USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 714 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 ASN : amide:sc= -0.0769 X(o=-0.077,f=-0.021) USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 70 TYR OH : rot 60:sc= 0.0101 USER MOD Set 2.2: A 88 TYR OH : rot 167:sc= 1.26 USER MOD Set 3.1: A 61 ASN : amide:sc= -0.215 X(o=-0.35,f=-0.14) USER MOD Set 3.2: A 73 SER OG : rot 180:sc= -0.136 USER MOD Single : A 9 HIS : no HE2:sc= -2.55! C(o=-2.6!,f=-2.7!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.63 F(o=-2.8!,f=-0.63) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -54:sc= 1.03 USER MOD Single : A 49 GLN : amide:sc= -0.0903 K(o=-0.09,f=-1.5!) USER MOD Single : A 56 LYS NZ :NH3+ -124:sc= 1.17 (180deg=-0.434) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= -0.153 (180deg=-0.271) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -36:sc= 0.152 USER MOD Single : A 78 MET CE :methyl 140:sc= -0.331 (180deg=-3.18!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 33:sc= 1.26 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.045) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.995 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 76 N HIS A 9 19.876 3.352 -2.449 1.00 0.00 N ATOM 77 CA HIS A 9 18.526 3.690 -2.013 1.00 0.00 C ATOM 78 C HIS A 9 18.269 3.183 -0.597 1.00 0.00 C ATOM 79 O HIS A 9 18.693 2.086 -0.233 1.00 0.00 O ATOM 80 CB HIS A 9 17.494 3.097 -2.974 1.00 0.00 C ATOM 81 CG HIS A 9 17.625 1.616 -3.154 1.00 0.00 C ATOM 82 ND1 HIS A 9 18.387 1.044 -4.152 1.00 0.00 N ATOM 83 CD2 HIS A 9 17.089 0.588 -2.457 1.00 0.00 C ATOM 84 CE1 HIS A 9 18.311 -0.272 -4.061 1.00 0.00 C ATOM 85 NE2 HIS A 9 17.530 -0.575 -3.040 1.00 0.00 N ATOM 0 HA HIS A 9 18.432 4.776 -2.014 1.00 0.00 H new ATOM 0 HB2 HIS A 9 16.494 3.323 -2.604 1.00 0.00 H new ATOM 0 HB3 HIS A 9 17.592 3.583 -3.945 1.00 0.00 H new ATOM 0 HD1 HIS A 9 18.925 1.557 -4.851 1.00 0.00 H new ATOM 0 HD2 HIS A 9 16.435 0.667 -1.601 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.804 -0.980 -4.711 1.00 0.00 H new ATOM 94 N ASP A 10 17.574 3.990 0.197 1.00 0.00 N ATOM 95 CA ASP A 10 17.261 3.624 1.574 1.00 0.00 C ATOM 96 C ASP A 10 15.755 3.654 1.815 1.00 0.00 C ATOM 97 O ASP A 10 15.175 4.714 2.048 1.00 0.00 O ATOM 98 CB ASP A 10 17.965 4.569 2.548 1.00 0.00 C ATOM 99 CG ASP A 10 19.432 4.232 2.725 1.00 0.00 C ATOM 100 OD1 ASP A 10 20.181 4.301 1.728 1.00 0.00 O ATOM 101 OD2 ASP A 10 19.832 3.897 3.860 1.00 0.00 O ATOM 0 H ASP A 10 17.217 4.902 -0.089 1.00 0.00 H new ATOM 0 HA ASP A 10 17.618 2.608 1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 10 17.872 5.593 2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.466 4.526 3.516 1.00 0.00 H new ATOM 106 N ALA A 11 15.128 2.483 1.756 1.00 0.00 N ATOM 107 CA ALA A 11 13.690 2.375 1.969 1.00 0.00 C ATOM 108 C ALA A 11 13.307 2.833 3.372 1.00 0.00 C ATOM 109 O ALA A 11 12.240 3.411 3.577 1.00 0.00 O ATOM 110 CB ALA A 11 13.228 0.945 1.733 1.00 0.00 C ATOM 0 H ALA A 11 15.594 1.596 1.562 1.00 0.00 H new ATOM 0 HA ALA A 11 13.191 3.029 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.152 0.879 1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.459 0.652 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.741 0.278 2.425 1.00 0.00 H new ATOM 116 N SER A 12 14.184 2.569 4.336 1.00 0.00 N ATOM 117 CA SER A 12 13.935 2.950 5.721 1.00 0.00 C ATOM 118 C SER A 12 13.643 4.443 5.830 1.00 0.00 C ATOM 119 O SER A 12 13.154 4.920 6.855 1.00 0.00 O ATOM 120 CB SER A 12 15.138 2.589 6.595 1.00 0.00 C ATOM 121 OG SER A 12 16.249 3.418 6.301 1.00 0.00 O ATOM 0 H SER A 12 15.073 2.093 4.183 1.00 0.00 H new ATOM 0 HA SER A 12 13.061 2.400 6.072 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.871 2.692 7.647 1.00 0.00 H new ATOM 0 HB3 SER A 12 15.407 1.545 6.436 1.00 0.00 H new ATOM 0 HG SER A 12 17.004 3.168 6.874 1.00 0.00 H new ATOM 127 N LYS A 13 13.945 5.178 4.765 1.00 0.00 N ATOM 128 CA LYS A 13 13.714 6.618 4.737 1.00 0.00 C ATOM 129 C LYS A 13 12.394 6.944 4.046 1.00 0.00 C ATOM 130 O LYS A 13 12.208 8.046 3.531 1.00 0.00 O ATOM 131 CB LYS A 13 14.866 7.326 4.021 1.00 0.00 C ATOM 132 CG LYS A 13 16.231 7.020 4.613 1.00 0.00 C ATOM 133 CD LYS A 13 16.613 8.028 5.684 1.00 0.00 C ATOM 134 CE LYS A 13 16.194 7.556 7.068 1.00 0.00 C ATOM 135 NZ LYS A 13 16.161 8.676 8.049 1.00 0.00 N ATOM 0 H LYS A 13 14.351 4.800 3.909 1.00 0.00 H new ATOM 0 HA LYS A 13 13.662 6.973 5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.862 7.036 2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.697 8.402 4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 13 16.227 6.017 5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.981 7.026 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.691 8.190 5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.142 8.987 5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.209 7.094 7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.886 6.789 7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.871 8.314 8.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.107 9.101 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.482 9.396 7.731 1.00 0.00 H new ATOM 149 N VAL A 14 11.480 5.979 4.041 1.00 0.00 N ATOM 150 CA VAL A 14 10.176 6.165 3.415 1.00 0.00 C ATOM 151 C VAL A 14 9.075 6.277 4.464 1.00 0.00 C ATOM 152 O VAL A 14 8.947 5.420 5.338 1.00 0.00 O ATOM 153 CB VAL A 14 9.842 5.005 2.458 1.00 0.00 C ATOM 154 CG1 VAL A 14 8.445 5.174 1.881 1.00 0.00 C ATOM 155 CG2 VAL A 14 10.879 4.916 1.348 1.00 0.00 C ATOM 0 H VAL A 14 11.618 5.061 4.463 1.00 0.00 H new ATOM 0 HA VAL A 14 10.227 7.093 2.845 1.00 0.00 H new ATOM 0 HB VAL A 14 9.865 4.073 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.227 4.345 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.716 5.185 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.390 6.113 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.628 4.091 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.889 5.849 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.864 4.744 1.783 1.00 0.00 H new ATOM 165 N ARG A 15 8.282 7.339 4.369 1.00 0.00 N ATOM 166 CA ARG A 15 7.191 7.564 5.310 1.00 0.00 C ATOM 167 C ARG A 15 5.893 6.947 4.795 1.00 0.00 C ATOM 168 O ARG A 15 5.691 6.820 3.588 1.00 0.00 O ATOM 169 CB ARG A 15 6.996 9.063 5.548 1.00 0.00 C ATOM 170 CG ARG A 15 5.743 9.395 6.342 1.00 0.00 C ATOM 171 CD ARG A 15 5.936 9.128 7.826 1.00 0.00 C ATOM 172 NE ARG A 15 6.453 10.298 8.530 1.00 0.00 N ATOM 173 CZ ARG A 15 5.701 11.337 8.879 1.00 0.00 C ATOM 174 NH1 ARG A 15 4.407 11.349 8.591 1.00 0.00 N ATOM 175 NH2 ARG A 15 6.244 12.365 9.518 1.00 0.00 N ATOM 0 H ARG A 15 8.374 8.057 3.650 1.00 0.00 H new ATOM 0 HA ARG A 15 7.453 7.084 6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.865 9.455 6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.952 9.573 4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.482 10.442 6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.908 8.802 5.970 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.985 8.830 8.267 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.624 8.293 7.958 1.00 0.00 H new ATOM 0 HE ARG A 15 7.445 10.319 8.767 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.986 10.560 8.101 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.832 12.147 8.860 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.239 12.358 9.742 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.666 13.162 9.785 1.00 0.00 H new ATOM 189 N ALA A 16 5.019 6.565 5.720 1.00 0.00 N ATOM 190 CA ALA A 16 3.741 5.962 5.361 1.00 0.00 C ATOM 191 C ALA A 16 2.626 6.453 6.278 1.00 0.00 C ATOM 192 O ALA A 16 2.632 6.183 7.478 1.00 0.00 O ATOM 193 CB ALA A 16 3.840 4.445 5.412 1.00 0.00 C ATOM 0 H ALA A 16 5.172 6.662 6.724 1.00 0.00 H new ATOM 0 HA ALA A 16 3.498 6.265 4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.879 4.008 5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.602 4.106 4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.110 4.132 6.420 1.00 0.00 H new ATOM 199 N SER A 17 1.670 7.177 5.704 1.00 0.00 N ATOM 200 CA SER A 17 0.549 7.709 6.471 1.00 0.00 C ATOM 201 C SER A 17 -0.663 7.939 5.573 1.00 0.00 C ATOM 202 O SER A 17 -0.525 8.297 4.404 1.00 0.00 O ATOM 203 CB SER A 17 0.948 9.019 7.154 1.00 0.00 C ATOM 204 OG SER A 17 0.231 9.203 8.362 1.00 0.00 O ATOM 0 H SER A 17 1.649 7.409 4.711 1.00 0.00 H new ATOM 0 HA SER A 17 0.281 6.977 7.233 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.018 9.014 7.360 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.756 9.856 6.483 1.00 0.00 H new ATOM 0 HG SER A 17 0.505 10.046 8.780 1.00 0.00 H new ATOM 210 N GLY A 18 -1.852 7.730 6.131 1.00 0.00 N ATOM 211 CA GLY A 18 -3.072 7.919 5.368 1.00 0.00 C ATOM 212 C GLY A 18 -4.166 6.952 5.776 1.00 0.00 C ATOM 213 O GLY A 18 -4.012 6.165 6.709 1.00 0.00 O ATOM 0 H GLY A 18 -1.992 7.433 7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.426 8.941 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.857 7.793 4.307 1.00 0.00 H new ATOM 217 N PRO A 19 -5.303 7.006 5.066 1.00 0.00 N ATOM 218 CA PRO A 19 -6.450 6.136 5.342 1.00 0.00 C ATOM 219 C PRO A 19 -6.176 4.681 4.976 1.00 0.00 C ATOM 220 O PRO A 19 -6.562 3.765 5.701 1.00 0.00 O ATOM 221 CB PRO A 19 -7.555 6.712 4.453 1.00 0.00 C ATOM 222 CG PRO A 19 -6.831 7.391 3.342 1.00 0.00 C ATOM 223 CD PRO A 19 -5.557 7.920 3.940 1.00 0.00 C ATOM 0 HA PRO A 19 -6.702 6.119 6.402 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.210 5.926 4.077 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.182 7.413 5.004 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.621 6.695 2.530 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.430 8.199 2.922 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.739 7.907 3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.669 8.951 4.277 1.00 0.00 H new ATOM 231 N GLY A 20 -5.505 4.477 3.846 1.00 0.00 N ATOM 232 CA GLY A 20 -5.190 3.131 3.404 1.00 0.00 C ATOM 233 C GLY A 20 -4.275 2.403 4.369 1.00 0.00 C ATOM 234 O GLY A 20 -4.337 1.179 4.493 1.00 0.00 O ATOM 0 H GLY A 20 -5.174 5.219 3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.114 2.565 3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.717 3.175 2.423 1.00 0.00 H new ATOM 238 N LEU A 21 -3.420 3.156 5.053 1.00 0.00 N ATOM 239 CA LEU A 21 -2.486 2.575 6.011 1.00 0.00 C ATOM 240 C LEU A 21 -3.031 2.674 7.432 1.00 0.00 C ATOM 241 O LEU A 21 -2.270 2.777 8.393 1.00 0.00 O ATOM 242 CB LEU A 21 -1.131 3.278 5.922 1.00 0.00 C ATOM 243 CG LEU A 21 -0.497 3.340 4.532 1.00 0.00 C ATOM 244 CD1 LEU A 21 0.586 4.408 4.487 1.00 0.00 C ATOM 245 CD2 LEU A 21 0.073 1.984 4.145 1.00 0.00 C ATOM 0 H LEU A 21 -3.354 4.170 4.962 