USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.03 K(o=-1,f=-1.6!) USER MOD Single : A 18 ASN : amide:sc= -6.12! C(o=-6.1!,f=-9.4!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -43:sc= 1.26 USER MOD Single : A 37 SER OG : rot -170:sc= 0.573 USER MOD Single : A 39 SER OG : rot -70:sc= -0.0178 USER MOD Single : A 41 TYR OH : rot 150:sc= -0.968 USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0936) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= -0.442 (180deg=-0.598) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.48! K(o=-1.5!,f=-0.93) USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0265) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= -0.382 (180deg=-1.25) USER MOD Single : A 72 HIS : no HD1:sc= -3.5! K(o=-3.5!,f=-2.1) USER MOD Single : A 78 ASN : amide:sc= -4.56! C(o=-4.6!,f=-15!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 95 CYS SG : rot -71:sc= -2.35 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.27) USER MOD Single : A 103 SER OG : rot 150:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -59:sc= 0.126 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 9.601 11.837 5.328 1.00 0.00 N ATOM 67 CA VAL A 8 8.468 11.058 4.842 1.00 0.00 C ATOM 68 C VAL A 8 7.299 11.963 4.468 1.00 0.00 C ATOM 69 O VAL A 8 7.121 13.036 5.046 1.00 0.00 O ATOM 70 CB VAL A 8 7.995 10.038 5.895 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.546 10.748 7.163 1.00 0.00 C ATOM 72 CG2 VAL A 8 6.877 9.173 5.334 1.00 0.00 C ATOM 0 HA VAL A 8 8.809 10.523 3.956 1.00 0.00 H new ATOM 0 HB VAL A 8 8.833 9.389 6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.215 10.011 7.895 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.378 11.320 7.574 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.722 11.423 6.930 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.555 8.458 6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.035 9.805 5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.238 8.635 4.458 1.00 0.00 H new ATOM 82 N ILE A 9 6.506 11.524 3.497 1.00 0.00 N ATOM 83 CA ILE A 9 5.353 12.294 3.046 1.00 0.00 C ATOM 84 C ILE A 9 4.124 11.994 3.898 1.00 0.00 C ATOM 85 O ILE A 9 3.382 12.901 4.276 1.00 0.00 O ATOM 86 CB ILE A 9 5.024 12.002 1.570 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.275 12.161 0.704 1.00 0.00 C ATOM 88 CG2 ILE A 9 3.915 12.923 1.083 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.117 11.607 -0.694 1.00 0.00 C ATOM 0 H ILE A 9 6.640 10.639 3.007 1.00 0.00 H new ATOM 0 HA ILE A 9 5.616 13.347 3.150 1.00 0.00 H new ATOM 0 HB ILE A 9 4.677 10.972 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.531 13.219 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.111 11.660 1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.693 12.705 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.020 12.764 1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.236 13.960 1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.043 11.754 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.892 10.542 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.303 12.125 -1.201 1.00 0.00 H new ATOM 101 N ARG A 10 3.917 10.716 4.198 1.00 0.00 N ATOM 102 CA ARG A 10 2.778 10.296 5.007 1.00 0.00 C ATOM 103 C ARG A 10 3.089 9.002 5.753 1.00 0.00 C ATOM 104 O ARG A 10 3.811 8.142 5.249 1.00 0.00 O ATOM 105 CB ARG A 10 1.542 10.106 4.126 1.00 0.00 C ATOM 106 CG ARG A 10 0.267 9.852 4.912 1.00 0.00 C ATOM 107 CD ARG A 10 -0.449 11.151 5.247 1.00 0.00 C ATOM 108 NE ARG A 10 0.083 11.774 6.456 1.00 0.00 N ATOM 109 CZ ARG A 10 -0.593 12.652 7.189 1.00 0.00 C ATOM 110 NH1 ARG A 10 -1.820 13.008 6.838 1.00 0.00 N ATOM 111 NH2 ARG A 10 -0.040 13.175 8.276 1.00 0.00 N ATOM 0 H ARG A 10 4.522 9.954 3.893 1.00 0.00 H new ATOM 0 HA ARG A 10 2.576 11.078 5.740 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.407 10.994 3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.714 9.269 3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.396 9.208 4.334 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.506 9.319 5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.354 11.843 4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.513 10.955 5.379 1.00 0.00 H new ATOM 0 HE ARG A 10 1.025 11.521 6.754 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.248 12.608 6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.337 13.682 7.403 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.904 