USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 GLN : amide:sc= -2.5 K(o=-2.5,f=-8.4!) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 TYR OH : rot -72:sc= -3.64! USER MOD Set 2.2: A 81 THR OG1 : rot 95:sc= 1.21 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -148:sc= -1.37 (180deg=-2.63!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0142 X(o=-0.014,f=-0.024) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-3.2!) USER MOD Single : A 38 SER OG : rot -50:sc= 1.17 USER MOD Single : A 47 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.4!) USER MOD Single : A 53 THR OG1 : rot -68:sc= 0.585 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -119:sc= -7.89! USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.94) USER MOD Single : A 70 THR OG1 : rot -45:sc= 1.02 USER MOD Single : A 72 SER OG : rot 180:sc= 0.421 USER MOD Single : A 77 SER OG : rot -109:sc= 1.19 USER MOD Single : A 80 ASN : amide:sc= -1.36 K(o=-1.4,f=-2) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 68:sc= -3.5! USER MOD Single : A 89 HIS :FLIP no HD1:sc= -6.56! C(o=-7.8!,f=-6.6!) USER MOD Single : A 90 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.3) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -137:sc= 0.175 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N SER A 6 -5.708 6.568 -3.130 1.00 0.00 N ATOM 95 CA SER A 6 -5.767 6.300 -4.557 1.00 0.00 C ATOM 96 C SER A 6 -5.131 4.943 -4.862 1.00 0.00 C ATOM 97 O SER A 6 -4.632 4.720 -5.964 1.00 0.00 O ATOM 98 CB SER A 6 -5.068 7.405 -5.354 1.00 0.00 C ATOM 99 OG SER A 6 -5.991 8.180 -6.113 1.00 0.00 O ATOM 0 HA SER A 6 -6.814 6.278 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.524 8.056 -4.670 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.332 6.959 -6.023 1.00 0.00 H new ATOM 0 HG SER A 6 -5.507 8.875 -6.606 1.00 0.00 H new ATOM 105 N VAL A 7 -5.168 4.071 -3.865 1.00 0.00 N ATOM 106 CA VAL A 7 -4.602 2.741 -4.012 1.00 0.00 C ATOM 107 C VAL A 7 -5.733 1.725 -4.182 1.00 0.00 C ATOM 108 O VAL A 7 -5.909 1.162 -5.261 1.00 0.00 O ATOM 109 CB VAL A 7 -3.689 2.426 -2.824 1.00 0.00 C ATOM 110 CG1 VAL A 7 -2.675 1.340 -3.185 1.00 0.00 C ATOM 111 CG2 VAL A 7 -2.985 3.690 -2.325 1.00 0.00 C ATOM 0 H VAL A 7 -5.581 4.260 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.981 2.688 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.311 2.046 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.039 1.135 -2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.203 0.430 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.059 1.679 -4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.342 3.439 -1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.381 4.111 -3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.730 4.421 -2.010 1.00 0.00 H new ATOM 121 N LEU A 8 -6.471 1.523 -3.100 1.00 0.00 N ATOM 122 CA LEU A 8 -7.581 0.584 -3.116 1.00 0.00 C ATOM 123 C LEU A 8 -8.830 1.272 -2.563 1.00 0.00 C ATOM 124 O LEU A 8 -8.805 2.462 -2.256 1.00 0.00 O ATOM 125 CB LEU A 8 -7.206 -0.700 -2.376 1.00 0.00 C ATOM 126 CG LEU A 8 -6.155 -0.558 -1.274 1.00 0.00 C ATOM 127 CD1 LEU A 8 -6.296 -1.672 -0.234 1.00 0.00 C ATOM 128 CD2 LEU A 8 -4.744 -0.501 -1.865 1.00 0.00 C ATOM 0 H LEU A 8 -6.322 1.993 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.810 0.279 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.111 -1.119 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.842 -1.423 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.327 0.387 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.537 -1.547 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.286 -1.623 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.166 -2.640 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.016 -0.400 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.545 -1.417 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.665 0.355 -2.535 1.00 0.00 H new ATOM 140 N SER A 9 -9.895 0.490 -2.450 1.00 0.00 N ATOM 141 CA SER A 9 -11.153 1.008 -1.939 1.00 0.00 C ATOM 142 C SER A 9 -11.213 0.830 -0.421 1.00 0.00 C ATOM 143 O SER A 9 -10.261 0.346 0.189 1.00 0.00 O ATOM 144 CB SER A 9 -12.344 0.315 -2.602 1.00 0.00 C ATOM 145 OG SER A 9 -12.829 1.045 -3.727 1.00 0.00 O ATOM 0 H SER A 9 -9.912 -0.498 -2.704 1.00 0.00 H new ATOM 0 HA SER A 9 -11.208 2.070 -2.177 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.051 -0.686 -2.919 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.146 0.197 -1.873 1.00 0.00 H new ATOM 0 HG SER A 9 -13.588 0.569 -4.123 1.00 0.00 H new ATOM 151 N GLY A 10 -12.342 1.229 0.145 1.00 0.00 N ATOM 152 CA GLY A 10 -12.539 1.119 1.581 1.00 0.00 C ATOM 153 C GLY A 10 -12.402 -0.331 2.045 1.00 0.00 C ATOM 154 O GLY A 10 -11.551 -0.644 2.875 1.00 0.00 O ATOM 0 H GLY A 10 -13.130 1.629 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.810 1.741 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.526 1.497 1.846 1.00 0.00 H new ATOM 158 N GLY A 11 -13.251 -1.182 1.485 1.00 0.00 N ATOM 159 CA GLY A 11 -13.235 -2.592 1.831 1.00 0.00 C ATOM 160 C GLY A 11 -11.829 -3.176 1.683 1.00 0.00 C ATOM 161 O GLY A 11 -11.338 -3.857 2.583 1.00 0.00 O ATOM 0 H GLY A 11 -13.954 -0.921 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.581 -2.723 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.928 -3.136 1.189 1.00 0.00 H new ATOM 165 N GLU A 12 -11.220 -2.890 0.541 1.00 0.00 N ATOM 166 CA GLU A 12 -9.880 -3.379 0.264 1.00 0.00 C ATOM 167 C GLU A 12 -8.894 -2.842 1.304 1.00 0.00 C ATOM 168 O GLU A 12 -7.909 -3.503 1.628 1.00 0.00 O ATOM 169 CB GLU A 12 -9.442 -3.003 -1.153 1.00 0.00 C ATOM 170 CG GLU A 12 -9.962 -4.017 -2.174 1.00 0.00 C ATOM 171 CD GLU A 12 -10.490 -3.313 -3.426 1.00 0.00 C ATOM 172 OE1 GLU A 12 -9.832 -2.338 -3.849 1.00 0.00 O ATOM 173 OE2 GLU A 12 -11.539 -3.766 -3.932 1.00 0.00 O ATOM 0 H GLU A 12 -11.630 -2.326 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.890 -4.467 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.814 -2.009 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.354 -2.958 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.162 -4.704 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.756 -4.615 -1.726 1.00 0.00 H new ATOM 180 N LEU A 13 -9.194 -1.650 1.797 1.00 0.00 N ATOM 181 CA LEU A 13 -8.346 -1.016 2.792 1.00 0.00 C ATOM 182 C LEU A 13 -8.433 -1.802 4.103 1.00 0.00 C ATOM 183 O LEU A 13 -7.414 -2.071 4.737 1.00 0.00 O ATOM 184 CB LEU A 13 -8.705 0.464 2.938 1.00 0.00 C ATOM 185 CG LEU A 13 -7.552 1.453 2.754 1.00 0.00 C ATOM 186 CD1 LEU A 13 -6.495 1.273 3.845 1.00 0.00 C ATOM 187 CD2 LEU A 13 -6.952 1.343 1.350 1.00 0.00 C ATOM 0 H LEU A 13 -10.013 -1.106 1.526 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.304 -1.037 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.482 0.703 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.135 0.618 3.928 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.950 2.463 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.687 1.988 3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.948 1.443 4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.096 0.260 3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.135 2.057 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.573 0.333 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.720 1.561 0.608 1.00 0.00 H new ATOM 199 N ASP A 14 -9.659 -2.147 4.469 1.00 0.00 N ATOM 200 CA ASP A 14 -9.892 -2.896 5.692 1.00 0.00 C ATOM 201 C ASP A 14 -9.130 -4.221 5.627 1.00 0.00 C ATOM 202 O ASP A 14 -8.458 -4.604 6.584 1.00 0.00 O ATOM 203 CB ASP A 14 -11.377 -3.213 5.870 1.00 0.00 C ATOM 204 CG ASP A 14 -11.880 -3.166 7.315 1.00 0.00 C ATOM 205 OD1 ASP A 14 -11.017 -3.064 8.212 1.00 0.00 O ATOM 206 OD2 ASP A 14 -13.116 -3.232 7.487 1.00 0.00 O ATOM 0 H ASP A 14 -10.501 -1.922 3.940 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.551 -2.287 6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.957 -2.507 5.276 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.572 -4.206 5.465 1.00 0.00 H new ATOM 211 N LYS A 15 -9.259 -4.886 4.487 1.00 0.00 N ATOM 212 CA LYS A 15 -8.592 -6.160 4.284 1.00 0.00 C ATOM 213 C LYS A 15 -7.082 -5.931 4.194 1.00 0.00 C ATOM 214 O LYS A 15 -6.295 -6.798 4.569 1.00 0.00 O ATOM 215 CB LYS A 15 -9.178 -6.884 3.070 1.00 0.00 C ATOM 216 CG LYS A 15 -10.362 -7.764 3.476 1.00 0.00 C ATOM 217 CD LYS A 15 -10.585 -8.887 2.460 1.00 0.00 C ATOM 218 CE LYS A 15 -10.130 -10.235 3.024 1.00 0.00 C ATOM 219 NZ LYS A 15 -9.767 -11.158 1.926 1.00 0.00 N ATOM 0 H LYS A 15 -9.816 -4.565 3.695 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.765 -6.820 5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.500 -6.154 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.408 -7.497 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.180 -8.192 4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.263 -7.155 3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.641 -8.938 2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.036 -8.668 1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.274 -10.090 3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.927 -10.672 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.460 -12.068 2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.593 -11.309 1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.992 -10.746 1.368 1.00 0.00 H new ATOM 233 N TRP A 16 -6.722 -4.758 3.692 1.00 0.00 N ATOM 234 CA TRP A 16 -5.320 -4.405 3.548 1.00 0.00 C ATOM 235 C TRP A 16 -4.737 -4.201 4.946 1.00 0.00 C ATOM 236 O TRP A 16 -3.543 -4.405 5.161 1.00 0.00 O ATOM 237 CB TRP A 16 -5.154 -3.179 2.646 1.00 0.00 C ATOM 238 CG TRP A 16 -4.053 -2.217 3.100 1.00 0.00 C ATOM 239 CD1 TRP A 16 -4.137 -1.240 4.012 1.00 0.00 C ATOM 240 CD2 TRP A 16 -2.693 -2.183 2.623 1.00 0.00 C ATOM 241 NE1 TRP A 16 -2.934 -0.579 4.156 1.00 0.00 N ATOM 242 CE2 TRP A 16 -2.028 -1.172 3.285 1.00 0.00 C ATOM 243 CE3 TRP A 16 -2.044 -2.980 1.663 1.00 0.00 C ATOM 244 CZ2 TRP A 16 -0.681 -0.862 3.059 1.00 0.00 C ATOM 245 CZ3 TRP A 16 -0.698 -2.658 1.448 1.00 0.00 C ATOM 246 CH2 TRP A 16 -0.014 -1.643 2.107 1.00 0.00 C ATOM 0 H TRP A 16 -7.377 -4.041 3.380 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.769 -5.206 3.056 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.935 -3.514 1.632 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -6.100 -2.639 2.606 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -5.033 -1.000 4.565 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.745 0.201 4.786 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.544 -3.777 1.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -0.184 -0.064 3.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -0.153 -3.239 0.719 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.027 -1.458 1.886 1.00 0.00 H new ATOM 257 N GLU A 17 -5.607 -3.802 5.863 1.00 0.00 N ATOM 258 CA GLU A 17 -5.192 -3.569 7.236 1.00 0.00 C ATOM 259 C GLU A 17 -5.333 -4.851 8.058 1.00 0.00 C ATOM 260 O GLU A 17 -5.594 -4.799 9.259 1.00 0.00 O ATOM 261 CB GLU A 17 -5.993 -2.425 7.864 1.00 0.00 C ATOM 262 CG GLU A 17 -5.301 -1.080 7.632 1.00 0.00 C ATOM 263 CD GLU A 17 -6.326 0.050 7.518 1.00 0.00 C ATOM 264 OE1 GLU A 17 -6.911 0.177 6.421 1.00 0.00 O ATOM 265 OE2 GLU A 17 -6.500 0.762 8.530 1.00 0.00 O ATOM 0 H GLU A 17 -6.597 -3.634 5.682 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.142 -3.276 7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.996 -2.401 7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.106 -2.600 8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.616 -0.873 8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.703 -1.127 6.722 1.00 0.00 H new ATOM 272 N LYS A 18 -5.154 -5.975 7.378 1.00 0.00 N ATOM 273 CA LYS A 18 -5.257 -7.269 8.030 1.00 0.00 C ATOM 274 C LYS A 18 -3.920 -8.002 7.915 1.00 0.00 C ATOM 275 O LYS A 18 -3.749 -9.084 8.475 1.00 0.00 O ATOM 276 CB LYS A 18 -6.442 -8.058 7.470 1.00 0.00 C ATOM 277 CG LYS A 18 -7.321 -8.604 8.597 1.00 0.00 C ATOM 278 CD LYS A 18 -6.729 -9.889 9.180 1.00 0.00 C ATOM 279 CE LYS A 18 -6.394 -9.716 10.662 1.00 0.00 C ATOM 280 NZ LYS A 18 -7.563 -10.062 11.502 1.00 0.00 N ATOM 0 H LYS A 18 -4.938 -6.015 6.382 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.461 -7.144 9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.036 -7.416 6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.077 -8.882 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.418 -7.855 9.383 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.324 -8.801 8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.437 -10.708 9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.828 -10.161 8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.548 -10.351 10.926 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.092 -8.687 10.