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.359 1.521 5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.248 4.297 6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.437 2.773 6.594 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.271 3.605 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.026 4.438 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.149 5.379 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.359 4.173 5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.520 2.047 3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.834 1.689 4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.726 1.243 4.136 1.00 0.00 H new ATOM 257 N ASN A 22 -4.354 2.640 7.557 1.00 0.00 N ATOM 258 CA ASN A 22 -5.001 2.724 8.861 1.00 0.00 C ATOM 259 C ASN A 22 -4.864 1.409 9.623 1.00 0.00 C ATOM 260 O ASN A 22 -5.338 0.367 9.171 1.00 0.00 O ATOM 261 CB ASN A 22 -6.480 3.080 8.698 1.00 0.00 C ATOM 262 CG ASN A 22 -7.104 3.570 9.991 1.00 0.00 C ATOM 263 OD1 ASN A 22 -8.143 2.880 10.444 1.00 0.00 O flip ATOM 264 ND2 ASN A 22 -6.655 4.557 10.574 1.00 0.00 N flip ATOM 0 H ASN A 22 -4.999 2.555 6.771 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.506 3.508 9.434 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.583 3.850 7.934 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.025 2.205 8.344 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.854 5.057 10.188 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.084 4.875 11.443 1.00 0.00 H new ATOM 271 N ALA A 23 -4.214 1.467 10.780 1.00 0.00 N ATOM 272 CA ALA A 23 -4.016 0.282 11.605 1.00 0.00 C ATOM 273 C ALA A 23 -5.276 -0.051 12.398 1.00 0.00 C ATOM 274 O ALA A 23 -5.505 -1.204 12.763 1.00 0.00 O ATOM 275 CB ALA A 23 -2.837 0.484 12.545 1.00 0.00 C ATOM 0 H ALA A 23 -3.815 2.322 11.167 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.800 -0.558 10.945 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.701 -0.409 13.155 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.934 0.666 11.962 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.030 1.340 13.192 1.00 0.00 H new ATOM 281 N SER A 24 -6.090 0.966 12.661 1.00 0.00 N ATOM 282 CA SER A 24 -7.325 0.782 13.414 1.00 0.00 C ATOM 283 C SER A 24 -8.362 0.032 12.583 1.00 0.00 C ATOM 284 O SER A 24 -9.269 -0.599 13.124 1.00 0.00 O ATOM 285 CB SER A 24 -7.888 2.136 13.851 1.00 0.00 C ATOM 286 OG SER A 24 -8.657 2.010 15.034 1.00 0.00 O ATOM 0 H SER A 24 -5.917 1.926 12.364 1.00 0.00 H new ATOM 0 HA SER A 24 -7.096 0.189 14.299 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.070 2.837 14.018 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.506 2.551 13.054 1.00 0.00 H new ATOM 0 HG SER A 24 -9.004 2.889 15.294 1.00 0.00 H new ATOM 292 N GLY A 25 -8.219 0.106 11.264 1.00 0.00 N ATOM 293 CA GLY A 25 -9.149 -0.570 10.378 1.00 0.00 C ATOM 294 C GLY A 25 -9.746 0.363 9.343 1.00 0.00 C ATOM 295 O GLY A 25 -10.143 1.484 9.664 1.00 0.00 O ATOM 0 H GLY A 25 -7.476 0.622 10.793 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.635 -1.388 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.951 -1.014 10.968 1.00 0.00 H new ATOM 299 N ILE A 26 -9.810 -0.099 8.099 1.00 0.00 N ATOM 300 CA ILE A 26 -10.362 0.703 7.014 1.00 0.00 C ATOM 301 C ILE A 26 -11.671 0.111 6.505 1.00 0.00 C ATOM 302 O ILE A 26 -11.855 -1.106 6.459 1.00 0.00 O ATOM 303 CB ILE A 26 -9.373 0.820 5.840 1.00 0.00 C ATOM 304 CG1 ILE A 26 -9.034 -0.568 5.290 1.00 0.00 C ATOM 305 CG2 ILE A 26 -8.109 1.543 6.282 1.00 0.00 C ATOM 306 CD1 ILE A 26 -8.707 -0.569 3.813 1.00 0.00 C ATOM 0 H ILE A 26 -9.487 -1.024 7.817 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.549 1.697 7.420 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.842 1.401 5.046 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.185 -0.971 5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.877 -1.236 5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.420 1.618 5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.365 2.543 6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.635 0.987 7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.477 -1.585 3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.563 -0.196 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.845 0.073 3.631 1.00 0.00 H new ATOM 318 N PRO A 27 -12.604 0.989 6.109 1.00 0.00 N ATOM 319 CA PRO A 27 -13.913 0.576 5.593 1.00 0.00 C ATOM 320 C PRO A 27 -13.813 -0.083 4.221 1.00 0.00 C ATOM 321 O PRO A 27 -13.565 0.584 3.218 1.00 0.00 O ATOM 322 CB PRO A 27 -14.688 1.893 5.498 1.00 0.00 C ATOM 323 CG PRO A 27 -13.639 2.940 5.349 1.00 0.00 C ATOM 324 CD PRO A 27 -12.454 2.454 6.135 1.00 0.00 C ATOM 0 HA PRO A 27 -14.387 -0.169 6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -15.369 1.891 4.647 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -15.292 2.062 6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.379 3.085 4.301 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.990 3.901 5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.514 2.770 5.682 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.462 2.841 7.154 1.00 0.00 H new ATOM 332 N ALA A 28 -14.007 -1.398 4.186 1.00 0.00 N ATOM 333 CA ALA A 28 -13.941 -2.147 2.938 1.00 0.00 C ATOM 334 C ALA A 28 -14.956 -1.621 1.928 1.00 0.00 C ATOM 335 O ALA A 28 -15.742 -0.725 2.233 1.00 0.00 O ATOM 336 CB ALA A 28 -14.171 -3.628 3.198 1.00 0.00 C ATOM 0 H ALA A 28 -14.211 -1.966 5.008 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.945 -2.014 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.119 -4.175 2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.405 -4.001 3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.154 -3.770 3.646 1.00 0.00 H new ATOM 342 N SER A 29 -14.932 -2.184 0.724 1.00 0.00 N ATOM 343 CA SER A 29 -15.847 -1.769 -0.332 1.00 0.00 C ATOM 344 C SER A 29 -15.766 -0.263 -0.560 1.00 0.00 C ATOM 345 O SER A 29 -16.784 0.404 -0.748 1.00 0.00 O ATOM 346 CB SER A 29 -17.282 -2.166 0.022 1.00 0.00 C ATOM 347 OG SER A 29 -17.477 -3.561 -0.131 1.00 0.00 O ATOM 0 H SER A 29 -14.289 -2.929 0.456 1.00 0.00 H new ATOM 0 HA SER A 29 -15.554 -2.275 -1.252 1.00 0.00 H new ATOM 0 HB2 SER A 29 -17.500 -1.876 1.050 1.00 0.00 H new ATOM 0 HB3 SER A 29 -17.980 -1.626 -0.617 1.00 0.00 H new ATOM 0 HG SER A 29 -18.401 -3.790 0.103 1.00 0.00 H new ATOM 353 N LEU A 30 -14.548 0.267 -0.541 1.00 0.00 N ATOM 354 CA LEU A 30 -14.332 1.695 -0.746 1.00 0.00 C ATOM 355 C LEU A 30 -12.906 1.968 -1.213 1.00 0.00 C ATOM 356 O LEU A 30 -11.940 1.400 -0.704 1.00 0.00 O ATOM 357 CB LEU A 30 -14.614 2.464 0.546 1.00 0.00 C ATOM 358 CG LEU A 30 -14.282 3.957 0.525 1.00 0.00 C ATOM 359 CD1 LEU A 30 -15.487 4.764 0.068 1.00 0.00 C ATOM 360 CD2 LEU A 30 -13.817 4.419 1.897 1.00 0.00 C ATOM 0 H LEU A 30 -13.695 -0.270 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.020 2.034 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.670 2.351 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -14.049 1.998 1.353 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.471 4.120 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.233 5.824 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.775 4.451 -0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -16.318 4.596 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.585 5.484 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.607 4.243 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.925 3.862 2.185 1.00 0.00 H new ATOM 372 N PRO A 31 -12.768 2.861 -2.204 1.00 0.00 N ATOM 373 CA PRO A 31 -11.463 3.233 -2.760 1.00 0.00 C ATOM 374 C PRO A 31 -10.626 4.046 -1.779 1.00 0.00 C ATOM 375 O PRO A 31 -10.850 5.243 -1.599 1.00 0.00 O ATOM 376 CB PRO A 31 -11.826 4.079 -3.982 1.00 0.00 C ATOM 377 CG PRO A 31 -13.176 4.629 -3.675 1.00 0.00 C ATOM 378 CD PRO A 31 -13.876 3.578 -2.859 1.00 0.00 C ATOM 0 HA PRO A 31 -10.856 2.359 -2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -11.100 4.877 -4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.841 3.476 -4.890 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -13.099 5.565 -3.122 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.727 4.844 -4.590 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -14.555 4.021 -2.130 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -14.471 2.913 -3.485 1.00 0.00 H new ATOM 386 N VAL A 32 -9.659 3.388 -1.146 1.00 0.00 N ATOM 387 CA VAL A 32 -8.787 4.051 -0.184 1.00 0.00 C ATOM 388 C VAL A 32 -7.389 4.251 -0.757 1.00 0.00 C ATOM 389 O VAL A 32 -6.876 3.397 -1.480 1.00 0.00 O ATOM 390 CB VAL A 32 -8.683 3.247 1.126 1.00 0.00 C ATOM 391 CG1 VAL A 32 -7.853 1.990 0.916 1.00 0.00 C ATOM 392 CG2 VAL A 32 -8.091 4.107 2.233 1.00 0.00 C ATOM 0 H VAL A 32 -9.460 2.397 -1.282 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.232 5.023 0.029 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.686 2.946 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.790 1.435 1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.323 1.367 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.850 2.266 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.025 3.523 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.095 4.440 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.729 4.975 2.400 1.00 0.00 H new ATOM 402 N GLU A 33 -6.777 5.385 -0.429 1.00 0.00 N ATOM 403 CA GLU A 33 -5.437 5.697 -0.912 1.00 0.00 C ATOM 404 C GLU A 33 -4.599 6.343 0.187 1.00 0.00 C ATOM 405 O GLU A 33 -5.112 7.102 1.009 1.00 0.00 O ATOM 406 CB GLU A 33 -5.512 6.628 -2.124 1.00 0.00 C ATOM 407 CG GLU A 33 -6.593 7.690 -2.011 1.00 0.00 C ATOM 408 CD GLU A 33 -6.395 8.599 -0.813 1.00 0.00 C ATOM 409 OE1 GLU A 33 -5.618 9.570 -0.929 1.00 0.00 O ATOM 410 OE2 GLU A 33 -7.015 8.340 0.239 1.00 0.00 O ATOM 0 H GLU A 33 -7.188 6.102 0.169 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.959 4.763 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.547 7.117 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.692 6.032 -3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.603 8.291 -2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.567 7.206 -1.938 1.00 0.00 H new ATOM 417 N PHE A 34 -3.306 6.034 0.196 1.00 0.00 N ATOM 418 CA PHE A 34 -2.396 6.582 1.195 1.00 0.00 C ATOM 419 C PHE A 34 -1.355 7.488 0.543 1.00 0.00 C ATOM 420 O PHE A 34 -1.383 7.717 -0.666 1.00 0.00 O ATOM 421 CB PHE A 34 -1.700 5.451 1.956 1.00 0.00 C ATOM 422 CG PHE A 34 -1.148 4.378 1.062 1.00 0.00 C ATOM 423 CD1 PHE A 34 -1.985 3.425 0.503 1.00 0.00 C ATOM 424 CD2 PHE A 34 0.207 4.322 0.780 1.00 0.00 C ATOM 425 CE1 PHE A 34 -1.480 2.436 -0.320 1.00 0.00 C ATOM 426 CE2 PHE A 34 0.718 3.335 -0.043 1.00 0.00 C ATOM 427 CZ PHE A 34 -0.127 2.391 -0.593 1.00 0.00 C ATOM 0 H PHE A 34 -2.865 5.407 -0.477 