12.903 8.549 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.559 13.849 8.838 1.00 0.00 H new ATOM 125 N ARG A 11 2.539 8.872 6.956 1.00 0.00 N ATOM 126 CA ARG A 11 2.758 7.684 7.771 1.00 0.00 C ATOM 127 C ARG A 11 1.481 7.284 8.505 1.00 0.00 C ATOM 128 O ARG A 11 0.669 8.135 8.866 1.00 0.00 O ATOM 129 CB ARG A 11 3.882 7.932 8.779 1.00 0.00 C ATOM 130 CG ARG A 11 5.252 8.086 8.139 1.00 0.00 C ATOM 131 CD ARG A 11 6.366 7.763 9.121 1.00 0.00 C ATOM 132 NE ARG A 11 6.299 8.596 10.319 1.00 0.00 N ATOM 133 CZ ARG A 11 7.310 8.748 11.167 1.00 0.00 C ATOM 134 NH1 ARG A 11 8.461 8.127 10.949 1.00 0.00 N ATOM 135 NH2 ARG A 11 7.171 9.524 12.234 1.00 0.00 N ATOM 0 H ARG A 11 1.939 9.575 7.387 1.00 0.00 H new ATOM 0 HA ARG A 11 3.046 6.868 7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.654 8.832 9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.912 7.104 9.487 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.326 7.427 7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.372 9.106 7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.305 6.713 9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.331 7.905 8.634 1.00 0.00 H new ATOM 0 HE ARG A 11 5.427 9.088 10.515 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.572 7.531 10.129 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.236 8.245 11.602 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.287 10.004 12.404 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.948 9.640 12.885 1.00 0.00 H new ATOM 149 N GLY A 12 1.312 5.984 8.722 1.00 0.00 N ATOM 150 CA GLY A 12 0.132 5.494 9.411 1.00 0.00 C ATOM 151 C GLY A 12 0.068 3.980 9.449 1.00 0.00 C ATOM 152 O GLY A 12 0.866 3.303 8.801 1.00 0.00 O ATOM 0 H GLY A 12 1.971 5.261 8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.124 5.880 10.430 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.760 5.880 8.917 1.00 0.00 H new ATOM 156 N TRP A 13 -0.881 3.449 10.210 1.00 0.00 N ATOM 157 CA TRP A 13 -1.044 2.004 10.331 1.00 0.00 C ATOM 158 C TRP A 13 -2.114 1.495 9.372 1.00 0.00 C ATOM 159 O TRP A 13 -3.303 1.763 9.554 1.00 0.00 O ATOM 160 CB TRP A 13 -1.409 1.630 11.768 1.00 0.00 C ATOM 161 CG TRP A 13 -0.292 1.852 12.742 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.083 3.040 13.302 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.596 0.860 13.269 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.150 2.846 14.145 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.483 1.518 14.143 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.726 -0.519 13.089 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.486 0.841 14.833 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.722 -1.189 13.774 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.591 -0.509 14.637 1.00 0.00 C ATOM 0 H TRP A 13 -1.549 3.996 10.753 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.096 1.533 10.071 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.274 2.215 12.079 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.705 0.581 11.799 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.390 3.992 13.110 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.618 3.574 14.685 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.060 -1.052 12.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.157 1.363 15.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.832 -2.255 13.642 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.359 -1.061 15.158 1.00 0.00 H new ATOM 180 N LEU A 14 -1.687 0.760 8.351 1.00 0.00 N ATOM 181 CA LEU A 14 -2.610 0.213 7.363 1.00 0.00 C ATOM 182 C LEU A 14 -2.809 -1.285 7.574 1.00 0.00 C ATOM 183 O LEU A 14 -2.175 -1.891 8.440 1.00 0.00 O ATOM 184 CB LEU A 14 -2.089 0.475 5.949 1.00 0.00 C ATOM 185 CG LEU A 14 -2.353 1.872 5.386 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.557 2.091 4.108 1.00 0.00 C ATOM 187 CD2 LEU A 14 -3.840 2.073 5.131 1.00 0.00 C ATOM 0 H LEU A 14 -0.707 0.529 8.186 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.572 0.710 7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.013 0.299 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.537 -0.257 5.277 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.029 2.607 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.757 3.090 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.493 1.991 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.850 1.349 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.009 