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.318 -9.939 12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.360 -9.439 11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.833 -11.052 11.330 1.00 0.00 H new ATOM 294 N ILE A 19 -3.003 -7.383 7.183 1.00 0.00 N ATOM 295 CA ILE A 19 -1.686 -7.964 6.987 1.00 0.00 C ATOM 296 C ILE A 19 -0.769 -7.536 8.135 1.00 0.00 C ATOM 297 O ILE A 19 -0.553 -6.345 8.350 1.00 0.00 O ATOM 298 CB ILE A 19 -1.145 -7.607 5.601 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.169 -7.932 4.512 1.00 0.00 C ATOM 300 CG2 ILE A 19 0.200 -8.290 5.346 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.843 -6.660 3.996 1.00 0.00 C ATOM 0 H ILE A 19 -3.147 -6.486 6.719 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.741 -9.052 7.012 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.972 -6.531 5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.677 -8.447 3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.923 -8.612 4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.563 -8.020 4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.921 -7.966 6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.076 -9.371 5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.566 -6.919 3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.355 -6.160 4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.089 -5.993 3.578 1.00 0.00 H new ATOM 313 N ARG A 20 -0.253 -8.532 8.840 1.00 0.00 N ATOM 314 CA ARG A 20 0.636 -8.274 9.960 1.00 0.00 C ATOM 315 C ARG A 20 2.072 -8.090 9.466 1.00 0.00 C ATOM 316 O ARG A 20 2.518 -8.800 8.566 1.00 0.00 O ATOM 317 CB ARG A 20 0.595 -9.421 10.972 1.00 0.00 C ATOM 318 CG ARG A 20 -0.638 -9.313 11.873 1.00 0.00 C ATOM 319 CD ARG A 20 -0.519 -10.247 13.078 1.00 0.00 C ATOM 320 NE ARG A 20 -1.686 -11.156 13.132 1.00 0.00 N ATOM 321 CZ ARG A 20 -2.902 -10.790 13.559 1.00 0.00 C ATOM 322 NH1 ARG A 20 -3.118 -9.535 13.974 1.00 0.00 N ATOM 323 NH2 ARG A 20 -3.903 -11.681 13.574 1.00 0.00 N ATOM 0 H ARG A 20 -0.434 -9.519 8.657 1.00 0.00 H new ATOM 0 HA ARG A 20 0.296 -7.361 10.449 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.583 -10.375 10.445 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.498 -9.405 11.582 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.754 -8.285 12.215 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.533 -9.562 11.302 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.401 -10.827 13.009 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.460 -9.663 13.997 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.556 -12.120 12.825 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.356 -8.857 13.965 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.044 -9.258 14.299 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.739 -12.638 13.260 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.829 -11.402 13.899 1.00 0.00 H new ATOM 337 N LEU A 21 2.757 -7.135 10.076 1.00 0.00 N ATOM 338 CA LEU A 21 4.133 -6.849 9.709 1.00 0.00 C ATOM 339 C LEU A 21 5.027 -8.006 10.160 1.00 0.00 C ATOM 340 O LEU A 21 5.901 -8.447 9.414 1.00 0.00 O ATOM 341 CB LEU A 21 4.564 -5.488 10.262 1.00 0.00 C ATOM 342 CG LEU A 21 3.540 -4.359 10.136 1.00 0.00 C ATOM 343 CD1 LEU A 21 4.081 -3.059 10.734 1.00 0.00 C ATOM 344 CD2 LEU A 21 3.097 -4.179 8.682 1.00 0.00 C ATOM 0 H LEU A 21 2.384 -6.549 10.823 1.00 0.00 H new ATOM 0 HA LEU A 21 4.230 -6.773 8.626 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.814 -5.609 11.316 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.477 -5.183 9.751 1.00 0.00 H new ATOM 0 HG LEU A 21 2.656 -4.635 10.710 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.333 -2.272 10.631 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.306 -3.210 11.790 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.990 -2.767 10.208 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.369 -3.370 8.621 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.962 -3.936 8.065 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.644 -5.103 8.323 1.00 0.00 H new ATOM 356 N ARG A 22 4.778 -8.465 11.377 1.00 0.00 N ATOM 357 CA ARG A 22 5.549 -9.562 11.936 1.00 0.00 C ATOM 358 C ARG A 22 4.823 -10.890 11.712 1.00 0.00 C ATOM 359 O ARG A 22 3.598 -10.920 11.593 1.00 0.00 O ATOM 360 CB ARG A 22 5.784 -9.364 13.435 1.00 0.00 C ATOM 361 CG ARG A 22 6.907 -8.356 13.686 1.00 0.00 C ATOM 362 CD ARG A 22 6.411 -6.922 13.489 1.00 0.00 C ATOM 363 NE ARG A 22 7.423 -6.132 12.753 1.00 0.00 N ATOM 364 CZ ARG A 22 8.544 -5.647 13.304 1.00 0.00 C ATOM 365 NH1 ARG A 22 8.802 -5.867 14.600 1.00 0.00 N ATOM 366 NH2 ARG A 22 9.406 -4.941 12.559 1.00 0.00 N ATOM 0 H ARG A 22 4.053 -8.097 11.992 1.00 0.00 H new ATOM 0 HA ARG A 22 6.513 -9.581 11.428 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.866 -9.016 13.908 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.038 -10.319 13.896 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.289 -8.476 14.700 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.737 -8.554 13.007 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.470 -6.926 12.938 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.212 -6.461 14.457 1.00 0.00 H new ATOM 0 HE ARG A 22 7.257 -5.945 11.764 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.145 -6.403 15.167 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.655 -5.498 15.020 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.209 -4.773 11.572 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.259 -4.572 12.979 1.00 0.00 H new ATOM 380 N PRO A 23 5.628 -11.985 11.658 1.00 0.00 N ATOM 381 CA PRO A 23 5.074 -13.312 11.451 1.00 0.00 C ATOM 382 C PRO A 23 4.398 -13.828 12.722 1.00 0.00 C ATOM 383 O PRO A 23 3.376 -14.511 12.652 1.00 0.00 O ATOM 384 CB PRO A 23 6.254 -14.166 11.016 1.00 0.00 C ATOM 385 CG PRO A 23 7.499 -13.406 11.443 1.00 0.00 C ATOM 386 CD PRO A 23 7.082 -11.987 11.795 1.00 0.00 C ATOM 0 HA PRO A 23 4.288 -13.328 10.696 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.217 -15.150 11.484 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.244 -14.325 9.938 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.966 -13.890 12.300 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.236 -13.399 10.640 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.385 -11.725 12.809 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.544 -11.261 11.126 1.00 0.00 H new ATOM 394 N GLY A 24 4.994 -13.484 13.853 1.00 0.00 N ATOM 395 CA GLY A 24 4.462 -13.905 15.138 1.00 0.00 C ATOM 396 C GLY A 24 3.369 -12.947 15.620 1.00 0.00 C ATOM 397 O GLY A 24 2.598 -13.280 16.518 1.00 0.00 O ATOM 0 H GLY A 24 5.841 -12.918 13.907 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.056 -14.913 15.055 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.266 -13.945 15.873 1.00 0.00 H new ATOM 401 N GLY A 25 3.338 -11.777 15.000 1.00 0.00 N ATOM 402 CA GLY A 25 2.354 -10.768 15.354 1.00 0.00 C ATOM 403 C GLY A 25 3.033 -9.477 15.816 1.00 0.00 C ATOM 404 O GLY A 25 4.239 -9.457 16.054 1.00 0.00 O ATOM 0 H GLY A 25 3.979 -11.505 14.254 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.716 -10.560 14.495 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.708 -11.147 16.146 1.00 0.00 H new ATOM 408 N LYS A 26 2.227 -8.431 15.929 1.00 0.00 N ATOM 409 CA LYS A 26 2.735 -7.139 16.359 1.00 0.00 C ATOM 410 C LYS A 26 1.738 -6.048 15.964 1.00 0.00 C ATOM 411 O LYS A 26 1.214 -5.342 16.824 1.00 0.00 O ATOM 412 CB LYS A 26 4.146 -6.909 15.812 1.00 0.00 C ATOM 413 CG LYS A 26 4.461 -5.415 15.720 1.00 0.00 C ATOM 414 CD LYS A 26 4.270 -4.901 14.291 1.00 0.00 C ATOM 415 CE LYS A 26 5.534 -4.201 13.787 1.00 0.00 C ATOM 416 NZ LYS A 26 5.349 -2.732 13.794 1.00 0.00 N ATOM 0 H LYS A 26 1.227 -8.452 15.730 1.00 0.00 H new ATOM 0 HA LYS A 26 2.830 -7.109 17.444 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.875 -7.399 16.458 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.237 -7.365 14.826 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.813 -4.861 16.399 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.487 -5.236 16.041 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.023 -5.733 13.631 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.429 -4.208 14.259 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.382 -4.470 14.417 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.767 -4.540 12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.895 -2.310 13.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.341 -2.508 13.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.681 -2.345 14.700 1.00 0.00 H new ATOM 430 N LYS A 27 1.506 -5.943 14.664 1.00 0.00 N ATOM 431 CA LYS A 27 0.581 -4.950 14.146 1.00 0.00 C ATOM 432 C LYS A 27 0.290 -5.249 12.674 1.00 0.00 C ATOM 433 O LYS A 27 0.953 -6.086 12.065 1.00 0.00 O ATOM 434 CB LYS A 27 1.117 -3.538 14.392 1.00 0.00 C ATOM 435 CG LYS A 27 -0.023 -2.561 14.681 1.00 0.00 C ATOM 436 CD LYS A 27 0.190 -1.236 13.945 1.00 0.00 C ATOM 437 CE LYS A 27 0.438 -0.094 14.933 1.00 0.00 C ATOM 438 NZ LYS A 27 1.325 0.927 14.332 1.00 0.00 N ATOM 0 H LYS A 27 1.943 -6.530 13.953 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.370 -5.002 14.677 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.812 -3.550 15.232 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.677 -3.201 13.520 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.971 -3.003 14.375 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.087 -2.379 15.754 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.038 -1.325 13.266 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.684 -1.010 13.335 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.511 0.362 15.217 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.889 -0.485 15.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.483 1.695 15.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.236 0.492 14.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.880 1.313 13.475 1.00 0.00 H new ATOM 452 N GLN A 28 -0.704 -4.549 12.146 1.00 0.00 N ATOM 453 CA GLN A 28 -1.090 -4.729 10.757 1.00 0.00 C ATOM 454 C GLN A 28 -0.936 -3.415 9.988 1.00 0.00 C ATOM 455 O GLN A 28 -0.819 -2.349 10.592 1.00 0.00 O ATOM 456 CB GLN A 28 -2.520 -5.261 10.651 1.00 0.00 C ATOM 457 CG GLN A 28 -3.515 -4.292 11.294 1.00 0.00 C ATOM 458 CD GLN A 28 -4.459 -5.028 12.248 1.00 0.00 C ATOM 459 OE1 GLN A 28 -5.187 -5.930 11.868 1.00 0.00 O ATOM 460 NE2 GLN A 28 -4.407 -4.592 13.503 1.00 0.00 N ATOM 0 H GLN A 28 -1.253 -3.857 12.655 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.427 -5.469 10.309 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.779 -5.411 9.603 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.587 -6.233 11.139 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.974 -3.517 11.838 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.094 -3.792 10.518 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.774 -3.832 13.753 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.000 -5.017 14.216 1.00 0.00 H new ATOM 469 N TYR A 29 -0.942 -3.534 8.669 1.00 0.00 N ATOM 470 CA TYR A 29 -0.804 -2.369 7.812 1.00 0.00 C ATOM 471 C TYR A 29 -1.800 -1.276 8.208 1.00 0.00 C ATOM 472 O TYR A 29 -2.605 -1.465 9.118 1.00 0.00 O ATOM 473 CB TYR A 29 -1.126 -2.847 6.395 1.00 0.00 C ATOM 474 CG TYR A 29 0.026 -3.585 5.711 1.00 0.00 C ATOM 475 CD1 TYR A 29 1.014 -4.178 6.471 1.00 0.00 C ATOM 476 CD2 TYR A 29 0.077 -3.658 4.333 1.00 0.00 C ATOM 477 CE1 TYR A 29 2.099 -4.872 5.826 1.00 0.00 C ATOM 478 CE2 TYR A 29 1.162 -4.354 3.689 1.00 0.00 C ATOM 479 CZ TYR A 29 2.119 -4.926 4.468 1.00 0.00 C ATOM 480 OH TYR A 29 3.143 -5.581 3.858 1.00 0.00 O ATOM 0 H TYR A 29 -1.040 -4.420 8.172 1.00 0.00 H new ATOM 0 HA TYR A 29 0.199 -1.949 7.894 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.994 -3.505 6.433 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.405 -1.987 5.787 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.974 -4.122 7.549 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.696 -3.194 3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.879 -5.339 6.409 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.214 -4.420 2.612 1.00 0.00 H new ATOM 0 HH TYR A 29 3.965 -5.054 3.943 1.00 0.00 H new ATOM 490 N LYS A 30 -1.713 -0.158 7.502 1.00 0.00 N ATOM 491 CA LYS A 30 -2.597 0.964 7.768 1.00 0.00 C ATOM 492 C LYS A 30 -2.281 2.099 6.791 1.00 0.00 C ATOM 493 O LYS A 30 -1.326 2.012 6.022 1.00 0.00 O ATOM 494 CB LYS A 30 -2.511 1.377 9.238 1.00 0.00 C ATOM 495 CG LYS A 30 -3.905 1.499 9.857 1.00 0.00 C ATOM 496 CD LYS A 30 -3.917 2.530 10.986 1.00 0.00 C ATOM 497 CE LYS A 30 -5.349 2.891 11.385 1.00 0.00 C ATOM 498 NZ LYS A 30 -5.743 4.186 10.785 1.00 0.00 N ATOM 0 H LYS A 30 -1.045 -0.005 6.747 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.636 0.679 7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.926 0.642 9.792 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.988 2.329 9.322 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.623 1.787 9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.222 0.530 10.242 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.384 2.134 11.850 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.387 3.428 10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.033 2.108 11.057 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.427 2.948 12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.718 4.416 11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.101 4.933 11.