USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 862 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 71 SER OG : rot -91:sc= 0.888 USER MOD Set 1.2: A 74 SER OG : rot 67:sc= -0.762 USER MOD Single : A 2 LYS NZ :NH3+ 165:sc= -0.0478 (180deg=-0.294) USER MOD Single : A 14 THR OG1 : rot -25:sc= 0.0705 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0834 USER MOD Single : A 18 SER OG : rot 136:sc= 0.613 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.0222 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 17:sc= 0.546! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= 0.38 (180deg=-0.421) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.079 X(o=-0.079,f=-0.0064) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -1.41 F(o=-1.9!,f=-1.4) USER MOD Single : A 80 THR OG1 : rot -121:sc= -1.03 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 148:sc= -1.32 (180deg=-3.05!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -130:sc= -4.77! USER MOD Single : A 114 LYS NZ :NH3+ 160:sc= 0.0605 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.677 K(o=-0.68,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 1.280 1.935 13.197 1.00 0.00 N ATOM 21 CA LYS A 2 0.602 0.712 12.781 1.00 0.00 C ATOM 22 C LYS A 2 -0.495 1.015 11.766 1.00 0.00 C ATOM 23 O LYS A 2 -0.597 2.129 11.268 1.00 0.00 O ATOM 24 CB LYS A 2 0.012 -0.003 13.995 1.00 0.00 C ATOM 25 CG LYS A 2 0.992 -0.147 15.146 1.00 0.00 C ATOM 26 CD LYS A 2 2.242 -0.899 14.722 1.00 0.00 C ATOM 27 CE LYS A 2 3.201 -1.086 15.886 1.00 0.00 C ATOM 28 NZ LYS A 2 2.588 -1.875 16.990 1.00 0.00 N ATOM 0 HA LYS A 2 1.336 0.061 12.307 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.864 0.546 14.340 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.330 -0.993 13.693 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.268 0.840 15.516 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.512 -0.673 15.971 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.963 -1.873 14.319 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.742 -0.354 13.921 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.102 -1.590 15.537 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.508 -0.111 16.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.332 -2.197 17.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.909 -1.280 17.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.094 -2.700 16.594 1.00 0.00 H new ATOM 42 N ARG A 3 -1.312 0.013 11.468 1.00 0.00 N ATOM 43 CA ARG A 3 -2.408 0.159 10.515 1.00 0.00 C ATOM 44 C ARG A 3 -1.881 0.442 9.110 1.00 0.00 C ATOM 45 O ARG A 3 -1.377 1.527 8.834 1.00 0.00 O ATOM 46 CB ARG A 3 -3.351 1.281 10.956 1.00 0.00 C ATOM 47 CG ARG A 3 -4.081 0.983 12.255 1.00 0.00 C ATOM 48 CD ARG A 3 -3.339 1.550 13.454 1.00 0.00 C ATOM 49 NE ARG A 3 -4.255 2.096 14.454 1.00 0.00 N ATOM 50 CZ ARG A 3 -3.934 2.286 15.732 1.00 0.00 C ATOM 51 NH1 ARG A 3 -2.719 1.982 16.171 1.00 0.00 N ATOM 52 NH2 ARG A 3 -4.829 2.785 16.573 1.00 0.00 N ATOM 0 H ARG A 3 -1.236 -0.919 11.876 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.959 -0.781 10.491 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.779 2.201 11.073 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.084 1.459 10.169 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.085 1.405 12.214 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.193 -0.095 12.372 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.731 0.767 13.908 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.656 2.332 13.122 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.197 2.347 14.154 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.025 1.601 15.528 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.479 2.130 17.151 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.764 3.023 16.241 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.583 2.931 17.552 1.00 0.00 H new ATOM 66 N VAL A 4 -2.003 -0.543 8.225 1.00 0.00 N ATOM 67 CA VAL A 4 -1.541 -0.397 6.849 1.00 0.00 C ATOM 68 C VAL A 4 -2.678 -0.654 5.862 1.00 0.00 C ATOM 69 O VAL A 4 -3.677 -1.283 6.205 1.00 0.00 O ATOM 70 CB VAL A 4 -0.376 -1.360 6.542 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.246 -1.039 5.192 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.673 -1.300 7.643 1.00 0.00 C ATOM 0 H VAL A 4 -2.418 -1.451 8.436 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.190 0.629 6.736 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.774 -2.374 6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.066 -1.730 4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.508 -1.139 4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.627 -0.018 5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.487 -1.986 7.408 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.064 -0.285 7.718 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.220 -1.585 8.593 1.00 0.00 H new ATOM 82 N LEU A 5 -2.523 -0.162 4.637 1.00 0.00 N ATOM 83 CA LEU A 5 -3.540 -0.341 3.607 1.00 0.00 C ATOM 84 C LEU A 5 -3.006 -1.191 2.459 1.00 0.00 C ATOM 85 O LEU A 5 -1.884 -0.987 1.994 1.00 0.00 O ATOM 86 CB LEU A 5 -4.007 1.014 3.072 1.00 0.00 C ATOM 87 CG LEU A 5 -5.098 0.942 2.004 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.405 0.464 2.613 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.283 2.295 1.334 1.00 0.00 C ATOM 0 H LEU A 5 -1.703 0.364 4.333 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.387 -0.856 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.375 1.611 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.147 1.541 2.658 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.789 0.225 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.172 0.418 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.265 -0.527 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.718 1.158 3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.064 2.222 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.570 3.035 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.348 2.599 0.863 1.00 0.00 H new ATOM 101 N VAL A 6 -3.813 -2.145 2.007 1.00 0.00 N ATOM 102 CA VAL A 6 -3.411 -3.026 0.914 1.00 0.00 C ATOM 103 C VAL A 6 -4.321 -2.869 -0.301 1.00 0.00 C ATOM 104 O VAL A 6 -5.316 -3.580 -0.441 1.00 0.00 O ATOM 105 CB VAL A 6 -3.416 -4.503 1.348 1.00 0.00 C ATOM 106 CG1 VAL A 6 -2.771 -5.370 0.278 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.707 -4.673 2.683 1.00 0.00 C ATOM 0 H VAL A 6 -4.745 -2.328 2.378 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.397 -2.732 0.642 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.450 -4.824 1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.782 -6.412 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.327 -5.272 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.741 -5.049 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.722 -5.724 2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.674 -4.336 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.216 -4.081 3.443 1.00 0.00 H new ATOM 117 N VAL A 7 -3.966 -1.944 -1.186 1.00 0.00 N ATOM 118 CA VAL A 7 -4.746 -1.707 -2.397 1.00 0.00 C ATOM 119 C VAL A 7 -4.387 -2.731 -3.469 1.00 0.00 C ATOM 120 O VAL A 7 -3.304 -2.678 -4.049 1.00 0.00 O ATOM 121 CB VAL A 7 -4.510 -0.285 -2.950 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.376 -0.027 -4.175 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.779 0.756 -1.873 1.00 0.00 C ATOM 0 H VAL A 7 -3.145 -1.347 -1.089 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.799 -1.807 -2.133 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.466 -0.207 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.191 0.981 -4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.131 -0.750 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.427 -0.127 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.608 1.753 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.813 0.674 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.109 0.588 -1.030 1.00 0.00 H new ATOM 133 N ASP A 8 -5.296 -3.669 -3.722 1.00 0.00 N ATOM 134 CA ASP A 8 -5.056 -4.707 -4.717 1.00 0.00 C ATOM 135 C ASP A 8 -6.334 -5.052 -5.478 1.00 0.00 C ATOM 136 O ASP A 8 -7.418 -5.115 -4.902 1.00 0.00 O ATOM 137 CB ASP A 8 -4.493 -5.961 -4.045 1.00 0.00 C ATOM 138 CG ASP A 8 -4.189 -7.067 -5.038 1.00 0.00 C ATOM 139 OD1 ASP A 8 -3.980 -6.754 -6.228 1.00 0.00 O ATOM 140 OD2 ASP A 8 -4.162 -8.245 -4.625 1.00 0.00 O ATOM 0 H ASP A 8 -6.200 -3.731 -3.254 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.328 -4.324 -5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.582 -5.702 -3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.208 -6.326 -3.308 1.00 0.00 H new ATOM 145 N ASP A 9 -6.189 -5.278 -6.780 1.00 0.00 N ATOM 146 CA ASP A 9 -7.320 -5.620 -7.635 1.00 0.00 C ATOM 147 C ASP A 9 -7.932 -6.958 -7.228 1.00 0.00 C ATOM 148 O ASP A 9 -9.037 -7.007 -6.691 1.00 0.00 O ATOM 149 CB ASP A 9 -6.879 -5.665 -9.099 1.00 0.00 C ATOM 150 CG ASP A 9 -8.032 -5.938 -10.045 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.178 -5.582 -9.701 1.00 0.00 O ATOM 152 OD2 ASP A 9 -7.788 -6.510 -11.128 1.00 0.00 O ATOM 0 H ASP A 9 -5.294 -5.230 -7.268 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.081 -4.849 -7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.413 -4.716 -9.364 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.121 -6.438 -9.223 1.00 0.00 H new ATOM 157 N GLU A 10 -7.207 -8.043 -7.488 1.00 0.00 N ATOM 158 CA GLU A 10 -7.685 -9.378 -7.146 1.00 0.00 C ATOM 159 C GLU A 10 -7.430 -9.689 -5.674 1.00 0.00 C ATOM 160 O GLU A 10 -6.980 -8.828 -4.917 1.00 0.00 O ATOM 161 CB GLU A 10 -7.006 -10.429 -8.030 1.00 0.00 C ATOM 162 CG GLU A 10 -7.902 -10.958 -9.139 1.00 0.00 C ATOM 163 CD GLU A 10 -8.275 -12.415 -8.944 1.00 0.00 C ATOM 164 OE1 GLU A 10 -7.386 -13.280 -9.089 1.00 0.00 O ATOM 165 OE2 GLU A 10 -9.456 -12.690 -8.646 1.00 0.00 O ATOM 0 H GLU A 10 -6.289 -8.023 -7.933 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.760 -9.407 -7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.110 -9.995 -8.473 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.682 -11.262 -7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.810 -10.357 -9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.395 -10.842 -10.097 1.00 0.00 H new ATOM 217 N THR A 14 -4.019 -10.189 -0.356 1.00 0.00 N ATOM 218 CA THR A 14 -4.916 -9.945 0.767 1.00 0.00 C ATOM 219 C THR A 14 -5.259 -11.243 1.496 1.00 0.00 C ATOM 220 O THR A 14 -5.653 -11.224 2.661 1.00 0.00 O ATOM 221 CB THR A 14 -6.199 -9.268 0.281 1.00 0.00 C ATOM 222 OG1 THR A 14 -6.855 -10.071 -0.683 1.00 0.00 O ATOM 223 CG2 THR A 14 -5.959 -7.907 -0.339 1.00 0.00 C ATOM 0 HA THR A 14 -4.403 -9.286 1.467 1.00 0.00 H new ATOM 0 HB THR A 14 -6.814 -9.140 1.172 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.200 -10.649 -1.128 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.909 -7.482 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.498 -7.248 0.397 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.296 -8.010 -1.198 1.00 0.00 H new ATOM 231 N SER A 15 -5.113 -12.370 0.804 1.00 0.00 N ATOM 232 CA SER A 15 -5.415 -13.670 1.391 1.00 0.00 C ATOM 233 C SER A 15 -4.374 -14.064 2.438 1.00 0.00 C ATOM 234 O SER A 15 -4.718 -14.574 3.503 1.00 0.00 O ATOM 235 CB SER A 15 -5.487 -14.739 0.300 1.00 0.00 C ATOM 236 OG SER A 15 -6.821 -14.927 -0.142 1.00 0.00 O ATOM 0 H SER A 15 -4.788 -12.408 -0.162 1.00 0.00 H new ATOM 0 HA SER A 15 -6.383 -13.595 1.887 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.859 -14.447 -0.542 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.091 -15.680 0.682 1.00 0.00 H new ATOM 0 HG SER A 15 -6.840 -15.614 -0.841 1.00 0.00 H new ATOM 242 N SER A 16 -3.102 -13.834 2.125 1.00 0.00 N ATOM 243 CA SER A 16 -2.018 -14.177 3.042 1.00 0.00 C ATOM 244 C SER A 16 -1.499 -12.943 3.774 1.00 0.00 C ATOM 245 O SER A 16 -1.424 -12.924 5.002 1.00 0.00 O ATOM 246 CB SER A 16 -0.874 -14.852 2.283 1.00 0.00 C ATOM 247 OG SER A 16 -0.402 -14.025 1.233 1.00 0.00 O ATOM 0 H SER A 16 -2.797 -13.413 1.247 1.00 0.00 H new ATOM 0 HA SER A 16 -2.416 -14.870 3.783 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.058 -15.074 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.215 -15.804 1.876 1.00 0.00 H new ATOM 0 HG SER A 16 0.330 -14.478 0.764 1.00 0.00 H new ATOM 253 N LEU A 17 -1.137 -11.915 3.011 1.00 0.00 N ATOM 254 CA LEU A 17 -0.619 -10.675 3.585 1.00 0.00 C ATOM 255 C LEU A 17 -1.502 -10.190 4.732 1.00 0.00 C ATOM 256 O LEU A 17 -1.015 -9.925 5.830 1.00 0.00 O ATOM 257 CB LEU A 17 -0.512 -9.599 2.499 1.00 0.00 C ATOM 258 CG LEU A 17 -0.096 -8.200 2.974 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.322 -7.357 3.282 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.822 -8.282 4.189 1.00 0.00 C ATOM 0 H LEU A 17 -1.193 -11.916 1.993 1.00 0.00 H new ATOM 0 HA LEU A 17 0.374 -10.872 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.207 -9.936 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.477 -9.519 1.999 1.00 0.00 H new ATOM 0 HG LEU A 17 0.460 -7.721 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.009 -6.368 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.931 -7.259 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.907 -7.838 4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.100 -7.276 4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.303 -8.786 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.720 -8.843 3.929 1.00 0.00 H new ATOM 272 N SER A 18 -2.802 -10.085 4.477 1.00 0.00 N ATOM 273 CA SER A 18 -3.745 -9.641 5.501 1.00 0.00 C ATOM 274 C SER A 18 -3.561 -10.440 6.790 1.00 0.00 C ATOM 275 O SER A 18 -3.501 -9.874 7.882 1.00 0.00 O ATOM 276 CB SER A 18 -5.183 -9.784 5.003 1.00 0.00 C ATOM 277 OG SER A 18 -5.385 -9.048 3.809 1.00 0.00 O ATOM 0 H SER A 18 -3.227 -10.300 3.575 1.00 0.00 H new ATOM 0 HA SER A 18 -3.545 -8.590 5.710 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.407 -10.836 4.828 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.873 -9.434 5.771 1.00 0.00 H new ATOM 0 HG SER A 18 -5.897 -9.590 3.173 1.00 0.00 H new ATOM 283 N ALA A 19 -3.465 -11.759 6.652 1.00 0.00 N ATOM 284 CA ALA A 19 -3.280 -12.638 7.800 1.00 0.00 C ATOM 285 C ALA A 19 -1.992 -12.297 8.540 1.00 0.00 C ATOM 286 O ALA A 19 -1.956 -12.280 9.771 1.00 0.00 O ATOM 287 CB ALA A 19 -3.265 -14.092 7.355 1.00 0.00 C ATOM 0 H ALA A 19 -3.512 -12.242 5.755 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.116 -12.489 8.483 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.126 -14.737 8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.211 -14.334 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.447 -14.249 6.652 1.00 0.00 H new ATOM 293 N ILE A 20 -0.938 -12.016 7.780 1.00 0.00 N ATOM 294 CA ILE A 20 0.355 -11.665 8.357 1.00 0.00 C ATOM 295 C ILE A 20 0.215 -10.472 9.298 1.00 0.00 C ATOM 296 O ILE A 20 0.512 -10.569 10.487 1.00 0.00 O ATOM 297 CB ILE A 20 1.388 -11.348 7.249 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.980 -12.641 6.693 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.494 -10.437 7.763 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.869 -12.426 5.487 1.00 0.00 C ATOM 0 H ILE A 20 -0.954 -12.025 6.760 1.00 0.00 H new ATOM 0 HA ILE A 20 0.712 -12.523 8.926 1.00 0.00 H new ATOM 0 HB ILE A 20 0.869 -10.822 6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.556 -13.134 7.476 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.168 -13.316 6.421 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.202 -10.235 6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.061 -9.499 8.110 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.012 -10.924 8.589 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.255 -13.386 5.144 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.292 -11.961 4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.701 -11.776 5.759 1.00 0.00 H new ATOM 312 N LEU A 21 -0.248 -9.352 8.754 1.00 0.00 N ATOM 313 CA LEU A 21 -0.441 -8.138 9.541 1.00 0.00 C ATOM 314 C LEU A 21 -1.167 -8.447 10.847 1.00 0.00 C ATOM 315 O LEU A 21 -0.834 -7.902 11.899 1.00 0.00 O ATOM 316 CB LEU A 21 -1.244 -7.130 8.732 1.00 0.00 C ATOM 317 CG LEU A 21 -0.682 -6.852 7.340 1.00 0.00 C ATOM 318 CD1 LEU A 21 -1.779 -6.951 6.292 1.00 0.00 C ATOM 319 CD2 LEU A 21 -0.013 -5.488 7.307 1.00 0.00 C ATOM 0 H LEU A 21 -0.497 -9.259 7.769 1.00 0.00 H new ATOM 0 HA LEU A 21 0.537 -7.721 9.782 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.267 -7.494 8.632 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.292 -6.192 9.286 1.00 0.00 H new ATOM 0 HG LEU A 21 0.070 -7.606 7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.360 -6.750 5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.207 -7.953 6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.558 -6.221 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.384 -5.301 6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.743 -4.718 7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.801 -5.464 8.031 1.00 0.00 H new ATOM 331 N GLU A 22 -2.158 -9.329 10.766 1.00 0.00 N ATOM 332 CA GLU A 22 -2.933 -9.720 11.936 1.00 0.00 C ATOM 333 C GLU A 22 -2.051 -10.416 12.968 1.00 0.00 C ATOM 334 O GLU A 22 -2.327 -10.366 14.166 1.00 0.00 O ATOM 335 CB GLU A 22 -4.085 -10.633 11.530 1.00 0.00 C ATOM 336 CG GLU A 22 -5.367 -9.884 11.198 1.00 0.00 C ATOM 337 CD GLU A 22 -5.668 -9.872 9.711 1.00 0.00 C ATOM 338 OE1 GLU A 22 -5.607 -10.952 9.085 1.00 0.00 O ATOM 339 OE2 GLU A 22 -5.966 -8.785 9.175 1.00 0.00 O ATOM 0 H GLU A 22 -2.443 -9.787 9.900 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.341 -8.816 12.388 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.783 -11.222 10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.284 -11.336 12.339 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.200 -10.344 11.730 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.287 -8.858 11.557 1.00 0.00 H new ATOM 346 N GLU A 23 -0.986 -11.061 12.498 1.00 0.00 N ATOM 347 CA GLU A 23 -0.067 -11.756 13.384 1.00 0.00 C ATOM 348 C GLU A 23 0.898 -10.764 14.025 1.00 0.00 C ATOM 349 O GLU A 23 1.298 -10.924 15.178 1.00 0.00 O ATOM 350 CB GLU A 23 0.703 -12.826 12.604 1.00 0.00 C ATOM 351 CG GLU A 23 1.940 -13.340 13.320 1.00 0.00 C ATOM 352 CD GLU A 23 2.057 -14.851 13.279 1.00 0.00 C ATOM 353 OE1 GLU A 23 2.608 -15.378 12.290 1.00 0.00 O ATOM 354 OE2 GLU A 23 1.596 -15.507 14.236 1.00 0.00 O ATOM 0 H GLU A 23 -0.742 -11.115 11.509 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.637 -12.243 14.175 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.037 -13.665 12.403 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.999 -12.415 11.638 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.827 -12.899 12.865 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.917 -13.010 14.359 1.00 0.00 H new ATOM 361 N GLU A 24 1.265 -9.739 13.265 1.00 0.00 N ATOM 362 CA GLU A 24 2.181 -8.715 13.750 1.00 0.00 C ATOM 363 C GLU A 24 1.476 -7.746 14.695 1.00 0.00 C ATOM 364 O GLU A 24 2.111 -7.116 15.540 1.00 0.00 O ATOM 365 CB GLU A 24 2.789 -7.949 12.578 1.00 0.00 C ATOM 366 CG GLU A 24 3.835 -8.741 11.809 1.00 0.00 C ATOM 367 CD GLU A 24 4.899 -9.335 12.712 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.480 -8.582 13.522 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.152 -10.554 12.609 1.00 0.00 O ATOM 0 H GLU A 24 0.941 -9.595 12.308 1.00 0.00 H new ATOM 0 HA GLU A 24 2.977 -9.214 14.303 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.992 -7.656 11.894 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.243 -7.031 12.951 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.344 -9.542 11.256 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.309 -8.091 11.074 1.00 0.00 H new ATOM 376 N GLY A 25 0.159 -7.630 14.547 1.00 0.00 N ATOM 377 CA GLY A 25 -0.605 -6.736 15.391 1.00 0.00 C ATOM 378 C GLY A 25 -0.975 -5.448 14.683 1.00 0.00 C ATOM 379 O GLY A 25 -1.139 -4.406 15.318 1.00 0.00 O ATOM 0 H GLY A 25 -0.391 -8.141 13.856 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.513 -7.240 15.721 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.027 -6.503 16.285 1.00 0.00 H new ATOM 383 N TYR A 26 -1.106 -5.519 13.363 1.00 0.00 N ATOM 384 CA TYR A 26 -1.458 -4.354 12.562 1.00 0.00 C ATOM 385 C TYR A 26 -2.947 -4.351 12.232 1.00 0.00 C ATOM 386 O TYR A 26 -3.697 -5.216 12.686 1.00 0.00 O ATOM 387 CB TYR A 26 -0.645 -4.338 11.266 1.00 0.00 C ATOM 388 CG TYR A 26 0.813 -3.986 11.457 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.197 -2.697 11.802 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.804 -4.942 11.284 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.527 -2.371 11.971 1.00 0.00 C ATOM 392 CE2 TYR A 26 3.139 -4.624 11.452 1.00 0.00 C ATOM 393 CZ TYR A 26 3.496 -3.337 11.795 1.00 0.00 C ATOM 394 OH TYR A 26 4.824 -3.013 11.966 1.00 0.00 O ATOM 0 H TYR A 26 -0.973 -6.375 12.824 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.228 -3.462 13.144 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.712 -5.319 10.795 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.093 -3.622 10.577 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.442 -1.937 11.940 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.528 -5.951 11.014 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.808 -1.364 12.240 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.898 -5.380 11.315 1.00 0.00 H new ATOM 0 HH TYR A 26 5.377 -3.806 11.806 1.00 0.00 H new ATOM 404 N HIS A 27 -3.366 -3.376 11.431 1.00 0.00 N ATOM 405 CA HIS A 27 -4.762 -3.260 11.026 1.00 0.00 C ATOM 406 C HIS A 27 -4.860 -2.988 9.528 1.00 0.00 C ATOM 407 O HIS A 27 -4.858 -1.836 9.097 1.00 0.00 O ATOM 408 CB HIS A 27 -5.452 -2.139 11.805 1.00 0.00 C ATOM 409 CG HIS A 27 -6.912 -2.381 12.038 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.435 -2.696 13.273 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.962 -2.350 11.182 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.744 -2.851 13.168 1.00 0.00 C ATOM 413 NE2 HIS A 27 -9.088 -2.646 11.910 1.00 0.00 N ATOM 0 H HIS A 27 -2.756 -2.653 11.049 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.263 -4.203 11.247 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.954 -2.017 12.767 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.330 -1.202 11.262 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.921 -2.133 10.125 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.417 -3.103 13.974 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.037 -2.699 11.539 1.00 0.00 H new ATOM 422 N PRO A 28 -4.936 -4.052 8.711 1.00 0.00 N ATOM 423 CA PRO A 28 -5.021 -3.920 7.258 1.00 0.00 C ATOM 424 C PRO A 28 -6.421 -3.561 6.777 1.00 0.00 C ATOM 425 O PRO A 28 -7.411 -4.159 7.198 1.00 0.00 O ATOM 426 CB PRO A 28 -4.614 -5.301 6.758 1.00 0.00 C ATOM 427 CG PRO A 28 -5.014 -6.239 7.847 1.00 0.00 C ATOM 428 CD PRO A 28 -4.933 -5.464 9.140 1.00 0.00 C ATOM 0 HA PRO A 28 -4.391 -3.112 6.886 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.116 -5.546 5.822 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.542 -5.352 6.567 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.024 -6.614 7.683 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.353 -7.105 7.873 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.779 -5.685 9.791 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.029 -5.710 9.697 1.00 0.00 H new ATOM 436 N ASP A 29 -6.490 -2.570 5.894 1.00 0.00 N ATOM 437 CA ASP A 29 -7.771 -2.122 5.357 1.00 0.00 C ATOM 438 C ASP A 29 -7.952 -2.513 3.902 1.00 0.00 C ATOM 439 O ASP A 29 -8.922 -2.110 3.263 1.00 0.00 O ATOM 440 CB ASP A 29 -7.933 -0.617 5.531 1.00 0.00 C ATOM 441 CG ASP A 29 -9.285 -0.244 6.108 1.00 0.00 C ATOM 442 OD1 ASP A 29 -9.469 -0.394 7.335 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.159 0.198 5.333 1.00 0.00 O ATOM 0 H ASP A 29 -5.680 -2.064 5.537 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.550 -2.628 5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.146 -0.243 6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.805 -0.127 4.566 1.00 0.00 H new ATOM 448 N THR A 30 -7.001 -3.288 3.399 1.00 0.00 N ATOM 449 CA THR A 30 -6.980 -3.772 2.009 1.00 0.00 C ATOM 450 C THR A 30 -8.109 -3.217 1.144 1.00 0.00 C ATOM 451 O THR A 30 -9.291 -3.401 1.438 1.00 0.00 O ATOM 452 CB THR A 30 -7.022 -5.296 1.974 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.328 -5.769 2.253 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.075 -5.946 2.959 1.00 0.00 C ATOM 0 H THR A 30 -6.204 -3.609 3.949 1.00 0.00 H new ATOM 0 HA THR A 30 -6.046 -3.405 1.585 1.00 0.00 H new ATOM 0 HB THR A 30 -6.711 -5.569 0.966 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.970 -5.036 2.150 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.156 -7.030 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.052 -5.642 2.736 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.333 -5.635 3.971 1.00 0.00 H new ATOM 462 N ALA A 31 -7.726 -2.557 0.060 1.00 0.00 N ATOM 463 CA ALA A 31 -8.686 -1.983 -0.870 1.00 0.00 C ATOM 464 C ALA A 31 -8.815 -2.846 -2.122 1.00 0.00 C ATOM 465 O ALA A 31 -8.396 -4.004 -2.136 1.00 0.00 O ATOM 466 CB ALA A 31 -8.276 -0.565 -1.239 1.00 0.00 C ATOM 0 H ALA A 31 -6.751 -2.406 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.660 -1.951 -0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.002 -0.146 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.240 0.049 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.292 -0.581 -1.707 1.00 0.00 H new ATOM 472 N LYS A 32 -9.399 -2.276 -3.170 1.00 0.00 N ATOM 473 CA LYS A 32 -9.589 -2.988 -4.424 1.00 0.00 C ATOM 474 C LYS A 32 -8.773 -2.342 -5.540 1.00 0.00 C ATOM 475 O LYS A 32 -8.185 -3.031 -6.371 1.00 0.00 O ATOM 476 CB LYS A 32 -11.080 -3.010 -4.780 1.00 0.00 C ATOM 477 CG LYS A 32 -11.356 -3.154 -6.264 1.00 0.00 C ATOM 478 CD LYS A 32 -12.841 -3.029 -6.571 1.00 0.00 C ATOM 479 CE LYS A 32 -13.257 -3.966 -7.693 1.00 0.00 C ATOM 480 NZ LYS A 32 -14.621 -3.651 -8.204 1.00 0.00 N ATOM 0 H LYS A 32 -9.750 -1.318 -3.174 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.238 -4.014 -4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.558 -3.834 -4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.542 -2.090 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.805 -2.391 -6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.992 -4.121 -6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.419 -3.253 -5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.071 -2.001 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.538 -3.896 -8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.232 -4.995 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.867 -4.313 -8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.311 -3.743 -7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.638 -2.678 -8.570 1.00 0.00 H new ATOM 494 N THR A 33 -8.740 -1.018 -5.551 1.00 0.00 N ATOM 495 CA THR A 33 -7.996 -0.284 -6.565 1.00 0.00 C ATOM 496 C THR A 33 -7.692 1.129 -6.084 1.00 0.00 C ATOM 497 O THR A 33 -7.965 1.473 -4.936 1.00 0.00 O ATOM 498 CB THR A 33 -8.789 -0.236 -7.872 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.144 0.092 -7.625 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.765 -1.544 -8.634 1.00 0.00 C ATOM 0 H THR A 33 -9.219 -0.429 -4.870 1.00 0.00 H new ATOM 0 HA THR A 33 -7.053 -0.801 -6.744 1.00 0.00 H new ATOM 0 HB THR A 33 -8.302 0.528 -8.477 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.634 0.119 -8.473 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.346 -1.442 -9.551 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.736 -1.801 -8.884 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.196 -2.332 -8.017 1.00 0.00 H new ATOM 508 N LEU A 34 -7.126 1.943 -6.964 1.00 0.00 N ATOM 509 CA LEU A 34 -6.792 3.317 -6.618 1.00 0.00 C ATOM 510 C LEU A 34 -8.055 4.124 -6.347 1.00 0.00 C ATOM 511 O LEU A 34 -8.135 4.853 -5.358 1.00 0.00 O ATOM 512 CB LEU A 34 -5.971 3.957 -7.735 1.00 0.00 C ATOM 513 CG LEU A 34 -4.665 3.232 -8.058 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.102 3.709 -9.387 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.656 3.432 -6.935 1.00 0.00 C ATOM 0 H LEU A 34 -6.889 1.677 -7.920 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.193 3.311 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.581 4.000 -8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.741 4.985 -7.456 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.872 2.165 -8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.172 3.181 -9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.822 3.508 -10.180 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.907 4.780 -9.336 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.731 2.910 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.451 4.496 -6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.063 3.034 -6.005 1.00 0.00 H new ATOM 527 N ARG A 35 -9.050 3.976 -7.216 1.00 0.00 N ATOM 528 CA ARG A 35 -10.315 4.681 -7.046 1.00 0.00 C ATOM 529 C ARG A 35 -10.972 4.252 -5.740 1.00 0.00 C ATOM 530 O ARG A 35 -11.386 5.086 -4.932 1.00 0.00 O ATOM 531 CB ARG A 35 -11.248 4.398 -8.224 1.00 0.00 C ATOM 532 CG ARG A 35 -11.178 5.448 -9.321 1.00 0.00 C ATOM 533 CD ARG A 35 -12.313 5.287 -10.321 1.00 0.00 C ATOM 534 NE ARG A 35 -12.127 6.129 -11.500 1.00 0.00 N ATOM 535 CZ ARG A 35 -13.106 6.456 -12.340 1.00 0.00 C ATOM 536 NH1 ARG A 35 -14.341 6.013 -12.136 1.00 0.00 N ATOM 537 NH2 ARG A 35 -12.851 7.226 -13.389 1.00 0.00 N ATOM 0 H ARG A 35 -9.005 3.377 -8.041 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.119 5.753 -7.012 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.000 3.425 -8.648 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.273 4.335 -7.858 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.221 6.443 -8.877 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.222 5.371 -9.839 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.380 4.243 -10.628 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.258 5.540 -9.840 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.191 6.488 -11.691 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.543 5.419 -11.332 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.087 6.267 -12.783 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.904 7.568 -13.552 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.602 7.476 -14.032 1.00 0.00 H new ATOM 551 N GLU A 36 -11.042 2.941 -5.531 1.00 0.00 N ATOM 552 CA GLU A 36 -11.626 2.392 -4.316 1.00 0.00 C ATOM 553 C GLU A 36 -10.755 2.742 -3.114 1.00 0.00 C ATOM 554 O GLU A 36 -11.255 2.937 -2.004 1.00 0.00 O ATOM 555 CB GLU A 36 -11.775 0.871 -4.436 1.00 0.00 C ATOM 556 CG GLU A 36 -12.859 0.295 -3.541 1.00 0.00 C ATOM 557 CD GLU A 36 -14.209 0.228 -4.229 1.00 0.00 C ATOM 558 OE1 GLU A 36 -14.367 -0.607 -5.144 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.107 1.009 -3.851 1.00 0.00 O ATOM 0 H GLU A 36 -10.701 2.240 -6.189 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.615 2.828 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.997 0.616 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.823 0.400 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.568 -0.706 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.944 0.904 -2.641 1.00 0.00 H new ATOM 566 N ALA A 37 -9.448 2.828 -3.348 1.00 0.00 N ATOM 567 CA ALA A 37 -8.503 3.165 -2.294 1.00 0.00 C ATOM 568 C ALA A 37 -8.649 4.624 -1.887 1.00 0.00 C ATOM 569 O ALA A 37 -8.412 4.982 -0.734 1.00 0.00 O ATOM 570 CB ALA A 37 -7.079 2.876 -2.746 1.00 0.00 C ATOM 0 H ALA A 37 -9.021 2.668 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.723 2.545 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.384 3.133 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.981 1.817 -2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.850 3.470 -3.631 1.00 0.00 H new ATOM 576 N GLU A 38 -9.061 5.460 -2.834 1.00 0.00 N ATOM 577 CA GLU A 38 -9.260 6.874 -2.557 1.00 0.00 C ATOM 578 C GLU A 38 -10.450 7.051 -1.628 1.00 0.00 C ATOM 579 O GLU A 38 -10.392 7.810 -0.660 1.00 0.00 O ATOM 580 CB GLU A 38 -9.482 7.651 -3.852 1.00 0.00 C ATOM 581 CG GLU A 38 -8.228 7.797 -4.699 1.00 0.00 C ATOM 582 CD GLU A 38 -8.539 8.049 -6.161 1.00 0.00 C ATOM 583 OE1 GLU A 38 -8.985 9.169 -6.489 1.00 0.00 O ATOM 584 OE2 GLU A 38 -8.338 7.126 -6.978 1.00 0.00 O ATOM 0 H GLU A 38 -9.262 5.183 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.365 7.266 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.250 7.149 -4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.864 8.643 -3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.626 8.619 -4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.626 6.893 -4.610 1.00 0.00 H new ATOM 591 N LYS A 39 -11.526 6.327 -1.922 1.00 0.00 N ATOM 592 CA LYS A 39 -12.730 6.384 -1.105 1.00 0.00 C ATOM 593 C LYS A 39 -12.418 5.940 0.320 1.00 0.00 C ATOM 594 O LYS A 39 -12.966 6.476 1.283 1.00 0.00 O ATOM 595 CB LYS A 39 -13.823 5.499 -1.708 1.00 0.00 C ATOM 596 CG LYS A 39 -15.071 5.391 -0.846 1.00 0.00 C ATOM 597 CD LYS A 39 -14.922 4.310 0.212 1.00 0.00 C ATOM 598 CE LYS A 39 -16.232 3.573 0.444 1.00 0.00 C ATOM 599 NZ LYS A 39 -17.268 4.456 1.049 1.00 0.00 N ATOM 0 H LYS A 39 -11.587 5.695 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.089 7.413 -1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.101 5.895 -2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.419 4.500 -1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.267 6.349 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.932 5.169 -1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.154 3.601 -0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.585 4.758 1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.599 3.179 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.057 2.719 1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.145 3.915 1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.929 4.812 1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.455 5.258 0.414 1.00 0.00 H new ATOM 613 N LYS A 40 -11.528 4.958 0.445 1.00 0.00 N ATOM 614 CA LYS A 40 -11.136 4.447 1.753 1.00 0.00 C ATOM 615 C LYS A 40 -10.220 5.438 2.466 1.00 0.00 C ATOM 616 O LYS A 40 -10.371 5.689 3.662 1.00 0.00 O ATOM 617 CB LYS A 40 -10.431 3.098 1.607 1.00 0.00 C ATOM 618 CG LYS A 40 -11.340 1.987 1.109 1.00 0.00 C ATOM 619 CD LYS A 40 -10.666 0.625 1.209 1.00 0.00 C ATOM 620 CE LYS A 40 -11.485 -0.351 2.042 1.00 0.00 C ATOM 621 NZ LYS A 40 -11.806 -1.592 1.285 1.00 0.00 N ATOM 0 H LYS A 40 -11.067 4.502 -0.342 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.038 4.313 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.594 3.208 0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.013 2.809 2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.261 1.981 1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.619 2.181 0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.521 0.217 0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.677 0.740 1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.933 -0.609 2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.410 0.130 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.628 -2.059 1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.025 -1.350 0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.989 -2.235 1.311 1.00 0.00 H new ATOM 635 N ILE A 41 -9.272 6.000 1.723 1.00 0.00 N ATOM 636 CA ILE A 41 -8.333 6.967 2.283 1.00 0.00 C ATOM 637 C ILE A 41 -9.011 8.312 2.531 1.00 0.00 C ATOM 638 O ILE A 41 -8.564 9.096 3.368 1.00 0.00 O ATOM 639 CB ILE A 41 -7.121 7.176 1.352 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.446 5.838 1.048 1.00 0.00 C ATOM 641 CG2 ILE A 41 -6.127 8.145 1.979 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.825 5.773 -0.329 1.00 0.00 C ATOM 0 H ILE A 41 -9.133 5.803 0.732 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.986 6.559 3.232 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.475 7.606 0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.674 5.652 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.182 5.039 1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.278 8.280 1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.613 9.106 2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.777 7.743 2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.365 4.796 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.596 5.927 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.066 6.549 -0.423 1.00 0.00 H new ATOM 654 N LYS A 42 -10.090 8.574 1.797 1.00 0.00 N ATOM 655 CA LYS A 42 -10.827 9.825 1.936 1.00 0.00 C ATOM 656 C LYS A 42 -11.185 10.098 3.395 1.00 0.00 C ATOM 657 O LYS A 42 -11.362 11.249 3.795 1.00 0.00 O ATOM 658 CB LYS A 42 -12.097 9.782 1.090 1.00 0.00 C ATOM 659 CG LYS A 42 -12.612 11.157 0.700 1.00 0.00 C ATOM 660 CD LYS A 42 -14.098 11.125 0.382 1.00 0.00 C ATOM 661 CE LYS A 42 -14.363 10.517 -0.986 1.00 0.00 C ATOM 662 NZ LYS A 42 -15.683 10.936 -1.534 1.00 0.00 N ATOM 0 H LYS A 42 -10.473 7.935 1.100 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.185 10.634 1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.902 9.206 0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.875 9.255 1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.428 11.860 1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.061 11.521 -0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.622 10.549 1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.500 12.138 0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.573 10.815 -1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.329 9.430 -0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.826 10.500 -2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.440 10.629 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.707 11.971 -1.628 1.00 0.00 H new ATOM 676 N GLU A 43 -11.288 9.035 4.186 1.00 0.00 N ATOM 677 CA GLU A 43 -11.623 9.162 5.597 1.00 0.00 C ATOM 678 C GLU A 43 -10.567 8.497 6.474 1.00 0.00 C ATOM 679 O GLU A 43 -9.954 9.143 7.323 1.00 0.00 O ATOM 680 CB GLU A 43 -12.995 8.546 5.876 1.00 0.00 C ATOM 681 CG GLU A 43 -14.121 9.182 5.078 1.00 0.00 C ATOM 682 CD GLU A 43 -15.344 8.290 4.982 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.718 7.683 6.007 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.926 8.199 3.882 1.00 0.00 O ATOM 0 H GLU A 43 -11.144 8.075 3.872 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.652 10.224 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.958 7.480 5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.217 8.639 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.401 10.128 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.765 9.413 4.074 1.00 0.00 H new ATOM 691 N LEU A 44 -10.359 7.202 6.260 1.00 0.00 N ATOM 692 CA LEU A 44 -9.376 6.449 7.031 1.00 0.00 C ATOM 693 C LEU A 44 -7.972 7.006 6.818 1.00 0.00 C ATOM 694 O LEU A 44 -7.493 7.095 5.689 1.00 0.00 O ATOM 695 CB LEU A 44 -9.420 4.969 6.640 1.00 0.00 C ATOM 696 CG LEU A 44 -9.864 4.018 7.753 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.866 4.037 8.901 1.00 0.00 C ATOM 698 CD2 LEU A 44 -11.254 4.389 8.246 1.00 0.00 C ATOM 0 H LEU A 44 -10.857 6.652 5.560 