USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 689 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 12 LYS NZ :NH3+ -123:sc= -0.0696 (180deg=-0.865) USER MOD Set 1.2: A 79 SER OG : rot -170:sc=-0.00284 USER MOD Set 2.1: A 74 SER OG : rot 27:sc= -0.786 USER MOD Set 2.2: A 76 HIS : no HD1:sc= -1.58 K(o=-2.4,f=-3.8) USER MOD Set 3.1: A 51 ASN : amide:sc= -1.34! C(o=-2.3!,f=-7.5!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.986! F(o=-3.1,f=-2.3!) USER MOD Set 4.1: A 50 THR OG1 : rot 130:sc= 0.0675 USER MOD Set 4.2: A 81 LYS NZ :NH3+ -161:sc= 0.0672 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -2.97 K(o=-3,f=-5.1) USER MOD Single : A 19 LYS NZ :NH3+ -108:sc= 1.17 (180deg=-0.0805) USER MOD Single : A 23 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.02) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= -0.0506 (180deg=-0.364) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 137:sc= -0.362 (180deg=-1.82!) USER MOD Single : A 48 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-5!) USER MOD Single : A 49 TYR OH : rot 150:sc=-0.00173 USER MOD Single : A 59 THR OG1 : rot 180:sc=-0.00866 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.401 F(o=-2,f=-0.4) USER MOD Single : A 66 LYS NZ :NH3+ -133:sc= -0.0583 (180deg=-0.922) USER MOD Single : A 77 MET CE :methyl -114:sc= -0.801 (180deg=-2.04!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -2.038 12.698 -9.858 1.00 0.00 N ATOM 67 CA ASP A 8 -1.328 11.648 -9.138 1.00 0.00 C ATOM 68 C ASP A 8 -2.233 10.993 -8.099 1.00 0.00 C ATOM 69 O ASP A 8 -3.325 11.486 -7.814 1.00 0.00 O ATOM 70 CB ASP A 8 -0.081 12.218 -8.459 1.00 0.00 C ATOM 71 CG ASP A 8 0.693 13.155 -9.365 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.326 14.347 -9.440 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.668 12.698 -9.997 1.00 0.00 O ATOM 0 HA ASP A 8 -1.025 10.889 -9.859 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.375 12.751 -7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.567 11.398 -8.149 1.00 0.00 H new ATOM 78 N VAL A 9 -1.773 9.880 -7.538 1.00 0.00 N ATOM 79 CA VAL A 9 -2.541 9.157 -6.531 1.00 0.00 C ATOM 80 C VAL A 9 -1.894 9.276 -5.156 1.00 0.00 C ATOM 81 O VAL A 9 -1.089 8.432 -4.762 1.00 0.00 O ATOM 82 CB VAL A 9 -2.680 7.667 -6.894 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.453 6.924 -5.814 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.355 7.509 -8.248 1.00 0.00 C ATOM 0 H VAL A 9 -0.872 9.459 -7.764 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.532 9.610 -6.503 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.683 7.232 -6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.541 5.873 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.924 7.009 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.448 7.358 -5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.445 6.450 -8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.347 7.959 -8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.757 8.005 -9.013 1.00 0.00 H new ATOM 94 N ARG A 10 -2.250 10.330 -4.429 1.00 0.00 N ATOM 95 CA ARG A 10 -1.703 10.561 -3.098 1.00 0.00 C ATOM 96 C ARG A 10 -1.850 9.316 -2.227 1.00 0.00 C ATOM 97 O ARG A 10 -2.960 8.935 -1.852 1.00 0.00 O ATOM 98 CB ARG A 10 -2.404 11.747 -2.433 1.00 0.00 C ATOM 99 CG ARG A 10 -1.531 12.489 -1.435 1.00 0.00 C ATOM 100 CD ARG A 10 -2.361 13.374 -0.518 1.00 0.00 C ATOM 101 NE ARG A 10 -1.551 13.990 0.529 1.00 0.00 N ATOM 102 CZ ARG A 10 -2.020 14.887 1.389 1.00 0.00 C ATOM 103 NH1 ARG A 10 -3.288 15.271 1.326 1.00 0.00 N ATOM 104 NH2 ARG A 10 -1.221 15.403 2.314 1.00 0.00 N ATOM 0 H ARG A 10 -2.915 11.038 -4.740 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.642 10.788 -3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.732 12.444 -3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.300 11.390 -1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.968 11.771 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.803 13.099 -1.970 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.845 14.153 -1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.153 12.781 -0.061 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.571 13.716 0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.905 14.877 0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.646 15.960 1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.245 15.111 2.365 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.583 16.092 2.974 1.00 0.00 H new ATOM 118 N VAL A 11 -0.724 8.687 -1.908 1.00 0.00 N ATOM 119 CA VAL A 11 -0.727 7.486 -1.081 1.00 0.00 C ATOM 120 C VAL A 11 0.039 7.711 0.218 1.00 0.00 C ATOM 121 O VAL A 11 1.137 8.266 0.216 1.00 0.00 O ATOM 122 CB VAL A 11 -0.109 6.289 -1.827 1.00 0.00 C ATOM 123 CG1 VAL A 11 -0.074 5.060 -0.931 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.881 6.003 -3.107 1.00 0.00 C ATOM 0 H VAL A 11 0.202 8.989 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.769 7.263 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 11 0.917 6.542 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.366 4.225 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.526 5.272 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.089 4.801 -0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.431 5.154 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.918 5.771 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.848 6.879 -3.755 1.00 0.00 H new ATOM 134 N LYS A 12 -0.549 7.276 1.327 1.00 0.00 N ATOM 135 CA LYS A 12 0.077 7.428 2.635 1.00 0.00 C ATOM 136 C LYS A 12 0.469 6.071 3.212 1.00 0.00 C ATOM 137 O LYS A 12 -0.291 5.106 3.126 1.00 0.00 O ATOM 138 CB LYS A 12 -0.870 8.148 3.597 1.00 0.00 C ATOM 139 CG LYS A 12 -0.192 8.643 4.863 1.00 0.00 C ATOM 140 CD LYS A 12 -1.203 8.939 5.958 1.00 0.00 C ATOM 141 CE LYS A 12 -2.041 10.164 5.626 1.00 0.00 C ATOM 142 NZ LYS A 12 -3.260 9.808 4.847 1.00 0.00 N ATOM 0 H LYS A 12 -1.459 6.815 1.346 1.00 0.00 H new ATOM 0 HA LYS A 12 0.980 8.025 2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.322 8.996 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.680 7.472 3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.517 7.893 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.380 9.544 4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.855 8.077 6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.682 9.098 6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.333 10.665 6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.439 10.872 5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.266 10.337 3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.258 8.787 4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.108 10.051 5.398 1.00 0.00 H new ATOM 156 N PHE A 13 1.659 6.004 3.799 1.00 0.00 N ATOM 157 CA PHE A 13 2.152 4.766 4.390 1.00 0.00 C ATOM 158 C PHE A 13 2.120 4.840 5.914 1.00 0.00 C ATOM 159 O PHE A 13 2.118 5.926 6.493 1.00 0.00 O ATOM 160 CB PHE A 13 3.577 4.478 3.912 1.00 0.00 C ATOM 161 CG PHE A 13 3.660 4.128 2.454 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.998 3.017 1.956 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.401 4.909 1.582 1.00 0.00 C ATOM 164 CE1 PHE A 13 3.074 2.692 0.615 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.480 4.589 0.239 1.00 0.00 C ATOM 166 CZ PHE A 13 3.815 3.480 -0.245 1.00 0.00 C ATOM 0 H PHE A 13 2.300 6.793 3.878 1.00 0.00 H new ATOM 0 HA PHE A 13 1.498 3.955 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.200 5.352 4.104 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.990 3.657 4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.416 2.398 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.923 5.778 1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.555 1.823 0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.061 5.206 -0.430 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.874 3.229 -1.294 1.00 0.00 H new ATOM 176 N GLU A 14 2.094 3.676 6.557 1.00 0.00 N ATOM 177 CA GLU A 14 2.061 3.609 8.013 1.00 0.00 C ATOM 178 C GLU A 14 2.709 2.322 8.514 1.00 0.00 C ATOM 179 O GLU A 14 2.394 1.230 8.040 1.00 0.00 O ATOM 180 CB GLU A 14 0.619 3.697 8.517 1.00 0.00 C ATOM 181 CG GLU A 14 0.160 5.116 8.805 1.00 0.00 C ATOM 182 CD GLU A 14 -1.347 5.268 8.732 1.00 0.00 C ATOM 183 OE1 GLU A 14 -1.989 4.470 8.017 1.00 0.00 O ATOM 184 OE2 GLU A 14 -1.885 6.184 9.389 1.00 0.00 O ATOM 0 H GLU A 14 2.095 2.768 6.093 1.00 0.00 H new ATOM 0 HA GLU A 14 2.627 4.455 8.403 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.044 3.253 7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.524 3.102 9.425 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.503 5.411 9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.625 5.796 8.091 1.00 0.00 H new ATOM 191 N HIS A 15 3.618 2.458 9.474 1.00 0.00 N ATOM 192 CA HIS A 15 4.311 1.306 10.040 1.00 0.00 C ATOM 193 C HIS A 15 4.867 1.632 11.423 1.00 0.00 C ATOM 194 O HIS A 15 5.753 2.475 11.564 1.00 0.00 O ATOM 195 CB HIS A 15 5.444 0.861 9.114 1.00 0.00 C ATOM 196 CG HIS A 15 5.896 -0.546 9.355 1.00 0.00 C ATOM 197 ND1 HIS A 15 6.023 -1.091 10.616 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.250 -1.523 8.488 1.00 0.00 C ATOM 199 CE1 HIS A 15 6.438 -2.341 10.514 1.00 0.00 C ATOM 200 NE2 HIS A 15 6.583 -2.628 9.233 1.00 0.00 N ATOM 0 H HIS A 15 3.892 3.354 9.876 1.00 0.00 H new ATOM 0 HA HIS A 15 3.592 0.493 10.139 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.115 0.956 8.079 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.292 1.533 9.242 1.00 0.00 H new ATOM 0 HD1 HIS A 15 5.827 -0.605 11.491 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.267 -1.448 7.411 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.627 -3.014 11.338 1.00 0.00 H new ATOM 209 N ARG A 16 4.340 0.959 12.441 1.00 0.00 N ATOM 210 CA ARG A 16 4.783 1.178 13.812 1.00 0.00 C ATOM 211 C ARG A 16 4.874 2.670 14.122 1.00 0.00 C ATOM 212 O ARG A 16 5.809 3.121 14.782 1.00 0.00 O ATOM 213 CB ARG A 16 6.141 0.514 14.045 1.00 0.00 C ATOM 214 CG ARG A 16 6.046 -0.968 14.372 1.00 0.00 C ATOM 215 CD ARG A 16 7.355 -1.686 14.082 1.00 0.00 C ATOM 216 NE ARG A 16 8.246 -1.688 15.239 1.00 0.00 N ATOM 217 CZ ARG A 16 9.456 -2.237 15.234 1.00 0.00 C ATOM 218 NH1 ARG A 16 9.916 -2.825 14.139 1.00 0.00 N ATOM 219 NH2 ARG A 16 10.208 -2.198 16.327 1.00 0.00 N ATOM 0 H ARG A 