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.688 4.120 9.749 1.00 0.00 H new ATOM 512 N LEU A 31 -3.102 3.137 6.854 1.00 0.00 N ATOM 513 CA LEU A 31 -2.923 4.287 5.985 1.00 0.00 C ATOM 514 C LEU A 31 -1.505 4.834 6.158 1.00 0.00 C ATOM 515 O LEU A 31 -1.004 5.553 5.294 1.00 0.00 O ATOM 516 CB LEU A 31 -4.018 5.325 6.236 1.00 0.00 C ATOM 517 CG LEU A 31 -4.684 5.913 4.991 1.00 0.00 C ATOM 518 CD1 LEU A 31 -3.714 6.814 4.223 1.00 0.00 C ATOM 519 CD2 LEU A 31 -5.263 4.807 4.105 1.00 0.00 C ATOM 0 H LEU A 31 -3.893 3.205 7.494 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.028 3.995 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.790 4.867 6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.589 6.143 6.815 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.517 6.538 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.213 7.219 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.391 7.633 4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.846 6.233 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.731 5.252 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.463 4.137 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.008 4.244 4.667 1.00 0.00 H new ATOM 531 N LYS A 32 -0.898 4.474 7.279 1.00 0.00 N ATOM 532 CA LYS A 32 0.452 4.921 7.576 1.00 0.00 C ATOM 533 C LYS A 32 1.432 4.244 6.615 1.00 0.00 C ATOM 534 O LYS A 32 2.316 4.897 6.063 1.00 0.00 O ATOM 535 CB LYS A 32 0.781 4.689 9.052 1.00 0.00 C ATOM 536 CG LYS A 32 2.118 5.334 9.425 1.00 0.00 C ATOM 537 CD LYS A 32 3.246 4.301 9.413 1.00 0.00 C ATOM 538 CE LYS A 32 4.605 4.976 9.220 1.00 0.00 C ATOM 539 NZ LYS A 32 5.300 5.124 10.518 1.00 0.00 N ATOM 0 H LYS A 32 -1.316 3.878 7.993 1.00 0.00 H new ATOM 0 HA LYS A 32 0.540 5.996 7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.012 5.103 9.674 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.820 3.619 9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.347 6.136 8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.045 5.786 10.414 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.243 3.743 10.349 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.076 3.581 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.217 4.386 8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.469 5.955 8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.221 5.584 10.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.722 5.706 11.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.447 4.186 10.942 1.00 0.00 H new ATOM 553 N HIS A 33 1.240 2.945 6.443 1.00 0.00 N ATOM 554 CA HIS A 33 2.096 2.173 5.557 1.00 0.00 C ATOM 555 C HIS A 33 1.799 2.546 4.104 1.00 0.00 C ATOM 556 O HIS A 33 2.704 2.585 3.272 1.00 0.00 O ATOM 557 CB HIS A 33 1.946 0.675 5.827 1.00 0.00 C ATOM 558 CG HIS A 33 2.500 0.232 7.160 1.00 0.00 C ATOM 559 ND1 HIS A 33 1.694 -0.120 8.228 1.00 0.00 N ATOM 560 CD2 HIS A 33 3.789 0.089 7.586 1.00 0.00 C ATOM 561 CE1 HIS A 33 2.473 -0.459 9.247 1.00 0.00 C ATOM 562 NE2 HIS A 33 3.769 -0.327 8.847 1.00 0.00 N ATOM 0 H HIS A 33 0.505 2.407 6.902 1.00 0.00 H new ATOM 0 HA HIS A 33 3.141 2.415 5.752 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.889 0.412 5.779 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.449 0.121 5.034 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.674 0.281 6.998 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.139 -0.783 10.222 1.00 0.00 H new ATOM 0 HE2 HIS A 33 4.590 -0.517 9.422 1.00 0.00 H new ATOM 571 N ILE A 34 0.526 2.810 3.842 1.00 0.00 N ATOM 572 CA ILE A 34 0.100 3.179 2.503 1.00 0.00 C ATOM 573 C ILE A 34 0.695 4.541 2.139 1.00 0.00 C ATOM 574 O ILE A 34 1.070 4.771 0.990 1.00 0.00 O ATOM 575 CB ILE A 34 -1.426 3.126 2.394 1.00 0.00 C ATOM 576 CG1 ILE A 34 -1.923 1.679 2.359 1.00 0.00 C ATOM 577 CG2 ILE A 34 -1.918 3.930 1.188 1.00 0.00 C ATOM 578 CD1 ILE A 34 -3.406 1.618 1.991 1.00 0.00 C ATOM 0 H ILE A 34 -0.223 2.776 4.534 1.00 0.00 H new ATOM 0 HA ILE A 34 0.475 2.462 1.773 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.848 3.591 3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.341 1.108 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.767 1.213 3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.005 3.876 1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.611 4.971 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.488 3.517 0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.734 0.579 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.987 2.169 2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.555 2.063 1.007 1.00 0.00 H new ATOM 590 N VAL A 35 0.763 5.407 3.139 1.00 0.00 N ATOM 591 CA VAL A 35 1.306 6.740 2.937 1.00 0.00 C ATOM 592 C VAL A 35 2.822 6.645 2.745 1.00 0.00 C ATOM 593 O VAL A 35 3.392 7.361 1.924 1.00 0.00 O ATOM 594 CB VAL A 35 0.908 7.648 4.103 1.00 0.00 C ATOM 595 CG1 VAL A 35 1.921 8.781 4.286 1.00 0.00 C ATOM 596 CG2 VAL A 35 -0.505 8.202 3.909 1.00 0.00 C ATOM 0 H VAL A 35 0.452 5.212 4.091 1.00 0.00 H new ATOM 0 HA VAL A 35 0.891 7.189 2.035 1.00 0.00 H new ATOM 0 HB VAL A 35 0.910 7.046 5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.615 9.412 5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.905 8.360 4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.965 9.380 3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.763 8.844 4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.545 8.781 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.215 7.377 3.851 1.00 0.00 H new ATOM 606 N TRP A 36 3.429 5.755 3.515 1.00 0.00 N ATOM 607 CA TRP A 36 4.867 5.556 3.439 1.00 0.00 C ATOM 608 C TRP A 36 5.193 4.997 2.053 1.00 0.00 C ATOM 609 O TRP A 36 6.135 5.450 1.404 1.00 0.00 O ATOM 610 CB TRP A 36 5.357 4.660 4.578 1.00 0.00 C ATOM 611 CG TRP A 36 6.758 4.085 4.357 1.00 0.00 C ATOM 612 CD1 TRP A 36 7.922 4.746 4.306 1.00 0.00 C ATOM 613 CD2 TRP A 36 7.096 2.696 4.160 1.00 0.00 C ATOM 614 NE1 TRP A 36 8.982 3.889 4.090 1.00 0.00 N ATOM 615 CE2 TRP A 36 8.463 2.602 3.999 1.00 0.00 C ATOM 616 CE3 TRP A 36 6.273 1.556 4.119 1.00 0.00 C ATOM 617 CZ2 TRP A 36 9.128 1.389 3.786 1.00 0.00 C ATOM 618 CZ3 TRP A 36 6.954 0.352 3.905 1.00 0.00 C ATOM 619 CH2 TRP A 36 8.329 0.240 3.741 1.00 0.00 C ATOM 0 H TRP A 36 2.952 5.163 4.195 1.00 0.00 H new ATOM 0 HA TRP A 36 5.396 6.501 3.566 1.00 0.00 H new ATOM 0 HB2 TRP A 36 5.352 5.233 5.505 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.654 3.837 4.708 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.019 5.816 4.420 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.965 4.151 4.012 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.201 1.606 4.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.200 1.342 3.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.369 -0.555 3.864 1.00 0.00 H new ATOM 0 HH2 TRP A 36 8.779 -0.728 3.580 1.00 0.00 H new ATOM 630 N ALA A 37 4.400 4.019 1.642 1.00 0.00 N ATOM 631 CA ALA A 37 4.594 3.393 0.346 1.00 0.00 C ATOM 632 C ALA A 37 4.511 4.459 -0.749 1.00 0.00 C ATOM 633 O ALA A 37 5.390 4.546 -1.604 1.00 0.00 O ATOM 634 CB ALA A 37 3.559 2.281 0.157 1.00 0.00 C ATOM 0 H ALA A 37 3.621 3.645 2.184 1.00 0.00 H new ATOM 0 HA ALA A 37 5.581 2.935 0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.704 1.811 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.679 1.535 0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.556 2.705 0.209 1.00 0.00 H new ATOM 640 N SER A 38 3.445 5.244 -0.686 1.00 0.00 N ATOM 641 CA SER A 38 3.236 6.301 -1.660 1.00 0.00 C ATOM 642 C SER A 38 4.435 7.250 -1.669 1.00 0.00 C ATOM 643 O SER A 38 4.841 7.733 -2.725 1.00 0.00 O ATOM 644 CB SER A 38 1.949 7.076 -1.366 1.00 0.00 C ATOM 645 OG SER A 38 2.145 8.080 -0.376 1.00 0.00 O ATOM 0 H SER A 38 2.717 5.169 0.025 1.00 0.00 H new ATOM 0 HA SER A 38 3.136 5.843 -2.644 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.586 7.538 -2.284 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.177 6.383 -1.032 1.00 0.00 H new ATOM 0 HG SER A 38 2.602 7.691 0.399 1.00 0.00 H new ATOM 651 N ARG A 39 4.970 7.488 -0.480 1.00 0.00 N ATOM 652 CA ARG A 39 6.115 8.371 -0.338 1.00 0.00 C ATOM 653 C ARG A 39 7.320 7.802 -1.090 1.00 0.00 C ATOM 654 O ARG A 39 8.034 8.537 -1.771 1.00 0.00 O ATOM 655 CB ARG A 39 6.486 8.559 1.134 1.00 0.00 C ATOM 656 CG ARG A 39 7.636 9.557 1.287 1.00 0.00 C ATOM 657 CD ARG A 39 8.622 9.096 2.363 1.00 0.00 C ATOM 658 NE ARG A 39 10.011 9.272 1.884 1.00 0.00 N ATOM 659 CZ ARG A 39 11.076 9.379 2.691 1.00 0.00 C ATOM 660 NH1 ARG A 39 10.916 9.327 4.020 1.00 0.00 N ATOM 661 NH2 ARG A 39 12.299 9.536 2.168 1.00 0.00 N ATOM 0 H ARG A 39 4.631 7.085 0.394 1.00 0.00 H new ATOM 0 HA ARG A 39 5.842 9.338 -0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.617 8.912 1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.772 7.600 1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.156 9.667 0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.239 10.538 1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.469 9.668 3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.443 8.049 2.608 1.00 0.00 H new ATOM 0 HE ARG A 39 10.168 9.315 0.877 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.984 9.206 4.417 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.726 9.408 4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.420 9.574 1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.110 9.617 2.782 1.00 0.00 H new ATOM 675 N GLU A 40 7.508 6.499 -0.943 1.00 0.00 N ATOM 676 CA GLU A 40 8.614 5.824 -1.601 1.00 0.00 C ATOM 677 C GLU A 40 8.421 5.844 -3.119 1.00 0.00 C ATOM 678 O GLU A 40 9.392 5.923 -3.870 1.00 0.00 O ATOM 679 CB GLU A 40 8.765 4.391 -1.086 1.00 0.00 C ATOM 680 CG GLU A 40 10.214 3.914 -1.211 1.00 0.00 C ATOM 681 CD GLU A 40 11.172 4.882 -0.515 1.00 0.00 C ATOM 682 OE1 GLU A 40 10.758 5.442 0.523 1.00 0.00 O ATOM 683 OE2 GLU A 40 12.297 5.042 -1.037 1.00 0.00 O ATOM 0 H GLU A 40 6.913 5.893 -0.378 1.00 0.00 H new ATOM 0 HA GLU A 40 9.534 6.359 -1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.450 4.340 -0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.110 3.727 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.313 2.921 -0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.482 3.826 -2.264 1.00 0.00 H new ATOM 690 N LEU A 41 7.162 5.772 -3.524 1.00 0.00 N ATOM 691 CA LEU A 41 6.830 5.781 -4.939 1.00 0.00 C ATOM 692 C LEU A 41 7.261 7.114 -5.551 1.00 0.00 C ATOM 693 O LEU A 41 7.949 7.140 -6.571 1.00 0.00 O ATOM 694 CB LEU A 41 5.347 5.461 -5.143 1.00 0.00 C ATOM 695 CG LEU A 41 5.000 3.983 -5.333 1.00 0.00 C ATOM 696 CD1 