -5.827 -2.078 1.00 0.00 C ATOM 1033 CE2 PHE A 78 2.838 -3.881 -3.126 1.00 0.00 C ATOM 1034 CZ PHE A 78 2.915 -4.929 -2.203 1.00 0.00 C ATOM 0 H PHE A 78 -0.145 -6.450 -5.807 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.799 -5.769 -3.445 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.289 -4.308 -5.696 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.069 -3.463 -4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.115 -6.362 -2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.641 -2.917 -4.626 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.908 -6.640 -1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.662 -3.190 -3.227 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.795 -5.045 -1.588 1.00 0.00 H new ATOM 1044 N PHE A 79 -3.889 -5.006 -4.393 1.00 0.00 N ATOM 1045 CA PHE A 79 -5.215 -4.633 -4.948 1.00 0.00 C ATOM 1046 C PHE A 79 -5.624 -3.283 -4.365 1.00 0.00 C ATOM 1047 O PHE A 79 -5.685 -3.108 -3.162 1.00 0.00 O ATOM 1048 CB PHE A 79 -6.176 -5.719 -4.482 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.616 -7.079 -4.827 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -5.596 -7.506 -6.160 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -5.122 -7.913 -3.816 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -5.080 -8.767 -6.482 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -4.608 -9.174 -4.140 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.587 -9.601 -5.473 1.00 0.00 C ATOM 0 H PHE A 79 -3.857 -5.075 -3.376 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.209 -4.551 -6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.332 -5.642 -3.406 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.148 -5.585 -4.956 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.978 -6.863 -6.939 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.138 -7.584 -2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.063 -9.096 -7.510 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.227 -9.818 -3.361 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.190 -10.574 -5.722 1.00 0.00 H new ATOM 1064 N VAL A 80 -5.891 -2.326 -5.197 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.285 -0.984 -4.679 1.00 0.00 C ATOM 1066 C VAL A 80 -7.676 -0.610 -5.194 1.00 0.00 C ATOM 1067 O VAL A 80 -7.904 -0.520 -6.384 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.227 -0.012 -5.209 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.189 1.226 -4.314 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.848 -0.682 -5.195 1.00 0.00 C ATOM 0 H VAL A 80 -5.855 -2.408 -6.213 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.333 -0.962 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.480 0.272 -6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.437 1.922 -4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.166 1.710 -4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.937 0.931 -3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.101 0.016 -5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.593 -0.969 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.868 -1.570 -5.827 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.609 -0.395 -4.307 1.00 0.00 N ATOM 1081 CA ASN A 81 -9.987 -0.030 -4.747 1.00 0.00 C ATOM 1082 C ASN A 81 -10.485 -1.026 -5.797 1.00 0.00 C ATOM 1083 O ASN A 81 -11.135 -0.659 -6.755 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.855 1.367 -5.354 1.00 0.00 C ATOM 1085 CG ASN A 81 -11.227 2.041 -5.384 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -11.851 2.220 -4.357 1.00 0.00 O ATOM 1087 ND2 ASN A 81 -11.726 2.426 -6.526 1.00 0.00 N ATOM 0 H ASN A 81 -8.477 -0.456 -3.297 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.702 -0.049 -3.924 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.157 1.965 -4.768 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.449 1.300 -6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.640 2.877 -6.557 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.202 2.276 -7.388 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.183 -2.285 -5.625 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.638 -3.305 -6.615 1.00 0.00 C ATOM 1096 C ASN A 82 -9.973 -3.060 -7.971 1.00 0.00 C ATOM 1097 O ASN A 82 -10.565 -3.270 -9.011 1.00 0.00 O ATOM 1098 CB ASN A 82 -12.150 -3.111 -6.718 1.00 0.00 C ATOM 1099 CG ASN A 82 -12.859 -4.391 -6.274 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -12.525 -5.470 -6.722 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -13.830 -4.316 -5.406 1.00 0.00 N ATOM 0 H ASN A 82 -9.641 -2.652 -4.842 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.377 -4.319 -6.312 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.463 -2.274 -6.094 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.427 -2.866 -7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.310 -5.164 -5.103 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.110 -3.410 -5.031 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.746 -2.616 -7.967 1.00 0.00 N ATOM 1109 CA VAL A 83 -8.042 -2.355 -9.257 1.00 0.00 C ATOM 1110 C VAL A 83 -6.617 -2.915 -9.197 1.00 0.00 C ATOM 1111 O VAL A 83 -6.129 -3.271 -8.144 1.00 0.00 O ATOM 1112 CB VAL A 83 -8.011 -0.829 -9.399 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.788 -0.454 -10.865 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.340 -0.232 -8.925 1.00 0.00 C ATOM 0 H VAL A 83 -8.200 -2.422 -7.128 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.541 -2.829 -10.102 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.198 -0.434 -8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.766 0.631 -10.964 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.839 -0.868 -11.206 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.599 -0.857 -11.471 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.309 0.853 -9.029 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.154 -0.632 -9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.503 -0.491 -7.879 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.946 -2.977 -10.318 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.550 -3.508 -10.343 1.00 0.00 C ATOM 1126 C ILE A 84 -3.797 -2.912 -11.535 1.00 0.00 C ATOM 1127 O ILE A 84 -3.539 -3.590 -12.511 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.675 -5.025 -10.548 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -5.848 -5.597 -9.745 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.382 -5.707 -10.097 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -7.157 -5.346 -10.496 1.00 0.00 C ATOM 0 H ILE A 84 -6.308 -2.680 -11.224 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.014 -3.260 -9.427 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.854 -5.212 -11.607 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.707 -6.666 -9.588 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.888 -5.133 -8.760 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.469 -6.784 -10.242 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.546 -5.328 -10.685 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.208 -5.496 -9.042 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.989 -5.754 -9.923 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.300 -4.274 -10.630 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.116 -5.831 -11.471 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.470 -1.655 -11.411 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.739 -0.945 -12.489 1.00 0.00 C ATOM 1145 C PRO A 85 -1.277 -1.401 -12.542 1.00 0.00 C ATOM 1146 O PRO A 85 -0.787 -2.028 -11.624 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.833 0.522 -12.077 1.00 0.00 C ATOM 1148 CG PRO A 85 -3.028 0.496 -10.593 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.750 -0.786 -10.264 1.00 0.00 C ATOM 0 HA PRO A 85 -3.151 -1.135 -13.480 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.928 1.066 -12.347 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.665 1.019 -12.576 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.069 0.541 -10.077 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.607 1.359 -10.265 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.385 -1.222 -9.334 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.820 -0.621 -10.140 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.630 -1.064 -13.624 1.00 0.00 N ATOM 1158 CA PRO A 86 0.795 -1.436 -13.811 1.00 0.00 C ATOM 1159 C PRO A 86 1.690 -0.587 -12.905 1.00 0.00 C ATOM 1160 O PRO A 86 1.222 0.270 -12.182 1.00 0.00 O ATOM 1161 CB PRO A 86 1.056 -1.126 -15.283 1.00 0.00 C ATOM 1162 CG PRO A 86 0.045 -0.084 -15.645 1.00 0.00 C ATOM 1163 CD PRO A 86 -1.159 -0.311 -14.767 1.00 0.00 C ATOM 0 HA PRO A 86 1.005 -2.475 -13.557 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.071 -0.760 -15.435 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.942 -2.017 -15.900 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.451 0.916 -15.492 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.226 -0.160 -16.698 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.606 0.632 -14.451 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.934 -0.872 -15.290 1.00 0.00 H new ATOM 1171 N THR A 87 2.972 -0.823 -12.933 1.00 0.00 N ATOM 1172 CA THR A 87 3.894 -0.028 -12.066 1.00 0.00 C ATOM 1173 C THR A 87 4.333 1.251 -12.777 1.00 0.00 C ATOM 1174 O THR A 87 5.340 1.846 -12.449 1.00 0.00 O ATOM 1175 CB THR A 87 5.100 -0.930 -11.813 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.286 -1.806 -12.916 1.00 0.00 O ATOM 1177 CG2 THR A 87 4.873 -1.745 -10.539 1.00 0.00 C ATOM 0 H THR A 87 3.423 -1.529 -13.516 1.00 0.00 H new ATOM 0 HA THR A 87 3.408 0.273 -11.138 1.00 0.00 H new ATOM 0 HB THR A 87 5.991 -0.313 -11.693 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.062 -2.381 -12.750 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.735 -2.388 -10.360 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.742 -1.070 -9.693 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.980 -2.359 -10.654 1.00 0.00 H new ATOM 1185 N SER A 88 3.577 1.679 -13.741 1.00 0.00 N ATOM 1186 CA SER A 88 3.931 2.927 -14.478 1.00 0.00 C ATOM 1187 C SER A 88 3.227 4.121 -13.833 1.00 0.00 C ATOM 1188 O SER A 88 2.741 5.009 -14.505 1.00 0.00 O ATOM 1189 CB SER A 88 3.422 2.707 -15.902 1.00 0.00 C ATOM 1190 OG SER A 88 2.170 2.038 -15.853 1.00 0.00 O ATOM 0 H SER A 88 2.723 1.219 -14.056 1.00 0.00 H new ATOM 0 HA SER A 88 5.001 3.134 -14.461 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.317 3.663 -16.415 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.141 2.117 -16.471 1.00 0.00 H new ATOM 0 HG SER A 88 1.489 2.644 -15.494 1.00 0.00 H new ATOM 1196 N ALA A 89 3.164 4.139 -12.532 1.00 0.00 N ATOM 1197 CA ALA A 89 2.486 5.263 -11.828 1.00 0.00 C ATOM 1198 C ALA A 89 3.194 5.566 -10.512 1.00 0.00 C ATOM 1199 O ALA A 89 4.240 5.026 -10.211 1.00 0.00 O ATOM 1200 CB ALA A 89 1.065 4.764 -11.567 1.00 0.00 C ATOM 0 H ALA A 89 3.555 3.420 -11.923 1.00 0.00 H new ATOM 0 HA ALA A 89 2.497 6.183 -12.413 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.497 5.537 -11.049 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.581 4.532 -12.516 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.102 3.866 -10.950 1.00 0.00 H new ATOM 1206 N THR A 90 2.623 6.430 -9.729 1.00 0.00 N ATOM 1207 CA THR A 90 3.249 6.787 -8.425 1.00 0.00 C ATOM 1208 C THR A 90 2.175 6.899 -7.342 1.00 0.00 C ATOM 1209 O THR A 90 1.057 7.308 -7.595 1.00 0.00 O ATOM 1210 CB THR A 90 3.912 8.145 -8.662 1.00 0.00 C ATOM 1211 OG1 THR A 90 2.916 9.107 -8.981 1.00 0.00 O ATOM 1212 CG2 THR A 90 4.909 8.036 -9.818 1.00 0.00 C ATOM 0 H THR A 90 1.746 6.908 -9.934 1.00 0.00 H new ATOM 0 HA THR A 90 3.965 6.037 -8.090 1.00 0.00 H new ATOM 0 HB THR A 90 4.440 8.453 -7.760 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.339 9.978 -9.131 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.380 9.005 -9.985 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.673 7.299 -9.571 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.385 7.727 -10.722 1.00 0.00 H new ATOM 1220 N MET A 91 2.503 6.529 -6.135 1.00 0.00 N ATOM 1221 CA MET A 91 1.499 6.602 -5.036 1.00 0.00 C ATOM 1222 C MET A 91 0.865 7.994 -4.990 1.00 0.00 C ATOM 1223 O MET A 91 -0.323 8.142 -4.772 1.00 0.00 O ATOM 1224 CB MET A 91 2.285 6.326 -3.753 1.00 0.00 C ATOM 1225 CG MET A 91 2.785 4.880 -3.760 1.00 0.00 C ATOM 1226 SD MET A 91 1.832 3.906 -2.569 1.00 0.00 S ATOM 1227 CE MET A 91 2.763 4.378 -1.091 1.00 0.00 C ATOM 0 H MET A 91 3.422 6.180 -5.862 1.00 0.00 H new ATOM 0 HA MET A 91 0.687 5.888 -5.174 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.128 7.013 -3.676 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.652 6.499 -2.882 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.684 4.454 -4.758 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.845 4.849 -3.506 1.00 0.00 H new ATOM 0 HE1 MET A 91 2.360 3.854 -0.224 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.812 4.111 -1.221 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.679 5.454 -0.936 1.00 0.00 H new ATOM 1237 N GLY A 92 1.648 9.015 -5.194 1.00 0.00 N ATOM 1238 CA GLY A 92 1.090 10.394 -5.161 1.00 0.00 C ATOM 1239 C GLY A 92 -0.120 10.480 -6.086 1.00 0.00 C ATOM 1240 O GLY A 92 -1.172 10.954 -5.707 1.00 0.00 O ATOM 0 H GLY A 92 2.649 8.954 -5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.801 10.656 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.849 11.112 -5.472 1.00 0.00 H new ATOM 1244 N GLN A 93 0.021 10.027 -7.298 1.00 0.00 N ATOM 1245 CA GLN A 93 -1.125 10.086 -8.245 1.00 0.00 C ATOM 1246 C GLN A 93 -2.258 9.189 -7.738 1.00 0.00 C ATOM 1247 O GLN A 93 -3.417 9.414 -8.025 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.559 9.599 -9.593 1.00 0.00 C ATOM 1249 CG GLN A 93 -0.798 8.096 -9.786 1.00 0.00 C ATOM 1250 CD GLN A 93 -2.251 7.856 -10.203 1.00 0.00 C ATOM 1251 OE1 GLN A 93 -2.983 7.162 -9.526 1.00 0.00 O ATOM 1252 NE2 GLN A 93 -2.702 8.404 -11.298 1.00 0.00 N ATOM 0 H GLN A 93 0.877 9.619 -7.674 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.547 11.086 -8.344 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.027 10.152 -10.408 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.510 9.809 -9.638 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.122 7.705 -10.546 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.582 7.561 -8.861 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.088 8.987 -11.867 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.669 8.250 -11.585 1.00 0.00 H new ATOM 1261 N LEU A 94 -1.931 8.178 -6.979 1.00 0.00 N ATOM 1262 CA LEU A 94 -2.991 7.279 -6.451 1.00 0.00 C ATOM 1263 C LEU A 94 -3.840 8.020 -5.419 1.00 0.00 C ATOM 1264 O LEU A 94 -4.980 7.690 -5.185 