3.073 4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.190 1.331 4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.388 1.960 6.066 1.00 0.00 H new ATOM 199 N THR A 15 -3.691 -1.878 6.776 1.00 0.00 N ATOM 200 CA THR A 15 -3.972 -3.305 6.874 1.00 0.00 C ATOM 201 C THR A 15 -4.051 -3.946 5.493 1.00 0.00 C ATOM 202 O THR A 15 -4.906 -3.591 4.682 1.00 0.00 O ATOM 203 CB THR A 15 -5.291 -3.567 7.625 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.259 -2.931 8.908 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.527 -5.060 7.799 1.00 0.00 C ATOM 0 H THR A 15 -4.223 -1.392 6.054 1.00 0.00 H new ATOM 0 HA THR A 15 -3.149 -3.752 7.432 1.00 0.00 H new ATOM 0 HB THR A 15 -6.108 -3.152 7.035 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.102 -3.101 9.378 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.464 -5.221 8.332 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.580 -5.537 6.820 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.706 -5.494 8.370 1.00 0.00 H new ATOM 213 N ILE A 16 -3.155 -4.892 5.233 1.00 0.00 N ATOM 214 CA ILE A 16 -3.125 -5.584 3.951 1.00 0.00 C ATOM 215 C ILE A 16 -4.204 -6.659 3.881 1.00 0.00 C ATOM 216 O ILE A 16 -4.009 -7.780 4.348 1.00 0.00 O ATOM 217 CB ILE A 16 -1.752 -6.233 3.693 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.633 -5.211 3.905 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.694 -6.805 2.284 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.754 -5.812 3.840 1.00 0.00 C ATOM 0 H ILE A 16 -2.440 -5.197 5.894 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.313 -4.833 3.183 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.613 -7.049 4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.718 -4.430 3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.768 -4.732 4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.718 -7.260 2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.472 -7.559 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.851 -6.005 1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.497 -5.030 3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.857 -6.573 4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.908 -6.266 2.861 1.00 0.00 H new ATOM 232 N ASN A 17 -5.343 -6.309 3.292 1.00 0.00 N ATOM 233 CA ASN A 17 -6.454 -7.245 3.159 1.00 0.00 C ATOM 234 C ASN A 17 -6.059 -8.439 2.294 1.00 0.00 C ATOM 235 O ASN A 17 -6.484 -9.566 2.543 1.00 0.00 O ATOM 236 CB ASN A 17 -7.670 -6.542 2.553 1.00 0.00 C ATOM 237 CG ASN A 17 -8.560 -5.914 3.608 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.198 -5.850 4.783 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.731 -5.446 3.193 1.00 0.00 N ATOM 0 H ASN A 17 -5.521 -5.385 2.899 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.711 -7.609 4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.333 -5.771 1.860 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.250 -7.260 1.973 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.371 -5.012 3.858 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.990 -5.520 2.209 1.00 0.00 H new ATOM 246 N ASN A 18 -5.243 -8.181 1.277 1.00 0.00 N ATOM 247 CA ASN A 18 -4.790 -9.234 0.375 1.00 0.00 C ATOM 248 C ASN A 18 -4.104 -10.356 1.149 1.00 0.00 C ATOM 249 O ASN A 18 -4.644 -11.455 1.277 1.00 0.00 O ATOM 250 CB ASN A 18 -3.832 -8.661 -0.671 1.00 0.00 C ATOM 251 CG ASN A 18 -3.717 -9.547 -1.896 1.00 0.00 C ATOM 252 OD1 ASN A 18 -4.016 -10.741 -1.843 1.00 0.00 O ATOM 253 ND2 ASN A 18 -3.282 -8.966 -3.008 1.00 0.00 N ATOM 0 H ASN A 18 -4.882 -7.253 1.057 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.664 -9.646 -0.130 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.177 -7.672 -0.972 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.846 -8.533 -0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.184 -9.512 -3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.046 -7.974 -3.006 1.00 0.00 H new ATOM 395 N GLU A 28 -1.998 -5.910 10.200 1.00 0.00 N ATOM 396 CA GLU A 28 -1.662 -4.493 10.267 1.00 0.00 C ATOM 397 C GLU A 28 -0.156 -4.284 10.135 1.00 0.00 C ATOM 398 O GLU A 28 0.638 -5.068 10.656 1.00 0.00 O ATOM 399 CB GLU A 28 -2.158 -3.889 11.582 1.00 0.00 C ATOM 400 CG GLU A 28 -1.289 -4.238 12.778 1.00 0.00 C ATOM 401 CD GLU A 28 -2.074 -4.294 14.074 1.00 0.00 C ATOM 402 OE1 GLU A 28 -2.633 -5.367 14.383 1.00 0.00 O ATOM 403 OE2 GLU A 28 -2.130 -3.265 14.780 1.00 0.00 O ATOM 0 HA GLU A 28 -2.156 -3.990 9.436 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.203 -2.805 11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.175 -4.234 11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.811 -5.202 12.606 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.493 -3.499 12.872 1.00 0.00 H new ATOM 410 N TYR A 29 0.229 -3.223 9.435 1.00 0.00 N ATOM 411 CA TYR A 29 1.639 -2.912 9.231 1.00 0.00 C ATOM 412 C TYR A 29 1.863 -1.404 9.184 1.00 0.00 C ATOM 413 O TYR A 29 0.988 -0.648 8.761 1.00 0.00 O ATOM 414 CB TYR A 29 2.143 -3.555 7.938 1.00 0.00 C ATOM 415 CG TYR A 29 2.279 -5.058 8.021 1.00 0.00 C ATOM 416 CD1 TYR A 29 1.212 -5.890 7.705 1.00 0.00 C ATOM 417 CD2 TYR A 29 3.474 -5.647 8.418 1.00 0.00 C ATOM 418 CE1 TYR A 29 1.332 -7.265 7.780 1.00 0.00 C ATOM 419 CE2 TYR A 29 3.602 -7.020 8.495 1.00 0.00 C ATOM 420 CZ TYR A 29 2.529 -7.825 8.175 1.00 0.00 C ATOM 421 OH TYR A 29 2.652 -9.193 8.252 1.00 0.00 O ATOM 0 H TYR A 29 -0.416 -2.564 8.999 1.00 0.00 H new ATOM 0 HA TYR A 29 2.200 -3.318 10.073 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.459 -3.305 7.127 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.111 -3.125 7.682 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.273 -5.455 7.396 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.317 -5.020 8.670 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.493 -7.898 7.531 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.538 -7.461 8.804 1.00 0.00 H new ATOM 0 HH TYR A 29 3.558 -9.424 8.545 1.00 0.00 H new ATOM 431 N TRP A 30 3.041 -0.974 9.621 1.00 0.00 N ATOM 432 CA TRP A 30 3.382 0.444 9.628 1.00 0.00 C ATOM 433 C TRP A 30 3.885 0.891 8.260 1.00 0.00 C ATOM 434 O TRP A 30 5.068 0.756 7.948 1.00 0.00 O ATOM 435 CB TRP A 30 4.442 0.729 10.693 1.00 0.00 C ATOM 436 CG TRP A 30 4.907 2.155 10.702 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.109 2.628 10.259 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.177 3.290 11.180 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.170 3.990 10.433 1.00 0.00 N ATOM 440 CE2 TRP A 30 4.998 4.420 10.995 1.00 0.00 C ATOM 441 CE3 TRP A 30 2.911 3.463 11.744 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.591 5.702 11.356 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.509 4.736 12.102 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.346 5.842 11.906 1.00 0.00 C ATOM 0 H TRP A 30 3.776 -1.586 9.975 1.00 0.00 H new ATOM 0 HA TRP A 30 2.479 1.008 9.863 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.037 0.480 11.674 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.299 0.076 10.527 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.895 2.022 9.835 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.961 4.584 10.184 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.258 2.617 11.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.235 6.556 11.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.533 4.881 12.540 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.002 6.824 12.195 1.00 0.00 H new ATOM 455 N PHE A 31 2.979 1.423 7.446 1.00 0.00 N ATOM 456 CA PHE A 31 3.332 1.889 6.110 1.00 0.00 C ATOM 457 C PHE A 31 3.959 3.278 6.166 1.00 0.00 C ATOM 458 O PHE A 31 3.410 4.196 6.776 1.00 0.00 O ATOM 459 CB PHE A 31 2.093 1.912 5.212 1.00 0.00 C ATOM 460 CG PHE A 31 1.758 0.574 4.617 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.181 -0.418 5.393 1.00 0.00 C ATOM 462 CD2 PHE A 31 2.021 0.309 3.283 1.00 0.00 C ATOM 463 CE1 PHE A 31 0.872 -1.651 4.848 1.00 0.00 C ATOM 464 CE2 PHE A 31 1.714 -0.922 2.733 1.00 0.00 C ATOM 465 CZ PHE A 31 1.138 -1.902 3.517 1.00 0.00 C ATOM 0 H PHE A 31 1.995 1.542 7.688 1.00 0.00 H new ATOM 0 HA PHE A 31 4.063 1.197 5.692 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.241 2.266 5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.251 2.629 4.407 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.970 -0.226 6.435 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.471 1.072 2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.423 -2.417 5.463 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.924 -1.117 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.896 -2.864 3.089 1.00 0.00 H new ATOM 475 N VAL A 32 5.114 3.426 5.526 1.00 0.00 N ATOM 476 CA VAL A 32 5.818 4.703 5.502 1.00 0.00 C ATOM 477 C VAL A 32 6.166 5.111 4.075 1.00 0.00 C ATOM 478 O VAL A 32 7.175 4.672 3.520 1.00 0.00 O ATOM 479 CB VAL A 32 7.110 4.648 6.338 