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.625 6.546 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.096 4.853 5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.429 4.669 6.301 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.901 3.007 7.348 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.198 3.355 9.683 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.887 3.723 8.538 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.796 5.047 9.306 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.555 3.703 9.038 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.243 5.408 8.634 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.963 4.323 7.420 1.00 0.00 H new ATOM 710 N PHE A 45 -7.317 7.380 7.914 1.00 0.00 N ATOM 711 CA PHE A 45 -5.967 7.927 7.849 1.00 0.00 C ATOM 712 C PHE A 45 -4.928 6.811 7.878 1.00 0.00 C ATOM 713 O PHE A 45 -4.336 6.527 8.919 1.00 0.00 O ATOM 714 CB PHE A 45 -5.728 8.892 9.011 1.00 0.00 C ATOM 715 CG PHE A 45 -4.371 9.535 8.989 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.973 10.306 7.908 1.00 0.00 C ATOM 717 CD2 PHE A 45 -3.494 9.371 10.049 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.725 10.898 7.885 1.00 0.00 C ATOM 719 CE2 PHE A 45 -2.244 9.961 10.031 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.859 10.727 8.948 1.00 0.00 C ATOM 0 H PHE A 45 -7.700 7.314 8.857 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.866 8.470 6.909 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.490 9.671 8.988 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.850 8.353 9.951 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.646 10.445 7.075 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.791 8.775 10.900 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.426 11.495 7.036 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.569 9.823 10.863 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.884 11.191 8.932 1.00 0.00 H new ATOM 730 N PHE A 46 -4.712 6.179 6.729 1.00 0.00 N ATOM 731 CA PHE A 46 -3.745 5.094 6.625 1.00 0.00 C ATOM 732 C PHE A 46 -2.314 5.630 6.656 1.00 0.00 C ATOM 733 O PHE A 46 -1.903 6.359 5.755 1.00 0.00 O ATOM 734 CB PHE A 46 -3.967 4.303 5.334 1.00 0.00 C ATOM 735 CG PHE A 46 -5.313 3.642 5.255 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.757 2.821 6.277 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.132 3.844 4.156 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.997 2.212 6.206 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.370 3.238 4.078 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.804 2.422 5.104 1.00 0.00 C ATOM 0 H PHE A 46 -5.194 6.400 5.857 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.890 4.435 7.481 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.851 4.974 4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.192 3.541 5.247 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.129 2.654 7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.798 4.483 3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.334 1.574 7.010 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.999 3.402 3.215 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.773 1.949 5.045 1.00 0.00 H new ATOM 750 N PRO A 47 -1.530 5.265 7.688 1.00 0.00 N ATOM 751 CA PRO A 47 -0.136 5.707 7.815 1.00 0.00 C ATOM 752 C PRO A 47 0.777 4.998 6.818 1.00 0.00 C ATOM 753 O PRO A 47 1.898 5.435 6.561 1.00 0.00 O ATOM 754 CB PRO A 47 0.223 5.311 9.248 1.00 0.00 C ATOM 755 CG PRO A 47 -0.639 4.131 9.529 1.00 0.00 C ATOM 756 CD PRO A 47 -1.931 4.384 8.800 1.00 0.00 C ATOM 0 HA PRO A 47 -0.015 6.771 7.610 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.280 5.062 9.339 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.025 6.124 9.947 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.168 3.211 9.182 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.810 4.018 10.600 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.376 3.457 8.438 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.669 4.861 9.445 1.00 0.00 H new ATOM 764 N VAL A 48 0.280 3.902 6.255 1.00 0.00 N ATOM 765 CA VAL A 48 1.029 3.126 5.283 1.00 0.00 C ATOM 766 C VAL A 48 0.095 2.498 4.254 1.00 0.00 C ATOM 767 O VAL A 48 -0.918 1.899 4.606 1.00 0.00 O ATOM 768 CB VAL A 48 1.827 2.013 5.971 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.909 1.471 5.051 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.416 2.538 7.259 1.00 0.00 C ATOM 0 H VAL A 48 -0.648 3.531 6.460 1.00 0.00 H new ATOM 0 HA VAL A 48 1.716 3.808 4.782 1.00 0.00 H new ATOM 0 HB VAL A 48 1.157 1.186 6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.461 0.683 5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.450 1.066 4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.593 2.275 4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.984 1.747 7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.077 3.377 7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.613 2.869 7.918 1.00 0.00 H new ATOM 780 N ILE A 49 0.447 2.640 2.986 1.00 0.00 N ATOM 781 CA ILE A 49 -0.344 2.087 1.898 1.00 0.00 C ATOM 782 C ILE A 49 0.475 1.063 1.123 1.00 0.00 C ATOM 783 O ILE A 49 1.706 1.065 1.189 1.00 0.00 O ATOM 784 CB ILE A 49 -0.825 3.184 0.927 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.293 4.419 1.701 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.940 2.655 0.039 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.513 4.167 2.560 1.00 0.00 C ATOM 0 H ILE A 49 1.284 3.139 2.683 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.218 1.611 2.342 1.00 0.00 H new ATOM 0 HB ILE A 49 0.012 3.475 0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.479 4.771 2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.515 5.218 0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.268 3.442 -0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.574 1.806 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.779 2.337 0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.788 5.085 3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.342 3.844 1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.289 3.390 3.291 1.00 0.00 H new ATOM 799 N VAL A 50 -0.201 0.192 0.387 1.00 0.00 N ATOM 800 CA VAL A 50 0.483 -0.827 -0.394 1.00 0.00 C ATOM 801 C VAL A 50 -0.291 -1.150 -1.662 1.00 0.00 C ATOM 802 O VAL A 50 -1.239 -1.935 -1.649 1.00 0.00 O ATOM 803 CB VAL A 50 0.695 -2.111 0.426 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.443 -3.157 -0.387 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.445 -1.784 1.705 1.00 0.00 C ATOM 0 H VAL A 50 -1.218 0.171 0.315 1.00 0.00 H new ATOM 0 HA VAL A 50 1.459 -0.425 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.279 -2.527 0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.581 -4.055 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.869 -3.403 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.417 -2.763 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.593 -2.696 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.414 -1.350 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.867 -1.071 2.293 1.00 0.00 H new ATOM 815 N LEU A 51 0.121 -0.522 -2.752 1.00 0.00 N ATOM 816 CA LEU A 51 -0.528 -0.716 -4.043 1.00 0.00 C ATOM 817 C LEU A 51 -0.056 -2.001 -4.718 1.00 0.00 C ATOM 818 O LEU A 51 1.142 -2.251 -4.840 1.00 0.00 O ATOM 819 CB LEU A 51 -0.259 0.481 -4.958 1.00 0.00 C ATOM 820 CG LEU A 51 -0.817 0.351 -6.377 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.326 0.169 -6.342 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.443 1.567 -7.210 1.00 0.00 C ATOM 0 H LEU A 51 0.905 0.130 -2.770 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.600 -0.800 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.683 1.373 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.818 0.636 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.376 -0.531 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.705 0.078 -7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.571 -0.733 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.785 1.032 -5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.848 1.457 -8.216 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.855 2.465 -6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.642 1.652 -7.263 1.00 0.00 H new ATOM 834 N ASP A 52 -1.017 -2.803 -5.161 1.00 0.00 N ATOM 835 CA ASP A 52 -0.729 -4.061 -5.838 1.00 0.00 C ATOM 836 C ASP A 52 -1.244 -4.012 -7.273 1.00 0.00 C ATOM 837 O ASP A 52 -2.391 -4.367 -7.544 1.00 0.00 O ATOM 838 CB ASP A 52 -1.376 -5.224 -5.082 1.00 0.00 C ATOM 839 CG ASP A 52 -0.354 -6.180 -4.500 1.00 0.00 C ATOM 840 OD1 ASP A 52 0.113 -5.931 -3.368 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.020 -7.177 -5.174 1.00 0.00 O ATOM 0 H ASP A 52 -2.012 -2.601 -5.062 1.00 0.00 H new ATOM 0 HA ASP A 52 0.350 -4.214 -5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.998 -4.829 -4.279 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.036 -5.769 -5.757 1.00 0.00 H new ATOM 846 N VAL A 53 -0.392 -3.552 -8.183 1.00 0.00 N ATOM 847 CA VAL A 53 -0.760 -3.433 -9.589 1.00 0.00 C ATOM 848 C VAL A 53 -0.974 -4.799 -10.239 1.00 0.00 C ATOM 849 O VAL A 53 -0.220 -5.202 -11.125 1.00 0.00 O ATOM 850 CB VAL A 53 0.312 -2.655 -10.379 1.00 0.00 C ATOM 851 CG1 VAL A 53 0.436 -1.235 -9.848 1.00 0.00 C ATOM 852 CG2 VAL A 53 1.654 -3.369 -10.319 1.00 0.00 C ATOM 0 H VAL A 53 0.560 -3.255 -7.971 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.701 -2.884 -9.620 1.00 0.00 H new ATOM 0 HB VAL A 53 0.001 -2.608 -11.423 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.197 -0.699 -10.416 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.521 -0.723 -9.950 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.721 -1.263 -8.796 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.394 -2.801 -10.883 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.976 -3.453 -9.281 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.556 -4.365 -10.750 1.00 0.00 H new ATOM 862 N TRP A 54 -2.017 -5.506 -9.805 1.00 0.00 N ATOM 863 CA TRP A 54 -2.327 -6.816 -10.365 1.00 0.00 C ATOM 864 C TRP A 54 -2.833 -6.670 -11.802 1.00 0.00 C ATOM 865 O TRP A 54 -2.036 -6.559 -12.733 1.00 0.00 O ATOM 866 CB TRP A 54 -3.356 -7.542 -9.489 1.00 0.00 C ATOM 867 CG TRP A 54 -3.823 -8.842 -10.071 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.069 -9.127 -10.551 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.047 -10.034 -10.234 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.114 -10.424 -11.003 1.00 0.00 N ATOM 871 CE2 TRP A 54 -3.885 -11.002 -10.818 1.00 0.00 C ATOM 872 CE3 TRP A 54 -1.724 -10.375 -9.941 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -3.442 -12.288 -11.115 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.285 -11.653 -10.237 1.00 0.00 C ATOM 875 CH2 TRP A 54 -2.143 -12.595 -10.819 1.00 0.00 C ATOM 0 H TRP A 54 -2.656 -5.195 -9.073 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.417 -7.416 -10.384 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.920 -7.728 -8.508 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.217 -6.891 -9.337 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.898 -8.435 -10.572 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.929 -10.882 -11.410 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.057 -9.654 -9.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.101 -13.017 -11.