LEU A 41 4.719 3.671 -6.804 1.00 0.00 C ATOM 697 CD2 LEU A 41 6.094 3.084 -4.754 1.00 0.00 C ATOM 0 H LEU A 41 6.360 5.707 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 41 7.377 4.998 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.793 5.836 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.993 6.012 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 41 4.085 3.773 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.475 2.614 -6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.880 4.274 -7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.602 3.902 -7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.822 2.039 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.038 3.289 -5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.202 3.283 -3.688 1.00 0.00 H new ATOM 709 N GLU A 42 6.839 8.190 -4.904 1.00 0.00 N ATOM 710 CA GLU A 42 7.174 9.525 -5.372 1.00 0.00 C ATOM 711 C GLU A 42 8.681 9.767 -5.254 1.00 0.00 C ATOM 712 O GLU A 42 9.264 10.478 -6.070 1.00 0.00 O ATOM 713 CB GLU A 42 6.386 10.589 -4.605 1.00 0.00 C ATOM 714 CG GLU A 42 6.500 11.953 -5.288 1.00 0.00 C ATOM 715 CD GLU A 42 5.184 12.337 -5.968 1.00 0.00 C ATOM 716 OE1 GLU A 42 4.785 11.596 -6.892 1.00 0.00 O ATOM 717 OE2 GLU A 42 4.607 13.363 -5.549 1.00 0.00 O ATOM 0 H GLU A 42 6.268 8.165 -4.059 1.00 0.00 H new ATOM 0 HA GLU A 42 6.895 9.601 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.338 10.296 -4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.759 10.657 -3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.768 12.711 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.301 11.928 -6.026 1.00 0.00 H new ATOM 724 N ARG A 43 9.267 9.161 -4.232 1.00 0.00 N ATOM 725 CA ARG A 43 10.693 9.302 -3.997 1.00 0.00 C ATOM 726 C ARG A 43 11.483 8.469 -5.010 1.00 0.00 C ATOM 727 O ARG A 43 12.650 8.751 -5.275 1.00 0.00 O ATOM 728 CB ARG A 43 11.065 8.856 -2.582 1.00 0.00 C ATOM 729 CG ARG A 43 11.328 10.062 -1.679 1.00 0.00 C ATOM 730 CD ARG A 43 12.691 10.688 -1.982 1.00 0.00 C ATOM 731 NE ARG A 43 12.586 12.164 -1.959 1.00 0.00 N ATOM 732 CZ ARG A 43 13.641 12.991 -1.949 1.00 0.00 C ATOM 733 NH1 ARG A 43 14.884 12.493 -1.961 1.00 0.00 N ATOM 734 NH2 ARG A 43 13.452 14.318 -1.928 1.00 0.00 N ATOM 0 H ARG A 43 8.780 8.571 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 43 10.945 10.356 -4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.260 8.253 -2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.952 8.223 -2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.543 10.805 -1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.290 9.754 -0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.424 10.356 -1.247 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.044 10.355 -2.958 1.00 0.00 H new ATOM 0 HE ARG A 43 11.654 12.577 -1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.029 11.483 -1.978 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.686 13.123 -1.953 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.506 14.698 -1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.255 14.947 -1.920 1.00 0.00 H new ATOM 748 N PHE A 44 10.813 7.461 -5.549 1.00 0.00 N ATOM 749 CA PHE A 44 11.437 6.586 -6.526 1.00 0.00 C ATOM 750 C PHE A 44 11.339 7.178 -7.934 1.00 0.00 C ATOM 751 O PHE A 44 11.880 6.617 -8.886 1.00 0.00 O ATOM 752 CB PHE A 44 10.676 5.259 -6.489 1.00 0.00 C ATOM 753 CG PHE A 44 11.344 4.182 -5.630 1.00 0.00 C ATOM 754 CD1 PHE A 44 12.692 4.014 -5.676 1.00 0.00 C ATOM 755 CD2 PHE A 44 10.587 3.394 -4.820 1.00 0.00 C ATOM 756 CE1 PHE A 44 13.310 3.016 -4.879 1.00 0.00 C ATOM 757 CE2 PHE A 44 11.206 2.395 -4.023 1.00 0.00 C ATOM 758 CZ PHE A 44 12.554 2.227 -4.070 1.00 0.00 C ATOM 0 H PHE A 44 9.844 7.231 -5.327 1.00 0.00 H new ATOM 0 HA PHE A 44 12.493 6.456 -6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.670 5.439 -6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.571 4.884 -7.507 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.293 4.640 -6.319 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.516 3.528 -4.783 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.381 2.883 -4.915 1.00 0.00 H new ATOM 0 HE2 PHE A 44 10.606 1.769 -3.380 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.025 1.467 -3.465 1.00 0.00 H new ATOM 768 N ALA A 45 10.646 8.303 -8.021 1.00 0.00 N ATOM 769 CA ALA A 45 10.469 8.976 -9.295 1.00 0.00 C ATOM 770 C ALA A 45 9.327 8.311 -10.065 1.00 0.00 C ATOM 771 O ALA A 45 9.215 8.472 -11.280 1.00 0.00 O ATOM 772 CB ALA A 45 11.788 8.953 -10.072 1.00 0.00 C ATOM 0 H ALA A 45 10.200 8.766 -7.229 1.00 0.00 H new ATOM 0 HA ALA A 45 10.198 10.021 -9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.656 9.458 -11.029 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.559 9.464 -9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.090 7.920 -10.246 1.00 0.00 H new ATOM 778 N VAL A 46 8.506 7.578 -9.328 1.00 0.00 N ATOM 779 CA VAL A 46 7.377 6.888 -9.926 1.00 0.00 C ATOM 780 C VAL A 46 6.076 7.534 -9.446 1.00 0.00 C ATOM 781 O VAL A 46 6.015 8.064 -8.337 1.00 0.00 O ATOM 782 CB VAL A 46 7.452 5.391 -9.612 1.00 0.00 C ATOM 783 CG1 VAL A 46 7.165 5.126 -8.134 1.00 0.00 C ATOM 784 CG2 VAL A 46 6.500 4.595 -10.508 1.00 0.00 C ATOM 0 H VAL A 46 8.601 7.447 -8.321 1.00 0.00 H new ATOM 0 HA VAL A 46 7.405 6.981 -11.012 1.00 0.00 H new ATOM 0 HB VAL A 46 8.468 5.055 -9.821 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.225 4.055 -7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.900 5.649 -7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.166 5.485 -7.887 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.573 3.535 -10.265 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.477 4.935 -10.345 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.771 4.747 -11.553 1.00 0.00 H new ATOM 794 N ASN A 47 5.068 7.470 -10.304 1.00 0.00 N ATOM 795 CA ASN A 47 3.773 8.042 -9.980 1.00 0.00 C ATOM 796 C ASN A 47 3.042 7.121 -9.001 1.00 0.00 C ATOM 797 O ASN A 47 3.061 5.902 -9.159 1.00 0.00 O ATOM 798 CB ASN A 47 2.906 8.184 -11.232 1.00 0.00 C ATOM 799 CG ASN A 47 3.009 9.596 -11.814 1.00 0.00 C ATOM 800 OD1 ASN A 47 3.195 10.574 -11.109 1.00 0.00 O ATOM 801 ND2 ASN A 47 2.879 9.646 -13.137 1.00 0.00 N ATOM 0 H ASN A 47 5.123 7.031 -11.223 1.00 0.00 H new ATOM 0 HA ASN A 47 3.940 9.026 -9.542 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.219 7.455 -11.980 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.867 7.963 -10.986 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.933 10.542 -13.621 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.725 8.788 -13.667 1.00 0.00 H new ATOM 808 N PRO A 48 2.400 7.756 -7.985 1.00 0.00 N ATOM 809 CA PRO A 48 1.665 7.007 -6.980 1.00 0.00 C ATOM 810 C PRO A 48 0.339 6.491 -7.542 1.00 0.00 C ATOM 811 O PRO A 48 -0.102 5.396 -7.196 1.00 0.00 O ATOM 812 CB PRO A 48 1.483 7.975 -5.822 1.00 0.00 C ATOM 813 CG PRO A 48 1.710 9.363 -6.400 1.00 0.00 C ATOM 814 CD PRO A 48 2.357 9.199 -7.765 1.00 0.00 C ATOM 0 HA PRO A 48 2.193 6.111 -6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.484 7.889 -5.394 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.192 7.764 -5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.765 9.899 -6.487 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.350 9.950 -5.742 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.778 9.701 -8.540 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.357 9.632 -7.784 1.00 0.00 H new ATOM 822 N GLY A 49 -0.261 7.305 -8.398 1.00 0.00 N ATOM 823 CA GLY A 49 -1.528 6.945 -9.012 1.00 0.00 C ATOM 824 C GLY A 49 -1.403 5.640 -9.802 1.00 0.00 C ATOM 825 O GLY A 49 -2.329 4.830 -9.820 1.00 0.00 O ATOM 0 H GLY A 49 0.107 8.213 -8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.292 6.836 -8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.856 7.746 -9.675 1.00 0.00 H new ATOM 829 N LEU A 50 -0.251 5.477 -10.435 1.00 0.00 N ATOM 830 CA LEU A 50 0.008 4.285 -11.225 1.00 0.00 C ATOM 831 C LEU A 50 0.048 3.066 -10.302 1.00 0.00 C ATOM 832 O LEU A 50 0.037 1.928 -10.769 1.00 0.00 O ATOM 833 CB LEU A 50 1.274 4.462 -12.064 1.00 0.00 C ATOM 834 CG LEU A 50 2.431 3.516 -11.740 1.00 0.00 C ATOM 835 CD1 LEU A 50 2.779 3.566 -10.252 1.00 0.00 C ATOM 836 CD2 LEU A 50 2.124 2.093 -12.210 1.00 0.00 C ATOM 0 H LEU A 50 0.514 6.151 -10.417 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.799 4.119 -11.939 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.011 4.335 -13.114 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.625 5.487 -11.945 1.00 0.00 H new ATOM 0 HG LEU A 50 3.311 3.852 -12.288 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.605 2.884 -10.048 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.071 4.581 -9.980 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.910 3.269 -9.665 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.963 1.441 -11.967 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.226 1.730 -11.710 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.964 2.092 -13.288 1.00 0.00 H new ATOM 848 N LEU A 51 0.092 3.345 -9.007 1.00 0.00 N ATOM 849 CA LEU A 51 0.134 2.285 -8.014 1.00 0.00 C ATOM 850 C LEU A 51 -1.294 1.909 -7.614 1.00 0.00 C ATOM 851 O LEU A 51 -1.499 1.020 -6.790 1.00 0.00 O ATOM 852 CB LEU A 51 1.016 2.693 -6.832 1.00 0.00 C ATOM 853 CG LEU A 51 1.826 1.569 -6.181 1.00 0.00 C ATOM 854 CD1 LEU A 51 2.397 2.016 -4.834 1.00 0.00 C ATOM 855 CD2 LEU A 51 0.991 0.294 -6.054 1.00 0.00 C ATOM 0 H LEU A 51 0.099 4.290 -8.623 1.00 0.00 H new ATOM 0 HA LEU A 51 0.594 1.390 -8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.708 3.464 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.382 3.145 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 51 2.671 1.337 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.968 1.200 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.049 2.876 -4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.581 2.291 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.590 -0.489 -5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.114 0.493 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.673 -0.033 -7.044 1.00 0.00 H new ATOM 867 N GLU A 52 -2.246 2.607 -8.217 1.00 0.00 N ATOM 868 CA GLU A 52 -3.649 2.358 -7.935 1.00 0.00 C ATOM 869 C GLU A 52 -4.129 1.112 -8.683 1.00 0.00 C ATOM 870 O GLU A 52 -5.266 0.678 -8.507 1.00 0.00 O ATOM 871 CB GLU A 52 -4.506 3.575 -8.292 1.00 0.00 C ATOM 872 CG GLU A 52 -4.863 3.575 -9.781 1.00 0.00 C ATOM 873 CD GLU A 52 -5.572 4.873 -10.174 1.00 0.00 C ATOM 874 OE1 GLU A 52 -6.702 5.075 -9.679 1.00 0.00 O ATOM 875 OE2 GLU A 52 -4.968 5.633 -10.960 1.00 0.00 O ATOM 0 H GLU A 52 -2.073 3.345 -8.900 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.757 2.180 -6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.418 3.570 -7.695 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.968 4.489 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.957 3.456 -10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.505 2.723 -10.005 1.00 0.00 H new ATOM 882 N THR A 53 -3.237 0.572 -9.500 1.00 0.00 N ATOM 883 CA THR A 53 -3.554 -0.616 -10.275 1.00 0.00 C ATOM 884 C THR A 53 -2.678 -1.790 -9.834 1.00 0.00 C ATOM 885 O THR A 53 -1.487 -1.619 -9.580 1.00 0.00 O ATOM 886 CB THR A 53 -3.403 -0.268 -11.757 1.00 0.00 C ATOM 887 OG1 THR A 53 -1.994 -0.217 -11.960 1.00 0.00 O ATOM 888 CG2 THR A 53 -3.876 1.152 -12.076 1.00 0.00 C ATOM 0 H THR A 53 -2.295 0.935 -9.642 1.00 0.00 H new ATOM 0 HA THR A 53 -4.582 -0.937 -10.105 1.00 0.00 H new ATOM 0 HB THR A 53 -3.967 -0.982 -12.357 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.621 0.549 -11.476 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.747 1.348 -13.140 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.929 1.252 -11.813 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.289 1.869 -11.502 1.00 0.00 H new ATOM 896 N SER A 54 -3.302 -2.956 -9.758 1.00 0.00 N ATOM 897 CA SER A 54 -2.594 -4.158 -9.353 1.00 0.00 C ATOM 898 C SER A 54 -1.399 -4.398 -10.278 1.00 0.00 C ATOM 899 O SER A 54 -0.373 -4.925 -9.848 1.00 0.00 O ATOM 900 CB SER A 54 -3.523 -5.374 -9.360 1.00 0.00 C ATOM 901 OG SER A 54 -3.333 -6.185 -10.516 1.00 0.00 O ATOM 0 H SER A 54 -4.290 -3.094 -9.970 1.00 0.00 H new ATOM 0 HA SER A 54 -2.234 -4.016 -8.334 