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.859 5.969 6.251 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.792 4.300 7.785 1.00 0.00 C ATOM 0 H VAL A 32 5.583 2.677 5.017 1.00 0.00 H new ATOM 0 HA VAL A 32 5.146 5.443 5.935 1.00 0.00 H new ATOM 0 HB VAL A 32 7.753 3.867 5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.769 5.911 6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.119 6.172 5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.227 6.772 6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.716 4.265 8.362 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.130 5.058 8.205 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.302 3.327 7.826 1.00 0.00 H new ATOM 491 N LEU A 33 5.327 5.955 3.485 1.00 0.00 N ATOM 492 CA LEU A 33 5.546 6.425 2.121 1.00 0.00 C ATOM 493 C LEU A 33 6.470 7.638 2.105 1.00 0.00 C ATOM 494 O LEU A 33 6.140 8.691 2.651 1.00 0.00 O ATOM 495 CB LEU A 33 4.212 6.777 1.462 1.00 0.00 C ATOM 496 CG LEU A 33 4.288 7.286 0.022 1.00 0.00 C ATOM 497 CD1 LEU A 33 4.198 6.128 -0.959 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.186 8.300 -0.245 1.00 0.00 C ATOM 0 H LEU A 33 4.488 6.328 3.930 1.00 0.00 H new ATOM 0 HA LEU A 33 6.022 5.622 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.576 5.892 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.719 7.536 2.069 1.00 0.00 H new ATOM 0 HG LEU A 33 5.250 7.780 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.254 6.510 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.023 5.438 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.252 5.605 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.256 8.651 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.215 7.832 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.297 9.145 0.435 1.00 0.00 H new ATOM 510 N THR A 34 7.630 7.483 1.473 1.00 0.00 N ATOM 511 CA THR A 34 8.602 8.566 1.385 1.00 0.00 C ATOM 512 C THR A 34 8.925 8.897 -0.068 1.00 0.00 C ATOM 513 O THR A 34 8.632 8.116 -0.972 1.00 0.00 O ATOM 514 CB THR A 34 9.907 8.210 2.121 1.00 0.00 C ATOM 515 OG1 THR A 34 10.607 7.183 1.409 1.00 0.00 O ATOM 516 CG2 THR A 34 9.619 7.745 3.540 1.00 0.00 C ATOM 0 H THR A 34 7.919 6.619 1.015 1.00 0.00 H new ATOM 0 HA THR A 34 8.151 9.436 1.862 1.00 0.00 H new ATOM 0 HB THR A 34 10.527 9.105 2.168 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.971 6.499 1.112 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.556 7.499 4.040 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.113 8.540 4.088 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.981 6.862 3.511 1.00 0.00 H new ATOM 524 N ALA A 35 9.531 10.060 -0.284 1.00 0.00 N ATOM 525 CA ALA A 35 9.896 10.493 -1.627 1.00 0.00 C ATOM 526 C ALA A 35 10.771 9.453 -2.320 1.00 0.00 C ATOM 527 O ALA A 35 10.755 9.334 -3.545 1.00 0.00 O ATOM 528 CB ALA A 35 10.612 11.835 -1.573 1.00 0.00 C ATOM 0 H ALA A 35 9.779 10.719 0.454 1.00 0.00 H new ATOM 0 HA ALA A 35 8.980 10.605 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.879 12.146 -2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.955 12.580 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.516 11.741 -0.972 1.00 0.00 H new ATOM 534 N GLU A 36 11.532 8.704 -1.529 1.00 0.00 N ATOM 535 CA GLU A 36 12.414 7.676 -2.068 1.00 0.00 C ATOM 536 C GLU A 36 11.621 6.435 -2.470 1.00 0.00 C ATOM 537 O GLU A 36 11.582 6.063 -3.643 1.00 0.00 O ATOM 538 CB GLU A 36 13.484 7.300 -1.041 1.00 0.00 C ATOM 539 CG GLU A 36 14.505 8.397 -0.797 1.00 0.00 C ATOM 540 CD GLU A 36 15.832 7.859 -0.298 1.00 0.00 C ATOM 541 OE1 GLU A 36 16.484 7.099 -1.045 1.00 0.00 O ATOM 542 OE2 GLU A 36 16.219 8.198 0.840 1.00 0.00 O ATOM 0 H GLU A 36 11.556 8.790 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 36 12.900 8.080 -2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.998 7.051 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.001 6.403 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.666 8.950 -1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.107 9.103 -0.069 1.00 0.00 H new ATOM 549 N SER A 37 10.991 5.799 -1.488 1.00 0.00 N ATOM 550 CA SER A 37 10.202 4.598 -1.737 1.00 0.00 C ATOM 551 C SER A 37 9.182 4.377 -0.625 1.00 0.00 C ATOM 552 O SER A 37 9.131 5.133 0.347 1.00 0.00 O ATOM 553 CB SER A 37 11.117 3.377 -1.856 1.00 0.00 C ATOM 554 OG SER A 37 11.754 3.096 -0.622 1.00 0.00 O ATOM 0 H SER A 37 11.011 6.095 -0.512 1.00 0.00 H new ATOM 0 HA SER A 37 9.665 4.734 -2.676 