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.265 -11.929 -10.016 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.771 -13.585 -11.039 1.00 0.00 H new ATOM 886 N MET A 55 -4.153 -6.657 -11.983 1.00 0.00 N ATOM 887 CA MET A 55 -4.733 -6.509 -13.311 1.00 0.00 C ATOM 888 C MET A 55 -5.886 -5.496 -13.330 1.00 0.00 C ATOM 889 O MET A 55 -6.824 -5.646 -14.112 1.00 0.00 O ATOM 890 CB MET A 55 -5.226 -7.862 -13.825 1.00 0.00 C ATOM 891 CG MET A 55 -4.990 -8.071 -15.312 1.00 0.00 C ATOM 892 SD MET A 55 -6.358 -8.922 -16.121 1.00 0.00 S ATOM 893 CE MET A 55 -5.629 -10.532 -16.414 1.00 0.00 C ATOM 0 H MET A 55 -4.835 -6.747 -11.230 1.00 0.00 H new ATOM 0 HA MET A 55 -3.948 -6.130 -13.965 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.725 -8.656 -13.271 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.292 -7.953 -13.619 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.835 -7.104 -15.791 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.075 -8.647 -15.453 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.355 -11.175 -16.911 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.748 -10.423 -17.047 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.339 -10.979 -15.463 1.00 0.00 H new ATOM 903 N PRO A 56 -5.844 -4.442 -12.483 1.00 0.00 N ATOM 904 CA PRO A 56 -6.901 -3.429 -12.448 1.00 0.00 C ATOM 905 C PRO A 56 -6.730 -2.378 -13.541 1.00 0.00 C ATOM 906 O PRO A 56 -5.964 -2.570 -14.485 1.00 0.00 O ATOM 907 CB PRO A 56 -6.720 -2.797 -11.072 1.00 0.00 C ATOM 908 CG PRO A 56 -5.257 -2.895 -10.808 1.00 0.00 C ATOM 909 CD PRO A 56 -4.776 -4.143 -11.503 1.00 0.00 C ATOM 0 HA PRO A 56 -7.890 -3.856 -12.616 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.057 -1.760 -11.064 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.297 -3.326 -10.313 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.735 -2.016 -11.186 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.059 -2.947 -9.737 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.817 -3.981 -11.995 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.639 -4.964 -10.799 1.00 0.00 H new ATOM 917 N ASP A 57 -7.447 -1.266 -13.406 1.00 0.00 N ATOM 918 CA ASP A 57 -7.372 -0.184 -14.382 1.00 0.00 C ATOM 919 C ASP A 57 -6.811 1.085 -13.745 1.00 0.00 C ATOM 920 O ASP A 57 -7.125 2.196 -14.171 1.00 0.00 O ATOM 921 CB ASP A 57 -8.754 0.093 -14.972 1.00 0.00 C ATOM 922 CG ASP A 57 -8.711 1.110 -16.096 1.00 0.00 C ATOM 923 OD1 ASP A 57 -7.705 1.136 -16.835 1.00 0.00 O ATOM 924 OD2 ASP A 57 -9.685 1.880 -16.237 1.00 0.00 O ATOM 0 H ASP A 57 -8.086 -1.091 -12.631 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.700 -0.494 -15.182 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.180 -0.838 -15.345 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.416 0.454 -14.185 1.00 0.00 H new ATOM 929 N GLY A 58 -5.977 0.915 -12.722 1.00 0.00 N ATOM 930 CA GLY A 58 -5.388 2.055 -12.046 1.00 0.00 C ATOM 931 C GLY A 58 -4.132 2.553 -12.735 1.00 0.00 C ATOM 932 O GLY A 58 -4.206 3.279 -13.725 1.00 0.00 O ATOM 0 H GLY A 58 -5.699 0.007 -12.350 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.118 2.863 -12.000 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.150 1.781 -11.018 1.00 0.00 H new ATOM 936 N ASP A 59 -2.976 2.161 -12.208 1.00 0.00 N ATOM 937 CA ASP A 59 -1.699 2.573 -12.778 1.00 0.00 C ATOM 938 C ASP A 59 -1.596 4.096 -12.832 1.00 0.00 C ATOM 939 O ASP A 59 -1.206 4.669 -13.849 1.00 0.00 O ATOM 940 CB ASP A 59 -1.529 1.987 -14.182 1.00 0.00 C ATOM 941 CG ASP A 59 -0.867 0.623 -14.161 1.00 0.00 C ATOM 942 OD1 ASP A 59 0.007 0.399 -13.297 1.00 0.00 O ATOM 943 OD2 ASP A 59 -1.223 -0.223 -15.011 1.00 0.00 O ATOM 0 H ASP A 59 -2.898 1.559 -11.388 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.903 2.194 -12.137 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.505 1.907 -14.660 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.932 2.669 -14.788 1.00 0.00 H new ATOM 948 N GLY A 60 -1.956 4.744 -11.729 1.00 0.00 N ATOM 949 CA GLY A 60 -1.905 6.191 -11.669 1.00 0.00 C ATOM 950 C GLY A 60 -0.645 6.705 -10.999 1.00 0.00 C ATOM 951 O GLY A 60 -0.524 6.663 -9.776 1.00 0.00 O ATOM 0 H GLY A 60 -2.282 4.291 -10.875 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.965 6.595 -12.680 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.776 6.559 -11.127 1.00 0.00 H new ATOM 955 N VAL A 61 0.290 7.195 -11.805 1.00 0.00 N ATOM 956 CA VAL A 61 1.542 7.724 -11.292 1.00 0.00 C ATOM 957 C VAL A 61 1.291 8.910 -10.367 1.00 0.00 C ATOM 958 O VAL A 61 1.934 9.048 -9.328 1.00 0.00 O ATOM 959 CB VAL A 61 2.460 8.165 -12.448 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.791 8.651 -11.915 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.660 7.026 -13.436 1.00 0.00 C ATOM 0 H VAL A 61 0.201 7.236 -12.820 1.00 0.00 H new ATOM 0 HA VAL A 61 2.031 6.930 -10.728 1.00 0.00 H new ATOM 0 HB VAL A 61 1.980 8.991 -12.972 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.426 8.958 -12.746 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.629 9.499 -11.250 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.278 7.846 -11.365 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.311 7.356 -14.245 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.117 6.178 -12.926 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.695 6.726 -13.846 1.00 0.00 H new ATOM 971 N ASN A 62 0.349 9.762 -10.754 1.00 0.00 N ATOM 972 CA ASN A 62 0.007 10.938 -9.963 1.00 0.00 C ATOM 973 C ASN A 62 -0.660 10.547 -8.643 1.00 0.00 C ATOM 974 O ASN A 62 -0.804 11.378 -7.746 1.00 0.00 O ATOM 975 CB ASN A 62 -0.918 11.860 -10.762 1.00 0.00 C ATOM 976 CG ASN A 62 -0.328 13.242 -10.961 1.00 0.00 C ATOM 977 OD1 ASN A 62 -0.968 14.252 -10.665 1.00 0.00 O ATOM 978 ND2 ASN A 62 0.899 13.295 -11.466 1.00 0.00 N ATOM 0 H ASN A 62 -0.192 9.660 -11.612 1.00 0.00 H new ATOM 0 HA ASN A 62 0.932 11.466 -9.732 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.121 11.412 -11.734 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.874 11.947 -10.245 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.347 14.198 -11.623 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.393 12.433 -11.697 1.00 0.00 H new ATOM 985 N PHE A 63 -1.068 9.284 -8.526 1.00 0.00 N ATOM 986 CA PHE A 63 -1.722 8.804 -7.311 1.00 0.00 C ATOM 987 C PHE A 63 -0.871 9.086 -6.076 1.00 0.00 C ATOM 988 O PHE A 63 -1.394 9.449 -5.022 1.00 0.00 O ATOM 989 CB PHE A 63 -2.010 7.304 -7.409 1.00 0.00 C ATOM 990 CG PHE A 63 -2.798 6.779 -6.244 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.029 7.327 -5.925 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.304 5.748 -5.459 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.754 6.859 -4.848 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.026 5.274 -4.380 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.254 5.832 -4.074 1.00 0.00 C ATOM 0 H PHE A 63 -0.958 8.578 -9.254 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.665 9.342 -7.211 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.558 7.105 -8.330 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.066 6.762 -7.476 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.427 8.131 -6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.345 5.311 -5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.713 7.297 -4.611 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.632 4.469 -3.777 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.820 5.465 -3.231 1.00 0.00 H new ATOM 1005 N ILE A 64 0.442 8.919 -6.212 1.00 0.00 N ATOM 1006 CA ILE A 64 1.363 9.158 -5.105 1.00 0.00 C ATOM 1007 C ILE A 64 1.106 10.516 -4.459 1.00 0.00 C ATOM 1008 O ILE A 64 1.334 10.699 -3.263 1.00 0.00 O ATOM 1009 CB ILE A 64 2.829 9.088 -5.575 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.085 7.773 -6.318 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.782 9.232 -4.395 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.768 7.958 -7.653 1.00 0.00 C ATOM 0 H ILE A 64 0.892 8.619 -7.077 1.00 0.00 H new ATOM 0 HA ILE A 64 1.188 8.374 -4.368 1.00 0.00 H new ATOM 0 HB ILE A 64 3.012 9.916 -6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.698 7.125 -5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.135 7.261 -6.473 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.811 9.180 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.615 10.192 -3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.603 8.427 -3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.918 6.986 -8.123 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.146 8.580 -8.297 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.734 8.441 -7.504 1.00 0.00 H new ATOM 1024 N ASP A 65 0.625 11.463 -5.256 1.00 0.00 N ATOM 1025 CA ASP A 65 0.331 12.801 -4.758 1.00 0.00 C ATOM 1026 C ASP A 65 -0.959 12.802 -3.950 1.00 0.00 C ATOM 1027 O ASP A 65 -1.089 13.537 -2.974 1.00 0.00 O ATOM 1028 CB ASP A 65 0.227 13.793 -5.918 1.00 0.00 C ATOM 1029 CG ASP A 65 0.794 15.155 -5.568 1.00 0.00 C ATOM 1030 OD1 ASP A 65 0.376 15.723 -4.537 1.00 0.00 O ATOM 1031 OD2 ASP A 65 1.654 15.652 -6.323 1.00 0.00 O ATOM 0 H ASP A 65 0.431 11.329 -6.248 1.00 0.00 H new ATOM 0 HA ASP A 65 1.149 13.109 -4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.757 13.393 -6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.818 13.901 -6.207 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.909 11.966 -4.357 1.00 0.00 N ATOM 1037 CA PHE A 66 -3.186 11.864 -3.659 1.00 0.00 C ATOM 1038 C PHE A 66 -2.957 11.448 -2.210 1.00 0.00 C ATOM 1039 O PHE A 66 -3.505 12.048 -1.284 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.098 10.854 -4.364 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.322 10.481 -3.575 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -6.469 11.255 -3.644 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -5.324 9.358 -2.762 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -7.595 10.916 -2.919 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -6.448 9.014 -2.034 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.585 9.794 -2.113 1.00 0.00 C ATOM 0 H PHE A 66 -1.819 11.350 -5.165 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.673 12.839 -3.672 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.409 11.268 -5.323 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.526 9.951 -4.577 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.483 12.134 -4.272 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.437 8.745 -2.697 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.483 11.528 -2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.437 8.137 -1.404 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.465 9.527 -1.546 1.00 0.00 H new ATOM 1056 N ILE A 67 -2.133 10.422 -2.024 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.819 9.931 -0.690 1.00 0.00 C ATOM 1058 C ILE A 67 -1.208 11.045 0.157 1.00 0.00 C ATOM 1059 O ILE A 67 -1.569 11.223 1.320 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.850 8.728 -0.748 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.537 7.526 -1.401 1.00 0.00 C ATOM 1062 CG2 ILE A 67 -0.358 8.360 0.647 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.471 7.535 -2.912 1.00 0.00 C ATOM 0 H ILE A 67 -1.672 9.916 -2.780 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.751 9.600 -0.232 1.00 0.00 H new ATOM 0 HB ILE A 67 0.012 9.013 -1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.076 6.610 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.582 7.504 -1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.322 7.511 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.165 9.211 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.209 8.095 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.978 6.653 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.958 8.433 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.429 7.525 -3.231 1.00 0.00 H new ATOM 1075 N LYS A 68 -0.291 11.802 -0.436 1.00 0.00 N ATOM 1076 CA LYS A 68 0.353 12.903 0.268 1.00 0.00 C ATOM 1077 C LYS A 68 -0.579 14.109 0.351 1.00 0.00 C ATOM 1078 O LYS A 68 -0.431 14.961 1.227 1.00 0.00 O ATOM 1079 CB LYS A 68 1.657 13.293 -0.431 1.00 0.00 C ATOM 1080 CG LYS A 68 2.703 12.190 -0.425 1.00 0.00 C ATOM 1081 CD LYS A 68 3.866 12.524 0.495 1.00 0.00 C ATOM 1082 CE LYS A 68 5.188 12.044 -0.082 1.00 0.00 C ATOM 1083 NZ LYS A 68 6.335 12.367 0.812 1.00 0.00 N ATOM 0 H LYS A 68 0.021 11.674 -1.398 1.00 0.00 H new ATOM 0 HA LYS A 68 0.582 12.572 1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.438 13.569 -1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.070 14.177 0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.244 11.254 -0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.073 12.034 -1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.907 13.601 0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.704 12.063 1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.144 10.967 -0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.347 12.505 -1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.218 12.023 0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.393 13.397 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.197 11.907 1.734 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.543 14.171 -0.565 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.503 15.266 -0.592 1.00 0.00 C ATOM 1099 C GLU A 69 -3.370 15.243 0.660 1.00 0.00 C ATOM 1100 O GLU A 69 -3.767 16.287 1.176 1.00 0.00 O ATOM 1101 CB GLU A 69 -3.382 15.169 -1.837 1.00 0.00 C ATOM 1102 CG GLU A 69 -4.192 16.426 -2.111 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.822 16.423 -3.490 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -4.207 15.864 -4.423 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.932 16.978 -3.638 1.00 0.00 O ATOM 0 H GLU A 69 -1.678 13.474 -1.298 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.953 16.207 -0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.752 14.958 -2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.063 14.325 -1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.974 16.521 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.547 17.299 -2.012 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.656 14.039 1.142 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.473 13.864 2.337 1.00 0.00 C ATOM 1114 C ASN A 70 -3.786 12.931 3.334 1.00 0.00 C ATOM 1115 O ASN A 70 -4.428 12.382 4.228 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.853 13.306 1.969 1.00 0.00 C ATOM 1117 CG ASN A 70 -6.307 13.732 0.586 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.653 13.198 -0.441 1.00 0.00 O flip ATOM 1119 ND2 ASN A 70 -7.234 14.529 0.441 1.00 0.00 N flip ATOM 0 H ASN A 70 -3.333 13.167 0.722 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.599 14.841 2.803 