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.345 -5.971 -8.465 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.559 -5.039 -9.319 1.00 0.00 H new ATOM 0 HG SER A 54 -3.943 -6.951 -10.482 1.00 0.00 H new ATOM 907 N GLU A 55 -1.571 -4.002 -11.531 1.00 0.00 N ATOM 908 CA GLU A 55 -0.520 -4.168 -12.520 1.00 0.00 C ATOM 909 C GLU A 55 0.647 -3.225 -12.217 1.00 0.00 C ATOM 910 O GLU A 55 1.808 -3.618 -12.311 1.00 0.00 O ATOM 911 CB GLU A 55 -1.057 -3.942 -13.934 1.00 0.00 C ATOM 912 CG GLU A 55 -0.840 -5.179 -14.807 1.00 0.00 C ATOM 913 CD GLU A 55 -2.042 -5.419 -15.725 1.00 0.00 C ATOM 914 OE1 GLU A 55 -2.228 -4.591 -16.643 1.00 0.00 O ATOM 915 OE2 GLU A 55 -2.746 -6.423 -15.487 1.00 0.00 O ATOM 0 H GLU A 55 -2.423 -3.566 -11.884 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.155 -5.194 -12.466 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.120 -3.706 -13.890 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.558 -3.083 -14.383 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.061 -5.052 -15.407 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.681 -6.052 -14.174 1.00 0.00 H new ATOM 922 N GLY A 56 0.296 -1.999 -11.860 1.00 0.00 N ATOM 923 CA GLY A 56 1.299 -0.996 -11.544 1.00 0.00 C ATOM 924 C GLY A 56 2.082 -1.381 -10.286 1.00 0.00 C ATOM 925 O GLY A 56 3.297 -1.197 -10.227 1.00 0.00 O ATOM 0 H GLY A 56 -0.669 -1.677 -11.782 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.985 -0.885 -12.384 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.818 -0.029 -11.396 1.00 0.00 H new ATOM 929 N CYS A 57 1.353 -1.908 -9.313 1.00 0.00 N ATOM 930 CA CYS A 57 1.964 -2.321 -8.061 1.00 0.00 C ATOM 931 C CYS A 57 2.938 -3.462 -8.355 1.00 0.00 C ATOM 932 O CYS A 57 4.061 -3.470 -7.853 1.00 0.00 O ATOM 933 CB CYS A 57 0.913 -2.720 -7.024 1.00 0.00 C ATOM 934 SG CYS A 57 1.732 -3.249 -5.475 1.00 0.00 S ATOM 0 H CYS A 57 0.346 -2.058 -9.366 1.00 0.00 H new ATOM 0 HA CYS A 57 2.509 -1.483 -7.626 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.249 -1.879 -6.825 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.295 -3.529 -7.413 1.00 0.00 H new ATOM 0 HG CYS A 57 1.418 -4.484 -5.218 1.00 0.00 H new ATOM 940 N ARG A 58 2.473 -4.401 -9.167 1.00 0.00 N ATOM 941 CA ARG A 58 3.290 -5.545 -9.533 1.00 0.00 C ATOM 942 C ARG A 58 4.548 -5.086 -10.271 1.00 0.00 C ATOM 943 O ARG A 58 5.623 -5.655 -10.087 1.00 0.00 O ATOM 944 CB ARG A 58 2.510 -6.515 -10.425 1.00 0.00 C ATOM 945 CG ARG A 58 3.192 -7.883 -10.474 1.00 0.00 C ATOM 946 CD ARG A 58 3.842 -8.125 -11.838 1.00 0.00 C ATOM 947 NE ARG A 58 3.956 -9.577 -12.095 1.00 0.00 N ATOM 948 CZ ARG A 58 4.610 -10.106 -13.138 1.00 0.00 C ATOM 949 NH1 ARG A 58 5.212 -9.306 -14.028 1.00 0.00 N ATOM 950 NH2 ARG A 58 4.661 -11.437 -13.292 1.00 0.00 N ATOM 0 H ARG A 58 1.541 -4.392 -9.581 1.00 0.00 H new ATOM 0 HA ARG A 58 3.572 -6.059 -8.614 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.493 -6.625 -10.047 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.433 -6.107 -11.433 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.948 -7.944 -9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.460 -8.665 -10.272 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.248 -7.654 -12.621 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.829 -7.664 -11.866 1.00 0.00 H new ATOM 0 HE ARG A 58 3.509 -10.216 -11.437 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.173 -8.293 -13.912 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.710 -9.709 -14.822 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.202 -12.047 -12.615 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.159 -11.840 -14.086 1.00 0.00 H new ATOM 964 N GLN A 59 4.374 -4.059 -11.091 1.00 0.00 N ATOM 965 CA GLN A 59 5.483 -3.515 -11.857 1.00 0.00 C ATOM 966 C GLN A 59 6.546 -2.942 -10.917 1.00 0.00 C ATOM 967 O GLN A 59 7.736 -3.205 -11.086 1.00 0.00 O ATOM 968 CB GLN A 59 4.998 -2.455 -12.847 1.00 0.00 C ATOM 969 CG GLN A 59 6.011 -2.254 -13.975 1.00 0.00 C ATOM 970 CD GLN A 59 5.401 -2.612 -15.332 1.00 0.00 C ATOM 971 OE1 GLN A 59 5.787 -3.568 -15.983 1.00 0.00 O ATOM 972 NE2 GLN A 59 4.428 -1.792 -15.720 1.00 0.00 N ATOM 0 H GLN A 59 3.481 -3.589 -11.241 1.00 0.00 H new ATOM 0 HA GLN A 59 5.933 -4.324 -12.433 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.037 -2.756 -13.265 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.837 -1.512 -12.325 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.347 -1.217 -13.986 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.890 -2.872 -13.793 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.153 -1.009 -15.126 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.957 -1.946 -16.611 1.00 0.00 H new ATOM 981 N ILE A 60 6.079 -2.169 -9.948 1.00 0.00 N ATOM 982 CA ILE A 60 6.975 -1.556 -8.982 1.00 0.00 C ATOM 983 C ILE A 60 7.756 -2.650 -8.253 1.00 0.00 C ATOM 984 O ILE A 60 8.979 -2.574 -8.138 1.00 0.00 O ATOM 985 CB ILE A 60 6.200 -0.626 -8.047 1.00 0.00 C ATOM 986 CG1 ILE A 60 5.940 0.727 -8.711 1.00 0.00 C ATOM 987 CG2 ILE A 60 6.916 -0.478 -6.703 1.00 0.00 C ATOM 988 CD1 ILE A 60 4.441 1.023 -8.785 1.00 0.00 C ATOM 0 H ILE A 60 5.092 -1.953 -9.811 1.00 0.00 H new ATOM 0 HA ILE A 60 7.706 -0.924 -9.487 1.00 0.00 H new ATOM 0 HB ILE A 60 5.228 -1.077 -7.845 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.442 1.514 -8.149 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.365 0.731 -9.715 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.344 0.188 -6.057 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.005 -1.455 -6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.910 -0.061 -6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.284 1.991 -9.261 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.945 0.247 -9.368 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.024 1.042 -7.778 1.00 0.00 H new ATOM 1000 N LEU A 61 7.019 -3.644 -7.778 1.00 0.00 N ATOM 1001 CA LEU A 61 7.628 -4.752 -7.062 1.00 0.00 C ATOM 1002 C LEU A 61 8.702 -5.393 -7.942 1.00 0.00 C ATOM 1003 O LEU A 61 9.768 -5.766 -7.455 1.00 0.00 O ATOM 1004 CB LEU A 61 6.556 -5.734 -6.585 1.00 0.00 C ATOM 1005 CG LEU A 61 7.049 -6.896 -5.718 1.00 0.00 C ATOM 1006 CD1 LEU A 61 7.229 -6.457 -4.263 1.00 0.00 C ATOM 1007 CD2 LEU A 61 6.119 -8.104 -5.841 1.00 0.00 C ATOM 0 H LEU A 61 6.005 -3.705 -7.875 1.00 0.00 H new ATOM 0 HA LEU A 61 8.126 -4.396 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.807 -5.178 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.054 -6.147 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 61 8.028 -7.204 -6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.580 -7.301 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.960 -5.650 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.275 -6.107 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.492 -8.915 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.117 -7.826 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.085 -8.433 -6.880 1.00 0.00 H new ATOM 1019 N GLY A 62 8.383 -5.502 -9.224 1.00 0.00 N ATOM 1020 CA GLY A 62 9.308 -6.092 -10.177 1.00 0.00 C ATOM 1021 C GLY A 62 10.501 -5.168 -10.427 1.00 0.00 C ATOM 1022 O GLY A 62 11.588 -5.632 -10.771 1.00 0.00 O ATOM 0 H GLY A 62 7.498 -5.192 -9.624 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.660 -7.052 -9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.792 -6.288 -11.117 1.00 0.00 H new ATOM 1026 N GLN A 63 10.259 -3.879 -10.246 1.00 0.00 N ATOM 1027 CA GLN A 63 11.300 -2.885 -10.447 1.00 0.00 C ATOM 1028 C GLN A 63 12.319 -2.945 -9.307 1.00 0.00 C ATOM 1029 O GLN A 63 13.516 -2.774 -9.530 1.00 0.00 O ATOM 1030 CB GLN A 63 10.702 -1.483 -10.576 1.00 0.00 C ATOM 1031 CG GLN A 63 11.449 -0.664 -11.631 1.00 0.00 C ATOM 1032 CD GLN A 63 12.417 0.322 -10.974 1.00 0.00 C ATOM 1033 OE1 GLN A 63 13.524 -0.018 -10.589 1.00 0.00 O ATOM 1034 NE2 GLN A 63 11.941 1.559 -10.869 1.00 0.00 N ATOM 0 H GLN A 63 9.356 -3.499 -9.962 1.00 0.00 H new ATOM 0 HA GLN A 63 11.816 -3.111 -11.380 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.649 -1.556 -10.846 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.750 -0.973 -9.614 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.999 -1.332 -12.294 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.734 -0.121 -12.248 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.005 1.776 -11.212 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.512 2.291 -10.446 1.00 0.00 H new ATOM 1043 N LEU A 64 11.805 -3.188 -8.110 1.00 0.00 N ATOM 1044 CA LEU A 64 12.655 -3.273 -6.935 1.00 0.00 C ATOM 1045 C LEU A 64 13.138 -4.714 -6.761 1.00 0.00 C ATOM 1046 O LEU A 64 14.100 -4.968 -6.040 1.00 0.00 O ATOM 1047 CB LEU A 64 11.930 -2.716 -5.708 1.00 0.00 C ATOM 1048 CG LEU A 64 11.106 -1.447 -5.934 1.00 0.00 C ATOM 1049 CD1 LEU A 64 10.346 -1.053 -4.667 1.00 0.00 C ATOM 1050 CD2 LEU A 64 11.987 -0.307 -6.452 1.00 0.00 C ATOM 0 H LEU A 64 10.811 -3.329 -7.929 1.00 0.00 H new ATOM 0 HA LEU A 64 13.542 -2.653 -7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.269 -3.490 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.671 -2.511 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 64 10.362 -1.655 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.769 -0.148 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.672 -1.860 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.055 -0.869 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.377 0.584 -6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.769 -0.091 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.443 -0.601 -7.397 1.00 0.00 H new ATOM 1062 N GLN A 65 12.446 -5.621 -7.437 1.00 0.00 N ATOM 1063 CA GLN A 65 12.792 -7.031 -7.367 1.00 0.00 C ATOM 1064 C GLN A 65 14.312 -7.203 -7.327 1.00 0.00 C ATOM 1065 O GLN A 65 14.843 -7.862 -6.435 1.00 0.00 O ATOM 1066 CB GLN A 65 12.183 -7.804 -8.538 1.00 0.00 C ATOM 1067 CG GLN A 65 11.382 -9.008 -8.042 1.00 0.00 C ATOM 1068 CD GLN A 65 12.281 -9.997 -7.297 1.00 0.00 C ATOM 1069 OE1 GLN A 65 13.470 -9.785 -7.125 1.00 0.00 O ATOM 1070 NE2 GLN A 65 11.650 -11.085 -6.866 1.00 0.00 N ATOM 0 H GLN A 65 11.648 -5.407 -8.035 1.00 0.00 H new ATOM 0 HA GLN A 65 12.375 -7.442 -6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.535 -7.145 -9.116 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.975 -8.140 -9.208 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.582 -8.670 -7.383 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.909 -9.507 -8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.652 -11.200 -7.044 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.164 -11.805 -6.357 1.00 0.00 H new ATOM 1079 N PRO A 66 14.987 -6.583 -8.332 1.00 0.00 N ATOM 1080 CA PRO A 66 16.435 -6.661 -8.421 1.00 0.00 C ATOM 1081 C PRO A 66 17.098 -5.763 -7.374 1.00 0.00 C ATOM 1082 O PRO A 66 18.121 -6.127 -6.797 1.00 0.00 O ATOM 1083 CB PRO A 66 16.764 -6.252 -9.847 1.00 0.00 C ATOM 1084 CG PRO A 66 15.539 -5.517 -10.364 1.00 0.00 C ATOM 1085 CD PRO A 66 14.392 -5.793 -9.406 1.00 0.00 C ATOM 0 HA PRO A 66 16.816 -7.660 -8.209 1.00 0.00 H new ATOM 0 HB2 PRO A 66 17.645 -5.611 -9.876 1.00 0.00 H new ATOM 0 HB3 PRO A 66 16.984 -7.124 -10.462 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.734 -4.447 -10.427 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.287 -5.855 -11.369 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.963 -4.866 -9.025 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.587 -6.338 -9.899 1.00 0.00 H new ATOM 1093 N SER A 67 16.487 -4.606 -7.160 1.00 0.00 N ATOM 1094 CA SER A 67 17.005 -3.654 -6.192 1.00 0.00 C ATOM 1095 C SER A 67 17.114 -4.312 -4.817 1.00 0.00 C ATOM 1096 O SER A 67 17.812 -3.810 -3.938 1.00 0.00 O ATOM 1097 CB SER A 67 16.119 -2.408 -6.118 1.00 0.00 C ATOM 1098 OG SER A 67 16.065 -1.715 -7.361 1.00 0.00 O ATOM 0 H SER A 67 15.638 -4.307 -7.640 1.00 0.00 H new ATOM 0 HA SER A 67 17.998 -3.342 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.111 -2.697 -5.821 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.499 -1.739 -5.346 1.00 0.00 H new ATOM 0 HG SER A 67 15.488 -0.928 -7.272 1.00 0.00 H new ATOM 1104 N LEU A 68 16.410 -5.426 -4.671 1.00 0.00 N ATOM 1105 CA LEU A 68 16.420 -6.159 -3.417 1.00 0.00 C ATOM 1106 C LEU A 68 17.834 -6.671 -3.140 1.00 0.00 C ATOM 1107 O LEU A 