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.981 7.177 1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.889 5.870 2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.408 5.003 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.044 3.456 0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.872 5.058 1.208 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.143 1.699 -0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.776 3.302 -0.255 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.270 1.619 -1.236 1.00 0.00 H new ATOM 437 N THR A 35 -0.437 8.003 1.355 1.00 0.00 N ATOM 438 CA THR A 35 0.612 8.885 0.860 1.00 0.00 C ATOM 439 C THR A 35 1.986 8.429 1.339 1.00 0.00 C ATOM 440 O THR A 35 2.229 8.320 2.541 1.00 0.00 O ATOM 441 CB THR A 35 0.381 10.340 1.309 1.00 0.00 C ATOM 442 OG1 THR A 35 -0.872 10.815 0.805 1.00 0.00 O ATOM 443 CG2 THR A 35 1.505 11.242 0.822 1.00 0.00 C ATOM 0 H THR A 35 -0.399 7.824 2.358 1.00 0.00 H new ATOM 0 HA THR A 35 0.576 8.838 -0.228 1.00 0.00 H new ATOM 0 HB THR A 35 0.366 10.363 2.399 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.012 11.740 1.096 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.320 12.264 1.151 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.454 10.895 1.232 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.548 11.214 -0.267 1.00 0.00 H new ATOM 451 N ILE A 36 2.880 8.165 0.393 1.00 0.00 N ATOM 452 CA ILE A 36 4.230 7.723 0.720 1.00 0.00 C ATOM 453 C ILE A 36 5.240 8.848 0.519 1.00 0.00 C ATOM 454 O ILE A 36 5.829 8.984 -0.553 1.00 0.00 O ATOM 455 CB ILE A 36 4.649 6.514 -0.136 1.00 0.00 C ATOM 456 CG1 ILE A 36 3.625 5.384 0.002 1.00 0.00 C ATOM 457 CG2 ILE A 36 6.034 6.033 0.268 1.00 0.00 C ATOM 458 CD1 ILE A 36 3.559 4.796 1.394 1.00 0.00 C ATOM 0 H ILE A 36 2.694 8.249 -0.606 1.00 0.00 H new ATOM 0 HA ILE A 36 4.220 7.429 1.770 1.00 0.00 H new ATOM 0 HB ILE A 36 4.684 6.822 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.640 5.762 -0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.871 4.593 -0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.316 5.178 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.755 6.837 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.025 5.739 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.813 4.001 1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.533 4.388 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.283 5.575 2.105 1.00 0.00 H new ATOM 470 N ASP A 37 5.438 9.650 1.560 1.00 0.00 N ATOM 471 CA ASP A 37 6.379 10.762 1.500 1.00 0.00 C ATOM 472 C ASP A 37 7.807 10.278 1.733 1.00 0.00 C ATOM 473 O ASP A 37 8.211 10.029 2.868 1.00 0.00 O ATOM 474 CB ASP A 37 6.013 11.825 2.536 1.00 0.00 C ATOM 475 CG ASP A 37 4.602 12.350 2.353 1.00 0.00 C ATOM 476 OD1 ASP A 37 4.071 12.243 1.228 1.00 0.00 O ATOM 477 OD2 ASP A 37 4.030 12.870 3.334 1.00 0.00 O ATOM 0 H ASP A 37 4.959 9.550 2.455 1.00 0.00 H new ATOM 0 HA ASP A 37 6.321 11.201 0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.114 11.403 3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.718 12.654 2.467 1.00 0.00 H new ATOM 482 N ALA A 38 8.566 10.146 0.650 1.00 0.00 N ATOM 483 CA ALA A 38 9.948 9.692 0.736 1.00 0.00 C ATOM 484 C ALA A 38 10.886 10.646 0.004 1.00 0.00 C ATOM 485 O ALA A 38 10.785 10.820 -1.211 1.00 0.00 O ATOM 486 CB ALA A 38 10.079 8.285 0.173 1.00 0.00 C ATOM 0 H ALA A 38 8.247 10.347 -0.298 1.00 0.00 H new ATOM 0 HA ALA A 38 10.234 9.678 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.117 7.960 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.446 7.605 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.768 8.281 -0.872 1.00 0.00 H new ATOM 492 N ARG A 39 11.797 11.262 0.750 1.00 0.00 N ATOM 493 CA ARG A 39 12.752 12.200 0.171 1.00 0.00 C ATOM 494 C ARG A 39 14.064 11.500 -0.169 1.00 0.00 C ATOM 495 O ARG A 39 14.505 11.510 -1.319 1.00 0.00 O ATOM 496 CB ARG A 39 13.014 13.356 1.138 1.00 0.00 C ATOM 497 CG ARG A 39 11.753 14.090 1.566 1.00 0.00 C ATOM 498 CD ARG A 39 11.188 13.519 2.857 1.00 0.00 C ATOM 499 NE ARG A 39 12.084 13.734 3.990 1.00 0.00 N ATOM 500 CZ ARG A 39 11.774 13.423 5.243 1.00 0.00 C ATOM 501 NH1 ARG A 39 10.595 12.884 5.523 1.00 0.00 N ATOM 502 NH2 ARG A 39 12.643 13.649 6.219 1.00 0.00 N ATOM 0 H ARG A 39 11.894 11.129 1.757 1.00 0.00 H new ATOM 0 HA ARG A 39 12.322 12.595 -0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 39 13.518 12.970 2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 39 13.695 14.065 0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.975 15.149 1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.004 14.020 0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.223 13.981 3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.010 12.451 2.733 1.00 0.00 H new ATOM 0 HE ARG A 39 12.999 14.146 3.809 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.924 12.708 4.775 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.359 12.646 6.486 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.551 14.062 6.008 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.403 13.409 7.181 1.00 0.00 H new ATOM 516 N ASP A 40 14.683 10.894 0.838 1.00 0.00 N ATOM 517 CA ASP A 40 15.945 10.188 0.646 1.00 0.00 C ATOM 518 C ASP A 40 15.716 8.684 0.544 1.00 0.00 C ATOM 519 O ASP A 40 16.542 7.888 0.992 1.00 0.00 O ATOM 520 CB ASP A 40 16.905 10.494 1.797 1.00 0.00 C ATOM 521 CG ASP A 40 17.532 11.869 1.677 1.00 0.00 C ATOM 522 OD1 ASP A 40 16.782 12.868 1.701 1.00 0.00 O ATOM 523 OD2 ASP A 40 18.773 11.947 1.562 1.00 0.00 O ATOM 0 H ASP A 40 14.332 10.877 1.795 1.00 0.00 H new ATOM 0 HA ASP A 40 16.388 10.534 -0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 40 16.368 10.424 2.743 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.692 9.740 1.821 1.00 0.00 H new ATOM 528 N ALA A 41 14.589 8.300 -0.046 1.00 0.00 N ATOM 529 CA ALA A 41 14.252 6.891 -0.207 1.00 0.00 C ATOM 530 C ALA A 41 15.201 6.208 -1.187 1.00 0.00 C ATOM 531 O ALA A 41 15.329 4.985 -1.191 1.00 0.00 O ATOM 532 CB ALA A 41 12.812 6.743 -0.675 1.00 0.00 C ATOM 0 H ALA A 41 13.894 8.945 -0.421 1.00 0.00 H new ATOM 0 HA ALA A 41 14.360 6.404 0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.574 5.686 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.143 7.187 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.686 7.250 -1.632 1.00 0.00 H new ATOM 538 N GLY A 42 15.864 7.008 -2.017 1.00 0.00 N ATOM 539 CA GLY A 42 16.792 6.462 -2.990 1.00 0.00 C ATOM 540 C GLY A 42 16.462 6.887 -4.407 1.00 0.00 C ATOM 541 O GLY A 42 15.446 7.539 -4.646 1.00 0.00 O ATOM 0 H GLY A 42 15.775 8.024 -2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.804 6.784 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.780 5.374 -2.928 1.00 0.00 H new ATOM 545 N GLU A 43 17.324 6.518 -5.350 1.00 0.00 N ATOM 546 CA GLU A 43 17.120 6.868 -6.750 1.00 0.00 C ATOM 547 C GLU A 43 16.586 5.674 -7.537 1.00 0.00 C ATOM 548 O GLU A 43 17.305 5.069 -8.332 1.00 0.00 O ATOM 549 CB GLU A 43 18.428 7.359 -7.373 1.00 0.00 C ATOM 550 CG GLU A 43 18.299 7.746 -8.836 1.00 0.00 C ATOM 551 CD GLU A 43 19.535 8.446 -9.366 1.00 0.00 C ATOM 552 OE1 GLU A 43 20.643 8.148 -8.873 1.00 0.00 O ATOM 553 OE2 GLU A 43 19.394 9.290 -10.275 1.00 0.00 O ATOM 0 H GLU A 43 18.170 5.977 -5.169 1.00 0.00 H new ATOM 0 HA GLU A 43 16.383 7.670 -6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.788 8.219 -6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 43 19.182 6.577 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.110 6.851 -9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.435 8.399 -8.960 1.00 0.00 H new ATOM 560 N GLY A 44 15.320 5.341 -7.309 1.00 0.00 N ATOM 561 CA GLY A 44 14.711 4.221 -8.002 1.00 0.00 C ATOM 562 C GLY A 44 13.221 4.407 -8.208 1.00 0.00 C ATOM 563 O GLY A 44 12.731 5.535 -8.273 1.00 0.00 O ATOM 0 H GLY A 44 14.705 5.827 -6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.195 4.090 -8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.885 3.308 -7.433 1.00 0.00 H new ATOM 567 N LEU A 45 12.497 3.298 -8.314 1.00 0.00 N ATOM 568 CA LEU A 45 11.053 3.343 -8.515 1.00 0.00 C ATOM 569 C LEU A 45 10.321 2.652 -7.370 1.00 0.00 C ATOM 570 O LEU A 45 10.716 1.573 -6.927 1.00 0.00 O ATOM 571 CB LEU A 45 10.682 2.683 -9.845 1.00 0.00 C ATOM 572 CG LEU A 45 10.725 1.155 -9.869 1.00 0.00 C ATOM 573 CD1 LEU A 45 9.379 0.576 -9.460 1.00 0.00 C ATOM 574 CD2 LEU A 45 11.125 0.654 -11.249 1.00 0.00 C ATOM 0 H LEU A 45 12.886 2.357 -8.264 1.00 0.00 H new ATOM 0 HA LEU A 45 10.747 4.389 -8.538 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.677 3.003 -10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.357 3.058 -10.615 1.00 0.00 H new ATOM 0 HG LEU A 45 11.474 0.821 -9.151 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.429 -0.513 -9.483 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.132 0.907 -8.451 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.610 0.919 -10.152 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.150 -0.436 -11.247 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.399 0.999 -11.986 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.112 1.039 -11.504 1.00 0.00 H new ATOM 586 N LEU A 46 9.250 3.279 -6.895 1.00 0.00 N ATOM 587 CA LEU A 46 8.460 2.724 -5.801 1.00 0.00 C ATOM 588 C LEU A 46 7.476 1.678 -6.316 1.00 0.00 C ATOM 589 O LEU A 46 6.868 1.850 -7.373 1.00 0.00 O ATOM 590 CB LEU A 46 7.705 3.838 -5.074 1.00 0.00 C ATOM 591 CG LEU A 46 6.571 3.388 -4.151 1.00 0.00 C ATOM 592 CD1 LEU A 46 7.108 3.063 -2.766 1.00 0.00 C ATOM 593 CD2 LEU A 46 5.494 4.460 -4.070 1.00 0.00 C ATOM 0 H LEU A 46 8.909 4.172 -7.250 1.00 0.00 H new ATOM 0 HA LEU A 46 9.142 2.241 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.421 4.410 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.292 4.517 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 46 6.126 2.484 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.287 2.745 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.843 2.262 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.579 3.949 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.695 4.124 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.926 5.381 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.089 4.645 -5.065 1.00 0.00 H new ATOM 605 N THR A 47 7.323 0.595 -5.562 1.00 0.00 N ATOM 606 CA THR A 47 6.412 -0.478 -5.941 1.00 0.00 C ATOM 607 C THR A 47 5.450 -0.810 -4.806 1.00 0.00 C ATOM 608 O THR A 47 5.823 -0.773 -3.633 1.00 0.00 O ATOM 609 CB THR A 47 7.180 -1.753 -6.338 1.00 0.00 C ATOM 610 OG1 THR A 47 7.969 -2.213 -5.235 1.00 0.00 O ATOM 611 CG2 THR A 47 8.079 -1.492 -7.537 1.00 0.00 C ATOM 0 H THR A 47 7.818 0.437 -4.684 1.00 0.00 H new ATOM 0 HA THR A 47 5.845 -0.122 -6.801 1.00 0.00 H new ATOM 0 HB THR A 47 6.453 -2.519 -6.609 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.539 -1.483 -4.913 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.611 -2.407 -7.799 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.472 -1.170 -8.383 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.799 -0.712 -7.289 1.00 0.00 H new ATOM 619 N VAL A 48 4.212 -1.136 -5.162 1.00 0.00 N ATOM 620 CA VAL A 48 3.197 -1.477 -4.172 1.00 0.00 C ATOM 621 C VAL A 48 2.379 -2.684 -4.617 1.00 0.00 C ATOM 622 O VAL A 48 1.965 -2.773 -5.773 1.00 0.00 O ATOM 623 CB VAL A 48 2.245 -0.293 -3.913 1.00 0.00 C ATOM 624 CG1 VAL A 48 1.170 -0.682 -2.910 1.00 0.00 C ATOM 625 CG2 VAL A 48 3.025 0.920 -3.428 1.00 0.00 C ATOM 0 H VAL A 48 3.887 -1.171 -6.128 1.00 0.00 H new ATOM 0 HA VAL A 48 3.724 -1.719 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 48 1.755 -0.031 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.507 0.166 -2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.593 -1.520 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.638 -0.972 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.338 1.747 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.543 0.673 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.754 1.210 -4.185 1.00 0.00 H new ATOM 635 N GLN A 49 2.150 -3.610 -3.692 1.00 0.00 N ATOM 636 CA GLN A 49 1.381 -4.813 -3.990 1.00 0.00 C ATOM 637 C GLN A 49 0.423 -5.143 -2.850 1.00 0.00 C ATOM 638 O GLN A 49 0.790 -5.068 -1.677 1.00 0.00 O ATOM 639 CB GLN A 49 2.320 -5.995 -4.241 1.00 0.00 C ATOM 640 CG GLN A 49 1.594 -7.291 -4.564 1.00 0.00 C ATOM 641 CD GLN A 49 1.315 -7.450 -6.046 1.00 0.00 C ATOM 642 OE1 GLN A 49 1.570 -6.542 -6.838 1.00 0.00 O ATOM 643 NE2 GLN A 49 0.790 -8.608 -6.428 1.00 0.00 N ATOM 0 H GLN A 49 2.485 -3.551 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 49 0.795 -4.626 -4.890 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.989 -5.748 -5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.943 -6.147 -3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.192 -8.134 -4.218 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.653 -7.322 -4.016 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.595 -9.332 -5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.582 -8.773 -7.413 1.00 0.00 H new ATOM 652 N ILE A 50 -0.805 -5.507 -3.203 1.00 0.00 N ATOM 653 CA ILE A 50 -1.815 -5.849 -2.209 1.00 0.00 C ATOM 654 C ILE A 50 -2.384 -7.241 -2.460 1.00 0.00 C ATOM 655 O ILE A 50 -2.784 -7.569 -3.578 1.00 0.00 O ATOM 656 CB ILE A 50 -2.969 -4.828 -2.206 1.00 0.00 C ATOM 657 CG1 ILE A 50 -2.417 -3.401 -2.217 1.00 0.00 C ATOM 658 CG2 ILE A 50 -3.864 -5.046 -0.995 1.00 0.00 C ATOM 659 CD1 ILE A 50 -3.486 -2.341 -2.361 1.00 0.00 C ATOM 0 H ILE A 50 -1.125 -5.573 -4.169 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.321 -5.831 -1.237 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.566 -4.973 -3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.866 -3.226 -1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.705 -3.302 -3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.675 -4.318 -1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.280 -6.053 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.279 -4.924 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.022 -1.354 -2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.022 -2.490 -3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.185 -2.413 -1.528 1.00 0.00 H new ATOM 671 N LEU A 51 -2.418 -8.057 -1.412 1.00 0.00 N ATOM 672 CA LEU A 51 -2.940 -9.415 -1.517 1.00 0.00 C ATOM 673 C LEU A 51 -4.192 -9.585 -0.661 1.00 0.00 C ATOM 674 O LEU A 51 -4.127 -9.538 0.567 1.00 0.00 O ATOM 675 CB LEU A 51 -1.875 -10.426 -1.090 1.00 0.00 C ATOM 676 CG LEU A 51 -0.625 -10.496 -1.968 1.00 0.00 C ATOM 677 CD1 LEU A 51 0.143 -11.781 -1.702 1.00 0.00 C ATOM 678 CD2 LEU A 51 -1.001 -10.393 -3.439 1.00 0.00 C ATOM 0 H LEU A 51 -2.090 -7.802 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.207 -9.596 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.566 -10.190 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.332 -11.415 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 51 0.019 -9.653 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.029 -11.813 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.444 -11.815 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.493 -12.638 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.099 -10.445 -4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.666 -11.216 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.508 -9.445 -3.620 1.00 0.00 H new ATOM 690 N ASP A 52 -5.329 -9.786 -1.318 1.00 0.00 N ATOM 691 CA ASP A 52 -6.595 -9.967 -0.618 1.00 0.00 C ATOM 692 C ASP A 52 -6.432 -10.920 0.562 1.00 0.00 C ATOM 693 O ASP A 52 -5.461 -11.670 0.656 1.00 0.00 O ATOM 694 CB ASP A 52 -7.661 -10.500 -1.577 1.00 0.00 C ATOM 695 CG ASP A 52 -7.065 -11.307 -2.714 1.00 0.00 C ATOM 696 OD1 ASP A 52 -6.879 -12.530 -2.540 1.00 0.00 O ATOM 697 OD2 ASP A 52 -6.785 -10.716 -3.777 1.00 0.00 O ATOM 0 H ASP A 52 -5.400 -9.828 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.913 -8.997 -0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.365 -11.122 -1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.228 -9.664 -1.987 1.00 0.00 H new ATOM 702 N PRO A 53 -7.403 -10.889 1.486 1.00 0.00 N ATOM 703 CA PRO A 53 -7.390 -11.743 2.677 1.00 0.00 C ATOM 704 C PRO A 53 -7.622 -13.212 2.340 1.00 0.00 C ATOM 705 O PRO A 53 -7.756 -14.049 3.233 1.00 0.00 O ATOM 706 CB PRO A 53 -8.547 -11.198 3.518 1.00 0.00 C ATOM 707 CG PRO A 53 -9.467 -10.566 2.531 1.00 0.00 C ATOM 708 CD PRO A 53 -8.590 -10.019 1.439 1.00 0.00 C ATOM 0 HA PRO A 53 -6.426 -11.717 3.186 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.045 -11.995 4.070 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.196 -10.473 4.252 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.175 -11.294 2.135 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.052 -9.773 2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.083 -10.064 0.468 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.331 -8.975 1.617 1.00 0.00 H new ATOM 716 N GLU A 54 -7.667 -13.518 1.047 1.00 0.00 N ATOM 717 CA GLU A 54 -7.884 -14.887 0.594 1.00 0.00 C ATOM 718 C GLU A 54 -6.584 -15.502 0.082 1.00 0.00 C ATOM 719 O GLU A 54 -6.409 -16.719 0.109 1.00 0.00 O ATOM 720 CB GLU A 54 -8.945 -14.921 -0.507 1.00 0.00 C ATOM 721 CG GLU A 54 -10.335 -14.542 -0.025 1.00 0.00 C ATOM 722 CD GLU A 54 -11.247 -14.108 -1.156 1.00 0.00 C ATOM 723 OE1 GLU A 54 -10.758 -13.442 -2.091 1.00 0.00 O ATOM 724 OE2 GLU A 54 -12.452 -14.436 -1.105 1.00 0.00 O ATOM 0 H GLU A 54 -7.556 -12.837 0.296 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.234 -15.473 1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.649 -14.241 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.979 -15.922 -0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.781 -15.393 0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.255 -13.734 0.703 1.00 0.00 H new ATOM 731 N GLY A 55 -5.676 -14.650 -0.384 1.00 0.00 N ATOM 732 CA GLY A 55 -4.405 -15.128 -0.896 1.00 0.00 C ATOM 733 C GLY A 55 -4.279 -14.946 -2.396 1.00 0.00 C ATOM 734 O GLY A 55 -3.723 -15.799 -3.088 1.00 0.00 O ATOM 0 H GLY A 55 -5.798 -13.638 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.593 -14.596 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.292 -16.184 -0.650 1.00 0.00 H new ATOM 738 N LYS A 56 -4.798 -13.832 -2.901 1.00 0.00 N ATOM 739 CA LYS A 56 -4.741 -13.540 -4.328 1.00 0.00 C ATOM 740 C LYS A 56 -4.257 -12.114 -4.573 1.00 0.00 C ATOM 741 O LYS A 56 -4.442 -11.220 -3.747 1.00 0.00 O ATOM 742 CB LYS A 56 -6.119 -13.739 -4.965 1.00 0.00 C ATOM 743 CG LYS A 56 -6.819 -15.010 -4.516 1.00 0.00 C ATOM 744 CD LYS A 56 -6.265 -16.232 -5.228 1.00 0.00 C ATOM 745 CE LYS A 56 -6.625 -17.515 -4.494 1.00 0.00 C ATOM 746 NZ LYS A 56 -5.644 -17.833 -3.419 1.00 0.00 N ATOM 0 H LYS A 56 -5.263 -13.116 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.032 -14.229 -4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.749 -12.883 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.009 -13.758 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.701 -15.131 -3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.888 -14.927 -4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.656 -16.271 -6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.181 -16.148 -5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.620 -17.418 -4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.666 -18.341 -5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.257 -18.786 -3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.870 -17.138 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.119 -17.797 -2.494 1.00 0.00 H new ATOM 760 N PRO A 57 -3.624 -11.895 -5.735 1.00 0.00 N ATOM 761 CA PRO A 57 -3.103 -10.579 -6.116 1.00 0.00 C ATOM 762 C PRO A 57 -4.215 -9.581 -6.420 1.00 0.00 C ATOM 763 O PRO A 57 -5.188 -9.908 -7.100 1.00 0.00 O ATOM 764 CB PRO A 57 -2.287 -10.872 -7.378 1.00 0.00 C ATOM 765 CG PRO A 57 -2.898 -12.107 -7.944 1.00 0.00 C ATOM 766 CD PRO A 57 -3.369 -12.914 -6.767 1.00 0.00 C ATOM 0 HA PRO A 57 -2.523 -10.122 -5.314 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.340 -10.044 -8.085 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.234 -11.023 -7.142 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.728 -11.863 -8.607 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.172 -12.666 -8.535 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.269 -13.481 -7.003 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.615 -13.632 -6.445 1.00 0.00 H new ATOM 774 N LYS A 58 -4.064 -8.361 -5.914 1.00 0.00 N ATOM 775 CA LYS A 58 -5.054 -7.314 -6.133 1.00 0.00 C ATOM 776 C LYS A 58 -4.536 -6.272 -7.120 1.00 0.00 C ATOM 777 O LYS A 58 -3.433 -6.401 -7.652 1.00 0.00 O ATOM 778 CB LYS A 58 -5.416 -6.640 -4.807 1.00 0.00 C ATOM 779 CG LYS A 58 -6.158 -7.551 -3.845 1.00 0.00 C ATOM 780 CD LYS A 58 -7.556 -7.872 -4.346 1.00 0.00 C ATOM 781 CE LYS A 58 -8.454 -6.645 -4.316 1.00 0.00 C ATOM 782 NZ LYS A 58 -9.894 -7.013 -4.229 1.00 0.00 N ATOM 0 H LYS A 58 -3.265 -8.074 -5.349 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.947 -7.776 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.503 -6.286 -4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.030 -5.763 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.597 -8.476 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.222 -7.074 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.499 -8.258 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.992 -8.659 -3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.187 -6.020 -3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.285 -6.049 -5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.479 -6.170 -4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.112 -7.734 -4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.099 -7.392 -3.283 1.00 0.00 H new ATOM 796 N LYS A 59 -5.337 -5.240 -7.359 1.00 0.00 N ATOM 797 CA LYS A 59 -4.959 -4.174 -8.279 1.00 0.00 C ATOM 798 C LYS A 59 -4.776 -2.854 -7.537 1.00 0.00 C ATOM 799 O LYS A 59 -5.700 -2.363 -6.888 1.00 0.00 O ATOM 800 CB LYS A 59 -6.018 -4.016 -9.371 1.00 0.00 C ATOM 801 CG LYS A 59 -5.479 -3.420 -10.661 1.00 0.00 C ATOM 802 CD LYS A 59 -6.600 -2.914 -11.553 1.00 0.00 C ATOM 803 CE LYS A 59 -6.055 -2.208 -12.785 1.00 0.00 C ATOM 804 NZ LYS A 59 -5.829 -0.757 -12.539 1.00 0.00 N ATOM 0 H LYS A 59 -6.253 -5.119 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.009 -4.445 -8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.454 -4.991 -9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.822 -3.383 -8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.800 -2.600 -10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.899 -4.172 -11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.228 -3.750 -11.859 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.234 -2.229 -10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.118 -2.675 -13.086 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.753 -2.331 -13.