16 3.606 0.258 12.342 1.00 0.00 H new ATOM 0 HA ARG A 16 4.048 0.729 14.480 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.756 0.642 13.154 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.651 1.026 14.861 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.785 -1.094 15.423 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.244 -1.420 13.788 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.146 -2.713 13.783 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.854 -1.205 13.241 1.00 0.00 H new ATOM 0 HE ARG A 16 7.922 -1.244 16.098 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.341 -2.857 13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.845 -3.246 14.138 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.857 -1.746 17.172 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.137 -2.620 16.322 1.00 0.00 H new ATOM 233 N GLY A 17 3.896 3.430 13.640 1.00 0.00 N ATOM 234 CA GLY A 17 3.885 4.862 13.875 1.00 0.00 C ATOM 235 C GLY A 17 4.453 5.645 12.708 1.00 0.00 C ATOM 236 O GLY A 17 3.953 6.717 12.370 1.00 0.00 O ATOM 0 H GLY A 17 3.111 3.080 13.091 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.862 5.188 14.064 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.462 5.084 14.773 1.00 0.00 H new ATOM 240 N GLU A 18 5.503 5.110 12.094 1.00 0.00 N ATOM 241 CA GLU A 18 6.142 5.768 10.960 1.00 0.00 C ATOM 242 C GLU A 18 5.168 5.908 9.793 1.00 0.00 C ATOM 243 O GLU A 18 4.554 4.932 9.362 1.00 0.00 O ATOM 244 CB GLU A 18 7.378 4.984 10.516 1.00 0.00 C ATOM 245 CG GLU A 18 8.582 5.181 11.422 1.00 0.00 C ATOM 246 CD GLU A 18 9.419 6.381 11.026 1.00 0.00 C ATOM 247 OE1 GLU A 18 9.144 7.490 11.531 1.00 0.00 O ATOM 248 OE2 GLU A 18 10.350 6.212 10.211 1.00 0.00 O ATOM 0 H GLU A 18 5.929 4.223 12.362 1.00 0.00 H new ATOM 0 HA GLU A 18 6.448 6.765 11.277 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.131 3.923 10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.644 5.284 9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.242 5.303 12.450 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.202 4.285 11.396 1.00 0.00 H new ATOM 255 N LYS A 19 5.032 7.129 9.287 1.00 0.00 N ATOM 256 CA LYS A 19 4.134 7.398 8.170 1.00 0.00 C ATOM 257 C LYS A 19 4.833 8.232 7.100 1.00 0.00 C ATOM 258 O LYS A 19 5.609 9.135 7.412 1.00 0.00 O ATOM 259 CB LYS A 19 2.881 8.126 8.660 1.00 0.00 C ATOM 260 CG LYS A 19 3.174 9.262 9.624 1.00 0.00 C ATOM 261 CD LYS A 19 3.413 10.570 8.887 1.00 0.00 C ATOM 262 CE LYS A 19 4.371 11.472 9.650 1.00 0.00 C ATOM 263 NZ LYS A 19 5.785 11.029 9.503 1.00 0.00 N ATOM 0 H LYS A 19 5.532 7.948 9.633 1.00 0.00 H new ATOM 0 HA LYS A 19 3.844 6.443 7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.341 8.521 7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.222 7.408 9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.339 9.379 10.314 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.050 9.015 10.223 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.818 10.362 7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.464 11.086 8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.272 12.496 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.100 11.479 10.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.114 10.614 10.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.849 10.317 8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.381 11.846 9.260 1.00 0.00 H new ATOM 277 N ARG A 20 4.550 7.925 5.839 1.00 0.00 N ATOM 278 CA ARG A 20 5.151 8.646 4.723 1.00 0.00 C ATOM 279 C ARG A 20 4.217 8.658 3.517 1.00 0.00 C ATOM 280 O ARG A 20 3.661 7.625 3.140 1.00 0.00 O ATOM 281 CB ARG A 20 6.489 8.012 4.339 1.00 0.00 C ATOM 282 CG ARG A 20 7.682 8.633 5.047 1.00 0.00 C ATOM 283 CD ARG A 20 7.876 10.086 4.641 1.00 0.00 C ATOM 284 NE ARG A 20 7.153 11.000 5.520 1.00 0.00 N ATOM 285 CZ ARG A 20 6.811 12.236 5.173 1.00 0.00 C ATOM 286 NH1 ARG A 20 7.124 12.702 3.972 1.00 0.00 N ATOM 287 NH2 ARG A 20 6.153 13.009 6.029 1.00 0.00 N ATOM 0 H ARG A 20 3.908 7.182 5.564 1.00 0.00 H new ATOM 0 HA ARG A 20 5.322 9.675 5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.456 6.947 4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.629 8.103 3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.539 8.571 6.126 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.582 8.065 4.812 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.938 10.329 4.660 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.536 10.224 3.615 1.00 0.00 H new ATOM 0 HE ARG A 20 6.896 10.672 6.451 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.629 12.111 3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.860 13.651 3.709 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.910 12.654 6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.891 13.958 5.762 1.00 0.00 H new ATOM 301 N ILE A 21 4.049 9.831 2.916 1.00 0.00 N ATOM 302 CA ILE A 21 3.183 9.976 1.753 1.00 0.00 C ATOM 303 C ILE A 21 3.999 10.082 0.469 1.00 0.00 C ATOM 304 O ILE A 21 5.098 10.639 0.464 1.00 0.00 O ATOM 305 CB ILE A 21 2.278 11.216 1.876 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.352 11.081 3.087 1.00 0.00 C ATOM 307 CG2 ILE A 21 1.468 11.409 0.602 1.00 0.00 C ATOM 308 CD1 ILE A 21 0.742 12.392 3.530 1.00 0.00 C ATOM 0 H ILE A 21 4.501 10.695 3.215 1.00 0.00 H new ATOM 0 HA ILE A 21 2.559 9.083 1.712 1.00 0.00 H new ATOM 0 HB ILE A 21 2.908 12.094 2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.552 10.380 2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.913 10.652 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.833 12.289 0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.144 11.545 -0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.846 10.531 0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.098 12.221 4.392 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.535 13.089 3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.153 12.813 2.715 1.00 0.00 H new ATOM 320 N LEU A 22 3.455 9.546 -0.617 1.00 0.00 N ATOM 321 CA LEU A 22 4.132 9.582 -1.909 1.00 0.00 C ATOM 322 C LEU A 22 3.188 10.066 -3.006 1.00 0.00 C ATOM 323 O LEU A 22 2.029 10.385 -2.743 1.00 0.00 O ATOM 324 CB LEU A 22 4.674 8.195 -2.262 1.00 0.00 C ATOM 325 CG LEU A 22 5.878 7.719 -1.449 1.00 0.00 C ATOM 326 CD1 LEU A 22 7.070 8.635 -1.674 1.00 0.00 C ATOM 327 CD2 LEU A 22 5.529 7.647 0.030 1.00 0.00 C ATOM 0 H LEU A 22 2.547 9.081 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 22 4.964 10.283 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.869 7.470 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.949 8.192 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 22 6.147 6.718 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.917 8.280 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.335 8.634 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.814 9.648 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.398 7.306 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.233 8.635 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.706 6.948 0.176 1.00 0.00 H new ATOM 339 N GLN A 23 3.693 10.115 -4.234 1.00 0.00 N ATOM 340 CA GLN A 23 2.893 10.558 -5.370 1.00 0.00 C ATOM 341 C GLN A 23 3.155 9.685 -6.593 1.00 0.00 C ATOM 342 O GLN A 23 4.244 9.712 -7.167 1.00 0.00 O ATOM 343 CB GLN A 23 3.201 12.020 -5.698 1.00 0.00 C ATOM 344 CG GLN A 23 2.524 13.008 -4.762 1.00 0.00 C ATOM 345 CD GLN A 23 2.466 14.410 -5.335 1.00 0.00 C ATOM 346 OE1 GLN A 23 2.921 15.369 -4.711 1.00 0.00 O ATOM 347 NE2 GLN A 23 1.904 14.538 -6.532 1.00 0.00 N ATOM 0 H GLN A 23 4.651 9.854 -4.468 1.00 0.00 H new ATOM 0 HA GLN A 23 1.841 10.467 -5.099 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.279 12.174 -5.657 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.888 12.228 -6.721 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.512 12.665 -4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.060 13.029 -3.813 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.539 13.717 -7.015 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.837 15.458 -6.968 1.00 0.00 H new ATOM 356 N PHE A 24 2.149 8.912 -6.988 1.00 0.00 N ATOM 357 CA PHE A 24 2.271 8.029 -8.143 1.00 0.00 C ATOM 358 C PHE A 24 1.344 8.477 -9.269 1.00 0.00 C ATOM 359 O PHE A 24 0.120 8.387 -9.173 1.00 0.00 O ATOM 360 CB PHE A 24 1.949 6.587 -7.745 1.00 0.00 C ATOM 361 CG PHE A 24 2.788 6.077 -6.609 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.419 6.317 -5.295 1.00 0.00 C ATOM 363 CD2 PHE A 24 3.946 5.357 -6.855 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.190 5.850 -4.248 1.00 0.00 C ATOM 365 CE2 PHE A 24 4.721 4.886 -5.811 1.00 0.00 C ATOM 366 CZ PHE A 24 4.342 5.132 -4.506 1.00 0.00 C ATOM 0 H PHE A 24 1.240 8.879 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 24 3.299 8.079 -8.501 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.897 6.522 -7.467 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.091 5.939 -8.610 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.518 6.876 -5.087 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.247 5.161 -7.874 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.892 6.046 -3.228 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.622 4.326 -6.016 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.945 4.764 -3.689 1.00 0.00 H new ATOM 376 N PRO A 25 1.941 8.972 -10.364 1.00 0.00 N ATOM 377 CA PRO A 25 1.189 9.444 -11.530 1.00 0.00 C ATOM 378 C PRO A 25 0.521 8.303 -12.291 1.00 0.00 C ATOM 379 O PRO A 25 1.196 7.422 -12.824 1.00 0.00 O ATOM 380 CB PRO A 25 2.260 10.110 -12.398 1.00 0.00 C ATOM 381 CG PRO A 25 3.533 9.441 -12.007 1.00 0.00 C ATOM 382 CD PRO A 25 3.395 9.109 -10.547 1.00 0.00 C ATOM 0 HA PRO A 25 0.375 10.111 -11.246 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.051 9.974 -13.459 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.305 11.184 -12.217 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.698 8.540 -12.598 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.387 10.096 -12.179 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.920 8.188 -10.293 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.807 9.896 -9.915 1.00 0.00 H new ATOM 390 N ARG A 26 -0.807 8.325 -12.336 1.00 0.00 N ATOM 391 CA ARG A 26 -1.565 7.292 -13.031 1.00 0.00 C ATOM 392 C ARG A 26 -1.063 7.118 -14.462 1.00 0.00 C