68 18.311 -6.607 -2.008 1.00 0.00 O ATOM 1108 CB LEU A 68 15.358 -7.261 -3.433 1.00 0.00 C ATOM 1109 CG LEU A 68 13.903 -6.792 -3.373 1.00 0.00 C ATOM 1110 CD1 LEU A 68 12.943 -7.947 -3.658 1.00 0.00 C ATOM 1111 CD2 LEU A 68 13.600 -6.110 -2.037 1.00 0.00 C ATOM 0 H LEU A 68 15.829 -5.838 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 68 16.152 -5.502 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.491 -7.853 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.540 -7.925 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 68 13.752 -6.048 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.915 -7.587 -3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 68 13.140 -8.347 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 68 13.088 -8.732 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.559 -5.787 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.774 -6.813 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 68 14.251 -5.244 -1.915 1.00 0.00 H new ATOM 1123 N GLN A 69 18.465 -7.169 -4.193 1.00 0.00 N ATOM 1124 CA GLN A 69 19.816 -7.692 -4.078 1.00 0.00 C ATOM 1125 C GLN A 69 20.628 -6.854 -3.089 1.00 0.00 C ATOM 1126 O GLN A 69 20.980 -7.327 -2.010 1.00 0.00 O ATOM 1127 CB GLN A 69 20.502 -7.745 -5.444 1.00 0.00 C ATOM 1128 CG GLN A 69 21.156 -9.109 -5.677 1.00 0.00 C ATOM 1129 CD GLN A 69 22.509 -8.957 -6.376 1.00 0.00 C ATOM 1130 OE1 GLN A 69 22.795 -7.960 -7.020 1.00 0.00 O ATOM 1131 NE2 GLN A 69 23.322 -9.996 -6.213 1.00 0.00 N ATOM 0 H GLN A 69 18.066 -7.221 -5.130 1.00 0.00 H new ATOM 0 HA GLN A 69 19.758 -8.712 -3.698 1.00 0.00 H new ATOM 0 HB2 GLN A 69 19.772 -7.549 -6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 69 21.256 -6.961 -5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 69 21.291 -9.619 -4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 69 20.498 -9.733 -6.282 1.00 0.00 H new ATOM 0 HE21 GLN A 69 23.019 -10.799 -5.661 1.00 0.00 H new ATOM 0 HE22 GLN A 69 24.249 -9.990 -6.640 1.00 0.00 H new ATOM 1140 N THR A 70 20.902 -5.621 -3.493 1.00 0.00 N ATOM 1141 CA THR A 70 21.665 -4.712 -2.655 1.00 0.00 C ATOM 1142 C THR A 70 20.789 -3.544 -2.198 1.00 0.00 C ATOM 1143 O THR A 70 21.257 -2.410 -2.109 1.00 0.00 O ATOM 1144 CB THR A 70 22.903 -4.272 -3.441 1.00 0.00 C ATOM 1145 OG1 THR A 70 23.577 -3.382 -2.557 1.00 0.00 O ATOM 1146 CG2 THR A 70 22.550 -3.402 -4.649 1.00 0.00 C ATOM 0 H THR A 70 20.609 -5.231 -4.389 1.00 0.00 H new ATOM 0 HA THR A 70 21.999 -5.203 -1.741 1.00 0.00 H new ATOM 0 HB THR A 70 23.453 -5.152 -3.776 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.929 -2.765 -2.157 1.00 0.00 H new ATOM 0 HG21 THR A 70 23.463 -3.117 -5.172 1.00 0.00 H new ATOM 0 HG22 THR A 70 21.905 -3.963 -5.325 1.00 0.00 H new ATOM 0 HG23 THR A 70 22.030 -2.505 -4.312 1.00 0.00 H new ATOM 1154 N GLY A 71 19.532 -3.863 -1.921 1.00 0.00 N ATOM 1155 CA GLY A 71 18.587 -2.854 -1.475 1.00 0.00 C ATOM 1156 C GLY A 71 18.761 -2.559 0.016 1.00 0.00 C ATOM 1157 O GLY A 71 19.523 -3.238 0.702 1.00 0.00 O ATOM 0 H GLY A 71 19.147 -4.805 -1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.729 -1.939 -2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.569 -3.195 -1.665 1.00 0.00 H new ATOM 1161 N SER A 72 18.041 -1.546 0.475 1.00 0.00 N ATOM 1162 CA SER A 72 18.106 -1.153 1.872 1.00 0.00 C ATOM 1163 C SER A 72 16.982 -1.830 2.659 1.00 0.00 C ATOM 1164 O SER A 72 16.062 -2.396 2.070 1.00 0.00 O ATOM 1165 CB SER A 72 18.019 0.367 2.022 1.00 0.00 C ATOM 1166 OG SER A 72 16.677 0.836 1.922 1.00 0.00 O ATOM 0 H SER A 72 17.409 -0.985 -0.097 1.00 0.00 H new ATOM 0 HA SER A 72 19.067 -1.475 2.273 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.435 0.661 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.628 0.843 1.253 1.00 0.00 H new ATOM 0 HG SER A 72 16.663 1.811 2.024 1.00 0.00 H new ATOM 1172 N GLU A 73 17.093 -1.747 3.976 1.00 0.00 N ATOM 1173 CA GLU A 73 16.096 -2.345 4.850 1.00 0.00 C ATOM 1174 C GLU A 73 14.714 -1.757 4.559 1.00 0.00 C ATOM 1175 O GLU A 73 13.724 -2.484 4.506 1.00 0.00 O ATOM 1176 CB GLU A 73 16.474 -2.158 6.321 1.00 0.00 C ATOM 1177 CG GLU A 73 16.082 -3.383 7.147 1.00 0.00 C ATOM 1178 CD GLU A 73 16.559 -3.244 8.595 1.00 0.00 C ATOM 1179 OE1 GLU A 73 17.707 -3.662 8.857 1.00 0.00 O ATOM 1180 OE2 GLU A 73 15.764 -2.722 9.406 1.00 0.00 O ATOM 0 H GLU A 73 17.857 -1.275 4.460 1.00 0.00 H new ATOM 0 HA GLU A 73 16.062 -3.416 4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 73 17.547 -1.986 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.977 -1.273 6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.999 -3.508 7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 73 16.514 -4.279 6.702 1.00 0.00 H new ATOM 1187 N GLU A 74 14.692 -0.444 4.377 1.00 0.00 N ATOM 1188 CA GLU A 74 13.447 0.250 4.093 1.00 0.00 C ATOM 1189 C GLU A 74 12.917 -0.152 2.714 1.00 0.00 C ATOM 1190 O GLU A 74 11.726 -0.416 2.557 1.00 0.00 O ATOM 1191 CB GLU A 74 13.631 1.766 4.187 1.00 0.00 C ATOM 1192 CG GLU A 74 13.128 2.297 5.532 1.00 0.00 C ATOM 1193 CD GLU A 74 12.715 3.765 5.422 1.00 0.00 C ATOM 1194 OE1 GLU A 74 13.610 4.585 5.122 1.00 0.00 O ATOM 1195 OE2 GLU A 74 11.514 4.035 5.641 1.00 0.00 O ATOM 0 H GLU A 74 15.515 0.157 4.421 1.00 0.00 H new ATOM 0 HA GLU A 74 12.712 -0.042 4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.685 2.016 4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.091 2.253 3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.279 1.701 5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.910 2.191 6.284 1.00 0.00 H new ATOM 1202 N LEU A 75 13.827 -0.187 1.753 1.00 0.00 N ATOM 1203 CA LEU A 75 13.467 -0.552 0.394 1.00 0.00 C ATOM 1204 C LEU A 75 12.842 -1.950 0.395 1.00 0.00 C ATOM 1205 O LEU A 75 11.850 -2.191 -0.291 1.00 0.00 O ATOM 1206 CB LEU A 75 14.675 -0.420 -0.535 1.00 0.00 C ATOM 1207 CG LEU A 75 14.445 -0.816 -1.995 1.00 0.00 C ATOM 1208 CD1 LEU A 75 15.329 0.010 -2.932 1.00 0.00 C ATOM 1209 CD2 LEU A 75 14.646 -2.319 -2.195 1.00 0.00 C ATOM 0 H LEU A 75 14.814 0.032 1.888 1.00 0.00 H new ATOM 0 HA LEU A 75 12.716 0.134 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.017 0.615 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.484 -1.033 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 75 13.409 -0.594 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.146 -0.291 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.094 1.068 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.377 -0.158 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.476 -2.573 -3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 75 15.664 -2.590 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.941 -2.867 -1.570 1.00 0.00 H new ATOM 1221 N ARG A 76 13.449 -2.834 1.174 1.00 0.00 N ATOM 1222 CA ARG A 76 12.964 -4.200 1.273 1.00 0.00 C ATOM 1223 C ARG A 76 11.543 -4.219 1.838 1.00 0.00 C ATOM 1224 O ARG A 76 10.652 -4.848 1.268 1.00 0.00 O ATOM 1225 CB ARG A 76 13.874 -5.042 2.170 1.00 0.00 C ATOM 1226 CG ARG A 76 14.507 -6.192 1.382 1.00 0.00 C ATOM 1227 CD ARG A 76 15.299 -7.119 2.307 1.00 0.00 C ATOM 1228 NE ARG A 76 15.730 -8.325 1.566 1.00 0.00 N ATOM 1229 CZ ARG A 76 16.524 -9.277 2.076 1.00 0.00 C ATOM 1230 NH1 ARG A 76 16.977 -9.168 3.332 1.00 0.00 N ATOM 1231 NH2 ARG A 76 16.863 -10.337 1.330 1.00 0.00 N ATOM 0 H ARG A 76 14.272 -2.631 1.742 1.00 0.00 H new ATOM 0 HA ARG A 76 12.965 -4.627 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.656 -4.413 2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.299 -5.442 3.005 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.729 -6.760 0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.166 -5.791 0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.169 -6.595 2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.685 -7.406 3.160 1.00 0.00 H new ATOM 0 HE ARG A 76 15.402 -8.439 0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.718 -8.361 3.899 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.581 -9.892 3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.517 -10.420 0.374 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.467 -11.061 1.718 1.00 0.00 H new ATOM 1245 N SER A 77 11.373 -3.522 2.953 1.00 0.00 N ATOM 1246 CA SER A 77 10.075 -3.451 3.601 1.00 0.00 C ATOM 1247 C SER A 77 9.028 -2.924 2.619 1.00 0.00 C ATOM 1248 O SER A 77 7.877 -3.355 2.643 1.00 0.00 O ATOM 1249 CB SER A 77 10.130 -2.564 4.847 1.00 0.00 C ATOM 1250 OG SER A 77 8.830 -2.272 5.351 1.00 0.00 O ATOM 0 H SER A 77 12.113 -3.002 3.424 1.00 0.00 H new ATOM 0 HA SER A 77 9.794 -4.456 3.916 1.00 0.00 H new ATOM 0 HB2 SER A 77 10.716 -3.061 5.620 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.644 -1.633 4.607 1.00 0.00 H new ATOM 0 HG SER A 77 8.615 -1.332 5.177 1.00 0.00 H new ATOM 1256 N LEU A 78 9.465 -1.996 1.780 1.00 0.00 N ATOM 1257 CA LEU A 78 8.579 -1.405 0.792 1.00 0.00 C ATOM 1258 C LEU A 78 8.143 -2.481 -0.206 1.00 0.00 C ATOM 1259 O LEU A 78 6.960 -2.600 -0.519 1.00 0.00 O ATOM 1260 CB LEU A 78 9.241 -0.191 0.136 1.00 0.00 C ATOM 1261 CG LEU A 78 8.316 0.982 -0.192 1.00 0.00 C ATOM 1262 CD1 LEU A 78 7.012 0.491 -0.826 1.00 0.00 C ATOM 1263 CD2 LEU A 78 8.061 1.843 1.046 1.00 0.00 C ATOM 0 H LEU A 78 10.420 -1.639 1.764 1.00 0.00 H new ATOM 0 HA LEU A 78 7.675 -1.027 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.030 0.168 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.721 -0.518 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 78 8.815 1.614 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.372 1.345 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.235 -0.046 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.499 -0.175 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.400 2.670 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.593 1.236 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.007 2.238 1.416 1.00 0.00 H new ATOM 1275 N TYR A 79 9.124 -3.237 -0.677 1.00 0.00 N ATOM 1276 CA TYR A 79 8.858 -4.299 -1.632 1.00 0.00 C ATOM 1277 C TYR A 79 7.834 -5.292 -1.077 1.00 0.00 C ATOM 1278 O TYR A 79 6.928 -5.719 -1.790 1.00 0.00 O ATOM 1279 CB TYR A 79 10.189 -5.022 -1.843 1.00 0.00 C ATOM 1280 CG TYR A 79 10.082 -6.287 -2.696 1.00 0.00 C ATOM 1281 CD1 TYR A 79 10.169 -6.201 -4.071 1.00 0.00 C ATOM 1282 CD2 TYR A 79 9.900 -7.514 -2.092 1.00 0.00 C ATOM 1283 CE1 TYR A 79 10.069 -7.391 -4.875 1.00 0.00 C ATOM 1284 CE2 TYR A 79 9.800 -8.705 -2.895 1.00 0.00 C ATOM 1285 CZ TYR A 79 9.889 -8.585 -4.247 1.00 0.00 C ATOM 1286 OH TYR A 79 9.795 -9.709 -5.006 1.00 0.00 O ATOM 0 H TYR A 79 10.104 -3.135 -0.415 1.00 0.00 H new ATOM 0 HA TYR A 79 8.454 -3.889 -2.558 1.00 0.00 H new ATOM 0 HB2 TYR A 79 10.892 -4.336 -2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.605 -5.286 -0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.312 -5.241 -4.544 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.832 -7.581 -1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.135 -7.338 -5.952 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.658 -9.671 -2.434 1.00 0.00 H new ATOM 0 HH TYR A 79 9.669 -10.487 -4.424 1.00 0.00 H new ATOM 1296 N ASN A 80 8.014 -5.630 0.192 1.00 0.00 N ATOM 1297 CA ASN A 80 7.118 -6.566 0.851 1.00 0.00 C ATOM 1298 C ASN A 80 5.703 -5.986 0.863 1.00 0.00 C ATOM 1299 O ASN A 80 4.743 -6.677 0.526 1.00 0.00 O ATOM 1300 CB ASN A 80 7.543 -6.806 2.301 1.00 0.00 C ATOM 1301 CG ASN A 80 8.207 -8.175 2.458 1.00 0.00 C ATOM 1302 OD1 ASN A 80 7.574 -9.171 2.764 1.00 0.00 O ATOM 1303 ND2 ASN A 80 9.519 -8.168 2.233 1.00 0.00 N ATOM 0 H ASN A 80 8.766 -5.273 0.781 1.00 0.00 H new ATOM 0 HA ASN A 80 7.152 -7.509 0.305 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.235 -6.024 2.615 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.673 -6.743 2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.055 -9.032 2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.988 -7.298 1.980 1.00 0.00 H new ATOM 1310 N THR A 81 5.617 -4.724 1.255 1.00 0.00 N ATOM 1311 CA THR A 81 4.335 -4.043 1.314 1.00 0.00 C ATOM 1312 C THR A 81 3.690 -3.997 -0.072 1.00 0.00 C ATOM 1313 O THR A 81 2.485 -4.203 -0.208 1.00 0.00 O ATOM 1314 CB THR A 81 4.562 -2.659 1.925 1.00 0.00 C ATOM 1315 OG1 THR A 81 5.364 -2.914 3.076 1.00 0.00 O ATOM 1316 CG2 THR A 81 3.278 -2.052 2.494 1.00 0.00 C ATOM 0 H THR A 81 6.415 -4.154 1.535 1.00 0.00 H new ATOM 0 HA THR A 81 3.630 -4.582 1.947 1.00 0.00 H new ATOM 0 HB THR A 81 4.975 -1.992 1.168 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.310 -2.800 2.847 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.495 -1.070 2.915 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.540 -1.950 1.698 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.883 -2.702 3.274 1.00 0.00 H new ATOM 1324 N ILE A 82 4.522 -3.725 -1.068 1.00 0.00 N ATOM 1325 CA ILE A 82 4.048 -3.649 -2.439 1.00 0.00 C ATOM 1326 C ILE A 82 3.438 -4.994 -2.839 1.00 0.00 C ATOM 1327 O ILE A 82 2.360 -5.040 -3.431 1.00 0.00 O ATOM 1328 CB ILE A 82 5.171 -3.183 -3.369 1.00 0.00 C ATOM 1329 CG1 ILE A 82 5.667 -1.791 -2.972 1.00 0.00 C ATOM 1330 CG2 ILE A 82 4.729 -3.239 -4.833 1.00 0.00 C ATOM 1331 CD1 ILE A 82 7.138 -1.607 -3.348 1.00 0.00 C ATOM 0 H ILE A 82 5.521 -3.555 -0.952 1.00 0.00 H new ATOM 0 HA ILE A 82 3.260 -2.902 -2.528 1.00 0.00 H new ATOM 0 HB ILE A 82 6.012 -3.868 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.063 -1.031 -3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.541 -1.648 -1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.545 -2.903 -5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.462 -4.263 -5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.865 -2.591 -4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.466 -0.610 -3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.742 -2.354 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.256 -1.726 -4.425 1.00 0.00 H new ATOM 1343 N ALA A 83 4.153 -6.057 -2.499 1.00 0.00 N ATOM 1344 CA ALA A 83 3.696 -7.399 -2.815 1.00 0.00 C ATOM 1345 C ALA A 83 2.311 -7.618 -2.203 1.00 0.00 C ATOM 1346 O ALA A 83 1.395 -8.080 -2.882 1.00 0.00 O ATOM 1347 CB ALA A 83 4.722 -8.419 -2.315 1.00 0.00 C ATOM 0 H ALA A 83 5.046 -6.015 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 83 3.605 -7.530 -3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.379 -9.426 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.681 -8.238 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.838 -8.320 -1.236 1.00 0.00 H new ATOM 1353 N VAL A 84 2.201 -7.277 -0.927 1.00 0.00 N ATOM 1354 CA VAL A 84 0.943 -7.431 -0.217 1.00 0.00 C ATOM 1355 C VAL A 84 -0.133 -6.590 -0.906 1.00 0.00 C ATOM 1356 O VAL A 84 -1.290 -7.001 -0.986 1.00 0.00 O ATOM 1357 CB VAL A 84 1.128 -7.071 1.259 1.00 0.00 C ATOM 1358 CG1 VAL A 84 -0.206 -6.687 1.901 1.00 0.00 C ATOM 1359 CG2 VAL A 84 1.795 -8.218 2.023 1.00 0.00 C ATOM 0 H VAL A 84 2.963 -6.895 -0.367 1.00 0.00 H new ATOM 0 HA VAL A 84 0.613 -8.469 -0.246 1.00 0.00 H new ATOM 0 HB VAL A 84 1.787 -6.204 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.046 -6.436 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.625 -5.825 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.899 -7.526 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.915 -7.937 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.172 -9.110 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.773 -8.425 1.588 1.00 0.00 H new ATOM 1369 N LEU A 85 0.286 -5.430 -1.388 1.00 0.00 N ATOM 1370 CA LEU A 85 -0.627 -4.528 -2.069 1.00 0.00 C ATOM 1371 C LEU A 85 -1.235 -5.242 -3.278 1.00 0.00 C ATOM 1372 O LEU A 85 -2.447 -5.193 -3.488 1.00 0.00 O ATOM 1373 CB LEU A 85 0.077 -3.216 -2.420 1.00 0.00 C ATOM 1374 CG LEU A 85 -0.494 -1.954 -1.770 1.00 0.00 C ATOM 1375 CD1 LEU A 85 -0.028 -0.698 -2.510 1.00 0.00 C ATOM 1376 CD2 LEU A 85 -2.019 -2.030 -1.672 1.00 0.00 C ATOM 0 H LEU A 85 1.246 -5.093 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.452 -4.254 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.126 -3.303 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.047 -3.089 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.109 -1.889 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.448 0.185 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.060 -0.643 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.364 -0.740 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.399 -1.121 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.443 -2.131 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.302 -2.892 -1.069 1.00 0.00 H new ATOM 1388 N TYR A 86 -0.368 -5.888 -4.042 1.00 0.00 N ATOM 1389 CA TYR A 86 -0.803 -6.612 -5.224 1.00 0.00 C ATOM 1390 C TYR A 86 -1.767 -7.740 -4.853 1.00 0.00 C ATOM 1391 O TYR A 86 -2.792 -7.926 -5.506 1.00 0.00 O ATOM 1392 CB TYR A 86 0.460 -7.217 -5.839 1.00 0.00 C ATOM 1393 CG TYR A 86 0.195 -8.110 -7.052 1.00 0.00 C ATOM 1394 CD1 TYR A 86 0.141 -7.558 -8.316 1.00 0.00 C ATOM 1395 CD2 TYR A 86 0.011 -9.467 -6.884 1.00 0.00 C ATOM 1396 CE1 TYR A 86 -0.108 -8.399 -9.459 1.00 0.00 C ATOM 1397 CE2 TYR A 86 -0.238 -10.308 -8.026 1.00 0.00 C ATOM 1398 CZ TYR A 86 -0.285 -9.731 -9.258 1.00 0.00 C ATOM 1399 OH TYR A 86 -0.521 -10.525 -10.337 1.00 0.00 O ATOM 0 H TYR A 86 0.636 -5.925 -3.865 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.323 -5.945 -5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.130 -6.410 -6.134 1.00 0.00 H new ATOM 0 HB3 TYR A 86 0.979 -7.800 -5.078 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.285 -6.496 -8.448 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.054 -9.899 -5.895 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -0.153 -7.980 -10.453 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -0.384 -11.372 -7.908 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.627 -11.454 -10.043 1.00 0.00 H new ATOM 1409 N CYS A 87 -1.403 -8.464 -3.804 1.00 0.00 N ATOM 1410 CA CYS A 87 -2.223 -9.569 -3.338 1.00 0.00 C ATOM 1411 C CYS A 87 -3.621 -9.033 -3.023 1.00 0.00 C ATOM 1412 O CYS A 87 -4.620 -9.699 -3.286 1.00 0.00 O ATOM 1413 CB CYS A 87 -1.595 -10.269 -2.130 1.00 0.00 C ATOM 1414 SG CYS A 87 0.059 -10.915 -2.571 1.00 0.00 S ATOM 0 H CYS A 87 -0.552 -8.307 -3.264 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.294 -10.326 -4.119 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.512 -9.570 -1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.237 -11.085 -1.798 1.00 0.00 H new ATOM 0 HG CYS A 87 0.873 -9.922 -2.773 1.00 0.00 H new ATOM 1420 N VAL A 88 -3.646 -7.831 -2.463 1.00 0.00 N ATOM 1421 CA VAL A 88 -4.904 -7.197 -2.109 1.00 0.00 C ATOM 1422 C VAL A 88 -5.610 -6.729 -3.383 1.00 0.00 C ATOM 1423 O VAL A 88 -6.828 -6.851 -3.503 1.00 0.00 O ATOM 1424 CB VAL A 88 -4.656 -6.063 -1.111 1.00 0.00 C ATOM 1425 CG1 VAL A 88 -5.975 -5.547 -0.530 1.00 0.00 C ATOM 1426 CG2 VAL A 88 -3.704 -6.509 -0.001 1.00 0.00 C ATOM 0 H VAL A 88 -2.815 -7.281 -2.246 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.565 -7.909 -1.614 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.182 -5.241 -1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.771 -4.742 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.606 -5.172 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.489 -6.359 -0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.545 -5.685 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.138 -7.355 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.750 -6.805 -0.437 1.00 0.00 H new ATOM 1436 N HIS A 89 -4.815 -6.201 -4.303 1.00 0.00 N ATOM 1437 CA HIS A 89 -5.348 -5.714 -5.563 1.00 0.00 C ATOM 1438 C HIS A 89 -5.911 -6.886 -6.369 1.00 0.00 C ATOM 1439 O HIS A 89 -6.742 -6.693 -7.255 1.00 0.00 O ATOM 1440 CB HIS A 89 -4.288 -4.920 -6.331 1.00 0.00 C ATOM 1441 CG HIS A 89 -3.929 -3.600 -5.694 1.00 0.00 C ATOM 1442 ND1 HIS A 89 -2.762 -3.168 -5.135 1.00 0.00 N flip ATOM 1443 CD2 HIS A 89 -4.827 -2.552 -5.583 1.00 0.00 C flip ATOM 1444 CE1 HIS A 89 -2.937 -1.924 -4.707 1.00 0.00 C flip ATOM 1445 NE2 HIS A 89 -4.216 -1.540 -4.983 1.00 0.00 N flip ATOM 0 H HIS A 89 -3.805 -6.100 -4.200 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.168 -5.022 -5.372 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.387 -5.527 -6.418 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.648 -4.737 -7.343 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.851 -2.558 -5.927 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -2.189 -1.316 -4.220 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -4.630 -0.633 -4.766 1.00 0.00 H new ATOM 1454 N GLN A 90 -5.437 -8.076 -6.034 1.00 0.00 N ATOM 1455 CA GLN A 90 -5.882 -9.280 -6.715 1.00 0.00 C ATOM 1456 C GLN A 90 -6.820 -10.084 -5.813 1.00 0.00 C ATOM 1457 O GLN A 90 -7.363 -11.106 -6.229 1.00 0.00 O ATOM 1458 CB GLN A 90 -4.691 -10.129 -7.163 1.00 0.00 C ATOM 1459 CG GLN A 90 -4.468 -10.007 -8.671 1.00 0.00 C ATOM 1460 CD GLN A 90 -5.652 -10.583 -9.450 1.00 0.00 C ATOM 1461 OE1 GLN A 90 -5.854 -11.783 -9.526 1.00 0.00 O ATOM 1462 NE2 GLN A 90 -6.422 -9.662 -10.022 1.00 0.00 N ATOM 0 H GLN A 90 -4.748 -8.233 -5.299 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.433 -8.986 -7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.793 -9.812 -6.632 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.864 -11.173 -6.901 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.328 -8.959 -8.938 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.555 -10.532 -8.951 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.196 -8.673 -9.919 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.239 -9.945 -10.564 1.00 0.00 H new ATOM 1471 N ARG A 91 -6.983 -9.592 -4.593 1.00 0.00 N ATOM 1472 CA ARG A 91 -7.847 -10.253 -3.629 1.00 0.00 C ATOM 1473 C ARG A 91 -7.322 -11.656 -3.321 1.00 0.00 C ATOM 1474 O ARG A 91 -8.041 -12.640 -3.484 1.00 0.00 O ATOM 1475 CB ARG A 91 -9.281 -10.354 -4.152 1.00 0.00 C ATOM 1476 CG ARG A 91 -10.115 -9.153 -3.703 1.00 0.00 C ATOM 1477 CD ARG A 91 -10.671 -8.390 -4.907 1.00 0.00 C ATOM 1478 NE ARG A 91 -12.087 -8.032 -4.669 1.00 0.00 N ATOM 1479 CZ ARG A 91 -12.907 -7.542 -5.609 1.00 0.00 C ATOM 1480 NH1 ARG A 91 -12.457 -7.350 -6.856 1.00 0.00 N ATOM 1481 NH2 ARG A 91 -14.176 -7.244 -5.302 1.00 0.00 N ATOM 0 H ARG A 91 -6.532 -8.744 -4.250 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.847 -9.654 -2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.272 -10.408 -5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.739 -11.275 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.937 -9.492 -3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.502 -8.486 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.083 -7.488 -5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.588 -9.001 -5.806 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.463 -8.167 -3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.490 -7.577 -7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.081 -6.977 -7.572 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.519 -7.390 -4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.800 -6.871 -6.018 1.00 0.00 H new ATOM 1495 N ILE A 92 -6.073 -11.703 -2.880 1.00 0.00 N ATOM 1496 CA ILE A 92 -5.444 -12.970 -2.548 1.00 0.00 C ATOM 1497 C ILE A 92 -5.393 -13.126 -1.027 1.00 0.00 C ATOM 1498 O ILE A 92 -4.984 -12.207 -0.319 1.00 0.00 O ATOM 1499 CB ILE A 92 -4.077 -13.084 -3.225 1.00 0.00 C ATOM 1500 CG1 ILE A 92 -4.226 -13.251 -4.738 1.00 0.00 C ATOM 1501 CG2 ILE A 92 -3.249 -14.209 -2.602 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -3.238 -12.357 -5.489 1.00 0.00 C ATOM 0 H ILE A 92 -5.480 -10.884 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.034 -13.801 -2.934 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.534 -12.154 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.058 -14.293 -5.011 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.245 -13.003 -5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.282 -14.269 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.098 -14.005 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.776 -15.156 -2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.365 -12.496 -6.563 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.424 -11.314 -5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.219 -12.624 -5.207 1.00 0.00 H new ATOM 1514 N ASP A 93 -5.813 -14.296 -0.570 1.00 0.00 N ATOM 1515 CA ASP A 93 -5.820 -14.583 0.855 1.00 0.00 C ATOM 1516 C ASP A 93 -4.479 -14.166 1.462 1.00 0.00 C ATOM 1517 O ASP A 93 -3.436 -14.712 1.104 1.00 0.00 O ATOM 1518 CB ASP A 93 -6.013 -16.078 1.114 1.00 0.00 C ATOM 1519 CG ASP A 93 -7.410 -16.615 0.800 1.00 0.00 