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.234 6.096 -5.829 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.243 6.168 -4.296 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.522 5.519 -3.766 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -1.029 5.419 -3.748 1.00 0.00 C ATOM 0 H LEU A 94 -0.979 7.938 -6.704 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.682 6.939 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.689 5.160 -6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.205 6.091 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.204 7.210 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.531 5.569 -2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.389 6.048 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.559 4.476 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.032 5.468 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.071 4.377 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.116 5.877 -4.129 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.292 9.015 -4.788 1.00 0.00 N ATOM 1281 CA TYR A 95 -4.087 9.746 -3.772 1.00 0.00 C ATOM 1282 C TYR A 95 -5.454 10.116 -4.356 1.00 0.00 C ATOM 1283 O TYR A 95 -6.481 9.768 -3.814 1.00 0.00 O ATOM 1284 CB TYR A 95 -3.264 10.994 -3.447 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.351 11.279 -1.969 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -3.169 10.240 -1.051 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.617 12.576 -1.519 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -3.252 10.499 0.322 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.698 12.837 -0.146 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.517 11.798 0.775 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.598 12.056 2.127 1.00 0.00 O ATOM 0 H TYR A 95 -2.339 9.351 -4.929 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.278 9.154 -2.877 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.225 10.844 -3.739 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.635 11.847 -4.016 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.965 9.239 -1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.760 13.376 -2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.112 9.698 1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.900 13.839 0.203 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.466 11.753 2.466 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.479 10.808 -5.458 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.786 11.186 -6.072 1.00 0.00 C ATOM 1303 C GLN A 96 -7.501 9.958 -6.657 1.00 0.00 C ATOM 1304 O GLN A 96 -8.684 9.993 -6.930 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.430 12.174 -7.182 1.00 0.00 C ATOM 1306 CG GLN A 96 -6.243 13.569 -6.582 1.00 0.00 C ATOM 1307 CD GLN A 96 -6.395 14.623 -7.680 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -5.562 14.725 -8.559 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -7.430 15.418 -7.667 1.00 0.00 N ATOM 0 H GLN A 96 -4.653 11.130 -5.962 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.466 11.615 -5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.517 11.858 -7.686 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.219 12.193 -7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.978 13.739 -5.796 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.259 13.649 -6.121 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.129 15.333 -6.929 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.540 16.125 -8.394 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.788 8.885 -6.887 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.431 7.679 -7.497 1.00 0.00 C ATOM 1320 C GLU A 97 -8.050 6.740 -6.449 1.00 0.00 C ATOM 1321 O GLU A 97 -9.249 6.547 -6.418 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.302 6.969 -8.246 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.345 7.363 -9.723 1.00 0.00 C ATOM 1324 CD GLU A 97 -5.380 6.479 -10.516 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -4.754 5.627 -9.908 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -5.285 6.669 -11.716 1.00 0.00 O ATOM 0 H GLU A 97 -5.794 8.790 -6.681 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.258 7.970 -8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.338 7.239 -7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.406 5.889 -8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.358 7.252 -10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.072 8.412 -9.839 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.249 6.112 -5.627 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.803 5.148 -4.640 1.00 0.00 C ATOM 1335 C HIS A 98 -7.968 5.770 -3.248 1.00 0.00 C ATOM 1336 O HIS A 98 -7.775 5.114 -2.237 1.00 0.00 O ATOM 1337 CB HIS A 98 -6.759 4.043 -4.612 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.592 3.486 -5.996 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -5.514 