ATOM 393 O ARG A 26 -0.635 8.070 -15.115 1.00 0.00 O ATOM 394 CB ARG A 26 -3.054 7.641 -13.040 1.00 0.00 C ATOM 395 CG ARG A 26 -3.777 7.257 -11.759 1.00 0.00 C ATOM 396 CD ARG A 26 -5.207 7.775 -11.750 1.00 0.00 C ATOM 397 NE ARG A 26 -5.751 7.856 -10.397 1.00 0.00 N ATOM 398 CZ ARG A 26 -6.805 8.597 -10.072 1.00 0.00 C ATOM 399 NH1 ARG A 26 -7.425 9.316 -10.997 1.00 0.00 N ATOM 400 NH2 ARG A 26 -7.241 8.619 -8.819 1.00 0.00 N ATOM 0 H ARG A 26 -1.380 9.047 -11.899 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.423 6.352 -12.498 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.166 8.713 -13.203 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.531 7.139 -13.881 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.781 6.172 -11.653 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.238 7.659 -10.901 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.238 8.761 -12.213 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.834 7.119 -12.354 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.297 7.314 -9.662 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.093 9.301 -11.961 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.234 9.884 -10.744 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.767 8.067 -8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.050 9.188 -8.570 1.00 0.00 H new ATOM 414 N PRO A 27 -1.116 5.875 -14.961 1.00 0.00 N ATOM 415 CA PRO A 27 -1.623 4.734 -14.193 1.00 0.00 C ATOM 416 C PRO A 27 -0.690 4.342 -13.053 1.00 0.00 C ATOM 417 O PRO A 27 0.532 4.432 -13.178 1.00 0.00 O ATOM 418 CB PRO A 27 -1.700 3.612 -15.231 1.00 0.00 C ATOM 419 CG PRO A 27 -0.692 3.983 -16.264 1.00 0.00 C ATOM 420 CD PRO A 27 -0.685 5.486 -16.314 1.00 0.00 C ATOM 0 HA PRO A 27 -2.577 4.957 -13.715 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.472 2.644 -14.785 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.699 3.538 -15.661 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.294 3.597 -16.004 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.954 3.561 -17.234 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.306 5.876 -16.547 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.365 5.866 -17.077 1.00 0.00 H new ATOM 428 N VAL A 28 -1.272 3.905 -11.940 1.00 0.00 N ATOM 429 CA VAL A 28 -0.491 3.497 -10.778 1.00 0.00 C ATOM 430 C VAL A 28 -0.042 2.046 -10.900 1.00 0.00 C ATOM 431 O VAL A 28 -0.813 1.178 -11.311 1.00 0.00 O ATOM 432 CB VAL A 28 -1.294 3.667 -9.475 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.449 3.279 -8.272 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.799 5.096 -9.343 1.00 0.00 C ATOM 0 H VAL A 28 -2.282 3.825 -11.819 1.00 0.00 H new ATOM 0 HA VAL A 28 0.386 4.144 -10.743 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.157 3.002 -9.512 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.033 3.406 -7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.142 2.237 -8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.435 3.915 -8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.364 5.198 -8.417 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.952 5.781 -9.328 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.443 5.334 -10.189 1.00 0.00 H new ATOM 444 N LYS A 29 1.210 1.787 -10.539 1.00 0.00 N ATOM 445 CA LYS A 29 1.764 0.440 -10.606 1.00 0.00 C ATOM 446 C LYS A 29 2.013 -0.115 -9.207 1.00 0.00 C ATOM 447 O LYS A 29 2.637 0.539 -8.370 1.00 0.00 O ATOM 448 CB LYS A 29 3.068 0.441 -11.406 1.00 0.00 C ATOM 449 CG LYS A 29 2.912 0.964 -12.823 1.00 0.00 C ATOM 450 CD LYS A 29 2.320 -0.091 -13.744 1.00 0.00 C ATOM 451 CE LYS A 29 1.626 0.541 -14.941 1.00 0.00 C ATOM 452 NZ LYS A 29 1.150 -0.484 -15.911 1.00 0.00 N ATOM 0 H LYS A 29 1.861 2.493 -10.196 1.00 0.00 H new ATOM 0 HA LYS A 29 1.039 -0.200 -11.108 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.805 1.050 -10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.462 -0.575 -11.444 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.271 1.845 -12.818 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.883 1.278 -13.205 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.110 -0.758 -14.090 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.607 -0.701 -13.189 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.780 1.137 -14.598 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.314 1.223 -15.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.683 -0.013 -16.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.960 -1.036 -16.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.474 -1.119 -15.441 1.00 0.00 H new ATOM 466 N LEU A 30 1.524 -1.325 -8.960 1.00 0.00 N ATOM 467 CA LEU A 30 1.696 -1.970 -7.663 1.00 0.00 C ATOM 468 C LEU A 30 3.169 -2.020 -7.270 1.00 0.00 C ATOM 469 O LEU A 30 3.521 -1.784 -6.115 1.00 0.00 O ATOM 470 CB LEU A 30 1.116 -3.385 -7.693 1.00 0.00 C ATOM 471 CG LEU A 30 1.341 -4.230 -6.439 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.473 -3.730 -5.295 1.00 0.00 C ATOM 473 CD2 LEU A 30 1.056 -5.697 -6.726 1.00 0.00 C ATOM 0 H LEU A 30 1.005 -1.879 -9.641 1.00 0.00 H new ATOM 0 HA LEU A 30 1.160 -1.381 -6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.043 -3.312 -7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.544 -3.914 -8.545 1.00 0.00 H new ATOM 0 HG LEU A 30 2.386 -4.135 -6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.647 -4.344 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.726 -2.693 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.577 -3.794 -5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.221 -6.283 -5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.021 -5.810 -7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.721 -6.050 -7.514 1.00 0.00 H new ATOM 485 N GLU A 31 4.025 -2.327 -8.240 1.00 0.00 N ATOM 486 CA GLU A 31 5.460 -2.406 -7.995 1.00 0.00 C ATOM 487 C GLU A 31 6.002 -1.068 -7.502 1.00 0.00 C ATOM 488 O GLU A 31 6.817 -1.018 -6.580 1.00 0.00 O ATOM 489 CB GLU A 31 6.195 -2.828 -9.269 1.00 0.00 C ATOM 490 CG GLU A 31 6.481 -1.676 -10.217 1.00 0.00 C ATOM 491 CD GLU A 31 7.025 -2.142 -11.553 1.00 0.00 C ATOM 492 OE1 GLU A 31 6.372 -2.987 -12.199 1.00 0.00 O ATOM 493 OE2 GLU A 31 8.106 -1.660 -11.954 1.00 0.00 O ATOM 0 H GLU A 31 3.750 -2.525 -9.202 1.00 0.00 H new ATOM 0 HA GLU A 31 5.630 -3.155 -7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.137 -3.304 -8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.599 -3.577 -9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.565 -1.108 -10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.198 -0.998 -9.753 1.00 0.00 H new ATOM 500 N ASP A 32 5.546 0.014 -8.123 1.00 0.00 N ATOM 501 CA ASP A 32 5.984 1.353 -7.748 1.00 0.00 C ATOM 502 C ASP A 32 5.695 1.627 -6.275 1.00 0.00 C ATOM 503 O ASP A 32 6.577 2.053 -5.528 1.00 0.00 O ATOM 504 CB ASP A 32 5.291 2.402 -8.620 1.00 0.00 C ATOM 505 CG ASP A 32 5.971 2.579 -9.963 1.00 0.00 C ATOM 506 OD1 ASP A 32 7.196 2.345 -10.044 1.00 0.00 O ATOM 507 OD2 ASP A 32 5.279 2.951 -10.933 1.00 0.00 O ATOM 0 H ASP A 32 4.873 -0.010 -8.889 1.00 0.00 H new ATOM 0 HA ASP A 32 7.061 1.414 -7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.252 2.111 -8.777 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.278 3.357 -8.094 1.00 0.00 H new ATOM 512 N LEU A 33 4.456 1.381 -5.865 1.00 0.00 N ATOM 513 CA LEU A 33 4.051 1.601 -4.481 1.00 0.00 C ATOM 514 C LEU A 33 5.009 0.912 -3.516 1.00 0.00 C ATOM 515 O LEU A 33 5.440 1.502 -2.525 1.00 0.00 O ATOM 516 CB LEU A 33 2.627 1.088 -4.258 1.00 0.00 C ATOM 517 CG LEU A 33 1.499 2.027 -4.687 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.256 1.233 -5.058 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.187 3.025 -3.582 1.00 0.00 C ATOM 0 H LEU A 33 3.715 1.029 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 33 4.079 2.673 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.513 0.147 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.504 0.866 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 33 1.827 2.581 -5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.536 1.918 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.488 0.559 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.075 0.653 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.382 3.685 -3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.879 2.489 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.076 3.617 -3.364 1.00 0.00 H new ATOM 531 N ARG A 34 5.342 -0.340 -3.813 1.00 0.00 N ATOM 532 CA ARG A 34 6.251 -1.110 -2.973 1.00 0.00 C ATOM 533 C ARG A 34 7.659 -0.524 -3.016 1.00 0.00 C ATOM 534 O ARG A 34 8.238 -0.197 -1.980 1.00 0.00 O ATOM 535 CB ARG A 34 6.281 -2.572 -3.423 1.00 0.00 C ATOM 536 CG ARG A 34 4.903 -3.205 -3.527 1.00 0.00 C ATOM 537 CD ARG A 34 4.994 -4.676 -3.904 1.00 0.00 C ATOM 538 NE ARG A 34 3.881 -5.450 -3.361 1.00 0.00 N ATOM 539 CZ ARG A 34 3.900 -6.771 -3.229 1.00 0.00 C ATOM 540 NH1 ARG A 34 4.969 -7.463 -3.599 1.00 0.00 N ATOM 541 NH2 ARG A 34 2.847 -7.404 -2.726 1.00 0.00 N ATOM 0 H ARG A 34 4.995 -0.843 -4.630 1.00 0.00 H new ATOM 0 HA ARG A 34 5.887 -1.061 -1.947 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.775 -2.635 -4.393 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.884 -3.147 -2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.382 -3.104 -2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.312 -2.673 -4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 34 5.007 -4.772 -4.990 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.934 -5.087 -3.537 1.00 0.00 H new ATOM 0 HE ARG A 34 3.043 -4.948 -3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.780 -6.981 -3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.980 -8.478 -3.496 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.023 -6.875 -2.441 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.862 -8.419 -2.625 1.00 0.00 H new ATOM 555 N SER A 35 8.204 -0.395 -4.222 1.00 0.00 N ATOM 556 CA SER A 35 9.546 0.148 -4.400 1.00 0.00 C ATOM 557 C SER A 35 9.762 1.366 -3.508 1.00 0.00 C ATOM 558 O SER A 35 10.697 1.406 -2.707 1.00 0.00 O ATOM 559 CB SER A 35 9.775 0.527 -5.864 1.00 0.00 C ATOM 560 OG SER A 35 11.141 0.393 -6.218 1.00 0.00 O ATOM 0 H SER A 35 7.737 -0.659 -5.090 1.00 0.00 H new ATOM 0 HA SER A 35 10.263 -0.621 -4.114 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.166 -0.108 -6.507 