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.825 12.217 2.018 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.584 13.640 2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.708 14.914 1.258 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.528 14.804 -0.496 1.00 0.00 H new ATOM 1126 N SER A 71 -2.477 12.752 3.171 1.00 0.00 N ATOM 1127 CA SER A 71 -1.707 11.883 4.053 1.00 0.00 C ATOM 1128 C SER A 71 -0.208 12.050 3.804 1.00 0.00 C ATOM 1129 O SER A 71 0.425 11.201 3.176 1.00 0.00 O ATOM 1130 CB SER A 71 -2.114 10.425 3.839 1.00 0.00 C ATOM 1131 OG SER A 71 -2.132 9.714 5.066 1.00 0.00 O ATOM 0 H SER A 71 -1.929 13.198 2.436 1.00 0.00 H new ATOM 0 HA SER A 71 -1.919 12.165 5.084 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.100 10.384 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.418 9.948 3.149 1.00 0.00 H new ATOM 0 HG SER A 71 -1.255 9.304 5.219 1.00 0.00 H new ATOM 1137 N PRO A 72 0.379 13.157 4.286 1.00 0.00 N ATOM 1138 CA PRO A 72 1.798 13.447 4.114 1.00 0.00 C ATOM 1139 C PRO A 72 2.670 12.772 5.169 1.00 0.00 C ATOM 1140 O PRO A 72 3.898 12.795 5.081 1.00 0.00 O ATOM 1141 CB PRO A 72 1.874 14.978 4.254 1.00 0.00 C ATOM 1142 CG PRO A 72 0.489 15.440 4.605 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.286 14.225 5.029 1.00 0.00 C ATOM 0 HA PRO A 72 2.171 13.073 3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.586 15.262 5.028 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.213 15.437 3.325 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.520 16.177 5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.015 15.921 3.749 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.234 14.065 6.106 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.342 14.305 4.769 1.00 0.00 H new ATOM 1151 N ASP A 73 2.029 12.175 6.164 1.00 0.00 N ATOM 1152 CA ASP A 73 2.746 11.494 7.238 1.00 0.00 C ATOM 1153 C ASP A 73 2.622 9.976 7.118 1.00 0.00 C ATOM 1154 O ASP A 73 2.946 9.243 8.053 1.00 0.00 O ATOM 1155 CB ASP A 73 2.220 11.951 8.595 1.00 0.00 C ATOM 1156 CG ASP A 73 3.280 11.892 9.677 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.422 12.324 9.412 1.00 0.00 O ATOM 1158 OD2 ASP A 73 2.969 11.413 10.787 1.00 0.00 O ATOM 0 H ASP A 73 1.013 12.147 6.252 1.00 0.00 H new ATOM 0 HA ASP A 73 3.801 11.756 7.151 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.847 12.972 8.512 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.375 11.325 8.883 1.00 0.00 H new ATOM 1163 N SER A 74 2.145 9.509 5.968 1.00 0.00 N ATOM 1164 CA SER A 74 1.970 8.086 5.728 1.00 0.00 C ATOM 1165 C SER A 74 3.171 7.505 4.978 1.00 0.00 C ATOM 1166 O SER A 74 4.246 8.104 4.959 1.00 0.00 O ATOM 1167 CB SER A 74 0.679 7.866 4.936 1.00 0.00 C ATOM 1168 OG SER A 74 0.182 9.088 4.425 1.00 0.00 O ATOM 0 H SER A 74 1.872 10.103 5.185 1.00 0.00 H new ATOM 0 HA SER A 74 1.900 7.569 6.685 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.866 7.174 4.115 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.071 7.404 5.578 1.00 0.00 H new ATOM 0 HG SER A 74 0.799 9.434 3.746 1.00 0.00 H new ATOM 1174 N VAL A 75 2.980 6.348 4.344 1.00 0.00 N ATOM 1175 CA VAL A 75 4.048 5.716 3.582 1.00 0.00 C ATOM 1176 C VAL A 75 3.501 4.928 2.409 1.00 0.00 C ATOM 1177 O VAL A 75 2.531 4.197 2.543 1.00 0.00 O ATOM 1178 CB VAL A 75 4.903 4.769 4.432 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.082 4.284 3.600 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.367 5.460 5.702 1.00 0.00 C ATOM 0 H VAL A 75 2.099 5.834 4.345 1.00 0.00 H new ATOM 0 HA VAL A 75 4.673 6.536 3.228 1.00 0.00 H new ATOM 0 HB VAL A 75 4.307 3.908 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.696 3.610 4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.714 3.756 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.682 5.138 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.972 4.771 6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.962 6.335 5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.500 5.770 6.285 1.00 0.00 H new ATOM 1190 N VAL A 76 4.121 5.097 1.256 1.00 0.00 N ATOM 1191 CA VAL A 76 3.678 4.409 0.048 1.00 0.00 C ATOM 1192 C VAL A 76 4.727 3.423 -0.452 1.00 0.00 C ATOM 1193 O VAL A 76 5.779 3.820 -0.950 1.00 0.00 O ATOM 1194 CB VAL A 76 3.345 5.409 -1.074 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.722 4.694 -2.262 1.00 0.00 C ATOM 1196 CG2 VAL A 76 2.423 6.504 -0.559 1.00 0.00 C ATOM 0 H VAL A 76 4.932 5.702 1.126 1.00 0.00 H new ATOM 0 HA VAL A 76 2.776 3.858 0.314 1.00 0.00 H new ATOM 0 HB VAL A 76 4.273 5.874 -1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.494 5.418 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.421 3.952 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.803 4.198 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.199 7.201 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.496 6.059 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.912 7.038 0.256 1.00 0.00 H new ATOM 1206 N ILE A 77 4.427 2.134 -0.322 1.00 0.00 N ATOM 1207 CA ILE A 77 5.342 1.089 -0.766 1.00 0.00 C ATOM 1208 C ILE A 77 5.068 0.704 -2.217 1.00 0.00 C ATOM 1209 O ILE A 77 5.979 0.674 -3.044 1.00 0.00 O ATOM 1210 CB ILE A 77 5.234 -0.167 0.121 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.396 0.209 1.596 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.278 -1.198 -0.286 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.772 0.743 1.936 1.00 0.00 C ATOM 0 H ILE A 77 3.558 1.789 0.087 1.00 0.00 H new ATOM 0 HA ILE A 77 6.351 1.492 -0.684 1.00 0.00 H new ATOM 0 HB ILE A 77 4.246 -0.607 -0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.649 0.960 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.193 -0.668 2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.188 -2.078 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.120 -1.484 -1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.274 -0.770 -0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.815 0.989 2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.523 -0.014 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.970 1.639 1.348 1.00 0.00 H new ATOM 1225 N VAL A 78 3.805 0.411 -2.520 1.00 0.00 N ATOM 1226 CA VAL A 78 3.411 0.030 -3.873 1.00 0.00 C ATOM 1227 C VAL A 78 4.247 -1.141 -4.381 1.00 0.00 C ATOM 1228 O VAL A 78 5.362 -0.955 -4.867 1.00 0.00 O ATOM 1229 CB VAL A 78 3.548 1.211 -4.854 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.991 0.839 -6.220 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.847 2.444 -4.303 1.00 0.00 C ATOM 0 H VAL A 78 3.039 0.430 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 78 2.364 -0.270 -3.824 1.00 0.00 H new ATOM 0 HB VAL A 78 4.607 1.443 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.097 1.685 -6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.540 -0.015 -6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.937 0.580 -6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.953 3.269 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.789 2.226 -4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.296 2.722 -3.349 1.00 0.00 H new ATOM 1241 N ILE A 79 3.698 -2.344 -4.263 1.00 0.00 N ATOM 1242 CA ILE A 79 4.390 -3.547 -4.708 1.00 0.00 C ATOM 1243 C ILE A 79 3.822 -4.022 -6.046 1.00 0.00 C ATOM 1244 O ILE A 79 3.040 -3.312 -6.679 1.00 0.00 O ATOM 1245 CB ILE A 79 4.279 -4.688 -3.667 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.160 -4.118 -2.253 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.485 -5.614 -3.759 1.00 0.00 C ATOM 1248 CD1 ILE A 79 3.838 -5.164 -1.207 1.00 0.00 C ATOM 0 H ILE A 79 2.775 -2.512 -3.863 1.00 0.00 H new ATOM 0 HA ILE A 79 5.443 -3.292 -4.826 1.00 0.00 H new ATOM 0 HB ILE A 79 3.379 -5.263 -3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.096 -3.626 -1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.384 -3.353 -2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.390 -6.410 -3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.534 -6.049 -4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.395 -5.046 -3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.768 -4.690 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.887 -5.639 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.626 -5.917 -1.190 1.00 0.00 H new ATOM 1260 N THR A 80 4.216 -5.219 -6.477 1.00 0.00 N ATOM 1261 CA THR A 80 3.741 -5.776 -7.741 1.00 0.00 C ATOM 1262 C THR A 80 4.421 -5.095 -8.925 1.00 0.00 C ATOM 1263 O THR A 80 4.225 -3.904 -9.165 1.00 0.00 O ATOM 1264 CB THR A 80 2.220 -5.633 -7.857 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.597 -5.886 -6.611 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.608 -6.571 -8.876 1.00 0.00 C ATOM 0 H THR A 80 4.863 -5.822 -5.969 1.00 0.00 H new ATOM 0 HA THR A 80 3.996 -6.836 -7.757 1.00 0.00 H new ATOM 0 HB THR A 80 2.049 -4.607 -8.182 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.973 -6.636 -6.704 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.529 -6.419 -8.909 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.033 -6.368 -9.859 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.821 -7.602 -8.595 1.00 0.00 H new ATOM 1317 N VAL A 85 9.934 -2.905 -14.910 1.00 0.00 N ATOM 1318 CA VAL A 85 10.794 -2.217 -13.954 1.00 0.00 C ATOM 1319 C VAL A 85 10.827 -0.711 -14.213 1.00 0.00 C ATOM 1320 O VAL A 85 11.625 0.011 -13.614 1.00 0.00 O ATOM 1321 CB VAL A 85 12.233 -2.765 -13.999 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.256 -4.236 -13.610 1.00 0.00 C ATOM 1323 CG2 VAL A 85 12.844 -2.559 -15.379 1.00 0.00 C ATOM 0 HA VAL A 85 10.371 -2.399 -12.966 1.00 0.00 H new ATOM 0 HB VAL A 85 12.835 -2.212 -13.277 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.281 -4.606 -13.647 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.865 -4.351 -12.599 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.639 -4.806 -14.305 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.860 -2.953 -15.389 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.244 -3.082 -16.124 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.865 -1.494 -15.612 1.00 0.00 H new ATOM 1333 N ASP A 86 9.958 -0.239 -15.104 1.00 0.00 N ATOM 1334 CA ASP A 86 9.895 1.181 -15.430 1.00 0.00 C ATOM 1335 C ASP A 86 8.698 1.853 -14.758 1.00 0.00 C ATOM 1336 O ASP A 86 8.517 3.065 -14.870 1.00 0.00 O ATOM 1337 CB ASP A 86 9.819 1.373 -16.944 1.00 0.00 C ATOM 1338 CG ASP A 86 11.002 0.757 -17.665 1.00 0.00 C ATOM 1339 OD1 ASP A 86 10.951 -0.457 -17.959 1.00 0.00 O ATOM 1340 OD2 ASP A 86 11.979 1.486 -17.936 1.00 0.00 O ATOM 0 H ASP A 86 9.290 -0.819 -15.611 1.00 0.00 H new ATOM 0 HA ASP A 86 10.803 1.651 -15.053 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.897 0.928 -17.318 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.773 2.438 -17.171 1.00 0.00 H new ATOM 1345 N THR A 87 7.898 1.069 -14.036 1.00 0.00 N ATOM 1346 CA THR A 87 6.746 1.609 -13.326 1.00 0.00 C ATOM 1347 C THR A 87 7.161 2.011 -11.920 1.00 0.00 C ATOM 1348 O THR A 87 6.709 3.023 -11.385 1.00 0.00 O ATOM 1349 CB THR A 87 5.598 0.589 -13.289 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.346 1.248 -13.253 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.647 -0.358 -12.102 1.00 0.00 C ATOM 0 H THR A 87 8.028 0.063 -13.929 1.00 0.00 H new ATOM 0 HA THR A 87 6.384 2.491 -13.855 1.00 0.00 H new ATOM 0 HB THR A 87 5.720 0.001 -14.198 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.627 0.583 -13.232 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.803 -1.046 -12.150 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.578 -0.924 -12.127 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.596 0.216 -11.177 1.00 0.00 H new ATOM 1359 N ALA A 88 8.047 1.210 -11.341 1.00 0.00 N ATOM 1360 CA ALA A 88 8.560 1.469 -10.007 1.00 0.00 C ATOM 1361 C ALA A 88 9.229 2.831 -9.959 1.00 0.00 C ATOM 1362 O ALA A 88 8.858 3.695 -9.170 1.00 0.00 O ATOM 1363 CB ALA A 88 9.553 0.388 -9.616 1.00 0.00 C ATOM 0 H ALA A 88 8.426 0.371 -11.780 1.00 0.00 H new ATOM 0 HA ALA A 88 7.729 1.461 -9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.934 0.589 -8.615 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.058 -0.583 -9.628 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.381 0.381 -10.324 1.00 0.00 H new ATOM 1369 N VAL A 89 10.220 3.006 -10.820 1.00 0.00 N ATOM 1370 CA VAL A 89 10.956 4.256 -10.898 1.00 0.00 C ATOM 1371 C VAL A 89 10.027 5.429 -11.202 1.00 0.00 C ATOM 1372 O VAL A 89 10.294 6.562 -10.801 1.00 0.00 O ATOM 1373 CB VAL A 89 12.056 4.186 -11.976 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.990 3.016 -11.704 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.445 4.073 -13.366 1.00 0.00 C ATOM 0 H VAL A 89 10.534 2.292 -11.478 1.00 0.00 H new ATOM 0 HA VAL A 89 11.419 4.415 -9.924 1.00 0.00 H new ATOM 0 HB VAL A 89 12.635 5.108 -11.936 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.761 2.980 -12.473 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.457 3.143 -10.727 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.421 2.086 -11.716 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.240 4.025 -14.110 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.838 3.169 -13.424 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.819 4.944 -13.560 1.00 0.00 H new ATOM 1385 N LYS A 90 8.935 5.152 -11.912 1.00 0.00 N ATOM 1386 CA LYS A 90 7.976 6.193 -12.266 1.00 0.00 C ATOM 1387 C LYS A 90 7.092 6.564 -11.076 1.00 0.00 C ATOM 1388 O LYS A 90 6.418 7.593 -11.095 1.00 0.00 O ATOM 1389 CB LYS A 90 7.104 5.734 -13.434 1.00 0.00 C ATOM 1390 CG LYS A 90 6.153 6.808 -13.938 1.00 0.00 C ATOM 1391 CD LYS A 90 5.450 6.377 -15.215 1.00 0.00 C ATOM 1392 CE LYS A 90 6.306 6.647 -16.442 1.00 0.00 C ATOM 1393 NZ LYS A 90 7.424 5.671 -16.566 1.00 0.00 N ATOM 0 H LYS A 90 8.694 4.221 -12.251 1.00 0.00 H new ATOM 0 HA LYS A 90 8.540 7.078 -12.561 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.747 5.415 -14.254 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.526 4.863 -13.125 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.411 7.028 -13.170 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.707 7.729 -14.120 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.215 5.314 -15.161 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.503 6.908 -15.307 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.684 6.601 -17.336 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.711 7.657 -16.