2.933 -6.630 1.00 0.00 N flip ATOM 1340 CD2 HIS A 98 -7.628 3.459 -6.916 1.00 0.00 C flip ATOM 1341 CE1 HIS A 98 -5.866 2.565 -7.925 1.00 0.00 C flip ATOM 1342 NE2 HIS A 98 -7.152 2.904 -8.045 1.00 0.00 N flip ATOM 0 H HIS A 98 -6.236 6.228 -5.599 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.800 4.805 -4.915 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.809 4.433 -4.247 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.065 3.255 -3.924 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -8.634 3.818 -6.756 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -5.236 2.105 -8.671 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -7.706 2.760 -8.889 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.346 7.016 -3.181 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.553 7.654 -1.843 1.00 0.00 C ATOM 1352 C HIS A 99 -9.784 7.033 -1.166 1.00 0.00 C ATOM 1353 O HIS A 99 -10.544 6.319 -1.787 1.00 0.00 O ATOM 1354 CB HIS A 99 -8.775 9.154 -2.102 1.00 0.00 C ATOM 1355 CG HIS A 99 -9.642 9.374 -3.318 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -10.485 8.395 -3.824 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -9.805 10.465 -4.137 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -11.109 8.913 -4.898 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -10.731 10.171 -5.133 1.00 0.00 N ATOM 0 H HIS A 99 -8.520 7.619 -3.985 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.698 7.501 -1.185 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.243 9.611 -1.230 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.814 9.648 -2.243 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -10.609 7.454 -3.450 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.292 11.409 -4.025 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.829 8.375 -5.497 1.00 0.00 H new ATOM 1367 N GLU A 100 -9.988 7.285 0.100 1.00 0.00 N ATOM 1368 CA GLU A 100 -11.174 6.692 0.785 1.00 0.00 C ATOM 1369 C GLU A 100 -11.264 7.178 2.234 1.00 0.00 C ATOM 1370 O GLU A 100 -10.318 7.705 2.785 1.00 0.00 O ATOM 1371 CB GLU A 100 -10.939 5.183 0.745 1.00 0.00 C ATOM 1372 CG GLU A 100 -11.783 4.566 -0.371 1.00 0.00 C ATOM 1373 CD GLU A 100 -12.656 3.449 0.205 1.00 0.00 C ATOM 1374 OE1 GLU A 100 -12.978 3.522 1.380 1.00 0.00 O ATOM 1375 OE2 GLU A 100 -12.987 2.540 -0.538 1.00 0.00 O ATOM 0 H GLU A 100 -9.391 7.870 0.685 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.108 6.978 0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.883 4.973 0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.203 4.737 1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.409 5.330 -0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.136 4.169 -1.153 1.00 0.00 H new ATOM 1382 N GLU A 101 -12.398 6.993 2.856 1.00 0.00 N ATOM 1383 CA GLU A 101 -12.560 7.433 4.272 1.00 0.00 C ATOM 1384 C GLU A 101 -12.029 8.863 4.451 1.00 0.00 C ATOM 1385 O GLU A 101 -12.448 9.774 3.764 1.00 0.00 O ATOM 1386 CB GLU A 101 -11.737 6.429 5.082 1.00 0.00 C ATOM 1387 CG GLU A 101 -12.199 6.446 6.541 1.00 0.00 C ATOM 1388 CD GLU A 101 -13.035 5.197 6.827 1.00 0.00 C ATOM 1389 OE1 GLU A 101 -13.632 4.683 5.896 1.00 0.00 O ATOM 1390 OE2 GLU A 101 -13.063 4.776 7.972 1.00 0.00 O ATOM 0 H GLU A 101 -13.221 6.555 2.443 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.602 7.454 4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -11.852 5.428 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.678 6.679 5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.336 6.479 7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.787 7.343 6.737 1.00 0.00 H new ATOM 1397 N ASP A 102 -11.119 9.075 5.369 1.00 0.00 N ATOM 1398 CA ASP A 102 -10.579 10.449 5.582 1.00 0.00 C ATOM 1399 C ASP A 102 -9.919 10.970 4.297 1.00 0.00 C ATOM 1400 O ASP A 102 -10.467 10.855 3.219 1.00 0.00 O ATOM 1401 CB ASP A 102 -9.548 10.294 6.701 1.00 0.00 C ATOM 1402 CG ASP A 102 -10.163 9.507 7.859 1.00 0.00 C ATOM 1403 OD1 ASP A 102 -11.363 9.292 7.831 1.00 0.00 O ATOM 1404 OD2 ASP A 102 -9.423 9.133 8.754 1.00 0.00 O ATOM 0 H ASP A 102 -10.729 8.356 5.978 1.00 0.00 H new ATOM 0 HA ASP A 102 -11.358 11.166 5.842 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -8.664 9.778 6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.222 11.275 7.047 1.00 0.00 H new ATOM 1409 N PHE A 103 -8.750 11.545 4.400 1.00 0.00 N ATOM 1410 CA PHE A 103 -8.075 12.069 3.176 1.00 0.00 C ATOM 1411 C PHE A 103 -6.902 11.167 2.782 1.00 0.00 C ATOM 1412 O PHE A 103 -6.081 11.529 1.961 1.00 0.00 O ATOM 1413 CB PHE A 103 -7.577 13.467 3.554 1.00 0.00 C ATOM 1414 CG PHE A 103 -6.900 13.425 4.903 1.00 0.00 C ATOM 1415 CD1 PHE A 103 -5.547 13.081 4.998 1.00 0.00 C ATOM 1416 CD2 PHE A 103 -7.628 13.730 6.060 1.00 0.00 C ATOM 1417 CE1 PHE A 103 -4.921 13.041 6.249 1.00 0.00 C ATOM 1418 CE2 PHE A 103 -7.002 13.691 7.311 1.00 0.00 C ATOM 1419 CZ PHE A 103 -5.648 13.347 7.406 1.00 0.00 C ATOM 0 H PHE A 