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.458 -0.312 -13.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.728 -0.305 -12.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.143 -0.639 -11.766 1.00 0.00 H new ATOM 818 N ALA A 60 -3.581 -2.283 -7.639 1.00 0.00 N ATOM 819 CA ALA A 60 -3.279 -1.018 -6.981 1.00 0.00 C ATOM 820 C ALA A 60 -2.737 0.003 -7.976 1.00 0.00 C ATOM 821 O ALA A 60 -2.156 -0.360 -8.997 1.00 0.00 O ATOM 822 CB ALA A 60 -2.285 -1.235 -5.850 1.00 0.00 C ATOM 0 H ALA A 60 -2.805 -2.677 -8.172 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.206 -0.624 -6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.069 -0.282 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.710 -1.923 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.363 -1.656 -6.252 1.00 0.00 H new ATOM 828 N ASN A 61 -2.932 1.282 -7.669 1.00 0.00 N ATOM 829 CA ASN A 61 -2.463 2.355 -8.538 1.00 0.00 C ATOM 830 C ASN A 61 -1.380 3.180 -7.848 1.00 0.00 C ATOM 831 O ASN A 61 -1.473 3.470 -6.655 1.00 0.00 O ATOM 832 CB ASN A 61 -3.629 3.260 -8.941 1.00 0.00 C ATOM 833 CG ASN A 61 -4.811 2.475 -9.477 1.00 0.00 C ATOM 834 OD1 ASN A 61 -4.982 2.339 -10.688 1.00 0.00 O ATOM 835 ND2 ASN A 61 -5.634 1.955 -8.574 1.00 0.00 N ATOM 0 H ASN A 61 -3.411 1.600 -6.826 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.036 1.903 -9.433 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.946 3.845 -8.078 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.292 3.967 -9.699 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.447 1.417 -8.875 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.453 2.093 -7.580 1.00 0.00 H new ATOM 842 N ILE A 62 -0.355 3.554 -8.606 1.00 0.00 N ATOM 843 CA ILE A 62 0.744 4.346 -8.068 1.00 0.00 C ATOM 844 C ILE A 62 0.942 5.627 -8.870 1.00 0.00 C ATOM 845 O ILE A 62 0.865 5.621 -10.099 1.00 0.00 O ATOM 846 CB ILE A 62 2.062 3.549 -8.062 1.00 0.00 C ATOM 847 CG1 ILE A 62 1.897 2.256 -7.261 1.00 0.00 C ATOM 848 CG2 ILE A 62 3.189 4.394 -7.488 1.00 0.00 C ATOM 849 CD1 ILE A 62 2.838 1.153 -7.693 1.00 0.00 C ATOM 0 H ILE A 62 -0.263 3.321 -9.595 1.00 0.00 H new ATOM 0 HA ILE A 62 0.477 4.600 -7.042 1.00 0.00 H new ATOM 0 HB ILE A 62 2.317 3.288 -9.089 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.061 2.469 -6.205 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.870 1.906 -7.360 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.114 3.817 -7.490 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.318 5.289 -8.096 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.944 4.682 -6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.665 0.267 -7.082 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.659 0.912 -8.741 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.869 1.484 -7.568 1.00 0.00 H new ATOM 861 N ARG A 63 1.198 6.725 -8.167 1.00 0.00 N ATOM 862 CA ARG A 63 1.408 8.015 -8.813 1.00 0.00 C ATOM 863 C ARG A 63 2.749 8.617 -8.403 1.00 0.00 C ATOM 864 O ARG A 63 3.207 8.427 -7.276 1.00 0.00 O ATOM 865 CB ARG A 63 0.274 8.978 -8.458 1.00 0.00 C ATOM 866 CG ARG A 63 0.410 10.346 -9.108 1.00 0.00 C ATOM 867 CD ARG A 63 -0.147 10.348 -10.523 1.00 0.00 C ATOM 868 NE ARG A 63 -0.094 11.675 -11.130 1.00 0.00 N ATOM 869 CZ ARG A 63 -0.515 11.937 -12.362 1.00 0.00 C ATOM 870 NH1 ARG A 63 -1.018 10.967 -13.114 1.00 0.00 N ATOM 871 NH2 ARG A 63 -0.434 13.170 -12.844 1.00 0.00 N ATOM 0 H ARG A 63 1.265 6.747 -7.149 1.00 0.00 H new ATOM 0 HA ARG A 63 1.416 7.856 -9.891 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.675 8.535 -8.759 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.239 9.101 -7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.115 11.089 -8.508 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.460 10.637 -9.129 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.418 9.646 -11.136 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.179 9.998 -10.507 1.00 0.00 H new ATOM 0 HE ARG A 63 0.287 12.443 -10.577 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.082 10.018 -12.746 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.341 11.170 -14.060 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.048 13.918 -12.268 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.758 13.370 -13.790 1.00 0.00 H new ATOM 885 N ASP A 64 3.372 9.343 -9.324 1.00 0.00 N ATOM 886 CA ASP A 64 4.660 9.974 -9.058 1.00 0.00 C ATOM 887 C ASP A 64 4.503 11.483 -8.897 1.00 0.00 C ATOM 888 O ASP A 64 4.226 12.194 -9.861 1.00 0.00 O ATOM 889 CB ASP A 64 5.644 9.669 -10.188 1.00 0.00 C ATOM 890 CG ASP A 64 5.076 9.996 -11.555 1.00 0.00 C ATOM 891 OD1 ASP A 64 4.116 9.317 -11.977 1.00 0.00 O ATOM 892 OD2 ASP A 64 5.590 10.931 -12.203 1.00 0.00 O ATOM 0 H ASP A 64 3.006 9.510 -10.262 1.00 0.00 H new ATOM 0 HA ASP A 64 5.051 9.566 -8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.560 10.240 -10.032 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.916 8.614 -10.154 1.00 0.00 H new ATOM 897 N ASN A 65 4.682 11.963 -7.671 1.00 0.00 N ATOM 898 CA ASN A 65 4.559 13.388 -7.382 1.00 0.00 C ATOM 899 C ASN A 65 5.831 14.134 -7.773 1.00 0.00 C ATOM 900 O ASN A 65 5.776 15.180 -8.417 1.00 0.00 O ATOM 901 CB ASN A 65 4.262 13.605 -5.897 1.00 0.00 C ATOM 902 CG ASN A 65 2.782 13.510 -5.583 1.00 0.00 C ATOM 903 OD1 ASN A 65 1.981 14.311 -6.066 1.00 0.00 O ATOM 904 ND2 ASN A 65 2.411 12.528 -4.770 1.00 0.00 N ATOM 0 H ASN A 65 4.913 11.387 -6.862 1.00 0.00 H new ATOM 0 HA ASN A 65 3.732 13.783 -7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.804 12.864 -5.309 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.633 14.584 -5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.428 12.415 -4.523 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.109 11.887 -4.393 1.00 0.00 H new ATOM 911 N GLY A 66 6.977 13.586 -7.378 1.00 0.00 N ATOM 912 CA GLY A 66 8.246 14.213 -7.696 1.00 0.00 C ATOM 913 C GLY A 66 8.738 15.122 -6.587 1.00 0.00 C ATOM 914 O GLY A 66 9.919 15.469 -6.538 1.00 0.00 O ATOM 0 H GLY A 66 7.048 12.720 -6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.992 13.441 -7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.143 14.790 -8.615 1.00 0.00 H new ATOM 918 N ASP A 67 7.832 15.509 -5.697 1.00 0.00 N ATOM 919 CA ASP A 67 8.180 16.384 -4.583 1.00 0.00 C ATOM 920 C ASP A 67 8.699 15.575 -3.398 1.00 0.00 C ATOM 921 O ASP A 67 8.579 15.994 -2.248 1.00 0.00 O ATOM 922 CB ASP A 67 6.967 17.212 -4.159 1.00 0.00 C ATOM 923 CG ASP A 67 7.245 18.063 -2.935 1.00 0.00 C ATOM 924 OD1 ASP A 67 8.394 18.531 -2.786 1.00 0.00 O ATOM 925 OD2 ASP A 67 6.315 18.261 -2.126 1.00 0.00 O ATOM 0 H ASP A 67 6.851 15.231 -5.725 1.00 0.00 H new ATOM 0 HA ASP A 67 8.971 17.057 -4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.664 17.856 -4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.130 16.545 -3.952 1.00 0.00 H new ATOM 930 N GLY A 68 9.277 14.413 -3.689 1.00 0.00 N ATOM 931 CA GLY A 68 9.804 13.563 -2.637 1.00 0.00 C ATOM 932 C GLY A 68 8.727 12.733 -1.968 1.00 0.00 C ATOM 933 O GLY A 68 8.906 12.257 -0.846 1.00 0.00 O ATOM 0 H GLY A 68 9.390 14.046 -4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.562 12.900 -3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.299 14.181 -1.888 1.00 0.00 H new ATOM 937 N THR A 69 7.602 12.560 -2.655 1.00 0.00 N ATOM 938 CA THR A 69 6.490 11.785 -2.119 1.00 0.00 C ATOM 939 C THR A 69 5.751 11.045 -3.229 1.00 0.00 C ATOM 940 O THR A 69 6.024 11.248 -4.412 1.00 0.00 O ATOM 941 CB THR A 69 5.493 12.682 -1.362 1.00 0.00 C ATOM 942 OG1 THR A 69 4.790 13.520 -2.286 1.00 0.00 O ATOM 943 CG2 THR A 69 6.211 13.542 -0.334 1.00 0.00 C ATOM 0 H THR A 69 7.437 12.947 -3.584 1.00 0.00 H new ATOM 0 HA THR A 69 6.915 11.061 -1.424 1.00 0.00 H new ATOM 0 HB THR A 69 4.783 12.040 -0.841 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.157 14.086 -1.798 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.486 14.167 0.188 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.721 12.900 0.385 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.941 14.176 -0.836 1.00 0.00 H new ATOM 951 N TYR A 70 4.814 10.188 -2.839 1.00 0.00 N ATOM 952 CA TYR A 70 4.036 9.417 -3.801 1.00 0.00 C ATOM 953 C TYR A 70 2.639 9.125 -3.263 1.00 0.00 C ATOM 954 O TYR A 70 2.388 9.230 -2.062 1.00 0.00 O ATOM 955 CB TYR A 70 4.751 8.106 -4.133 1.00 0.00 C ATOM 956 CG TYR A 70 6.222 8.278 -4.435 1.00 0.00 C ATOM 957 CD1 TYR A 70 7.167 8.259 -3.417 1.00 0.00 C ATOM 958 CD2 TYR A 70 6.667 8.461 -5.738 1.00 0.00 C ATOM 959 CE1 TYR A 70 8.513 8.416 -3.688 1.00 0.00 C ATOM 960 CE2 TYR A 70 8.011 8.618 -6.019 1.00 0.00 C ATOM 961 CZ TYR A 70 8.929 8.595 -4.991 1.00 0.00 C ATOM 962 OH TYR A 70 10.268 8.753 -5.266 1.00 0.00 O ATOM 0 H TYR A 70 4.575 10.010 -1.864 1.00 0.00 H new ATOM 0 HA TYR A 70 3.939 10.011 -4.710 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.639 7.418 -3.295 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.264 7.644 -4.992 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.844 8.119 -2.396 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.950 8.481 -6.546 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.235 8.399 -2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 70 8.340 8.758 -7.038 1.00 0.00 H new ATOM 0 HH TYR A 70 10.760 