C ATOM 1520 OD1 ASP A 93 -8.308 -16.386 1.638 1.00 0.00 O ATOM 1521 OD2 ASP A 93 -7.549 -17.243 -0.272 1.00 0.00 O ATOM 0 H ASP A 93 -6.151 -15.056 -1.160 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.643 -14.030 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.286 -16.631 0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.789 -16.282 2.161 1.00 0.00 H new ATOM 1526 N VAL A 94 -4.549 -13.205 2.369 1.00 0.00 N ATOM 1527 CA VAL A 94 -3.354 -12.709 3.029 1.00 0.00 C ATOM 1528 C VAL A 94 -3.564 -12.732 4.545 1.00 0.00 C ATOM 1529 O VAL A 94 -4.674 -12.977 5.016 1.00 0.00 O ATOM 1530 CB VAL A 94 -2.999 -11.319 2.496 1.00 0.00 C ATOM 1531 CG1 VAL A 94 -2.372 -11.409 1.103 1.00 0.00 C ATOM 1532 CG2 VAL A 94 -4.227 -10.407 2.487 1.00 0.00 C ATOM 0 H VAL A 94 -5.416 -12.755 2.663 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.503 -13.354 2.810 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.260 -10.881 3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.129 -10.407 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.462 -12.007 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.077 -11.877 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.948 -9.425 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.997 -10.840 1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.612 -10.305 3.502 1.00 0.00 H new ATOM 1542 N LYS A 95 -2.483 -12.474 5.264 1.00 0.00 N ATOM 1543 CA LYS A 95 -2.536 -12.463 6.717 1.00 0.00 C ATOM 1544 C LYS A 95 -1.296 -11.752 7.263 1.00 0.00 C ATOM 1545 O LYS A 95 -1.395 -10.939 8.180 1.00 0.00 O ATOM 1546 CB LYS A 95 -2.719 -13.883 7.257 1.00 0.00 C ATOM 1547 CG LYS A 95 -1.955 -14.897 6.405 1.00 0.00 C ATOM 1548 CD LYS A 95 -2.916 -15.763 5.590 1.00 0.00 C ATOM 1549 CE LYS A 95 -2.493 -17.234 5.625 1.00 0.00 C ATOM 1550 NZ LYS A 95 -3.432 -18.023 6.454 1.00 0.00 N ATOM 0 H LYS A 95 -1.565 -12.271 4.869 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.404 -11.901 7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.368 -13.932 8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.779 -14.138 7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.274 -14.374 5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.345 -15.531 7.048 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.927 -15.662 5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.941 -15.413 4.558 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.467 -17.635 4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.484 -17.319 6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.131 -19.018 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.436 -17.649 7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.389 -17.956 6.053 1.00 0.00 H new ATOM 1564 N ASP A 96 -0.156 -12.085 6.674 1.00 0.00 N ATOM 1565 CA ASP A 96 1.102 -11.488 7.090 1.00 0.00 C ATOM 1566 C ASP A 96 1.943 -11.166 5.853 1.00 0.00 C ATOM 1567 O ASP A 96 1.729 -11.740 4.786 1.00 0.00 O ATOM 1568 CB ASP A 96 1.904 -12.450 7.969 1.00 0.00 C ATOM 1569 CG ASP A 96 1.902 -13.908 7.502 1.00 0.00 C ATOM 1570 OD1 ASP A 96 0.788 -14.455 7.357 1.00 0.00 O ATOM 1571 OD2 ASP A 96 3.014 -14.440 7.301 1.00 0.00 O ATOM 0 H ASP A 96 -0.078 -12.760 5.913 1.00 0.00 H new ATOM 0 HA ASP A 96 0.875 -10.585 7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.935 -12.101 8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.507 -12.409 8.983 1.00 0.00 H new ATOM 1576 N THR A 97 2.881 -10.249 6.037 1.00 0.00 N ATOM 1577 CA THR A 97 3.755 -9.844 4.948 1.00 0.00 C ATOM 1578 C THR A 97 4.549 -11.043 4.427 1.00 0.00 C ATOM 1579 O THR A 97 4.812 -11.145 3.230 1.00 0.00 O ATOM 1580 CB THR A 97 4.640 -8.703 5.453 1.00 0.00 C ATOM 1581 OG1 THR A 97 5.226 -9.219 6.644 1.00 0.00 O ATOM 1582 CG2 THR A 97 3.827 -7.497 5.929 1.00 0.00 C ATOM 0 H THR A 97 3.055 -9.775 6.923 1.00 0.00 H new ATOM 0 HA THR A 97 3.182 -9.479 4.096 1.00 0.00 H new ATOM 0 HB THR A 97 5.319 -8.392 4.659 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.208 -8.531 7.342 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.504 -6.716 6.277 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.226 -7.115 5.104 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.172 -7.799 6.746 1.00 0.00 H new ATOM 1590 N LYS A 98 4.907 -11.923 5.351 1.00 0.00 N ATOM 1591 CA LYS A 98 5.664 -13.111 4.999 1.00 0.00 C ATOM 1592 C LYS A 98 4.770 -14.066 4.206 1.00 0.00 C ATOM 1593 O LYS A 98 5.208 -14.659 3.221 1.00 0.00 O ATOM 1594 CB LYS A 98 6.281 -13.743 6.249 1.00 0.00 C ATOM 1595 CG LYS A 98 7.709 -14.220 5.975 1.00 0.00 C ATOM 1596 CD LYS A 98 7.713 -15.643 5.413 1.00 0.00 C ATOM 1597 CE LYS A 98 8.537 -16.580 6.299 1.00 0.00 C ATOM 1598 NZ LYS A 98 7.856 -17.886 6.448 1.00 0.00 N ATOM 0 H LYS A 98 4.686 -11.836 6.343 1.00 0.00 H new ATOM 0 HA LYS A 98 6.503 -12.850 4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.286 -13.018 7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.669 -14.584 6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.193 -13.545 5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.290 -14.187 6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.690 -16.012 5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.123 -15.638 4.403 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.525 -16.726 5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.685 -16.127 7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.429 -18.509 7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.923 -17.743 6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.737 -18.324 5.512 1.00 0.00 H new ATOM 1612 N GLU A 99 3.532 -14.184 4.664 1.00 0.00 N ATOM 1613 CA GLU A 99 2.571 -15.056 4.009 1.00 0.00 C ATOM 1614 C GLU A 99 2.208 -14.504 2.629 1.00 0.00 C ATOM 1615 O GLU A 99 1.933 -15.266 1.704 1.00 0.00 O ATOM 1616 CB GLU A 99 1.322 -15.241 4.873 1.00 0.00 C ATOM 1617 CG GLU A 99 0.243 -16.016 4.115 1.00 0.00 C ATOM 1618 CD GLU A 99 0.649 -17.478 3.924 1.00 0.00 C ATOM 1619 OE1 GLU A 99 1.371 -17.987 4.810 1.00 0.00 O ATOM 1620 OE2 GLU A 99 0.231 -18.056 2.897 1.00 0.00 O ATOM 0 H GLU A 99 3.172 -13.690 5.481 1.00 0.00 H new ATOM 0 HA GLU A 99 3.029 -16.036 3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.583 -15.774 5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.934 -14.267 5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.698 -15.965 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.072 -15.552 3.143 1.00 0.00 H new ATOM 1627 N ALA A 100 2.219 -13.182 2.534 1.00 0.00 N ATOM 1628 CA ALA A 100 1.894 -12.519 1.283 1.00 0.00 C ATOM 1629 C ALA A 100 3.029 -12.742 0.282 1.00 0.00 C ATOM 1630 O ALA A 100 2.789 -13.145 -0.855 1.00 0.00 O ATOM 1631 CB ALA A 100 1.630 -11.034 1.545 1.00 0.00 C ATOM 0 H ALA A 100 2.448 -12.553 3.303 1.00 0.00 H new ATOM 0 HA ALA A 100 0.986 -12.940 0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.386 -10.537 0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.795 -10.930 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.520 -10.577 1.977 1.00 0.00 H new ATOM 1637 N LEU A 101 4.242 -12.471 0.741 1.00 0.00 N ATOM 1638 CA LEU A 101 5.416 -12.637 -0.099 1.00 0.00 C ATOM 1639 C LEU A 101 5.598 -14.121 -0.426 1.00 0.00 C ATOM 1640 O LEU A 101 6.044 -14.469 -1.518 1.00 0.00 O ATOM 1641 CB LEU A 101 6.640 -11.998 0.558 1.00 0.00 C ATOM 1642 CG LEU A 101 7.649 -11.349 -0.392 1.00 0.00 C ATOM 1643 CD1 LEU A 101 7.047 -10.120 -1.075 1.00 0.00 C ATOM 1644 CD2 LEU A 101 8.954 -11.019 0.335 1.00 0.00 C ATOM 0 H LEU A 101 4.437 -12.137 1.685 1.00 0.00 H new ATOM 0 HA LEU A 101 5.283 -12.115 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.296 -11.241 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.157 -12.762 1.138 1.00 0.00 H new ATOM 0 HG LEU A 101 7.890 -12.067 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.785 -9.678 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.168 -10.416 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.758 -9.389 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.653 -10.559 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.750 -10.328 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.390 -11.935 0.734 1.00 0.00 H new ATOM 1656 N ASP A 102 5.241 -14.955 0.540 1.00 0.00 N ATOM 1657 CA ASP A 102 5.359 -16.393 0.369 1.00 0.00 C ATOM 1658 C ASP A 102 4.303 -16.872 -0.628 1.00 0.00 C ATOM 1659 O ASP A 102 4.587 -17.706 -1.486 1.00 0.00 O ATOM 1660 CB ASP A 102 5.128 -17.126 1.692 1.00 0.00 C ATOM 1661 CG ASP A 102 5.436 -18.624 1.663 1.00 0.00 C ATOM 1662 OD1 ASP A 102 6.555 -18.966 1.224 1.00 0.00 O ATOM 1663 OD2 ASP A 102 4.545 -19.394 2.081 1.00 0.00 O ATOM 0 H ASP A 102 4.870 -14.662 1.444 1.00 0.00 H new ATOM 0 HA ASP A 102 6.365 -16.608 0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.743 -16.659 2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.088 -16.990 1.989 1.00 0.00 H new ATOM 1668 N LYS A 103 3.105 -16.324 -0.481 1.00 0.00 N ATOM 1669 CA LYS A 103 2.004 -16.685 -1.358 1.00 0.00 C ATOM 1670 C LYS A 103 2.348 -16.283 -2.793 1.00 0.00 C ATOM 1671 O LYS A 103 2.208 -17.083 -3.718 1.00 0.00 O ATOM 1672 CB LYS A 103 0.693 -16.084 -0.848 1.00 0.00 C ATOM 1673 CG LYS A 103 -0.502 -16.634 -1.627 1.00 0.00 C ATOM 1674 CD LYS A 103 -1.088 -17.865 -0.933 1.00 0.00 C ATOM 1675 CE LYS A 103 -2.590 -17.698 -0.695 1.00 0.00 C ATOM 1676 NZ LYS A 103 -3.318 -18.925 -1.089 1.00 0.00 N ATOM 0 H LYS A 103 2.873 -15.633 0.232 1.00 0.00 H new ATOM 0 HA LYS A 103 1.854 -17.765 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.575 -16.308 0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.725 -14.999 -0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -1.268 -15.864 -1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.192 -16.895 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.909 -18.750 -1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.581 -18.026 0.018 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -2.775 -17.480 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -2.962 -16.848 -1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.336 -18.794 -0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -3.156 -19.116 -2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.975 -19.729 -0.525 1.00 0.00 H new ATOM 1690 N ILE A 104 2.791 -15.042 -2.936 1.00 0.00 N ATOM 1691 CA ILE A 104 3.156 -14.523 -4.244 1.00 0.00 C ATOM 1692 C ILE A 104 4.387 -15.272 -4.759 1.00 0.00 C ATOM 1693 O ILE A 104 4.515 -15.512 -5.959 1.00 0.00 O ATOM 1694 CB ILE A 104 3.340 -13.005 -4.186 1.00 0.00 C ATOM 1695 CG1 ILE A 104 2.804 -12.340 -5.455 1.00 0.00 C ATOM 1696 CG2 ILE A 104 4.801 -12.639 -3.919 1.00 0.00 C ATOM 1697 CD1 ILE A 104 1.406 -11.764 -5.225 1.00 0.00 C ATOM 0 H ILE A 104 2.905 -14.381 -2.168 1.00 0.00 H new ATOM 0 HA ILE A 104 2.353 -14.696 -4.960 1.00 0.00 H new ATOM 0 HB ILE A 104 2.755 -12.621 -3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.482 -11.545 -5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.772 -13.068 -6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.904 -11.554 -3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.115 -13.065 -2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.427 -13.036 -4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.049 -11.297 -6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.725 -12.565 -4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.446 -11.019 -4.431 1.00 0.00 H new ATOM 1709 N GLU A 105 5.262 -15.620 -3.827 1.00 0.00 N ATOM 1710 CA GLU A 105 6.478 -16.337 -4.172 1.00 0.00 C ATOM 1711 C GLU A 105 6.140 -17.728 -4.710 1.00 0.00 C ATOM 1712 O GLU A 105 6.762 -18.198 -5.662 1.00 0.00 O ATOM 1713 CB GLU A 105 7.420 -16.429 -2.970 1.00 0.00 C ATOM 1714 CG GLU A 105 8.658 -17.262 -3.305 1.00 0.00 C ATOM 1715 CD GLU A 105 8.529 -18.684 -2.755 1.00 0.00 C ATOM 1716 OE1 GLU A 105 8.085 -18.803 -1.593 1.00 0.00 O ATOM 1717 OE2 GLU A 105 8.876 -19.619 -3.509 1.00 0.00 O ATOM 0 H GLU A 105 5.153 -15.419 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 105 6.994 -15.781 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.723 -15.428 -2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.895 -16.875 -2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.795 -17.298 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.545 -16.786 -2.887 1.00 0.00 H new