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.452 1.554 -6.032 1.00 0.00 H new ATOM 0 HG SER A 35 11.261 0.639 -7.159 1.00 0.00 H new ATOM 566 N LYS A 36 8.891 2.359 -3.651 1.00 0.00 N ATOM 567 CA LYS A 36 8.984 3.579 -2.859 1.00 0.00 C ATOM 568 C LYS A 36 9.071 3.256 -1.371 1.00 0.00 C ATOM 569 O LYS A 36 10.070 3.559 -0.718 1.00 0.00 O ATOM 570 CB LYS A 36 7.775 4.479 -3.126 1.00 0.00 C ATOM 571 CG LYS A 36 7.695 4.980 -4.558 1.00 0.00 C ATOM 572 CD LYS A 36 8.798 5.979 -4.861 1.00 0.00 C ATOM 573 CE LYS A 36 8.500 7.341 -4.254 1.00 0.00 C ATOM 574 NZ LYS A 36 9.629 8.294 -4.447 1.00 0.00 N ATOM 0 H LYS A 36 8.112 2.342 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 36 9.893 4.105 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.864 3.929 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.814 5.335 -2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.768 4.136 -5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.724 5.446 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.745 5.606 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.914 6.078 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.597 7.751 -4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.299 7.228 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.387 9.210 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.484 7.915 -3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.805 8.422 -5.464 1.00 0.00 H new ATOM 588 N ALA A 37 8.020 2.640 -0.841 1.00 0.00 N ATOM 589 CA ALA A 37 7.980 2.273 0.569 1.00 0.00 C ATOM 590 C ALA A 37 9.243 1.521 0.977 1.00 0.00 C ATOM 591 O ALA A 37 9.692 1.613 2.119 1.00 0.00 O ATOM 592 CB ALA A 37 6.746 1.433 0.861 1.00 0.00 C ATOM 0 H ALA A 37 7.184 2.384 -1.367 1.00 0.00 H new ATOM 0 HA ALA A 37 7.929 3.190 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.729 1.166 1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.851 2.005 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.773 0.525 0.258 1.00 0.00 H new ATOM 598 N LYS A 38 9.811 0.775 0.035 1.00 0.00 N ATOM 599 CA LYS A 38 11.023 0.006 0.295 1.00 0.00 C ATOM 600 C LYS A 38 12.251 0.911 0.297 1.00 0.00 C ATOM 601 O LYS A 38 13.220 0.655 1.012 1.00 0.00 O ATOM 602 CB LYS A 38 11.188 -1.094 -0.755 1.00 0.00 C ATOM 603 CG LYS A 38 12.423 -1.954 -0.546 1.00 0.00 C ATOM 604 CD LYS A 38 12.564 -3.003 -1.636 1.00 0.00 C ATOM 605 CE LYS A 38 14.021 -3.370 -1.872 1.00 0.00 C ATOM 606 NZ LYS A 38 14.787 -2.242 -2.471 1.00 0.00 N ATOM 0 H LYS A 38 9.451 0.687 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 38 10.929 -0.452 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.305 -1.732 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.237 -0.637 -1.743 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.310 -1.321 -0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.366 -2.444 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.003 -3.896 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.128 -2.628 -2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.480 -3.659 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.075 -4.236 -2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.613 -2.615 -2.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.177 -1.721 -3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.106 -1.600 -1.717 1.00 0.00 H new ATOM 620 N ILE A 39 12.202 1.969 -0.506 1.00 0.00 N ATOM 621 CA ILE A 39 13.310 2.912 -0.594 1.00 0.00 C ATOM 622 C ILE A 39 13.242 3.946 0.524 1.00 0.00 C ATOM 623 O ILE A 39 14.263 4.484 0.950 1.00 0.00 O ATOM 624 CB ILE A 39 13.323 3.639 -1.951 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.458 2.631 -3.094 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.456 4.654 -1.997 1.00 0.00 C ATOM 627 CD1 ILE A 39 12.842 3.102 -4.392 1.00 0.00 C ATOM 0 H ILE A 39 11.407 2.194 -1.104 1.00 0.00 H new ATOM 0 HA ILE A 39 14.227 2.332 -0.493 1.00 0.00 H new ATOM 0 HB ILE A 39 12.379 4.171 -2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.515 2.420 -3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.988 1.693 -2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.452 5.160 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.320 5.388 -1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.409 4.142 -1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.976 2.337 -5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.778 3.286 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.328 4.024 -4.712 1.00 0.00 H new ATOM 639 N ALA A 40 12.030 4.220 0.996 1.00 0.00 N ATOM 640 CA ALA A 40 11.828 5.187 2.068 1.00 0.00 C ATOM 641 C ALA A 40 12.321 4.639 3.402 1.00 0.00 C ATOM 642 O ALA A 40 13.090 5.293 4.108 1.00 0.00 O ATOM 643 CB ALA A 40 10.358 5.570 2.163 1.00 0.00 C ATOM 0 H ALA A 40 11.173 3.786 0.653 1.00 0.00 H new ATOM 0 HA ALA A 40 12.410 6.078 1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.222 6.293 2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.035 6.012 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.763 4.680 2.369 1.00 0.00 H new ATOM 649 N PHE A 41 11.875 3.434 3.744 1.00 0.00 N ATOM 650 CA PHE A 41 12.271 2.799 4.995 1.00 0.00 C ATOM 651 C PHE A 41 13.529 1.958 4.804 1.00 0.00 C ATOM 652 O PHE A 41 14.382 1.887 5.688 1.00 0.00 O ATOM 653 CB PHE A 41 11.135 1.924 5.528 1.00 0.00 C ATOM 654 CG PHE A 41 9.936 2.707 5.981 1.00 0.00 C ATOM 655 CD1 PHE A 41 9.298 3.583 5.118 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.447 2.568 7.270 1.00 0.00 C ATOM 657 CE1 PHE A 41 8.194 4.306 5.531 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.344 3.287 7.689 1.00 0.00 C ATOM 659 CZ PHE A 41 7.717 4.158 6.819 1.00 0.00 C ATOM 0 H PHE A 41 11.239 2.878 3.172 1.00 0.00 H new ATOM 0 HA PHE A 41 12.487 3.584 5.720 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.829 1.225 4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.506 1.329 6.362 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.667 3.703 4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.934 1.890 7.955 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.706 4.985 4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.972 3.168 8.696 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.856 4.722 7.145 1.00 0.00 H new ATOM 669 N GLY A 42 13.638 1.321 3.642 1.00 0.00 N ATOM 670 CA GLY A 42 14.794 0.492 3.355 1.00 0.00 C ATOM 671 C GLY A 42 14.586 -0.954 3.760 1.00 0.00 C ATOM 672 O GLY A 42 15.485 -1.584 4.317 1.00 0.00 O ATOM 0 H GLY A 42 12.946 1.364 2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.015 0.539 2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.663 0.891 3.879 1.00 0.00 H new ATOM 676 N GLN A 43 13.398 -1.479 3.482 1.00 0.00 N ATOM 677 CA GLN A 43 13.075 -2.860 3.823 1.00 0.00 C ATOM 678 C GLN A 43 11.797 -3.309 3.123 1.00 0.00 C ATOM 679 O GLN A 43 10.872 -2.519 2.930 1.00 0.00 O ATOM 680 CB GLN A 43 12.920 -3.009 5.338 1.00 0.00 C ATOM 681 CG GLN A 43 14.218 -3.352 6.051 1.00 0.00 C ATOM 682 CD GLN A 43 13.988 -4.023 7.391 1.00 0.00 C ATOM 683 OE1 GLN A 43 14.526 -5.097 7.661 1.00 0.00 O ATOM 684 NE2 GLN A 43 13.185 -3.392 8.239 1.00 0.00 N ATOM 0 H GLN A 43 12.643 -0.970 3.022 1.00 0.00 H new ATOM 0 HA GLN A 43 13.895 -3.493 3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.525 -2.079 5.748 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.185 -3.787 5.545 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.813 -4.009 5.417 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.798 -2.441 6.200 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.760 -2.503 7.974 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.993 -3.796 9.156 1.00 0.00 H new ATOM 693 N SER A 44 11.752 -4.582 2.744 1.00 0.00 N ATOM 694 CA SER A 44 10.589 -5.136 2.060 1.00 0.00 C ATOM 695 C SER A 44 9.429 -5.331 3.032 1.00 0.00 C ATOM 696 O SER A 44 9.553 -6.043 4.028 1.00 0.00 O ATOM 697 CB SER A 44 10.945 -6.469 1.400 1.00 0.00 C ATOM 698 OG SER A 44 9.779 -7.188 1.040 1.00 0.00 O ATOM 0 H SER A 44 12.508 -5.250 2.899 1.00 0.00 H new ATOM 0 HA SER A 44 10.281 -4.429 1.290 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.553 -6.288 0.513 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.548 -7.067 2.083 1.00 0.00 H new ATOM 0 HG SER A 44 10.034 -8.035 0.619 1.00 0.00 H new ATOM 704 N MET A 45 8.302 -4.692 2.735 1.00 0.00 N ATOM 705 CA MET A 45 7.120 -4.795 3.582 1.00 0.00 C ATOM 706 C MET A 45 5.849 -4.832 2.739 1.00 0.00 C ATOM 707 O MET A 45 5.750 -4.150 1.719 1.00 0.00 O ATOM 708 CB MET A 45 7.062 -3.621 4.561 1.00 0.00 C ATOM 709 CG MET A 45 7.413 -2.284 3.927 1.00 0.00 C ATOM 710 SD MET A 45 7.906 -1.048 5.143 1.00 0.00 S ATOM 711 CE MET A 45 9.326 -1.850 5.885 1.00 0.00 C ATOM 0 H MET A 45 8.183 -4.098 1.915 1.00 0.00 H new ATOM 0 HA MET A 45 7.189 -5.725 4.146 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.060 -3.561 4.985 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.747 -3.813 5.387 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.222 -2.427 3.211 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.554 -1.915 3.367 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.127 -1.123 6.017 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.046 -2.261 6.855 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.670 -2.655 5.235 1.00 0.00 H new ATOM 721 N ASP A 46 4.881 -5.632 3.171 1.00 0.00 N ATOM 722 CA ASP A 46 3.616 -5.757 2.456 1.00 0.00 C ATOM 723 C ASP A 46 2.871 -4.426 2.433 1.00 0.00 C ATOM 724 O ASP A 46 3.178 -3.517 3.206 1.00 0.00 O ATOM 725 CB ASP A 46 2.743 -6.833 3.103 1.00 0.00 C ATOM 726 CG ASP A 46 2.984 -8.208 2.511 1.00 0.00 C ATOM 727 OD1 ASP A 46 4.101 -8.740 2.681 1.00 0.00 O ATOM 728 OD2 ASP A 46 2.055 -8.752 1.878 1.00 0.00 O ATOM 0 H ASP A 46 4.948 -6.204 4.013 1.00 0.00 H new ATOM 0 HA ASP A 46 3.835 -6.048 1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.942 -6.862 4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.693 -6.567 2.981 1.00 0.00 H new ATOM 733 N LEU A 47 1.891 -4.318 1.542 1.00 0.00 N ATOM 734 CA LEU A 47 1.102 -3.097 1.418 1.00 0.00 C ATOM 735 C LEU A 47 -0.380 -3.381 1.642 1.00 0.00 C ATOM 736 O LEU A 47 -1.074 -3.859 0.744 1.00 0.00 O ATOM 737 CB LEU A 47 1.310 -2.470 0.038 1.00 0.00 C ATOM 738 CG LEU A 47 2.453 -1.461 -0.076 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.791 -2.139 0.182 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.445 -0.798 -1.445 1.00 0.00 C ATOM 0 H LEU A 47 1.624 -5.060 0.895 1.00 0.00 H new ATOM 0 HA LEU A 47 1.438 -2.397 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.486 -3.271 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.385 -1.975 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 47 2.307 -0.689 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.593 -1.406 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.795 -2.566 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.945 -2.931 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.265 -0.083 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.565 -1.557 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.498 -0.278 -1.592 1.00 0.00 H new ATOM 752 N HIS A 48 -0.859 -3.083 2.845 1.00 0.00 N ATOM 753 CA HIS A 48 -2.260 -3.304 3.187 1.00 0.00 C ATOM 754 C HIS A 48 -3.017 -1.981 3.258 1.00 0.00 C ATOM 755 O HIS A 48 -2.795 -1.175 4.162 1.00 0.00 O ATOM 756 CB HIS A 48 -2.371 -4.041 4.522 1.00 0.00 C ATOM 757 CG HIS A 48 -1.906 -5.463 4.461 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.789 -5.860 3.757 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.412 -6.585 5.024 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.629 -7.165 3.888 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.601 -7.629 4.652 1.00 0.00 N ATOM 0 H HIS A 48 -0.298 -2.688 3.600 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.707 -3.917 2.404 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.786 -3.508 5.272 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.409 -4.021 4.854 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.290 -6.648 5.649 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.162 -7.752 3.446 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.729 -8.604 4.922 1.00 0.00 H new ATOM 770 N TYR A 49 -3.909 -1.763 2.299 1.00 0.00 N ATOM 771 CA TYR A 49 -4.696 -0.537 2.251 1.00 0.00 C ATOM 772 C TYR A 49 -6.130 -0.792 2.707 1.00 0.00 C ATOM 773 O TYR A 49 -6.755 -1.777 2.312 1.00 0.00 O ATOM 774 CB TYR A 49 -4.695 0.040 0.834 1.00 0.00 C ATOM 775 CG TYR A 49 -5.869 -0.413 -0.005 1.00 0.00 C ATOM 776 CD1 TYR A 49 -5.823 -1.609 -0.711 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.023 0.356 -0.093 1.00 0.00 C ATOM 778 CE1 TYR A 49 -6.893 -2.026 -1.480 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.097 -0.054 -0.858 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.028 -1.245 -1.549 1.00 0.00 C ATOM 781 OH TYR A 49 -9.096 -1.656 -2.314 1.00 0.00 O ATOM 0 H TYR A 49 -4.105 -2.420 1.544 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.240 0.184 2.930 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.700 1.128 0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.770 -0.247 0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.936 -2.223 -0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.081 1.290 0.446 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.841 -2.958 -2.024 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.987 0.555 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.928 -1.317 -1.923 1.00 0.00 H new ATOM 791 N THR A 50 -6.647 0.105 3.541 1.00 0.00 N ATOM 792 CA THR A 50 -8.006 -0.021 4.053 1.00 0.00 C ATOM 793 C THR A 50 -8.943 0.971 3.373 1.00 0.00 C ATOM 794 O THR A 50 -8.580 2.124 3.143 1.00 0.00 O ATOM 795 CB THR A 50 -8.056 0.203 5.576 1.00 0.00 C ATOM 796 OG1 THR A 50 -7.823 1.584 5.876 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.020 -0.657 6.284 1.00 0.00 C ATOM 0 H THR A 50 -6.145 0.927 3.876 1.00 0.00 H new ATOM 0 HA THR A 50 -8.334 -1.037 3.833 1.00 0.00 H new ATOM 0 HB THR A 50 -9.046 -0.083 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.522 1.910 6.481 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.074 -0.482 7.358 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.218 -1.709 6.078 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.024 -0.398 5.924 1.00 0.00 H new ATOM 805 N ASN A 51 -10.150 0.515 3.055 1.00 0.00 N ATOM 806 CA ASN A 51 -11.140 1.364 2.402 1.00 0.00 C ATOM 807 C ASN A 51 -12.007 2.081 3.433 1.00 0.00 C ATOM 808 O ASN A 51 -12.011 3.309 3.509 1.00 0.00 O ATOM 809 CB ASN A 51 -12.021 0.531 1.469 1.00 0.00 C ATOM 810 CG ASN A 51 -13.281 1.265 1.054 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.400 2.475 1.250 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.229 0.535 0.478 1.00 0.00 N ATOM 0 H ASN A 51 -10.466 -0.437 3.239 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.609 2.114 1.816 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.451 0.262 0.580 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.293 -0.400 1.966 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.099 0.974 0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.087 -0.465 0.336 1.00 0.00 H new ATOM 819 N ASN A 52 -12.740 1.304 4.224 1.00 0.00 N ATOM 820 CA ASN A 52 -13.611 1.865 5.251 1.00 0.00 C ATOM 821 C ASN A 52 -13.422 1.140 6.580 1.00 0.00 C ATOM 822 O ASN A 52 -12.866 1.695 7.527 1.00 0.00 O ATOM 823 CB ASN A 52 -15.074 1.776 4.812 1.00 0.00 C ATOM 824 CG ASN A 52 -15.518 2.996 4.028 1.00 0.00 C ATOM 825 OD1 ASN A 52 -16.634 3.588 4.436 1.00 0.00 O flip ATOM 826 ND2 ASN A 52 -14.864 3.401 3.066 1.00 0.00 N flip ATOM 0 H ASN A 52 -12.748 0.285 4.174 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.343 2.913 5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.213 0.884 4.201 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.708 1.662 5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.012 2.915 2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.175 4.223 2.548 1.00 0.00 H new ATOM 833 N GLU A 53 -13.888 -0.104 6.641 1.00 0.00 N ATOM 834 CA GLU A 53 -13.771 -0.904 7.854 1.00 0.00 C ATOM 835 C GLU A 53 -13.179 -2.277 7.545 1.00 0.00 C ATOM 836 O GLU A 53 -13.457 -3.256 8.238 1.00 0.00 O ATOM 837 CB GLU A 53 -15.138 -1.065 8.520 1.00 0.00 C ATOM 838 CG GLU A 53 -15.808 0.256 8.861 1.00 0.00 C ATOM 839 CD GLU A 53 -16.746 0.146 10.047 1.00 0.00 C ATOM 840 OE1 GLU A 53 -16.515 -0.728 10.908 1.00 0.00 O ATOM 841 OE2 GLU A 53 -17.713 0.934 10.113 1.00 0.00 O ATOM 0 H GLU A 53 -14.350 -0.579 5.865 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.101 -0.383 8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.791 -1.634 7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.022 -1.650 9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.043 1.002 9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.365 0.611 7.994 1.00 0.00 H new ATOM 848 N LEU A 54 -12.363 -2.340 6.498 1.00 0.00 N ATOM 849 CA LEU A 54 -11.732 -3.592 6.096 1.00 0.00 C ATOM 850 C LEU A 54 -10.297 -3.356 5.637 1.00 0.00 C ATOM 851 O LEU A 54 -9.872 -2.215 5.456 1.00 0.00 O ATOM 852 CB LEU A 54 -12.535 -4.254 4.975 1.00 0.00 C ATOM 853 CG LEU A 54 -14.000 -4.559 5.289 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.720 -5.059 4.046 1.00 0.00 C ATOM 855 CD2 LEU A 54 -14.103 -5.580 6.413 1.00 0.00 C ATOM 0 H LEU A 54 -12.123 -1.540 5.913 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.713 -4.254 6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.499 -3.607 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.041 -5.187 4.703 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.481 -3.637 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.761 -5.271 4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.677 -4.296 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.239 -5.969 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.153 -5.785 6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.606 -6.503 6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.624 -5.185 7.309 1.00 0.00 H new ATOM 867 N VAL A 55 -9.554 -4.442 5.449 1.00 0.00 N ATOM 868 CA VAL A 55 -8.167 -4.353 5.007 1.00 0.00 C ATOM 869 C VAL A 55 -7.928 -5.213 3.771 1.00 0.00 C ATOM 870 O VAL A 55 -8.280 -6.392 3.745 1.00 0.00 O ATOM 871 CB VAL A 55 -7.195 -4.791 6.119 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.757 -4.509 5.713 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.535 -4.093 7.428 1.00 0.00 C ATOM 0 H VAL A 55 -9.889 -5.394 5.596 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.979 -3.308 4.761 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.301 -5.866 6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.085 -4.825 6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.522 -5.059 4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.632 -3.441 5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.839 -4.414 8.203 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.458 -3.014 7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.552 -4.351 7.724 1.00 0.00 H new ATOM 883 N ILE A 56 -7.327 -4.614 2.748 1.00 0.00 N ATOM 884 CA ILE A 56 -7.039 -5.325 1.509 1.00 0.00 C ATOM 885 C ILE A 56 -5.540 -5.361 1.231 1.00 0.00 C ATOM 886 O ILE A 56 -4.931 -4.363 0.843 1.00 0.00 O ATOM 887 CB ILE A 56 -7.757 -4.679 0.309 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.205 -4.345 0.673 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.708 -5.604 -0.898 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.363 -3.002 1.351 1.00 0.00 C ATOM 0 H ILE A 56 -7.030 -3.638 2.753 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.407 -6.343 1.637 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.244 -3.752 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.811 -4.359 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.595 -5.123 1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.219 -5.134 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.669 -5.796 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.200 -6.546 -0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.415 -2.832 1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.784 -2.990 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.004 -2.215 0.688 1.00 0.00 H new ATOM 902 N PRO A 57 -4.929 -6.537 1.433 1.00 0.00 N ATOM 903 CA PRO A 57 -3.493 -6.733 1.208 1.00 0.00 C ATOM 904 C PRO A 57 -3.127 -6.684 -0.271 1.00 0.00 C ATOM 905 O PRO A 57 -3.328 -7.655 -1.003 1.00 0.00 O ATOM 906 CB PRO A 57 -3.232 -8.129 1.779 1.00 0.00 C ATOM 907 CG PRO A 57 -4.545 -8.827 1.689 1.00 0.00 C ATOM 908 CD PRO A 57 -5.592 -7.768 1.896 1.00 0.00 C ATOM 0 HA PRO A 57 -2.896 -5.949 1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.465 -8.653 1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.882 -8.076 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.665 -9.310 0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.625 -9.608 2.446 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.495 -7.978 1.323 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.889 -7.695 2.942 1.00 0.00 H new ATOM 916 N LEU A 58 -2.587 -5.551 -0.705 1.00 0.00 N ATOM 917 CA LEU A 58 -2.191 -5.376 -2.098 1.00 0.00 C ATOM 918 C LEU A 58 -1.136 -6.403 -2.497 1.00 0.00 C ATOM 919 O LEU A 58 0.049 -6.238 -2.205 1.00 0.00 O ATOM 920 CB LEU A 58 -1.654 -3.962 -2.323 1.00 0.00 C ATOM 921 CG LEU A 58 -2.701 -2.851 -2.407 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.124 -1.535 -1.909 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.212 -2.706 -3.833 1.00 0.00 C ATOM 0 H LEU A 58 -2.413 -4.739 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.072 -5.526 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.965 -3.724 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.074 -3.958 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.541 -3.121 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.884 -0.756 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.808 -1.645 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.266 -1.259 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.956 -1.911 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.381 -2.459 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.665 -3.644 -4.154 1.00 0.00 H new ATOM 935 N THR A 59 -1.574 -7.464 -3.169 1.00 0.00 N ATOM 936 CA THR A 59 -0.668 -8.517 -3.610 1.00 0.00 C ATOM 937 C THR A 59 -0.476 -8.480 -5.121 1.00 0.00 C ATOM 938 O THR A 59 0.645 -8.595 -5.618 1.00 0.00 O ATOM 939 CB THR A 59 -1.186 -9.909 -3.203 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.495 -10.122 -3.744 1.00 0.00 O ATOM 941 CG2 THR A 59 -1.228 -10.051 -1.689 1.00 0.00 C ATOM 0 H THR A 59 -2.551 -7.616 -3.419 1.00 0.00 H new ATOM 0 HA THR A 59 0.289 -8.336 -3.121 1.00 0.00 H new ATOM 0 HB THR A 59 -0.502 -10.657 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.817 -11.010 -3.482 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.597 -11.042 -1.427 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.225 -9.918 -1.283 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.892 -9.294 -1.271 1.00 0.00 H new ATOM 949 N THR A 60 -1.576 -8.317 -5.850 1.00 0.00 N ATOM 950 CA THR A 60 -1.528 -8.265 -7.305 1.00 0.00 C ATOM 951 C THR A 60 -2.103 -6.954 -7.828 1.00 0.00 C ATOM 952 O THR A 60 -2.787 -6.233 -7.102 1.00 0.00 O ATOM 953 CB THR A 60 -2.302 -9.439 -7.935 1.00 0.00 C ATOM 954 OG1 THR A 60 -3.684 -9.366 -7.570 1.00 0.00 O ATOM 955 CG2 THR A 60 -1.723 -10.772 -7.486 1.00 0.00 C ATOM 0 H THR A 60 -2.511 -8.219 -5.455 1.00 0.00 H new ATOM 0 HA THR A 60 -0.478 -8.337 -7.589 1.00 0.00 H new ATOM 0 HB THR A 60 -2.209 -9.367 -9.019 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.169 -10.115 -7.975 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.286 -11.586 -7.944 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.679 -10.836 -7.791 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.789 -10.850 -6.401 1.00 0.00 H new ATOM 963 N GLN A 61 -1.820 -6.651 -9.091 1.00 0.00 N ATOM 964 CA GLN A 61 -2.310 -5.425 -9.710 1.00 0.00 C ATOM 965 C GLN A 61 -3.824 -5.312 -9.570 1.00 0.00 C ATOM 966 O GLN A 61 -4.349 -4.251 -9.232 1.00 0.00 O ATOM 967 CB GLN A 61 -1.917 -5.382 -11.188 1.00 0.00 C ATOM 968 CG GLN A 61 -0.581 -4.704 -11.443 1.00 0.00 C ATOM 969 CD GLN A 61 -0.723 -3.218 -11.711 1.00 0.00 C ATOM 970 OE1 GLN A 61 -1.612 -2.565 -10.971 1.00 0.00 O flip ATOM 971 NE2 GLN A 61 -0.041 -2.663 -12.573 1.00 0.00 N flip ATOM 0 H GLN A 61 -1.254 -7.237 -9.705 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.852 -4.580 -9.196 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.878 -6.400 -11.575 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.693 -4.859 -11.747 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.069 -4.853 -10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.094 -5.178 -12.295 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.630 -3.204 -13.118 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.147 -1.663 -12.742 1.00 0.00 H new ATOM 980 N ASP A 62 -4.521 -6.412 -9.833 1.00 0.00 N ATOM 981 CA ASP A 62 -5.976 -6.437 -9.736 1.00 0.00 C ATOM 982 C ASP A 62 -6.451 -5.685 -8.496 1.00 0.00 C ATOM 983 O ASP A 62 -7.369 -4.868 -8.568 1.00 0.00 O ATOM 984 CB ASP A 62 -6.481 -7.880 -9.697 1.00 0.00 C ATOM 985 CG ASP A 62 -7.939 -7.994 -10.095 1.00 0.00 C ATOM 986 OD1 ASP A 62 -8.258 -7.713 -11.270 1.00 0.00 O ATOM 987 OD2 ASP A 62 -8.762 -8.365 -9.233 1.00 0.00 O ATOM 0 H ASP A 62 -4.102 -7.298 -10.115 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.383 -5.942 -10.618 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.876 -8.492 -10.366 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.349 -8.281 -8.692 1.00 0.00 H new ATOM 992 N ASP A 63 -5.821 -5.968 -7.362 1.00 0.00 N ATOM 993 CA ASP A 63 -6.179 -5.319 -6.106 1.00 0.00 C ATOM 994 C ASP A 63 -5.981 -3.810 -6.199 1.00 0.00 C ATOM 995 O ASP A 63 -6.897 -3.034 -5.924 1.00 0.00 O ATOM 996 CB ASP A 63 -5.343 -5.886 -4.957 1.00 0.00 C ATOM 997 CG ASP A 63 -5.746 -7.302 -4.592 1.00 0.00 C ATOM 998 OD1 ASP A 63 -6.795 -7.470 -3.935 1.00 0.00 O ATOM 999 OD2 ASP A 63 -5.013 -8.241 -4.964 1.00 0.00 O ATOM 0 H ASP A 63 -5.060 -6.643 -7.286 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.233 -5.518 -5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.290 -5.872 -5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.450 -5.244 -4.083 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.778 -3.399 -6.586 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.458 -1.982 -6.714 1.00 0.00 C ATOM 1006 C LEU A 64 -5.470 -1.274 -7.609 1.00 0.00 C ATOM 1007 O LEU A 64 -6.086 -0.286 -7.207 1.00 0.00 O ATOM 1008 CB LEU A 64 -3.048 -1.806 -7.282 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.677 -0.392 -7.731 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.811 0.587 -6.576 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.263 -0.366 -8.294 1.00 0.00 C ATOM 0 H LEU A 64 -4.008 -4.027 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.502 -1.534 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.331 -2.125 -6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.934 -2.477 -8.133 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.366 -0.088 -8.519 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.543 1.588 -6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.841 0.589 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.146 0.288 -5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.015 0.648 -8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.560 -0.690 -7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.200 -1.037 -9.150 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.639 -1.785 -8.823 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.579 -1.204 -9.775 1.00 0.00 C ATOM 1025 C ASP A 65 -7.945 -0.996 -9.129 1.00 0.00 C ATOM 1026 O ASP A 65 -8.628 -0.007 -9.401 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.714 -2.103 -11.005 1.00 0.00 C ATOM 1028 CG ASP A 65 -7.025 -1.318 -12.264 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -6.071 -0.870 -12.934 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -8.222 -1.152 -12.580 1.00 0.00 O ATOM 0 H ASP A 65 -5.137 -2.601 -9.172 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.191 -0.234 -10.086 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.788 -2.661 -11.147 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.503 -2.834 -10.832 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.340 -1.934 -8.275 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.625 -1.854 -7.590 1.00 0.00 C ATOM 1037 C LYS A 66 -9.543 -0.918 -6.389 1.00 0.00 C ATOM 1038 O LYS A 66 -10.565 -0.462 -5.875 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.072 -3.245 -7.137 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.908 -3.982 -8.169 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.617 -5.180 -7.560 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.980 -4.797 -7.004 1.00 0.00 C ATOM 1043 NZ LYS A 66 -12.899 -4.377 -5.578 1.00 0.00 N ATOM 0 H LYS A 66 -7.788 -2.759 -8.040 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.358 -1.454 -8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.191 -3.842 -6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.647 -3.150 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.644 -3.301 -8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.268 -4.314 -8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.736 -5.957 -8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.003 -5.601 -6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.400 -3.985 -7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.660 -5.644 -7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.647 -4.852 -5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.970 -4.639 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.024 -3.347 -5.512 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.323 -0.635 -5.946 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.109 0.249 -4.807 1.00 0.00 C ATOM 1059 C ALA A 67 -7.926 1.693 -5.260 1.00 0.00 C ATOM 1060 O ALA A 67 -8.144 2.629 -4.490 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.902 -0.210 -4.002 1.00 0.00 C ATOM 0 H ALA A 67 -7.467 -1.005 -6.359 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.994 0.204 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.754 0.459 -3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.071 -1.224 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.015 -0.195 -4.635 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.525 1.869 -6.515 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.313 3.200 -7.071 1.00 0.00 C ATOM 1069 C VAL A 68 -8.599 3.754 -7.676 1.00 0.00 C ATOM 1070 O VAL A 68 -8.839 4.960 -7.649 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.215 3.189 -8.150 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -6.027 4.581 -8.735 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.908 2.663 -7.575 1.00 0.00 C ATOM 0 H VAL A 68 -7.340 1.106 -7.166 