7.963 -4.960 1.00 0.00 H new ATOM 972 N THR A 71 1.730 8.757 -4.161 1.00 0.00 N ATOM 973 CA THR A 71 0.358 8.451 -3.779 1.00 0.00 C ATOM 974 C THR A 71 -0.087 7.110 -4.354 1.00 0.00 C ATOM 975 O THR A 71 0.218 6.784 -5.501 1.00 0.00 O ATOM 976 CB THR A 71 -0.616 9.547 -4.252 1.00 0.00 C ATOM 977 OG1 THR A 71 -0.240 10.810 -3.691 1.00 0.00 O ATOM 978 CG2 THR A 71 -2.044 9.212 -3.850 1.00 0.00 C ATOM 0 H THR A 71 1.920 8.664 -5.159 1.00 0.00 H new ATOM 0 HA THR A 71 0.337 8.402 -2.690 1.00 0.00 H new ATOM 0 HB THR A 71 -0.566 9.603 -5.339 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.862 11.502 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.713 10.000 -4.195 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.336 8.264 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.107 9.131 -2.765 1.00 0.00 H new ATOM 986 N VAL A 72 -0.809 6.337 -3.549 1.00 0.00 N ATOM 987 CA VAL A 72 -1.297 5.032 -3.979 1.00 0.00 C ATOM 988 C VAL A 72 -2.760 4.838 -3.593 1.00 0.00 C ATOM 989 O VAL A 72 -3.199 5.293 -2.537 1.00 0.00 O ATOM 990 CB VAL A 72 -0.461 3.892 -3.369 1.00 0.00 C ATOM 991 CG1 VAL A 72 -1.013 2.539 -3.792 1.00 0.00 C ATOM 992 CG2 VAL A 72 1.000 4.029 -3.769 1.00 0.00 C ATOM 0 H VAL A 72 -1.069 6.592 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.203 5.000 -5.065 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.524 3.960 -2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.409 1.746 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.043 2.443 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.982 2.457 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.576 3.215 -3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.085 3.988 -4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.388 4.983 -3.410 1.00 0.00 H new ATOM 1002 N SER A 73 -3.509 4.160 -4.457 1.00 0.00 N ATOM 1003 CA SER A 73 -4.923 3.908 -4.208 1.00 0.00 C ATOM 1004 C SER A 73 -5.268 2.444 -4.466 1.00 0.00 C ATOM 1005 O SER A 73 -4.666 1.794 -5.321 1.00 0.00 O ATOM 1006 CB SER A 73 -5.786 4.810 -5.093 1.00 0.00 C ATOM 1007 OG SER A 73 -5.675 4.444 -6.457 1.00 0.00 O ATOM 0 H SER A 73 -3.160 3.776 -5.335 1.00 0.00 H new ATOM 0 HA SER A 73 -5.128 4.133 -3.161 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.828 4.743 -4.779 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.481 5.849 -4.966 1.00 0.00 H new ATOM 0 HG SER A 73 -6.237 5.034 -7.001 1.00 0.00 H new ATOM 1013 N TYR A 74 -6.240 1.932 -3.720 1.00 0.00 N ATOM 1014 CA TYR A 74 -6.664 0.544 -3.864 1.00 0.00 C ATOM 1015 C TYR A 74 -8.081 0.350 -3.333 1.00 0.00 C ATOM 1016 O TYR A 74 -8.518 1.055 -2.422 1.00 0.00 O ATOM 1017 CB TYR A 74 -5.699 -0.386 -3.127 1.00 0.00 C ATOM 1018 CG TYR A 74 -5.710 -0.203 -1.626 1.00 0.00 C ATOM 1019 CD1 TYR A 74 -4.896 0.745 -1.017 1.00 0.00 C ATOM 1020 CD2 TYR A 74 -6.532 -0.978 -0.818 1.00 0.00 C ATOM 1021 CE1 TYR A 74 -4.902 0.915 0.354 1.00 0.00 C ATOM 1022 CE2 TYR A 74 -6.545 -0.814 0.554 1.00 0.00 C ATOM 1023 CZ TYR A 74 -5.728 0.133 1.135 1.00 0.00 C ATOM 1024 OH TYR A 74 -5.738 0.299 2.501 1.00 0.00 O ATOM 0 H TYR A 74 -6.749 2.457 -3.009 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.656 0.297 -4.926 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.954 -1.420 -3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.688 -0.215 -3.498 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.248 1.359 -1.626 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.172 -1.721 -1.270 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.264 1.656 0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.191 -1.424 1.168 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.834 0.515 2.811 1.00 0.00 H new ATOM 1034 N LEU A 75 -8.794 -0.613 -3.908 1.00 0.00 N ATOM 1035 CA LEU A 75 -10.162 -0.903 -3.493 1.00 0.00 C ATOM 1036 C LEU A 75 -10.278 -2.326 -2.956 1.00 0.00 C ATOM 1037 O LEU A 75 -10.418 -3.290 -3.709 1.00 0.00 O ATOM 1038 CB LEU A 75 -11.124 -0.708 -4.666 1.00 0.00 C ATOM 1039 CG LEU A 75 -12.582 -1.092 -4.410 1.00 0.00 C ATOM 1040 CD1 LEU A 75 -13.350 0.086 -3.832 1.00 0.00 C ATOM 1041 CD2 LEU A 75 -13.238 -1.582 -5.693 1.00 0.00 C ATOM 0 H LEU A 75 -8.447 -1.206 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.428 -0.210 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.092 0.340 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.758 -1.292 -5.511 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.602 -1.904 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -14.385 -0.206 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.894 0.391 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.322 0.919 -4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.275 -1.851 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.207 -0.791 -6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.702 -2.455 -6.065 1.00 0.00 H new ATOM 1053 N PRO A 76 -10.221 -2.462 -1.623 1.00 0.00 N ATOM 1054 CA PRO A 76 -10.321 -3.763 -0.955 1.00 0.00 C ATOM 1055 C PRO A 76 -11.721 -4.360 -1.054 1.00 0.00 C ATOM 1056 O PRO A 76 -12.515 -4.262 -0.119 1.00 0.00 O ATOM 1057 CB PRO A 76 -9.979 -3.441 0.502 1.00 0.00 C ATOM 1058 CG PRO A 76 -10.332 -2.003 0.665 1.00 0.00 C ATOM 1059 CD PRO A 76 -10.056 -1.356 -0.665 1.00 0.00 C ATOM 0 HA PRO A 76 -9.663 -4.505 -1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.546 -4.068 1.190 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.923 -3.615 0.709 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.379 -1.887 0.946 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.738 -1.542 1.454 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.752 -0.542 -0.868 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.051 -0.935 -0.706 1.00 0.00 H new ATOM 1067 N ASP A 77 -12.015 -4.978 -2.193 1.00 0.00 N ATOM 1068 CA ASP A 77 -13.319 -5.593 -2.414 1.00 0.00 C ATOM 1069 C ASP A 77 -13.733 -6.437 -1.212 1.00 0.00 C ATOM 1070 O ASP A 77 -14.769 -6.191 -0.595 1.00 0.00 O ATOM 1071 CB ASP A 77 -13.292 -6.458 -3.675 1.00 0.00 C ATOM 1072 CG ASP A 77 -14.544 -7.299 -3.827 1.00 0.00 C ATOM 1073 OD1 ASP A 77 -15.538 -6.787 -4.383 1.00 0.00 O ATOM 1074 OD2 ASP A 77 -14.530 -8.469 -3.390 1.00 0.00 O ATOM 0 H ASP A 77 -11.368 -5.066 -2.977 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.051 -4.796 -2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.180 -5.817 -4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.420 -7.112 -3.645 1.00 0.00 H new ATOM 1079 N MET A 78 -12.916 -7.433 -0.886 1.00 0.00 N ATOM 1080 CA MET A 78 -13.197 -8.314 0.242 1.00 0.00 C ATOM 1081 C MET A 78 -12.815 -7.648 1.560 1.00 0.00 C ATOM 1082 O MET A 78 -12.235 -6.562 1.572 1.00 0.00 O ATOM 1083 CB MET A 78 -12.441 -9.635 0.086 1.00 0.00 C ATOM 1084 CG MET A 78 -12.921 -10.475 -1.086 1.00 0.00 C ATOM 1085 SD MET A 78 -14.408 -11.420 -0.700 1.00 0.00 S ATOM 1086 CE MET A 78 -14.462 -12.547 -2.091 1.00 0.00 C ATOM 0 H MET A 78 -12.054 -7.650 -1.387 1.00 0.00 H new ATOM 0 HA MET A 78 -14.268 -8.517 0.255 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.379 -9.424 -0.040 1.00 0.00 H new ATOM 0 HB3 MET A 78 -12.544 -10.214 1.004 1.00 0.00 H new ATOM 0 HG2 MET A 78 -13.120 -9.824 -1.937 1.00 0.00 H new ATOM 0 HG3 MET A 78 -12.128 -11.160 -1.386 1.00 0.00 H new ATOM 0 HE1 MET A 78 -14.765 -13.536 -1.747 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.180 -12.183 -2.826 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.474 -12.609 -2.548 1.00 0.00 H new ATOM 1096 N SER A 79 -13.143 -8.306 2.667 1.00 0.00 N ATOM 1097 CA SER A 79 -12.837 -7.775 3.991 1.00 0.00 C ATOM 1098 C SER A 79 -11.888 -8.703 4.743 1.00 0.00 C ATOM 1099 O SER A 79 -11.893 -9.916 4.534 1.00 0.00 O ATOM 1100 CB SER A 79 -14.124 -7.582 4.796 1.00 0.00 C ATOM 1101 OG SER A 79 -14.821 -8.806 4.944 1.00 0.00 O ATOM 0 H SER A 79 -13.620 -9.207 2.674 1.00 0.00 H new ATOM 0 HA SER A 79 -12.348 -6.809 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.885 -7.175 5.778 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.763 -6.854 4.297 1.00 0.00 H new ATOM 0 HG SER A 79 -15.638 -8.656 5.463 1.00 0.00 H new ATOM 1107 N GLY A 80 -11.073 -8.123 5.619 1.00 0.00 N ATOM 1108 CA GLY A 80 -10.129 -8.912 6.389 1.00 0.00 C ATOM 1109 C GLY A 80 -8.750 -8.285 6.432 1.00 0.00 C ATOM 1110 O GLY A 80 -8.597 -7.087 6.192 1.00 0.00 O ATOM 0 H GLY A 80 -11.050 -7.121 5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.503 -9.030 7.406 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.058 -9.910 5.958 1.00 0.00 H new ATOM 1114 N ARG A 81 -7.743 -9.096 6.741 1.00 0.00 N ATOM 1115 CA ARG A 81 -6.369 -8.613 6.818 1.00 0.00 C ATOM 1116 C ARG A 81 -5.723 -8.589 5.436 1.00 0.00 C ATOM 1117 O ARG A 81 -5.543 -9.631 4.806 1.00 0.00 O ATOM 1118 CB ARG A 81 -5.548 -9.494 7.762 1.00 0.00 C ATOM 1119 CG ARG A 81 -4.345 -8.786 8.363 1.00 0.00 C ATOM 1120 CD ARG A 81 -3.308 -9.779 8.863 1.00 0.00 C ATOM 1121 NE ARG A 81 -3.757 -10.482 10.062 1.00 0.00 N ATOM 1122 CZ ARG A 81 -3.194 -11.596 10.515 1.00 0.00 C ATOM 1123 NH1 ARG A 81 -2.165 -12.132 9.873 1.00 0.00 N ATOM 1124 NH2 ARG A 81 -3.660 -12.177 11.614 1.00 0.00 N ATOM 0 H ARG A 81 -7.853 -10.090 6.942 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.389 -7.595 7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.192 -9.847 8.568 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.206 -10.375 7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.895 -8.133 7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.669 -8.151 9.187 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.092 -10.503 8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.377 -9.254 9.078 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.546 -10.096 10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.804 -11.688 9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.735 -12.988 10.224 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.451 -11.768 12.111 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.227 -13.033 11.961 1.00 0.00 H new ATOM 1138 N TYR A 82 -5.377 -7.393 4.971 1.00 0.00 N ATOM 1139 CA TYR A 82 -4.753 -7.233 3.663 1.00 0.00 C ATOM 1140 C TYR A 82 -3.237 -7.124 3.792 1.00 0.00 C ATOM 1141 O TYR A 82 -2.724 -6.459 4.693 1.00 0.00 O ATOM 1142 CB TYR A 82 -5.307 -5.994 2.959 1.00 0.00 C ATOM 1143 CG TYR A 82 -6.584 -6.254 2.191 1.00 0.00 C ATOM 1144 CD1 TYR A 82 -7.813 -6.285 2.837 1.00 0.00 C ATOM 1145 CD2 TYR A 82 -6.560 -6.467 0.818 1.00 0.00 C ATOM 1146 CE1 TYR A 82 -8.981 -6.522 2.140 1.00 0.00 C ATOM 1147 CE2 TYR A 82 -7.724 -6.704 0.112 1.00 0.00 C ATOM 1148 CZ TYR A 82 -8.931 -6.731 0.777 1.00 0.00 C ATOM 1149 OH TYR A 82 -10.093 -6.967 0.078 1.00 0.00 O ATOM 0 H TYR A 82 -5.518 -6.521 5.481 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.986 -8.116 