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.633 5.509 -17.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.269 6.049 -16.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.151 4.772 -16.120 1.00 0.00 H new ATOM 1407 N ALA A 91 7.094 5.724 -10.045 1.00 0.00 N ATOM 1408 CA ALA A 91 6.285 5.973 -8.858 1.00 0.00 C ATOM 1409 C ALA A 91 7.155 6.263 -7.638 1.00 0.00 C ATOM 1410 O ALA A 91 6.880 7.189 -6.874 1.00 0.00 O ATOM 1411 CB ALA A 91 5.372 4.786 -8.586 1.00 0.00 C ATOM 0 H ALA A 91 7.646 4.867 -10.008 1.00 0.00 H new ATOM 0 HA ALA A 91 5.675 6.856 -9.048 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.773 4.984 -7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.713 4.630 -9.440 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.975 3.892 -8.425 1.00 0.00 H new ATOM 1417 N ILE A 92 8.201 5.465 -7.457 1.00 0.00 N ATOM 1418 CA ILE A 92 9.105 5.633 -6.324 1.00 0.00 C ATOM 1419 C ILE A 92 9.896 6.934 -6.442 1.00 0.00 C ATOM 1420 O ILE A 92 9.867 7.598 -7.478 1.00 0.00 O ATOM 1421 CB ILE A 92 10.082 4.435 -6.189 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.306 4.612 -7.097 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.371 3.125 -6.508 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.240 3.420 -7.097 1.00 0.00 C ATOM 0 H ILE A 92 8.445 4.695 -8.080 1.00 0.00 H new ATOM 0 HA ILE A 92 8.487 5.674 -5.427 1.00 0.00 H new ATOM 0 HB ILE A 92 10.429 4.402 -5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.968 4.797 -8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.859 5.496 -6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.072 2.297 -6.408 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.541 2.983 -5.816 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.990 3.157 -7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.082 3.617 -7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.608 3.246 -6.086 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.703 2.537 -7.444 1.00 0.00 H new ATOM 1436 N LYS A 93 10.595 7.295 -5.368 1.00 0.00 N ATOM 1437 CA LYS A 93 11.398 8.519 -5.330 1.00 0.00 C ATOM 1438 C LYS A 93 10.510 9.758 -5.206 1.00 0.00 C ATOM 1439 O LYS A 93 10.797 10.659 -4.419 1.00 0.00 O ATOM 1440 CB LYS A 93 12.298 8.628 -6.567 1.00 0.00 C ATOM 1441 CG LYS A 93 13.773 8.413 -6.263 1.00 0.00 C ATOM 1442 CD LYS A 93 14.658 9.337 -7.084 1.00 0.00 C ATOM 1443 CE LYS A 93 16.117 8.918 -7.012 1.00 0.00 C ATOM 1444 NZ LYS A 93 16.514 8.081 -8.178 1.00 0.00 N ATOM 0 H LYS A 93 10.622 6.753 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 93 12.035 8.466 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.977 7.895 -7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.167 9.612 -7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.954 8.584 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.039 7.376 -6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.327 9.331 -8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.554 10.360 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.748 9.806 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.290 8.362 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.516 7.817 -8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.930 7.221 -8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.374 8.620 -9.056 1.00 0.00 H new ATOM 1458 N LYS A 94 9.428 9.793 -5.979 1.00 0.00 N ATOM 1459 CA LYS A 94 8.500 10.917 -5.943 1.00 0.00 C ATOM 1460 C LYS A 94 7.807 11.014 -4.585 1.00 0.00 C ATOM 1461 O LYS A 94 7.223 12.043 -4.248 1.00 0.00 O ATOM 1462 CB LYS A 94 7.459 10.779 -7.052 1.00 0.00 C ATOM 1463 CG LYS A 94 7.426 11.962 -8.006 1.00 0.00 C ATOM 1464 CD LYS A 94 7.314 11.512 -9.453 1.00 0.00 C ATOM 1465 CE LYS A 94 8.675 11.166 -10.039 1.00 0.00 C ATOM 1466 NZ LYS A 94 8.985 11.986 -11.243 1.00 0.00 N ATOM 0 H LYS A 94 9.173 9.056 -6.637 1.00 0.00 H new ATOM 0 HA LYS A 94 9.072 11.831 -6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.663 9.871 -7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.474 10.659 -6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.582 12.606 -7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.330 12.558 -7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.659 10.643 -9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.852 12.302 -10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.446 11.323 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.698 10.109 -10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.920 11.720 -11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.264 11.817 -11.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.988 12.994 -10.985 1.00 0.00 H new ATOM 1480 N GLY A 95 7.874 9.932 -3.813 1.00 0.00 N ATOM 1481 CA GLY A 95 7.249 9.912 -2.505 1.00 0.00 C ATOM 1482 C GLY A 95 7.166 8.513 -1.930 1.00 0.00 C ATOM 1483 O GLY A 95 7.188 8.331 -0.713 1.00 0.00 O ATOM 0 H GLY A 95 8.351 9.069 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.814 10.549 -1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.246 10.333 -2.577 1.00 0.00 H new ATOM 1487 N ALA A 96 7.070 7.520 -2.810 1.00 0.00 N ATOM 1488 CA ALA A 96 6.984 6.128 -2.386 1.00 0.00 C ATOM 1489 C ALA A 96 8.209 5.725 -1.573 1.00 0.00 C ATOM 1490 O ALA A 96 9.100 6.537 -1.325 1.00 0.00 O ATOM 1491 CB ALA A 96 6.821 5.216 -3.593 1.00 0.00 C ATOM 0 H ALA A 96 7.050 7.655 -3.821 1.00 0.00 H new ATOM 0 HA ALA A 96 6.107 6.022 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.758 4.180 -3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.909 5.481 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.678 5.333 -4.256 1.00 0.00 H new ATOM 1497 N TYR A 97 8.243 4.463 -1.159 1.00 0.00 N ATOM 1498 CA TYR A 97 9.353 3.943 -0.370 1.00 0.00 C ATOM 1499 C TYR A 97 10.104 2.857 -1.136 1.00 0.00 C ATOM 1500 O TYR A 97 10.712 1.968 -0.543 1.00 0.00 O ATOM 1501 CB TYR A 97 8.830 3.398 0.958 1.00 0.00 C ATOM 1502 CG TYR A 97 9.908 2.854 1.869 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.781 3.708 2.531 1.00 0.00 C ATOM 1504 CD2 TYR A 97 10.049 1.487 2.069 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.766 3.214 3.366 1.00 0.00 C ATOM 1506 CE2 TYR A 97 11.031 0.985 2.902 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.886 1.853 3.548 1.00 0.00 C ATOM 1508 OH TYR A 97 12.865 1.357 4.379 1.00 0.00 O ATOM 0 H TYR A 97 7.512 3.780 -1.358 1.00 0.00 H new ATOM 0 HA TYR A 97 10.052 4.756 -0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.295 4.192 1.479 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.108 2.607 0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.689 4.775 2.391 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.380 0.805 1.565 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.438 3.891 3.873 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.128 -0.081 3.046 1.00 0.00 H new ATOM 0 HH TYR A 97 12.813 0.379 4.398 1.00 0.00 H new ATOM 1518 N GLU A 98 10.050 2.955 -2.462 1.00 0.00 N ATOM 1519 CA GLU A 98 10.716 2.008 -3.364 1.00 0.00 C ATOM 1520 C GLU A 98 9.830 0.797 -3.653 1.00 0.00 C ATOM 1521 O GLU A 98 8.924 0.475 -2.884 1.00 0.00 O ATOM 1522 CB GLU A 98 12.082 1.565 -2.806 1.00 0.00 C ATOM 1523 CG GLU A 98 12.063 0.241 -2.050 1.00 0.00 C ATOM 1524 CD GLU A 98 13.072 0.201 -0.918 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.439 1.283 -0.412 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.496 -0.911 -0.539 1.00 0.00 O ATOM 0 H GLU A 98 9.542 3.695 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 98 10.892 2.528 -4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.788 1.486 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.457 2.343 -2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.064 0.071 -1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.270 -0.573 -2.745 1.00 0.00 H new ATOM 1533 N PHE A 99 10.104 0.133 -4.773 1.00 0.00 N ATOM 1534 CA PHE A 99 9.339 -1.041 -5.180 1.00 0.00 C ATOM 1535 C PHE A 99 9.898 -2.307 -4.540 1.00 0.00 C ATOM 1536 O PHE A 99 10.896 -2.860 -5.004 1.00 0.00 O ATOM 1537 CB PHE A 99 9.358 -1.179 -6.703 1.00 0.00 C ATOM 1538 CG PHE A 99 8.028 -0.924 -7.352 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.342 0.258 -7.122 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.466 -1.866 -8.200 1.00 0.00 C ATOM 1541 CE1 PHE A 99 6.120 0.496 -7.724 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.246 -1.634 -8.804 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.572 -0.453 -8.566 1.00 0.00 C ATOM 0 H PHE A 99 10.853 0.390 -5.416 1.00 0.00 H new ATOM 0 HA PHE A 99 8.311 -0.909 -4.842 1.00 0.00 H new ATOM 0 HB2 PHE A 99 10.091 -0.483 -7.112 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.692 -2.183 -6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.767 1.002 -6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.988 -2.792 -8.390 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.595 1.421 -7.537 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.819 -2.376 -9.462 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.617 -0.271 -9.037 1.00 0.00 H new ATOM 1553 N LEU A 100 9.250 -2.761 -3.476 1.00 0.00 N ATOM 1554 CA LEU A 100 9.673 -3.957 -2.773 1.00 0.00 C ATOM 1555 C LEU A 100 9.409 -5.206 -3.610 1.00 0.00 C ATOM 1556 O LEU A 100 8.312 -5.390 -4.137 1.00 0.00 O ATOM 1557 CB LEU A 100 8.929 -4.044 -1.446 1.00 0.00 C ATOM 1558 CG LEU A 100 9.125 -5.341 -0.673 1.00 0.00 C ATOM 1559 CD1 LEU A 100 10.601 -5.580 -0.405 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.339 -5.292 0.624 1.00 0.00 C ATOM 0 H LEU A 100 8.423 -2.313 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 100 10.746 -3.900 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.246 -3.213 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.864 -3.911 -1.636 1.00 0.00 H new ATOM 0 HG LEU A 100 8.753 -6.172 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.724 -6.511 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.137 -5.647 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.003 -4.754 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.483 -6.223 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.688 -4.456 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.280 -5.162 0.403 1.00 0.00 H new ATOM 1572 N GLU A 101 10.417 -6.064 -3.722 1.00 0.00 N ATOM 1573 CA GLU A 101 10.284 -7.298 -4.489 1.00 0.00 C ATOM 1574 C GLU A 101 9.259 -8.222 -3.835 1.00 0.00 C ATOM 1575 O GLU A 101 8.543 -7.813 -2.921 1.00 0.00 O ATOM 1576 CB GLU A 101 11.639 -8.001 -4.600 1.00 0.00 C ATOM 1577 CG GLU A 101 12.715 -7.150 -5.255 1.00 0.00 C ATOM 1578 CD GLU A 101 13.001 -7.572 -6.684 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.304 -7.085 -7.598 1.00 0.00 O ATOM 1580 OE2 GLU A 101 13.923 -8.390 -6.888 1.00 0.00 O ATOM 0 H GLU A 101 11.333 -5.929 -3.293 1.00 0.00 H new ATOM 0 HA GLU A 101 9.937 -7.049 -5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.972 -8.289 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.516 -8.920 -5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.404 -6.105 -5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.632 -7.216 -4.670 1.00 0.00 H new ATOM 1654 N VAL A 106 4.900 -12.887 0.540 1.00 0.00 N ATOM 1655 CA VAL A 106 4.753 -11.643 1.289 1.00 0.00 C ATOM 1656 C VAL A 106 5.559 -11.672 2.586 1.00 0.00 C ATOM 1657 O VAL A 106 5.854 -10.625 3.162 1.00 0.00 O ATOM 1658 CB VAL A 106 3.273 -11.364 1.616 1.00 0.00 C ATOM 1659 CG1 VAL A 106 2.687 -12.491 2.453 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.122 -10.027 2.326 1.00 0.00 C ATOM 0 HA VAL A 106 5.137 -10.844 0.655 1.00 0.00 H new ATOM 0 HB VAL A 106 2.719 -11.314 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.642 -12.275 2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.755 -13.428 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.244 -12.579 3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.070 -9.850 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.691 -10.042 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.497 -9.230 1.684 1.00 0.00 H new ATOM 1670 N GLU A 107 5.913 -12.872 3.044 1.00 0.00 N ATOM 1671 CA GLU A 107 6.681 -13.027 4.268 1.00 0.00 C ATOM 1672 C GLU A 107 7.852 -12.050 4.310 1.00 0.00 C ATOM 1673 O GLU A 107 8.215 -11.544 5.373 1.00 0.00 O ATOM 1674 CB GLU A 107 7.189 -14.460 4.378 1.00 0.00 C ATOM 1675 CG GLU A 107 7.891 -14.743 5.687 1.00 0.00 C ATOM 1676 CD GLU A 107 8.361 -16.179 5.804 1.00 0.00 C ATOM 1677 OE1 GLU A 107 9.448 -16.495 5.274 1.00 0.00 O ATOM 1678 OE2 GLU A 107 7.642 -16.990 6.425 1.00 0.00 O ATOM 0 H GLU A 107 5.677 -13.750 2.581 1.00 0.00 H new ATOM 0 HA GLU A 107 6.029 -12.807 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.349 -15.146 4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.875 -14.660 3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.748 -14.076 5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.215 -14.519 6.512 1.00 0.00 H new ATOM 1685 N ARG A 108 8.431 -11.778 3.144 1.00 0.00 N ATOM 1686 CA ARG A 108 9.549 -10.849 3.048 1.00 0.00 C ATOM 1687 C ARG A 108 9.054 -9.415 3.193 1.00 0.00 C ATOM 1688 O ARG A 108 9.699 -8.583 3.831 1.00 0.00 O ATOM 1689 CB ARG A 108 10.278 -11.022 1.715 1.00 0.00 C ATOM 1690 CG ARG A 108 11.625 -10.318 1.663 1.00 0.00 C ATOM 1691 CD ARG A 108 11.520 -8.959 0.986 1.00 0.00 C ATOM 1692 NE ARG A 108 12.312 -8.895 -0.239 1.00 0.00 N ATOM 1693 CZ ARG A 108 13.644 -8.919 -0.264 1.00 0.00 C ATOM 1694 NH1 ARG A 108 14.334 -9.011 0.866 1.00 0.00 N ATOM 1695 NH2 ARG A 108 14.286 -8.854 -1.422 1.00 0.00 N ATOM 0 H ARG A 108 8.144 -12.188 2.255 1.00 0.00 H new ATOM 0 HA ARG A 108 10.248 -11.065 3.856 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.425 -12.085 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.647 -10.640 0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.010 -10.192 2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.341 -10.939 1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 108 10.476 -8.749 0.754 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.855 -8.184 1.675 1.00 0.00 H new ATOM 0 HE ARG A 108 11.816 -8.828 -1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.845 -9.064 1.759 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.354 -9.029 0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.760 -8.786 -2.293 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.306 -8.872 -1.442 1.00 0.00 H new ATOM 1709 N PHE A 109 7.894 -9.136 2.601 1.00 0.00 N ATOM 1710 CA PHE A 109 7.296 -7.808 2.669 1.00 0.00 C ATOM 1711 C PHE A 109 7.124 -7.375 4.124 1.00 0.00 C ATOM 1712 O PHE A 109 7.156 -6.184 4.437 1.00 0.00 O ATOM 1713 CB PHE A 109 5.945 -7.797 1.940 1.00 0.00 C ATOM 1714 CG PHE A 109 5.028 -6.679 2.358 1.00 0.00 C ATOM 1715 CD1 PHE A 109 4.196 -6.824 3.456 1.00 0.00 C ATOM 1716 CD2 PHE A 109 5.003 -5.484 1.656 1.00 0.00 C ATOM 1717 CE1 PHE A 109 3.355 -5.801 3.846 1.00 0.00 C ATOM 1718 CE2 PHE A 109 4.163 -4.456 2.041 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.338 -4.614 3.139 1.00 0.00 C ATOM 0 H PHE A 109 7.350 -9.815 2.068 1.00 0.00 H new ATOM 0 HA PHE A 109 7.962 -7.099 2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.124 -7.723 0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.443 -8.748 2.115 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.205 -7.749 4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.647 -5.355 0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.711 -5.928 4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.151 -3.530 1.485 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.682 -3.812 3.443 1.00 0.00 H new ATOM 1729 N LEU A 110 6.951 -8.354 5.009 1.00 0.00 N ATOM 1730 CA LEU A 110 6.783 -8.082 6.433 1.00 0.00 C ATOM 1731 C LEU A 110 7.844 -7.106 6.930 1.00 0.00 C ATOM 1732 O LEU A 110 7.563 -6.220 7.737 1.00 0.00 O ATOM 1733 CB LEU A 110 6.861 -9.381 7.226 1.00 0.00 C ATOM 1734 CG LEU A 110 5.746 -9.582 8.253 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.508 -11.063 8.501 1.00 0.00 C ATOM 1736 CD2 LEU A 110 6.089 -8.869 9.552 1.00 0.00 C ATOM 0 H LEU A 110 6.924 -9.344 4.764 1.00 0.00 H new ATOM 0 HA LEU A 110 5.803 -7.629 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.845 -10.217 6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.820 -9.416 7.743 1.00 0.00 H new ATOM 0 HG LEU A 110 4.827 -9.152 7.855 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.711 -11.186 9.235 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.220 -11.546 7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.422 -11.520 8.879 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.286 -9.021 10.273 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.019 -9.272 9.954 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.208 -7.802 9.361 1.00 0.00 H new ATOM 1748 N LEU A 111 9.065 -7.280 6.435 1.00 0.00 N ATOM 1749 CA LEU A 111 10.176 -6.418 6.819 1.00 0.00 C ATOM 1750 C LEU A 111 9.866 -4.959 6.503 1.00 0.00 C ATOM 1751 O LEU A 111 9.879 -4.107 7.391 1.00 0.00 O ATOM 1752 CB LEU A 111 11.452 -6.853 6.103 1.00 0.00 C ATOM 1753 CG LEU A 111 12.117 -8.106 6.674 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.146 -9.276 6.672 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.371 -8.451 5.884 1.00 0.00 C ATOM 0 H LEU A 111 9.310 -8.011 5.767 1.00 0.00 H new ATOM 0 HA LEU A 111 10.324 -6.510 7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.219 -7.030 5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.168 -6.032 6.137 1.00 0.00 H new ATOM 0 HG LEU A 111 12.405 -7.902 7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.638 -10.158 7.082 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.277 -9.029 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 111 10.826 -9.481 5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.831 -9.345 6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.106 -8.634 4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 111 14.075 -7.621 5.938 1.00 0.00 H new ATOM 1767 N THR A 112 9.588 -4.678 5.230 1.00 0.00 N ATOM 1768 CA THR A 112 9.273 -3.319 4.793 1.00 0.00 C ATOM 1769 C THR A 112 8.271 -2.656 5.738 1.00 0.00 C ATOM 1770 O THR A 112 8.432 -1.494 6.112 1.00 0.00 O ATOM 1771 CB THR A 112 8.721 -3.335 3.365 1.00 0.00 C ATOM 1772 OG1 THR A 112 9.710 -3.785 2.456 1.00 0.00 O ATOM 1773 CG2 THR A 112 8.243 -1.981 2.885 1.00 0.00 C ATOM 0 H THR A 112 9.575 -5.373 4.484 1.00 0.00 H new ATOM 0 HA THR A 112 10.194 -2.736 4.811 1.00 0.00 H new ATOM 0 HB THR A 112 7.866 -4.011 3.395 1.00 0.00 H new ATOM 0 HG1 THR A 112 9.772 -3.159 1.704 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.866 -2.069 1.866 1.00 0.00 H new ATOM 0 HG22 THR A 112 7.446 -1.624 3.538 1.00 0.00 H new ATOM 0 HG23 THR A 112 9.073 -1.274 2.905 1.00 0.00 H new ATOM 1781 N ILE A 113 7.244 -3.405 6.130 1.00 0.00 N ATOM 1782 CA ILE A 113 6.227 -2.889 7.043 1.00 0.00 C ATOM 1783 C ILE A 113 6.880 -2.332 8.307 1.00 0.00 C ATOM 1784 O ILE A 113 6.848 -1.128 8.559 1.00 0.00 O ATOM 1785 CB ILE A 113 5.212 -3.989 7.427 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.280 -4.282 6.250 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.407 -3.585 8.655 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.403 -3.109 5.866 1.00 0.00 C ATOM 0 H ILE A 113 7.094 -4.369 5.831 1.00 0.00 H new ATOM 0 HA ILE A 113 5.694 -2.089 6.528 1.00 0.00 H new ATOM 0 HB ILE A 113 5.767 -4.895 7.671 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.878 -4.575 5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.646 -5.132 6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.700 -4.377 8.903 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.082 -3.424 9.496 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.862 -2.665 8.446 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.769 -3.389 5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.778 -2.829 6.714 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.030 -2.264 5.582 1.00 0.00 H new ATOM 1800 N LYS A 114 7.484 -3.222 9.088 1.00 0.00 N ATOM 1801 CA LYS A 114 8.163 -2.829 10.320 1.00 0.00 C ATOM 1802 C LYS A 114 9.239 -1.777 10.041 1.00 0.00 C ATOM 1803 O LYS A 114 9.701 -1.094 10.954 1.00 0.00 O ATOM 1804 CB LYS A 114 8.790 -4.055 10.990 1.00 0.00 C ATOM 1805 CG LYS A 114 9.597 -3.725 12.237 1.00 0.00 C ATOM 1806 CD LYS A 114 11.075 -3.558 11.917 1.00 0.00 C ATOM 1807 CE LYS A 114 11.633 -2.265 12.495 1.00 0.00 C ATOM 1808 NZ LYS A 114 12.533 -2.517 13.654 1.00 0.00 N ATOM 0 H LYS A 114 7.518 -4.222 8.890 1.00 0.00 H new ATOM 0 HA LYS A 114 7.424 -2.393 10.992 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.000 -4.757 11.255 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.437 -4.559 10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 114 9.215 -2.808 12.687 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.471 -4.518 12.974 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.632 -4.406 12.317 1.00 0.00 H new ATOM 0 HD3 LYS A 114 11.216 -3.565 10.836 1.00 0.00 H new ATOM 0 HE2 LYS A 114 12.180 -1.728 11.721 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.810 -1.622 12.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.145 -1.690 13.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.962 -2.685 14.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 13.122 -3.352 13.461 1.00 0.00 H new ATOM 1822 N HIS A 115 9.619 -1.639 8.772 1.00 0.00 N ATOM 1823 CA HIS A 115 10.622 -0.660 8.374 1.00 0.00 C ATOM 1824 C HIS A 115 9.961 0.670 8.021 1.00 0.00 C ATOM 1825 O HIS A 115 10.576 1.730 8.131 1.00 0.00 O ATOM 1826 CB HIS A 115 11.427 -1.177 7.182 1.00 0.00 C ATOM 1827 CG HIS A 115 12.257 -2.382 7.497 1.00 0.00 C ATOM 1828 ND1 HIS A 115 12.668 -2.702 8.774 1.00 0.00 N ATOM 1829 CD2 HIS A 115 12.753 -3.352 6.691 1.00 0.00 C ATOM 1830 CE1 HIS A 115 13.383 -3.813 8.740 1.00 0.00 C ATOM 1831 NE2 HIS A 115 13.447 -4.227 7.488 1.00 0.00 N ATOM 0 H HIS A 115 9.245 -2.195 8.003 1.00 0.00 H new ATOM 0 HA HIS A 115 11.299 -0.502 9.214 1.00 0.00 H new ATOM 0 HB2 HIS A 115 10.742 -1.420 6.370 1.00 0.00 H new ATOM 0 HB3 HIS A 115 12.079 -0.381 6.822 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.626 -3.423 5.621 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.837 -4.299 9.591 1.00 0.00 H new ATOM 0 HE2 HIS A 115 13.934 -5.063 7.165 1.00 0.00 H new ATOM 1840 N ALA A 116 8.702 0.599 7.598 1.00 0.00 N ATOM 1841 CA ALA A 116 7.945 1.789 7.228 1.00 0.00 C ATOM 1842 C ALA A 116 7.456 2.533 8.466 1.00 0.00 C ATOM 1843 O ALA A 116 7.488 3.763 8.518 1.00 0.00 O ATOM 1844 CB ALA A 116 6.767 1.402 6.345 1.00 0.00 C ATOM 0 H ALA A 116 8.184 -0.274 7.503 1.00 0.00 H new ATOM 0 HA ALA A 116 8.604 2.456 6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.207 2.297 6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.134 0.915 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.115 0.717 6.887 1.00 0.00 H new ATOM 1850 N PHE A 117 7.002 1.777 9.461 1.00 0.00 N ATOM 1851 CA PHE A 117 6.504 2.360 10.703 1.00 0.00 C ATOM 1852 C PHE A 117 7.652 2.832 11.594 1.00 0.00 C ATOM 1853 O PHE A 117 7.453 3.641 12.499 1.00 0.00 O ATOM 1854 CB PHE A 117 5.645 1.344 11.458 1.00 0.00 C ATOM 1855 CG PHE A 117 4.273 1.162 10.873 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.383 2.222 10.813 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.872 -0.072 10.385 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.119 2.056 10.276 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.611 -0.245 9.848 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.733 0.820 9.794 1.00 0.00 C ATOM 0 H PHE A 117 6.969 0.758 9.432 1.00 0.00 H new ATOM 0 HA PHE A 117 5.895 3.226 10.444 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.158 0.382 11.466 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.549 1.662 12.496 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.680 3.190 11.190 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.554 -0.909 10.425 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.435 2.891 10.234 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.312 -1.212 9.471 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.746 0.687 9.376 1.00 0.00 H new ATOM 1870 N GLU A 118 8.853 2.319 11.337 1.00 0.00 N ATOM 1871 CA GLU A 118 10.028 2.689 12.120 1.00 0.00 C ATOM 1872 C GLU A 118 10.489 4.113 11.809 1.00 0.00 C ATOM 1873 O GLU A 118 11.389 4.635 12.466 1.00 0.00 O ATOM 1874 CB GLU A 118 11.166 1.707 11.857 1.00 0.00 C ATOM 1875 CG GLU A 118 12.055 1.471 13.066 1.00 0.00 C ATOM 1876 CD GLU A 118 13.513 1.289 12.690 1.00 0.00 C ATOM 1877 OE1 GLU A 118 14.116 2.250 12.166 1.00 0.00 O ATOM 1878 OE2 GLU A 118 14.052 0.186 12.919 1.00 0.00 O ATOM 0 H GLU A 118 9.037 1.646 10.593 1.00 0.00 H new ATOM 0 HA GLU A 118 9.748 2.649 13.173 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.746 0.755 11.534 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.776 2.082 11.035 1.00 0.00 H new ATOM 0 HG2 GLU A 118 11.963 2.314 13.751 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.708 0.587 13.601 1.00 0.00 H new