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.997 3.840 -6.248 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.527 2.522 -8.954 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.247 4.554 -9.496 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.962 4.916 -9.185 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.738 5.272 -7.943 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.143 2.662 -8.352 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.589 3.303 -6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.054 1.647 -7.209 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.422 2.863 -8.219 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.684 3.263 -8.831 1.00 0.00 C ATOM 1085 C GLU A 69 -11.688 3.702 -7.769 1.00 0.00 C ATOM 1086 O GLU A 69 -12.456 4.643 -7.976 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.266 2.112 -9.654 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.799 0.968 -8.807 1.00 0.00 C ATOM 1089 CD GLU A 69 -12.620 -0.020 -9.613 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -12.016 -0.887 -10.280 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -13.864 0.073 -9.578 1.00 0.00 O ATOM 0 H GLU A 69 -9.238 1.860 -8.248 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.486 4.107 -9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.071 2.495 -10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.496 1.729 -10.324 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.963 0.446 -8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.412 1.372 -8.001 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.677 3.015 -6.633 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.587 3.332 -5.537 1.00 0.00 C ATOM 1100 C LEU A 70 -12.238 4.680 -4.913 1.00 0.00 C ATOM 1101 O LEU A 70 -13.123 5.458 -4.555 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.536 2.235 -4.472 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.492 2.418 -3.370 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -11.970 3.434 -2.345 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.184 1.086 -2.701 1.00 0.00 C ATOM 0 H LEU A 70 -11.048 2.234 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.598 3.390 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.519 2.163 -4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.348 1.283 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.575 2.795 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.214 3.551 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.139 4.393 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.901 3.087 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.439 1.235 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.095 0.680 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.797 0.387 -3.443 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.944 4.950 -4.788 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.477 6.205 -4.209 1.00 0.00 C ATOM 1119 C LEU A 71 -11.037 7.400 -4.975 1.00 0.00 C ATOM 1120 O LEU A 71 -11.603 8.319 -4.384 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.948 6.254 -4.213 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.321 7.649 -4.243 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.667 8.417 -2.977 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.812 7.551 -4.415 1.00 0.00 C ATOM 0 H LEU A 71 -10.199 4.317 -5.080 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.833 6.256 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.585 5.734 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.589 5.697 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.729 8.192 -5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.212 9.407 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.749 8.518 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.288 7.878 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.382 8.552 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.387 6.990 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.585 7.041 -5.351 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.877 7.378 -6.294 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.369 8.458 -7.142 1.00 0.00 C ATOM 1138 C ASP A 72 -12.869 8.657 -6.951 1.00 0.00 C ATOM 1139 O ASP A 72 -13.313 9.715 -6.504 1.00 0.00 O ATOM 1140 CB ASP A 72 -11.064 8.160 -8.611 1.00 0.00 C ATOM 1141 CG ASP A 72 -11.082 9.409 -9.470 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -10.083 10.159 -9.447 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -12.094 9.637 -10.165 1.00 0.00 O ATOM 0 H ASP A 72 -10.411 6.624 -6.799 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.859 9.377 -6.852 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.086 7.684 -8.687 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.795 7.448 -8.994 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.646 7.634 -7.292 1.00 0.00 N ATOM 1149 CA ARG A 73 -15.096 7.698 -7.161 1.00 0.00 C ATOM 1150 C ARG A 73 -15.496 8.104 -5.746 1.00 0.00 C ATOM 1151 O ARG A 73 -16.487 8.808 -5.548 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.721 6.346 -7.511 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.495 5.278 -6.453 1.00 0.00 C ATOM 1154 CD ARG A 73 -16.074 3.939 -6.881 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.519 3.877 -6.679 1.00 0.00 N ATOM 1156 CZ ARG A 73 -18.404 4.316 -7.566 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -17.994 4.846 -8.710 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.703 4.225 -7.310 1.00 0.00 N ATOM 0 H ARG A 73 -13.295 6.750 -7.661 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.466 8.452 -7.855 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.793 6.478 -7.659 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.309 5.999 -8.459 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.427 5.170 -6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.953 5.591 -5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.847 3.766 -7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.595 3.140 -6.316 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.867 3.474 -5.809 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.996 4.917 -8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.676 5.182 -9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -20.022 3.818 -6.431 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.382 4.563 -7.992 1.00 0.00 H new ATOM 1172 N SER A 74 -14.719 7.656 -4.765 1.00 0.00 N ATOM 1173 CA SER A 74 -14.995 7.970 -3.367 1.00 0.00 C ATOM 1174 C SER A 74 -14.631 9.417 -3.053 1.00 0.00 C ATOM 1175 O SER A 74 -13.468 9.736 -2.802 1.00 0.00 O ATOM 1176 CB SER A 74 -14.218 7.025 -2.448 1.00 0.00 C ATOM 1177 OG SER A 74 -14.701 7.096 -1.118 1.00 0.00 O ATOM 0 H SER A 74 -13.894 7.075 -4.912 1.00 0.00 H new ATOM 0 HA SER A 74 -16.063 7.837 -3.194 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.305 6.002 -2.816 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.159 7.282 -2.468 1.00 0.00 H new ATOM 0 HG SER A 74 -15.644 7.362 -1.126 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.633 10.290 -3.069 1.00 0.00 N ATOM 1184 CA ILE A 75 -15.420 11.703 -2.786 1.00 0.00 C ATOM 1185 C ILE A 75 -14.879 11.905 -1.374 1.00 0.00 C ATOM 1186 O ILE A 75 -13.782 12.434 -1.187 1.00 0.00 O ATOM 1187 CB ILE A 75 -16.720 12.512 -2.945 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -17.344 12.250 -4.317 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -16.447 13.997 -2.757 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -16.534 12.808 -5.466 1.00 0.00 C ATOM 0 H ILE A 75 -16.601 10.043 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.688 12.062 -3.509 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.425 12.192 -2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.462 11.175 -4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -18.343 12.686 -4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -17.376 14.555 -2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.042 14.169 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.727 14.332 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -17.036 12.585 -6.407 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -16.438 13.888 -5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -15.543 12.354 -5.467 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.654 11.478 -0.382 1.00 0.00 N ATOM 1203 CA HIS A 76 -15.252 11.610 1.013 1.00 0.00 C ATOM 1204 C HIS A 76 -13.790 11.214 1.197 1.00 0.00 C ATOM 1205 O HIS A 76 -13.042 11.881 1.911 1.00 0.00 O ATOM 1206 CB HIS A 76 -16.143 10.745 1.906 1.00 0.00 C ATOM 1207 CG HIS A 76 -16.355 9.360 1.378 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -15.677 8.259 1.857 1.00 0.00 N ATOM 1209 CD2 HIS A 76 -17.179 8.899 0.408 1.00 0.00 C ATOM 1210 CE1 HIS A 76 -16.072 7.182 1.203 1.00 0.00 C ATOM 1211 NE2 HIS A 76 -16.983 7.543 0.318 1.00 0.00 N ATOM 0 H HIS A 76 -16.564 11.038 -0.519 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.366 12.655 1.301 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.697 10.682 2.899 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.111 11.233 2.022 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.863 9.488 -0.185 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.711 6.177 1.364 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.463 6.916 -0.328 1.00 0.00 H new ATOM 1220 N MET A 77 -13.391 10.125 0.549 1.00 0.00 N ATOM 1221 CA MET A 77 -12.018 9.642 0.641 1.00 0.00 C ATOM 1222 C MET A 77 -11.033 10.709 0.175 1.00 0.00 C ATOM 1223 O MET A 77 -11.204 11.305 -0.889 1.00 0.00 O ATOM 1224 CB MET A 77 -11.845 8.372 -0.195 1.00 0.00 C ATOM 1225 CG MET A 77 -10.462 7.752 -0.079 1.00 0.00 C ATOM 1226 SD MET A 77 -10.350 6.551 1.262 1.00 0.00 S ATOM 1227 CE MET A 77 -10.133 5.032 0.338 1.00 0.00 C ATOM 0 H MET A 77 -13.998 9.560 -0.045 1.00 0.00 H new ATOM 0 HA MET A 77 -11.810 9.413 1.686 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.590 7.639 0.114 1.00 0.00 H new ATOM 0 HB3 MET A 77 -12.043 8.606 -1.241 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.206 7.265 -1.020 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.727 8.540 0.082 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.003 4.391 0.481 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.023 5.263 -0.722 1.00 0.00 H new ATOM 0 