3.067 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.491 -5.217 3.701 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.553 -5.608 2.273 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.856 -6.121 3.904 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.616 -6.447 0.294 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.928 -6.544 2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.688 -6.867 -0.955 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.830 -6.471 0.491 1.00 0.00 H new ATOM 1159 N THR A 83 -2.523 -7.780 2.883 1.00 0.00 N ATOM 1160 CA THR A 83 -1.066 -7.758 2.893 1.00 0.00 C ATOM 1161 C THR A 83 -0.523 -6.786 1.852 1.00 0.00 C ATOM 1162 O THR A 83 -0.507 -7.086 0.658 1.00 0.00 O ATOM 1163 CB THR A 83 -0.481 -9.158 2.626 1.00 0.00 C ATOM 1164 OG1 THR A 83 -1.115 -10.124 3.472 1.00 0.00 O ATOM 1165 CG2 THR A 83 1.021 -9.172 2.868 1.00 0.00 C ATOM 0 H THR A 83 -2.931 -8.334 2.130 1.00 0.00 H new ATOM 0 HA THR A 83 -0.762 -7.429 3.887 1.00 0.00 H new ATOM 0 HB THR A 83 -0.667 -9.412 1.583 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.739 -11.011 3.295 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.412 -10.171 2.673 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.504 -8.457 2.201 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.225 -8.898 3.903 1.00 0.00 H new ATOM 1173 N ILE A 84 -0.079 -5.621 2.311 1.00 0.00 N ATOM 1174 CA ILE A 84 0.466 -4.606 1.419 1.00 0.00 C ATOM 1175 C ILE A 84 1.991 -4.626 1.429 1.00 0.00 C ATOM 1176 O ILE A 84 2.622 -4.209 2.401 1.00 0.00 O ATOM 1177 CB ILE A 84 -0.020 -3.197 1.806 1.00 0.00 C ATOM 1178 CG1 ILE A 84 -1.546 -3.172 1.916 1.00 0.00 C ATOM 1179 CG2 ILE A 84 0.459 -2.173 0.787 1.00 0.00 C ATOM 1180 CD1 ILE A 84 -2.097 -1.841 2.376 1.00 0.00 C ATOM 0 H ILE A 84 -0.086 -5.357 3.296 1.00 0.00 H new ATOM 0 HA ILE A 84 0.109 -4.842 0.417 1.00 0.00 H new ATOM 0 HB ILE A 84 0.400 -2.938 2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.976 -3.418 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.865 -3.948 2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.108 -1.182 1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.548 -2.176 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.065 -2.427 -0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.184 -1.897 2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.696 -1.602 3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.809 -1.064 1.668 1.00 0.00 H new ATOM 1192 N THR A 85 2.578 -5.113 0.341 1.00 0.00 N ATOM 1193 CA THR A 85 4.029 -5.187 0.224 1.00 0.00 C ATOM 1194 C THR A 85 4.577 -4.011 -0.576 1.00 0.00 C ATOM 1195 O THR A 85 4.321 -3.890 -1.775 1.00 0.00 O ATOM 1196 CB THR A 85 4.472 -6.501 -0.448 1.00 0.00 C ATOM 1197 OG1 THR A 85 3.871 -7.618 0.217 1.00 0.00 O ATOM 1198 CG2 THR A 85 5.987 -6.641 -0.417 1.00 0.00 C ATOM 0 H THR A 85 2.071 -5.462 -0.472 1.00 0.00 H new ATOM 0 HA THR A 85 4.430 -5.152 1.237 1.00 0.00 H new ATOM 0 HB THR A 85 4.146 -6.479 -1.488 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.156 -8.449 -0.217 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.276 -7.576 -0.897 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.441 -5.805 -0.949 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.331 -6.643 0.617 1.00 0.00 H new ATOM 1206 N ILE A 86 5.332 -3.147 0.093 1.00 0.00 N ATOM 1207 CA ILE A 86 5.918 -1.981 -0.557 1.00 0.00 C ATOM 1208 C ILE A 86 7.438 -2.090 -0.616 1.00 0.00 C ATOM 1209 O ILE A 86 8.101 -2.236 0.410 1.00 0.00 O ATOM 1210 CB ILE A 86 5.535 -0.679 0.171 1.00 0.00 C ATOM 1211 CG1 ILE A 86 4.014 -0.548 0.262 1.00 0.00 C ATOM 1212 CG2 ILE A 86 6.134 0.523 -0.543 1.00 0.00 C ATOM 1213 CD1 ILE A 86 3.558 0.608 1.125 1.00 0.00 C ATOM 0 H ILE A 86 5.553 -3.232 1.085 1.00 0.00 H new ATOM 0 HA ILE A 86 5.519 -1.951 -1.571 1.00 0.00 H new ATOM 0 HB ILE A 86 5.939 -0.714 1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.607 -0.424 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.601 -1.474 0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.854 1.436 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.220 0.432 -0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.757 0.564 -1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.469 0.640 1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.935 0.476 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.941 1.542 0.714 1.00 0.00 H new ATOM 1225 N LYS A 87 7.984 -2.016 -1.825 1.00 0.00 N ATOM 1226 CA LYS A 87 9.426 -2.102 -2.020 1.00 0.00 C ATOM 1227 C LYS A 87 9.933 -0.933 -2.857 1.00 0.00 C ATOM 1228 O LYS A 87 9.308 -0.547 -3.846 1.00 0.00 O ATOM 1229 CB LYS A 87 9.791 -3.425 -2.698 1.00 0.00 C ATOM 1230 CG LYS A 87 9.564 -4.642 -1.819 1.00 0.00 C ATOM 1231 CD LYS A 87 10.308 -5.858 -2.345 1.00 0.00 C ATOM 1232 CE LYS A 87 9.866 -7.131 -1.640 1.00 0.00 C ATOM 1233 NZ LYS A 87 8.647 -7.716 -2.265 1.00 0.00 N ATOM 0 H LYS A 87 7.449 -1.897 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 87 9.903 -2.058 -1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.203 -3.531 -3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.839 -3.393 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.894 -4.424 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.497 -4.861 -1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.135 -5.956 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.380 -5.718 -2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.675 -7.861 -1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.668 -6.915 -0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.319 -8.523 -1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.899 -6.995 -2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.872 -8.039 -3.228 1.00 0.00 H new ATOM 1247 N TYR A 88 11.070 -0.373 -2.457 1.00 0.00 N ATOM 1248 CA TYR A 88 11.660 0.753 -3.171 1.00 0.00 C ATOM 1249 C TYR A 88 12.895 0.315 -3.953 1.00 0.00 C ATOM 1250 O TYR A 88 13.840 -0.233 -3.388 1.00 0.00 O ATOM 1251 CB TYR A 88 12.033 1.866 -2.190 1.00 0.00 C ATOM 1252 CG TYR A 88 12.246 3.209 -2.851 1.00 0.00 C ATOM 1253 CD1 TYR A 88 11.168 4.022 -3.181 1.00 0.00 C ATOM 1254 CD2 TYR A 88 13.525 3.665 -3.147 1.00 0.00 C ATOM 1255 CE1 TYR A 88 11.359 5.249 -3.786 1.00 0.00 C ATOM 1256 CE2 TYR A 88 13.724 4.891 -3.750 1.00 0.00 C ATOM 1257 CZ TYR A 88 12.638 5.680 -4.068 1.00 0.00 C ATOM 1258 OH TYR A 88 12.833 6.902 -4.670 1.00 0.00 O ATOM 0 H TYR A 88 11.601 -0.681 -1.642 1.00 0.00 H new ATOM 0 HA TYR A 88 10.920 1.131 -3.877 1.00 0.00 H new ATOM 0 HB2 TYR A 88 11.245 1.959 -1.443 1.00 0.00 H new ATOM 0 HB3 TYR A 88 12.943 1.583 -1.661 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.165 3.689 -2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 88 14.378 3.050 -2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.510 5.868 -4.037 1.00 0.00 H new ATOM 0 HE2 TYR A 88 14.725 5.231 -3.972 1.00 0.00 H new ATOM 0 HH TYR A 88 13.780 7.148 -4.612 1.00 0.00 H new ATOM 1268 N GLY A 89 12.878 0.563 -5.260 1.00 0.00 N ATOM 1269 CA GLY A 89 14.000 0.189 -6.100 1.00 0.00 C ATOM 1270 C GLY A 89 14.623 -1.129 -5.684 1.00 0.00 C ATOM 1271 O GLY A 89 15.824 -1.336 -5.850 1.00 0.00 O ATOM 0 H GLY A 89 12.107 1.016 -5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.667 0.119 -7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.756 0.973 -6.061 1.00 0.00 H new ATOM 1275 N GLY A 90 13.803 -2.023 -5.139 1.00 0.00 N ATOM 1276 CA GLY A 90 14.299 -3.316 -4.705 1.00 0.00 C ATOM 1277 C GLY A 90 14.711 -3.318 -3.246 1.00 0.00 C ATOM 1278 O GLY A 90 15.713 -3.931 -2.878 1.00 0.00 O ATOM 0 H GLY A 90 12.805 -1.875 -4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.527 -4.069 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.152 -3.600 -5.321 1.00 0.00 H new ATOM 1282 N ASP A 91 13.938 -2.630 -2.413 1.00 0.00 N ATOM 1283 CA ASP A 91 14.228 -2.555 -0.986 1.00 0.00 C ATOM 1284 C ASP A 91 12.941 -2.457 -0.174 1.00 0.00 C ATOM 1285 O ASP A 91 12.280 -1.419 -0.165 1.00 0.00 O ATOM 1286 CB ASP A 91 15.126 -1.353 -0.690 1.00 0.00 C ATOM 1287 CG ASP A 91 15.883 -1.503 0.615 1.00 0.00 C ATOM 1288 OD1 ASP A 91 16.229 -2.649 0.972 1.00 0.00 O ATOM 1289 OD2 ASP A 91 16.129 -0.475 1.279 1.00 0.00 O ATOM 0 H ASP A 91 13.106 -2.116 -2.702 1.00 0.00 H new ATOM 0 HA ASP A 91 14.749 -3.468 -0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.837 -1.225 -1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.518 -0.449 -0.652 1.00 0.00 H new ATOM 1294 N GLU A 92 12.591 -3.544 0.505 1.00 0.00 N ATOM 1295 CA GLU A 92 11.382 -3.580 1.319 1.00 0.00 C ATOM 1296 C GLU A 92 11.522 -2.679 2.543 1.00 0.00 C ATOM 1297 O GLU A 92 12.503 -2.767 3.282 1.00 0.00 O ATOM 1298 CB GLU A 92 11.079 -5.014 1.759 1.00 0.00 C ATOM 1299 CG GLU A 92 9.707 -5.180 2.391 1.00 0.00 C ATOM 1300 CD GLU A 92 9.601 -6.434 3.236 1.00 0.00 C ATOM 1301 OE1 GLU A 92 9.989 -7.515 2.746 1.00 0.00 O ATOM 1302 OE2 GLU A 92 9.131 -6.334 4.389 1.00 0.00 O ATOM 0 H GLU A 92 13.127 -4.412 0.508 1.00 0.00 H new ATOM 0 HA GLU A 92 10.555 -3.212 0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 92 11.154 -5.674 0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.839 -5.335 2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.489 -4.310 3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.951 -5.210 1.606 1.00 0.00 H new ATOM 1309 N ILE A 93 10.535 -1.814 2.749 1.00 0.00 N ATOM 1310 CA ILE A 93 10.548 -0.898 3.883 1.00 0.00 C ATOM 1311 C ILE A 93 10.486 -1.657 5.204 1.00 0.00 C ATOM 1312 O ILE A 93 9.954 -2.764 5.288 1.00 0.00 O ATOM 1313 CB ILE A 93 9.372 0.094 3.818 1.00 0.00 C ATOM 1314 CG1 ILE A 93 8.059 -0.652 3.571 1.00 0.00 C ATOM 1315 CG2 ILE A 93 9.612 1.130 2.729 1.00 0.00 C ATOM 1316 CD1 ILE A 93 6.835 0.230 3.673 1.00 0.00 C ATOM 0 H ILE A 93 9.717 -1.728 2.146 1.00 0.00 H new ATOM 0 HA ILE A 93 11.485 -0.343 3.830 1.00 0.00 H new ATOM 0 HB ILE A 93 9.299 0.611 4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.089 -1.105 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.972 -1.466 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.772 1.824 2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.528 1.679 2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.708 0.630 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.941 -0.365 3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.781 0.663 4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.900 1.029 2.934 1.00 0.00 H new ATOM 1328 N PRO A 94 11.040 -1.048 6.263 1.00 0.00 N ATOM 1329 CA PRO A 94 11.058 -1.647 7.601 1.00 0.00 C ATOM 1330 C PRO A 94 9.671 -1.698 8.232 1.00 0.00 C ATOM 1331 O PRO A 94 9.513 -2.134 9.373 1.00 0.00 O ATOM 1332 CB PRO A 94 11.973 -0.713 8.396 1.00 0.00 C ATOM 1333 CG PRO A 94 11.881 0.597 7.692 1.00 0.00 C ATOM 