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.535 2.512 -2.174 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.869 3.555 -2.625 1.00 0.00 H new ATOM 0 HG SER A 37 12.443 2.413 -0.758 1.00 0.00 H new ATOM 560 N LEU A 38 8.370 3.336 -0.774 1.00 0.00 N ATOM 561 CA LEU A 38 7.350 3.014 0.218 1.00 0.00 C ATOM 562 C LEU A 38 7.642 1.673 0.884 1.00 0.00 C ATOM 563 O LEU A 38 7.651 0.632 0.229 1.00 0.00 O ATOM 564 CB LEU A 38 5.967 2.981 -0.436 1.00 0.00 C ATOM 565 CG LEU A 38 4.909 2.134 0.273 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.479 2.797 1.573 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.710 1.909 -0.635 1.00 0.00 C ATOM 0 H LEU A 38 8.398 2.701 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 38 7.365 3.790 0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.597 4.004 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.078 2.610 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 38 5.346 1.164 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.726 2.181 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.343 2.906 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.060 3.780 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.967 1.305 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.272 2.870 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.030 1.391 -1.539 1.00 0.00 H new ATOM 579 N SER A 39 7.878 1.707 2.192 1.00 0.00 N ATOM 580 CA SER A 39 8.173 0.495 2.947 1.00 0.00 C ATOM 581 C SER A 39 7.214 0.343 4.124 1.00 0.00 C ATOM 582 O SER A 39 6.685 1.327 4.639 1.00 0.00 O ATOM 583 CB SER A 39 9.617 0.521 3.451 1.00 0.00 C ATOM 584 OG SER A 39 10.138 -0.791 3.574 1.00 0.00 O ATOM 0 H SER A 39 7.871 2.561 2.750 1.00 0.00 H new ATOM 0 HA SER A 39 8.044 -0.359 2.282 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.235 1.098 2.763 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.659 1.024 4.417 1.00 0.00 H new ATOM 0 HG SER A 39 9.699 -1.248 4.322 1.00 0.00 H new ATOM 590 N TRP A 40 6.996 -0.898 4.544 1.00 0.00 N ATOM 591 CA TRP A 40 6.101 -1.181 5.661 1.00 0.00 C ATOM 592 C TRP A 40 6.834 -1.928 6.770 1.00 0.00 C ATOM 593 O TRP A 40 7.396 -3.000 6.543 1.00 0.00 O ATOM 594 CB TRP A 40 4.901 -2.001 5.184 1.00 0.00 C ATOM 595 CG TRP A 40 5.272 -3.100 4.235 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.562 -4.396 4.555 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.394 -2.999 2.812 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.857 -5.107 3.417 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.760 -4.273 2.334 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.228 -1.958 1.895 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.964 -4.529 0.981 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.430 -2.214 0.552 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.794 -3.491 0.105 1.00 0.00 C ATOM 0 H TRP A 40 7.426 -1.724 4.128 1.00 0.00 H new ATOM 0 HA TRP A 40 5.747 -0.231 6.061 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.398 -2.432 6.049 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.186 -1.337 4.698 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.560 -4.802 5.556 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.108 -6.095 3.384 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.947 -0.970 2.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.247 -5.512 0.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.305 -1.416 -0.165 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.943 -3.660 -0.951 1.00 0.00 H new ATOM 614 N TYR A 41 6.824 -1.356 7.969 1.00 0.00 N ATOM 615 CA TYR A 41 7.490 -1.967 9.113 1.00 0.00 C ATOM 616 C TYR A 41 6.471 -2.518 10.106 1.00 0.00 C ATOM 617 O TYR A 41 5.266 -2.502 9.851 1.00 0.00 O ATOM 618 CB TYR A 41 8.395 -0.948 9.807 1.00 0.00 C ATOM 619 CG TYR A 41 9.217 -0.116 8.848 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.616 0.839 8.036 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.592 -0.285 8.752 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.362 1.601 7.158 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.346 0.474 7.878 1.00 0.00 C ATOM 624 CZ TYR A 41 10.727 1.415 7.083 1.00 0.00 C ATOM 625 OH TYR A 41 11.474 2.172 6.210 1.00 0.00 O ATOM 0 H TYR A 41 6.362 -0.470 8.174 1.00 0.00 H new ATOM 0 HA TYR A 41 8.099 -2.794 8.748 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.781 -0.285 10.416 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.066 -1.474 