103 -8.236 11.674 5.272 1.00 0.00 H new ATOM 0 HA PHE A 103 -8.750 12.098 2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.880 13.831 2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -8.413 14.166 3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.986 12.846 4.106 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.672 13.995 5.987 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -3.877 12.774 6.322 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.563 13.926 8.203 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.165 13.318 8.371 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.818 9.993 3.348 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.699 9.077 2.985 1.00 0.00 C ATOM 1431 C PHE A 104 -6.176 8.059 1.945 1.00 0.00 C ATOM 1432 O PHE A 104 -7.294 8.120 1.475 1.00 0.00 O ATOM 1433 CB PHE A 104 -5.293 8.389 4.289 1.00 0.00 C ATOM 1434 CG PHE A 104 -6.460 7.614 4.853 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -6.926 6.471 4.195 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -7.067 8.035 6.042 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -8.001 5.748 4.726 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -8.143 7.314 6.572 1.00 0.00 C ATOM 1439 CZ PHE A 104 -8.609 6.170 5.914 1.00 0.00 C ATOM 0 H PHE A 104 -7.472 9.630 4.042 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.855 9.607 2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.454 7.717 4.109 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.957 9.132 5.012 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.457 6.146 3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.705 8.916 6.550 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.361 4.865 4.219 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.613 7.640 7.488 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.438 5.612 6.323 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.339 7.130 1.570 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.759 6.125 0.547 1.00 0.00 C ATOM 1451 C LEU A 105 -5.857 4.727 1.181 1.00 0.00 C ATOM 1452 O LEU A 105 -5.421 4.516 2.294 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.670 6.208 -0.543 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.665 5.058 -0.414 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -4.114 3.894 -1.297 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.283 5.535 -0.865 1.00 0.00 C ATOM 0 H LEU A 105 -4.388 7.022 1.924 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.747 6.320 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.135 6.178 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.147 7.161 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.615 4.732 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.402 3.074 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.100 3.555 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.161 4.222 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.568 4.717 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.331 5.860 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.963 6.368 -0.239 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.432 3.773 0.491 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.550 2.404 1.083 1.00 0.00 C ATOM 1470 C TYR A 106 -5.866 1.360 0.182 1.00 0.00 C ATOM 1471 O TYR A 106 -6.055 1.340 -1.017 1.00 0.00 O ATOM 1472 CB TYR A 106 -8.064 2.157 1.187 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.364 0.679 1.088 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.322 0.047 -0.159 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -8.682 -0.054 2.237 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -8.598 -1.322 -0.258 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -8.958 -1.422 2.139 1.00 0.00 C ATOM 1478 CZ TYR A 106 -8.916 -2.057 0.890 1.00 0.00 C ATOM 1479 OH TYR A 106 -9.189 -3.406 0.794 1.00 0.00 O ATOM 0 H TYR A 106 -6.821 3.880 -0.446 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.060 2.323 2.053 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.439 2.548 2.133 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.582 2.694 0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.077 0.614 -1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.714 0.436 3.199 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.566 -1.811 -1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.203 -1.989 3.025 1.00 0.00 H new ATOM 0 HH TYR A 106 -9.389 -3.763 1.684 1.00 0.00 H new ATOM 1489 N ILE A 107 -5.078 0.486 0.763 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.390 -0.564 -0.048 1.00 0.00 C ATOM 1491 C ILE A 107 -4.420 -1.909 0.688 1.00 0.00 C ATOM 1492 O ILE A 107 -4.180 -1.977 1.876 1.00 0.00 O ATOM 1493 CB ILE A 107 -2.942 -0.089 -0.188 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -2.871 1.082 -1.167 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -2.078 -1.237 -0.713 