1334 CD PRO A 94 11.691 0.272 6.236 1.00 0.00 C ATOM 0 HA PRO A 94 11.398 -2.682 7.579 1.00 0.00 H new ATOM 0 HB2 PRO A 94 11.648 -0.629 9.433 1.00 0.00 H new ATOM 0 HB3 PRO A 94 12.998 -1.083 8.412 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.047 1.187 8.072 1.00 0.00 H new ATOM 0 HG3 PRO A 94 12.785 1.187 7.846 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.071 1.016 5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 94 12.642 0.240 5.704 1.00 0.00 H new ATOM 1342 N TYR A 95 8.669 -1.249 7.484 1.00 0.00 N ATOM 1343 CA TYR A 95 7.295 -1.242 7.972 1.00 0.00 C ATOM 1344 C TYR A 95 6.478 -2.351 7.316 1.00 0.00 C ATOM 1345 O TYR A 95 5.417 -2.731 7.811 1.00 0.00 O ATOM 1346 CB TYR A 95 6.643 0.115 7.702 1.00 0.00 C ATOM 1347 CG TYR A 95 7.146 1.219 8.604 1.00 0.00 C ATOM 1348 CD1 TYR A 95 8.395 1.794 8.401 1.00 0.00 C ATOM 1349 CD2 TYR A 95 6.374 1.686 9.661 1.00 0.00 C ATOM 1350 CE1 TYR A 95 8.859 2.803 9.223 1.00 0.00 C ATOM 1351 CE2 TYR A 95 6.830 2.695 10.487 1.00 0.00 C ATOM 1352 CZ TYR A 95 8.073 3.250 10.265 1.00 0.00 C ATOM 1353 OH TYR A 95 8.531 4.254 11.087 1.00 0.00 O ATOM 0 H TYR A 95 8.783 -0.885 6.538 1.00 0.00 H new ATOM 0 HA TYR A 95 7.317 -1.420 9.047 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.823 0.395 6.664 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.564 0.021 7.824 1.00 0.00 H new ATOM 0 HD1 TYR A 95 9.013 1.446 7.587 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.401 1.253 9.840 1.00 0.00 H new ATOM 0 HE1 TYR A 95 9.832 3.239 9.051 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.216 3.048 11.303 1.00 0.00 H new ATOM 0 HH TYR A 95 7.856 4.452 11.769 1.00 0.00 H new ATOM 1363 N SER A 96 6.980 -2.865 6.198 1.00 0.00 N ATOM 1364 CA SER A 96 6.297 -3.928 5.471 1.00 0.00 C ATOM 1365 C SER A 96 6.738 -5.300 5.972 1.00 0.00 C ATOM 1366 O SER A 96 7.843 -5.475 6.487 1.00 0.00 O ATOM 1367 CB SER A 96 6.573 -3.808 3.971 1.00 0.00 C ATOM 1368 OG SER A 96 6.586 -5.082 3.351 1.00 0.00 O ATOM 0 H SER A 96 7.858 -2.562 5.776 1.00 0.00 H new ATOM 0 HA SER A 96 5.226 -3.823 5.646 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.811 -3.182 3.507 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.531 -3.313 3.813 1.00 0.00 H new ATOM 0 HG SER A 96 6.763 -4.978 2.393 1.00 0.00 H new ATOM 1374 N PRO A 97 5.854 -6.297 5.820 1.00 0.00 N ATOM 1375 CA PRO A 97 4.536 -6.100 5.210 1.00 0.00 C ATOM 1376 C PRO A 97 3.605 -5.278 6.095 1.00 0.00 C ATOM 1377 O PRO A 97 3.639 -5.389 7.321 1.00 0.00 O ATOM 1378 CB PRO A 97 4.002 -7.525 5.051 1.00 0.00 C ATOM 1379 CG PRO A 97 4.710 -8.315 6.097 1.00 0.00 C ATOM 1380 CD PRO A 97 6.073 -7.694 6.232 1.00 0.00 C ATOM 0 HA PRO A 97 4.599 -5.547 4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 97 2.922 -7.561 5.192 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.207 -7.915 4.054 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.170 -8.282 7.043 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.786 -9.364 5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.444 -7.758 7.255 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.806 -8.190 5.596 1.00 0.00 H new ATOM 1388 N PHE A 98 2.773 -4.454 5.467 1.00 0.00 N ATOM 1389 CA PHE A 98 1.832 -3.613 6.198 1.00 0.00 C ATOM 1390 C PHE A 98 0.547 -4.375 6.506 1.00 0.00 C ATOM 1391 O PHE A 98 -0.277 -4.607 5.621 1.00 0.00 O ATOM 1392 CB PHE A 98 1.510 -2.352 5.392 1.00 0.00 C ATOM 1393 CG PHE A 98 2.412 -1.193 5.707 1.00 0.00 C ATOM 1394 CD1 PHE A 98 2.495 -0.693 6.997 1.00 0.00 C ATOM 1395 CD2 PHE A 98 3.178 -0.604 4.714 1.00 0.00 C ATOM 1396 CE1 PHE A 98 3.324 0.374 7.289 1.00 0.00 C ATOM 1397 CE2 PHE A 98 4.008 0.463 5.000 1.00 0.00 C ATOM 1398 CZ PHE A 98 4.082 0.952 6.290 1.00 0.00 C ATOM 0 H PHE A 98 2.731 -4.351 4.453 1.00 0.00 H new ATOM 0 HA PHE A 98 2.297 -3.325 7.141 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.584 -2.581 4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.477 -2.061 5.584 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.906 -1.142 7.783 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.126 -0.983 3.704 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.379 0.755 8.298 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.598 0.914 4.216 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.731 1.785 6.517 1.00 0.00 H new ATOM 1408 N ARG A 99 0.384 -4.762 7.767 1.00 0.00 N ATOM 1409 CA ARG A 99 -0.800 -5.500 8.192 1.00 0.00 C ATOM 1410 C ARG A 99 -1.977 -4.556 8.416 1.00 0.00 C ATOM 1411 O ARG A 99 -2.057 -3.879 9.442 1.00 0.00 O ATOM 1412 CB ARG A 99 -0.507 -6.280 9.475 1.00 0.00 C ATOM 1413 CG ARG A 99 0.617 -7.293 9.328 1.00 0.00 C ATOM 1414 CD ARG A 99 0.588 -8.324 10.446 1.00 0.00 C ATOM 1415 NE ARG A 99 1.008 -7.756 11.725 1.00 0.00 N ATOM 1416 CZ ARG A 99 1.153 -8.471 12.835 1.00 0.00 C ATOM 1417 NH1 ARG A 99 0.913 -9.775 12.823 1.00 0.00 N ATOM 1418 NH2 ARG A 99 1.539 -7.883 13.959 1.00 0.00 N ATOM 0 H ARG A 99 1.056 -4.577 8.512 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.064 -6.201 7.401 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.250 -5.577 10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -1.413 -6.798 9.790 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.531 -7.796 8.365 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.577 -6.776 9.333 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.420 -8.727 10.542 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.241 -9.158 10.188 1.00 0.00 H new ATOM 0 HE ARG A 99 1.200 -6.755 11.768 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.616 -10.231 11.960 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.025 -10.322 13.677 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.725 -6.880 13.972 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.650 -8.433 14.811 1.00 0.00 H new ATOM 1432 N ILE A 100 -2.889 -4.516 7.450 1.00 0.00 N ATOM 1433 CA ILE A 100 -4.062 -3.656 7.543 1.00 0.00 C ATOM 1434 C ILE A 100 -5.341 -4.480 7.645 1.00 0.00 C ATOM 1435 O ILE A 100 -5.452 -5.551 7.048 1.00 0.00 O ATOM 1436 CB ILE A 100 -4.167 -2.714 6.328 1.00 0.00 C ATOM 1437 CG1 ILE A 100 -2.801 -2.102 6.011 1.00 0.00 C ATOM 1438 CG2 ILE A 100 -5.194 -1.623 6.591 1.00 0.00 C ATOM 1439 CD1 ILE A 100 -2.288 -1.176 7.091 1.00 0.00 C ATOM 0 H ILE A 100 -2.838 -5.069 6.594 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.945 -3.058 8.447 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.494 -3.293 5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.079 -2.904 5.859 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.868 -1.551 5.073 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.257 -0.966 5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.168 -2.077 6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.894 -1.044 7.464 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.316 -0.779 6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.989 -0.353 7.228 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.188 -1.727 8.026 1.00 0.00 H new ATOM 1451 N HIS A 101 -6.307 -3.972 8.404 1.00 0.00 N ATOM 1452 CA HIS A 101 -7.581 -4.660 8.582 1.00 0.00 C ATOM 1453 C HIS A 101 -8.711 -3.896 7.898 1.00 0.00 C ATOM 1454 O HIS A 101 -8.818 -2.678 8.029 1.00 0.00 O ATOM 1455 CB HIS A 101 -7.890 -4.826 10.070 1.00 0.00 C ATOM 1456 CG HIS A 101 -8.704 -6.045 10.380 1.00 0.00 C ATOM 1457 ND1 HIS A 101 -8.268 -7.048 11.219 1.00 0.00 N ATOM 1458 CD2 HIS A 101 -9.935 -6.418 9.958 1.00 0.00 C ATOM 1459 CE1 HIS A 101 -9.194 -7.986 11.299 1.00 0.00 C ATOM 1460 NE2 HIS A 101 -10.217 -7.628 10.543 1.00 0.00 N ATOM 0 H HIS A 101 -6.232 -3.087 8.905 1.00 0.00 H new ATOM 0 HA HIS A 101 -7.502 -5.645 8.122 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -6.953 -4.874 10.624 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -8.424 -3.943 10.423 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.576 -5.867 9.286 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -9.127 -8.892 11.883 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.076 -8.163 10.415 1.00 0.00 H new ATOM 1469 N ALA A 102 -9.551 -4.622 7.167 1.00 0.00 N ATOM 1470 CA ALA A 102 -10.673 -4.013 6.463 1.00 0.00 C ATOM 1471 C ALA A 102 -12.002 -4.448 7.070 1.00 0.00 C ATOM 1472 O ALA A 102 -12.333 -5.635 7.081 1.00 0.00 O ATOM 1473 CB ALA A 102 -10.624 -4.369 4.984 1.00 0.00 C ATOM 0 H ALA A 102 -9.476 -5.632 7.047 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.592 -2.931 6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -11.468 -3.908 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.692 -4.003 4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.677 -5.452 4.868 1.00 0.00 H new ATOM 1479 N LEU A 103 -12.761 -3.482 7.574 1.00 0.00 N ATOM 1480 CA LEU A 103 -14.056 -3.765 8.184 1.00 0.00 C ATOM 1481 C LEU A 103 -15.186 -3.570 7.178 1.00 0.00 C ATOM 1482 O LEU A 103 -15.189 -2.627 6.386 1.00 0.00 O ATOM 1483 CB LEU A 103 -14.278 -2.863 9.399 1.00 0.00 C ATOM 1484 CG LEU A 103 -13.125 -2.792 10.401 1.00 0.00 C ATOM 1485 CD1 LEU A 103 -13.240 -1.541 11.258 1.00 0.00 C ATOM 1486 CD2 LEU A 103 -13.100 -4.038 11.275 1.00 0.00 C ATOM 0 H LEU A 103 -12.502 -2.495 7.573 1.00 0.00 H new ATOM 0 HA LEU A 103 -14.058 -4.806 8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -14.487 -1.854 9.044 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -15.169 -3.207 9.924 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.189 -2.743 9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.411 -1.507 11.965 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.208 -0.658 10.619 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.183 -1.560 11.805 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.273 -3.970 11.982 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.039 -4.118 11.822 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.970 -4.920 10.648 1.00 0.00 H new ATOM 1498 N PRO A 104 -16.171 -4.480 7.210 1.00 0.00 N ATOM 1499 CA PRO A 104 -17.327 -4.427 6.310 1.00 0.00 C ATOM 1500 C PRO A 104 -18.259 -3.263 6.630 1.00 0.00 C ATOM 1501 O PRO A 104 -19.097 -3.354 7.527 1.00 0.00 O ATOM 1502 CB PRO A 104 -18.033 -5.762 6.561 1.00 0.00 C ATOM 1503 CG PRO A 104 -17.631 -6.149 7.943 1.00 0.00 C ATOM 1504 CD PRO A 104 -16.233 -5.629 8.128 1.00 0.00 C ATOM 0 HA PRO A 104 -17.029 -4.275 5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -19.115 -5.660 6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -17.727 -6.515 5.834 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -18.308 -5.719 8.681 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -17.665 -7.231 8.071 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -16.049 -5.329 9.160 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -15.487 -6.384 7.878 1.00 0.00 H new