10.486 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.548 0.988 8.093 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.080 -1.023 9.371 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.879 2.338 6.534 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.415 0.331 7.818 1.00 0.00 H new ATOM 0 HH TYR A 41 12.376 2.294 6.572 1.00 0.00 H new ATOM 635 N LYS A 42 6.963 -3.004 11.240 1.00 0.00 N ATOM 636 CA LYS A 42 6.099 -3.559 12.274 1.00 0.00 C ATOM 637 C LYS A 42 5.672 -2.479 13.264 1.00 0.00 C ATOM 638 O LYS A 42 4.545 -2.489 13.760 1.00 0.00 O ATOM 639 CB LYS A 42 6.816 -4.690 13.015 1.00 0.00 C ATOM 640 CG LYS A 42 5.894 -5.820 13.438 1.00 0.00 C ATOM 641 CD LYS A 42 5.318 -5.581 14.824 1.00 0.00 C ATOM 642 CE LYS A 42 3.960 -6.248 14.986 1.00 0.00 C ATOM 643 NZ LYS A 42 2.894 -5.523 14.241 1.00 0.00 N ATOM 0 H LYS A 42 7.957 -3.025 11.466 1.00 0.00 H new ATOM 0 HA LYS A 42 5.207 -3.958 11.791 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.600 -5.093 12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.305 -4.281 13.899 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.082 -5.917 12.717 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.443 -6.762 13.429 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.006 -5.966 15.576 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.222 -4.510 14.999 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.016 -7.277 14.631 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.700 -6.290 16.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.961 -5.843 14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.988 -4.501 14.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.987 -5.718 13.224 1.00 0.00 H new ATOM 657 N ASP A 43 6.578 -1.549 13.545 1.00 0.00 N ATOM 658 CA ASP A 43 6.295 -0.461 14.473 1.00 0.00 C ATOM 659 C ASP A 43 6.614 0.890 13.840 1.00 0.00 C ATOM 660 O ASP A 43 7.086 0.958 12.706 1.00 0.00 O ATOM 661 CB ASP A 43 7.100 -0.638 15.761 1.00 0.00 C ATOM 662 CG ASP A 43 8.535 -1.046 15.495 1.00 0.00 C ATOM 663 OD1 ASP A 43 9.312 -0.200 15.004 1.00 0.00 O ATOM 664 OD2 ASP A 43 8.883 -2.212 15.779 1.00 0.00 O ATOM 0 H ASP A 43 7.515 -1.527 13.143 1.00 0.00 H new ATOM 0 HA ASP A 43 5.232 -0.488 14.712 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.089 0.295 16.324 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.621 -1.392 16.385 1.00 0.00 H new ATOM 669 N GLU A 44 6.352 1.962 14.581 1.00 0.00 N ATOM 670 CA GLU A 44 6.610 3.311 14.091 1.00 0.00 C ATOM 671 C GLU A 44 8.101 3.634 14.148 1.00 0.00 C ATOM 672 O GLU A 44 8.568 4.568 13.498 1.00 0.00 O ATOM 673 CB GLU A 44 5.823 4.335 14.911 1.00 0.00 C ATOM 674 CG GLU A 44 4.336 4.036 14.991 1.00 0.00 C ATOM 675 CD GLU A 44 3.709 4.535 16.279 1.00 0.00 C ATOM 676 OE1 GLU A 44 4.020 5.673 16.689 1.00 0.00 O ATOM 677 OE2 GLU A 44 2.907 3.787 16.877 1.00 0.00 O ATOM 0 H GLU A 44 5.961 1.923 15.522 1.00 0.00 H new ATOM 0 HA GLU A 44 6.284 3.361 13.052 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.233 4.372 15.920 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.963 5.324 14.474 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.830 4.497 14.143 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.181 2.960 14.909 1.00 0.00 H new ATOM 684 N GLU A 45 8.840 2.855 14.931 1.00 0.00 N ATOM 685 CA GLU A 45 10.277 3.060 15.074 1.00 0.00 C ATOM 686 C GLU A 45 11.016 2.627 13.812 1.00 0.00 C ATOM 687 O GLU A 45 12.127 3.083 13.545 1.00 0.00 O ATOM 688 CB GLU A 45 10.807 2.283 16.281 1.00 0.00 C ATOM 689 CG GLU A 45 10.608 3.003 17.604 1.00 0.00 C ATOM 690 CD GLU A 45 11.718 3.991 17.904 1.00 0.00 C ATOM 691 OE1 GLU A 45 12.879 3.708 17.540 1.00 0.00 O ATOM 692 OE2 GLU A 45 11.426 5.047 18.503 1.00 0.00 O ATOM 0 H GLU A 45 8.468 2.077 15.476 1.00 0.00 H new ATOM 0 HA GLU A 45 10.453 4.124 15.230 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.309 1.314 16.326 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.870 2.089 16.139 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.653 3.529 17.587 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.553 2.269 18.408 1.00 0.00 H new ATOM 699 N GLU A 46 10.391 1.743 13.040 1.00 0.00 N ATOM 700 CA GLU A 46 10.990 1.247 11.807 1.00 0.00 C ATOM 701 C GLU A 46 12.310 0.535 12.091 1.00 0.00 C ATOM 702 O GLU A 46 13.270 0.655 11.331 1.00 0.00 O ATOM 703 CB GLU A 46 11.221 2.399 10.827 1.00 0.00 C ATOM 704 CG GLU A 46 9.968 3.205 10.529 1.00 0.00 C ATOM 