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.982 2.178 -0.576 1.00 0.00 C ATOM 0 H ILE A 107 -4.883 0.456 1.764 1.00 0.00 H new ATOM 0 HA ILE A 107 -4.874 -0.705 -1.014 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.576 0.233 0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.470 0.748 -2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.871 1.472 -1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.046 -0.900 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.120 -2.073 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.451 -1.558 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.928 3.016 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -2.403 2.517 0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.981 1.782 -0.406 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.691 -2.978 -0.010 1.00 0.00 N ATOM 1509 CA ALA A 108 -4.713 -4.321 0.647 1.00 0.00 C ATOM 1510 C ALA A 108 -4.053 -5.337 -0.287 1.00 0.00 C ATOM 1511 O ALA A 108 -4.173 -5.233 -1.484 1.00 0.00 O ATOM 1512 CB ALA A 108 -6.194 -4.647 0.847 1.00 0.00 C ATOM 0 H ALA A 108 -4.899 -2.982 -1.009 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.175 -4.343 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.291 -5.621 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.652 -3.885 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.696 -4.667 -0.120 1.00 0.00 H new ATOM 1518 N TYR A 109 -3.349 -6.311 0.228 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.693 -7.288 -0.694 1.00 0.00 C ATOM 1520 C TYR A 109 -2.985 -8.731 -0.296 1.00 0.00 C ATOM 1521 O TYR A 109 -3.539 -9.008 0.749 1.00 0.00 O ATOM 1522 CB TYR A 109 -1.190 -7.010 -0.597 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.790 -6.780 0.841 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -1.071 -5.555 1.451 1.00 0.00 C ATOM 1525 CD2 TYR A 109 -0.126 -7.785 1.562 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.693 -5.335 2.779 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.248 -7.561 2.889 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.035 -6.337 3.497 1.00 0.00 C ATOM 1529 OH TYR A 109 0.336 -6.115 4.806 1.00 0.00 O ATOM 0 H TYR A 109 -3.201 -6.472 1.224 1.00 0.00 H new ATOM 0 HA TYR A 109 -3.072 -7.168 -1.709 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.631 -7.851 -1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.936 -6.136 -1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.579 -4.779 0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.096 -8.731 1.091 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -0.910 -4.388 3.251 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.756 -8.335 3.445 1.00 0.00 H new ATOM 0 HH TYR A 109 -0.133 -5.326 5.149 1.00 0.00 H new ATOM 1539 N SER A 110 -2.610 -9.651 -1.141 1.00 0.00 N ATOM 1540 CA SER A 110 -2.851 -11.093 -0.847 1.00 0.00 C ATOM 1541 C SER A 110 -1.883 -11.963 -1.655 1.00 0.00 C ATOM 1542 O SER A 110 -1.071 -11.466 -2.411 1.00 0.00 O ATOM 1543 CB SER A 110 -4.292 -11.349 -1.284 1.00 0.00 C ATOM 1544 OG SER A 110 -4.884 -12.305 -0.415 1.00 0.00 O ATOM 0 H SER A 110 -2.144 -9.465 -2.029 1.00 0.00 H new ATOM 0 HA SER A 110 -2.695 -11.334 0.205 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.861 -10.420 -1.263 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.313 -11.712 -2.311 1.00 0.00 H new ATOM 0 HG SER A 110 -5.324 -13.002 -0.946 1.00 0.00 H new ATOM 1550 N ASP A 111 -1.964 -13.257 -1.505 1.00 0.00 N ATOM 1551 CA ASP A 111 -1.047 -14.152 -2.268 1.00 0.00 C ATOM 1552 C ASP A 111 -1.853 -15.118 -3.140 1.00 0.00 C ATOM 1553 O ASP A 111 -1.491 -16.264 -3.312 1.00 0.00 O ATOM 1554 CB ASP A 111 -0.263 -14.918 -1.200 1.00 0.00 C ATOM 1555 CG ASP A 111 -1.173 -15.961 -0.548 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -2.329 -15.648 -0.317 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -0.698 -17.055 -0.291 1.00 0.00 O ATOM 0 H ASP A 111 -2.623 -13.732 -0.889 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.389 -13.597 -2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.603 -15.405 -1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.115 -14.227 -0.446 1.00 0.00 H new ATOM 1562 N GLU A 112 -2.945 -14.664 -3.691 1.00 0.00 N ATOM 1563 CA GLU A 112 -3.773 -15.557 -4.550 1.00 0.00 C ATOM 1564 C GLU A 112 -4.091 -14.868 -5.879 1.00 0.00 C ATOM 1565 O GLU A 112 -4.116 -13.657 -5.971 1.00 0.00 O ATOM 1566 CB GLU A 112 -5.054 -15.801 -3.751 1.00 0.00 C ATOM 1567 CG GLU A 112 -4.707 -16.480 -2.424 1.00 0.00 C ATOM 1568 CD GLU A 112 -5.302 -15.676 -1.267 1.00 0.00 C ATOM 1569 OE1 GLU A 112 -6.295 -15.002 -1.489 1.00 0.00 O ATOM 1570 OE2 GLU A 112 -4.754 -15.747 -0.179 1.00 0.00 O ATOM 0 H GLU A 112 -3.300 -13.714 -3.584 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.260 -16.488 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.565 -14.856 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.739 -16.427 -4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.097 -17.498 -2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.625 -16.552 -2.312 1.00 0.00 H new ATOM 1577 N SER A 113 -4.335 -15.631 -6.909 1.00 0.00 N ATOM 1578 CA SER A 113 -4.650 -15.019 -8.233 1.00 0.00 C ATOM 1579 C SER A 113 -5.528 -15.966 -9.056 1.00 0.00 C ATOM 1580 O SER A 113 -5.452 -16.002 -10.268 1.00 0.00 O ATOM 1581 CB SER A 113 -3.295 -14.819 -8.910 1.00 0.00 C ATOM 1582 OG SER A 113 -3.088 -15.855 -9.862 1.00 0.00 O ATOM 0 H SER A 113 -4.330 -16.651 -6.892 1.00 0.00 H new ATOM 0 HA SER A 113 -5.198 -14.082 -8.136 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.261 -13.846 -9.401 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.499 -14.829 -8.166 1.00 0.00 H new ATOM 0 HG SER A 113 -3.723 -15.752 -10.601 1.00 0.00 H new ATOM 1588 N VAL A 114 -6.361 -16.732 -8.406 1.00 0.00 N ATOM 1589 CA VAL A 114 -7.244 -17.676 -9.151 1.00 0.00 C ATOM 1590 C VAL A 114 -8.005 -16.934 -10.252 1.00 0.00 C ATOM 1591 O VAL A 114 -7.898 -15.732 -10.393 1.00 0.00 O ATOM 1592 CB VAL A 114 -8.214 -18.219 -8.102 1.00 0.00 C ATOM 1593 CG1 VAL A 114 -9.203 -17.122 -7.704 1.00 0.00 C ATOM 1594 CG2 VAL A 114 -8.982 -19.408 -8.685 1.00 0.00 C ATOM 0 H VAL A 114 -6.469 -16.746 -7.392 1.00 0.00 H new ATOM 0 HA VAL A 114 -6.680 -18.472 -9.638 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.655 -18.541 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -9.895 -17.510 -6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -8.658 -16.274 -7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -9.762 -16.800 -8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -9.674 -19.796 -7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -9.540 -19.085 -9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -8.279 -20.191 -8.970 1.00 0.00 H new ATOM 1604 N TYR A 115 -8.774 -17.641 -11.035 1.00 0.00 N ATOM 1605 CA TYR A 115 -9.541 -16.976 -12.127 1.00 0.00 C ATOM 1606 C TYR A 115 -10.784 -16.288 -11.557 1.00 0.00 C ATOM 1607 O TYR A 115 -11.494 -16.844 -10.743 1.00 0.00 O ATOM 1608 CB TYR A 115 -9.940 -18.106 -13.076 1.00 0.00 C ATOM 1609 CG TYR A 115 -10.751 -17.542 -14.216 1.00 0.00 C ATOM 1610 CD1 TYR A 115 -12.127 -17.337 -14.061 1.00 0.00 C ATOM 1611 CD2 TYR A 115 -10.128 -17.224 -15.429 1.00 0.00 C ATOM 1612 CE1 TYR A 115 -12.880 -16.813 -15.118 1.00 0.00 C ATOM 1613 CE2 TYR A 115 -10.881 -16.699 -16.486 1.00 0.00 C ATOM 1614 CZ TYR A 115 -12.257 -16.494 -16.331 1.00 0.00 C ATOM 1615 OH TYR A 115 -12.999 -15.977 -17.373 1.00 0.00 O ATOM 0 H TYR A 115 -8.904 -18.650 -10.966 1.00 0.00 H new ATOM 0 HA TYR A 115 -8.957 -16.207 -12.633 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -9.050 -18.604 -13.460 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -10.520 -18.858 -12.540 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -12.608 -17.583 -13.126 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -9.067 -17.384 -15.549 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -13.942 -16.655 -14.998 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -10.400 -16.452 -17.421 1.00 0.00 H new ATOM 0 HH TYR A 115 -12.413 -15.810 -18.141 1.00 0.00 H new ATOM 1625 N GLY A 116 -11.054 -15.082 -11.979 1.00 0.00 N ATOM 1626 CA GLY A 116 -12.251 -14.361 -11.461 1.00 0.00 C ATOM 1627 C GLY A 116 -12.604 -13.212 -12.406 1.00 0.00 C ATOM 1628 O GLY A 116 -12.282 -13.237 -13.576 1.00 0.00 O ATOM 0 H GLY A 116 -10.497 -14.566 -12.660 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -13.093 -15.047 -11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -12.052 -13.975 -10.461 1.00 0.00 H new ATOM 1632 N LEU A 117 -13.262 -12.201 -11.906 1.00 0.00 N ATOM 1633 CA LEU A 117 -13.634 -11.050 -12.777 1.00 0.00 C ATOM 1634 C LEU A 117 -12.572 -9.951 -12.684 1.00 0.00 C ATOM 1635 O LEU A 117 -11.409 -10.289 -12.536 1.00 0.00 O ATOM 1636 CB LEU A 117 -14.972 -10.552 -12.228 1.00 0.00 C ATOM 1637 CG LEU A 117 -14.771 -10.001 -10.816 1.00 0.00 C ATOM 1638 CD1 LEU A 117 -15.424 -8.622 -10.707 1.00 0.00 C ATOM 1639 CD2 LEU A 117 -15.417 -10.951 -9.803 1.00 0.00 C ATOM 1640 OXT LEU A 117 -12.941 -8.791 -12.761 1.00 0.00 O ATOM 0 H LEU A 117 -13.558 -12.123 -10.933 1.00 0.00 H new ATOM 0 HA LEU A 117 -13.706 -11.334 -13.827 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -15.378 -9.777 -12.878 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -15.696 -11.366 -12.212 1.00 0.00 H new ATOM 0 HG LEU A 117 -13.704 -9.915 -10.608 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -15.280 -8.230 -9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -14.967 -7.945 -11.429 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -16.491 -8.707 -10.914 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -15.275 -10.560 -8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -16.483 -11.036 -10.012 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -14.953 -11.934 -9.879 1.00 0.00 H new TER 1652 LEU A 117