HE3 MET A 77 -9.240 4.516 0.691 1.00 0.00 H new ATOM 1237 N LYS A 78 -10.002 10.947 0.978 1.00 0.00 N ATOM 1238 CA LYS A 78 -8.988 11.942 0.648 1.00 0.00 C ATOM 1239 C LYS A 78 -7.796 11.294 -0.049 1.00 0.00 C ATOM 1240 O LYS A 78 -7.259 11.838 -1.014 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.522 12.664 1.915 1.00 0.00 C ATOM 1242 CG LYS A 78 -9.438 13.798 2.341 1.00 0.00 C ATOM 1243 CD LYS A 78 -9.061 15.104 1.662 1.00 0.00 C ATOM 1244 CE LYS A 78 -9.809 16.283 2.267 1.00 0.00 C ATOM 1245 NZ LYS A 78 -9.827 17.457 1.351 1.00 0.00 N ATOM 0 H LYS A 78 -9.846 10.464 1.863 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.434 12.667 -0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.449 11.942 2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.520 13.060 1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.470 13.545 2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.387 13.921 3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.987 15.267 1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.283 15.039 0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.832 15.985 2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.341 16.565 3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.346 18.239 1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.851 17.757 1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.297 17.195 0.461 1.00 0.00 H new ATOM 1259 N SER A 79 -7.388 10.130 0.446 1.00 0.00 N ATOM 1260 CA SER A 79 -6.258 9.409 -0.129 1.00 0.00 C ATOM 1261 C SER A 79 -6.383 7.910 0.126 1.00 0.00 C ATOM 1262 O SER A 79 -7.337 7.454 0.757 1.00 0.00 O ATOM 1263 CB SER A 79 -4.944 9.930 0.456 1.00 0.00 C ATOM 1264 OG SER A 79 -5.004 9.991 1.871 1.00 0.00 O ATOM 0 H SER A 79 -7.823 9.666 1.244 1.00 0.00 H new ATOM 0 HA SER A 79 -6.261 9.577 -1.206 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.124 9.280 0.151 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.731 10.921 0.055 1.00 0.00 H new ATOM 0 HG SER A 79 -4.220 10.471 2.211 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.414 7.150 -0.369 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.413 5.701 -0.196 1.00 0.00 C ATOM 1272 C LEU A 80 -4.443 5.284 0.904 1.00 0.00 C ATOM 1273 O LEU A 80 -3.262 5.046 0.648 1.00 0.00 O ATOM 1274 CB LEU A 80 -5.041 5.011 -1.509 1.00 0.00 C ATOM 1275 CG LEU A 80 -5.008 3.482 -1.478 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.406 2.914 -1.673 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -4.060 2.948 -2.542 1.00 0.00 C ATOM 0 H LEU A 80 -4.618 7.512 -0.894 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.417 5.394 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.751 5.324 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.060 5.369 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.642 3.165 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.363 1.825 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.058 3.270 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.800 3.240 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.049 1.859 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.396 3.275 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.055 3.327 -2.357 1.00 0.00 H new ATOM 1289 N LYS A 81 -4.948 5.195 2.130 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.128 4.804 3.270 1.00 0.00 C ATOM 1291 C LYS A 81 -3.414 3.483 2.998 1.00 0.00 C ATOM 1292 O LYS A 81 -3.912 2.640 2.251 1.00 0.00 O ATOM 1293 CB LYS A 81 -4.991 4.680 4.527 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.196 4.740 5.820 1.00 0.00 C ATOM 1295 CD LYS A 81 -4.791 3.833 6.883 1.00 0.00 C ATOM 1296 CE LYS A 81 -5.804 4.572 7.743 1.00 0.00 C ATOM 1297 NZ LYS A 81 -6.870 3.664 8.250 1.00 0.00 N ATOM 0 H LYS A 81 -5.923 5.389 2.359 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.377 5.578 3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.732 5.479 4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.538 3.738 4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.164 4.448 5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.174 5.766 6.187 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.271 2.979 6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.994 3.439 7.514 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.293 5.038 8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.257 5.375 7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.693 4.226 8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.154 3.007 7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.509 3.124 9.062 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.247 3.310 3.610 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.467 2.091 3.435 1.00 0.00 C ATOM 1313 C ILE A 82 -0.761 1.701 4.729 1.00 0.00 C ATOM 1314 O ILE A 82 -0.161 2.541 5.400 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.419 2.249 2.319 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.078 2.768 1.039 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.282 0.923 2.059 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.005 1.767 0.387 1.00 0.00 C ATOM 0 H ILE A 82 -1.821 3.998 4.231 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.168 1.305 3.155 1.00 0.00 H new ATOM 0 HB ILE A 82 0.326 2.976 2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.639 3.673 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.301 3.048 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.020 1.051 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.780 0.590 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.452 0.177 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.436 2.203 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.445 0.870 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.804 1.505 1.081 1.00 0.00 H new ATOM 1330 N LEU A 83 -0.835 0.420 5.073 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.201 -0.084 6.287 1.00 0.00 C ATOM 1332 C LEU A 83 0.884 -1.103 5.951 1.00 0.00 C ATOM 1333 O LEU A 83 0.590 -2.243 5.591 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.245 -0.719 7.206 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.322 0.222 7.749 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.720 1.206 8.740 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.008 0.961 6.609 1.00 0.00 C ATOM 0 H LEU A 83 -1.327 -0.289 4.529 1.00 0.00 H new ATOM 0 HA LEU A 83 0.262 0.758 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.736 -1.526 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.728 -1.173 8.051 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.070 -0.375 8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.501 1.867 9.116 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.276 0.659 9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.951 1.798 8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.771 1.626 7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.271 1.546 6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.474 0.241 5.937 1.00 0.00 H new ATOM 1349 N LEU A 84 2.139 -0.685 6.075 1.00 0.00 N ATOM 1350 CA LEU A 84 3.269 -1.561 5.787 1.00 0.00 C ATOM 1351 C LEU A 84 3.464 -2.582 6.903 1.00 0.00 C ATOM 1352 O LEU A 84 3.455 -2.236 8.084 1.00 0.00 O ATOM 1353 CB LEU A 84 4.545 -0.738 5.605 1.00 0.00 C ATOM 1354 CG LEU A 84 4.459 0.424 4.614 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.447 1.518 4.987 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.711 -0.065 3.195 1.00 0.00 C ATOM 0 H LEU A 84 2.400 0.255 6.373 1.00 0.00 H new ATOM 0 HA LEU A 84 3.055 -2.097 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.838 -0.340 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.342 -1.407 5.281 1.00 0.00 H new ATOM 0 HG LEU A 84 3.453 0.841 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.371 2.336 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.219 1.888 5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.459 1.115 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.646 0.775 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.705 -0.509 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.963 -0.812 2.929 1.00 0.00 H new ATOM 1368 N VAL A 85 3.643 -3.843 6.521 1.00 0.00 N ATOM 1369 CA VAL A 85 3.844 -4.914 7.489 1.00 0.00 C ATOM 1370 C VAL A 85 5.088 -5.730 7.155 1.00 0.00 C ATOM 1371 O VAL A 85 5.157 -6.377 6.110 1.00 0.00 O ATOM 1372 CB VAL A 85 2.626 -5.856 7.545 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.865 -6.979 8.542 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.368 -5.078 7.897 1.00 0.00 C ATOM 0 H VAL A 85 3.653 -4.147 5.548 1.00 0.00 H new ATOM 0 HA VAL A 85 3.973 -4.441 8.462 1.00 0.00 H new ATOM 0 HB VAL A 85 2.487 -6.301 6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.994 -7.634 8.568 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.742 -7.552 8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.031 -6.557 9.533 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.517 -5.759 7.932 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.494 -4.604 8.870 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.190 -4.313 7.141 1.00 0.00 H new ATOM 1384 N ILE A 86 6.069 -5.695 8.051 1.00 0.00 N ATOM 1385 CA ILE A 86 7.311 -6.432 7.852 1.00 0.00 C ATOM 1386 C ILE A 86 7.048 -7.788 7.206 1.00 0.00 C ATOM 1387 O ILE A 86 6.080 -8.470 7.543 1.00 0.00 O ATOM 1388 CB ILE A 86 8.058 -6.645 9.182 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.368 -5.299 9.840 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.338 -7.435 8.950 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.133 -4.351 8.944 1.00 0.00 C ATOM 0 H ILE A 86 6.028 -5.164 8.921 1.00 0.00 H new ATOM 0 HA ILE A 86 7.932 -5.831 7.188 1.00 0.00 H new ATOM 0 HB ILE A 86 7.418 -7.217 9.854 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.433 -4.827 10.141 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.944 -5.472 10.749 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.855 -7.577 9.899 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.093 -8.407 8.521 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.984 -6.888 8.264 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.318 -3.417 9.475 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.084 -4.803 8.664 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.549 -4.148 8.046 1.00 0.00 H new