705 CD GLU A 46 10.278 4.591 9.997 1.00 0.00 C ATOM 706 OE1 GLU A 46 10.776 4.692 8.857 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.022 5.575 10.723 1.00 0.00 O ATOM 0 H GLU A 46 9.470 1.356 13.247 1.00 0.00 H new ATOM 0 HA GLU A 46 10.300 0.532 11.360 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.982 3.064 11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.615 1.997 9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.360 2.668 9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.373 3.294 11.438 1.00 0.00 H new ATOM 714 N LYS A 47 12.349 -0.207 13.193 1.00 0.00 N ATOM 715 CA LYS A 47 13.549 -0.940 13.580 1.00 0.00 C ATOM 716 C LYS A 47 13.846 -2.060 12.588 1.00 0.00 C ATOM 717 O LYS A 47 14.994 -2.265 12.195 1.00 0.00 O ATOM 718 CB LYS A 47 13.386 -1.520 14.987 1.00 0.00 C ATOM 719 CG LYS A 47 13.596 -0.500 16.093 1.00 0.00 C ATOM 720 CD LYS A 47 15.070 -0.193 16.295 1.00 0.00 C ATOM 721 CE LYS A 47 15.291 0.710 17.499 1.00 0.00 C ATOM 722 NZ LYS A 47 16.717 1.120 17.631 1.00 0.00 N ATOM 0 H LYS A 47 11.563 -0.317 13.834 1.00 0.00 H new ATOM 0 HA LYS A 47 14.387 -0.243 13.576 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.387 -1.946 15.082 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.095 -2.337 15.118 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.062 0.418 15.848 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.171 -0.878 17.023 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.621 -1.123 16.431 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.469 0.286 15.401 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.665 1.598 17.407 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.977 0.191 18.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.826 1.734 18.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.312 0.275 17.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.010 1.638 16.778 1.00 0.00 H new ATOM 736 N GLU A 48 12.803 -2.781 12.187 1.00 0.00 N ATOM 737 CA GLU A 48 12.954 -3.879 11.240 1.00 0.00 C ATOM 738 C GLU A 48 12.112 -3.640 9.990 1.00 0.00 C ATOM 739 O GLU A 48 10.892 -3.493 10.068 1.00 0.00 O ATOM 740 CB GLU A 48 12.552 -5.204 11.893 1.00 0.00 C ATOM 741 CG GLU A 48 13.668 -5.849 12.697 1.00 0.00 C ATOM 742 CD GLU A 48 14.805 -6.344 11.823 1.00 0.00 C ATOM 743 OE1 GLU A 48 14.541 -6.712 10.660 1.00 0.00 O ATOM 744 OE2 GLU A 48 15.957 -6.363 12.303 1.00 0.00 O ATOM 0 H GLU A 48 11.846 -2.624 12.503 1.00 0.00 H new ATOM 0 HA GLU A 48 14.003 -3.930 10.946 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.697 -5.033 12.547 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.226 -5.898 11.118 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.055 -5.128 13.417 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.263 -6.684 13.268 1.00 0.00 H new ATOM 751 N LYS A 49 12.772 -3.601 8.838 1.00 0.00 N ATOM 752 CA LYS A 49 12.087 -3.380 7.570 1.00 0.00 C ATOM 753 C LYS A 49 11.596 -4.698 6.980 1.00 0.00 C ATOM 754 O LYS A 49 12.378 -5.625 6.767 1.00 0.00 O ATOM 755 CB LYS A 49 13.019 -2.681 6.578 1.00 0.00 C ATOM 756 CG LYS A 49 12.322 -2.218 5.310 1.00 0.00 C ATOM 757 CD LYS A 49 13.239 -1.368 4.448 1.00 0.00 C ATOM 758 CE LYS A 49 13.434 0.019 5.041 1.00 0.00 C ATOM 759 NZ LYS A 49 14.444 0.809 4.284 1.00 0.00 N ATOM 0 H LYS A 49 13.782 -3.720 8.756 1.00 0.00 H new ATOM 0 HA LYS A 49 11.223 -2.742 7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.476 -1.820 7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.827 -3.362 6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.987 -3.085 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.432 -1.645 5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 49 14.206 -1.861 4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.820 -1.281 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.483 0.551 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.749 -0.072 6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.548 1.748 4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.359 0.314 4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.132 0.918 3.298 1.00 0.00 H new ATOM 773 N LYS A 50 10.296 -4.775 6.717 1.00 0.00 N ATOM 774 CA LYS A 50 9.700 -5.979 6.148 1.00 0.00 C ATOM 775 C LYS A 50 10.064 -6.122 4.674 1.00 0.00 C ATOM 776 O LYS A 50 10.795 -7.036 4.291 1.00 0.00 O ATOM 777 CB LYS A 50 8.178 -5.943 6.308 1.00 0.00 C ATOM 778 CG LYS A 50 7.718 -5.963 7.755 1.00 0.00 C ATOM 779 CD LYS A 50 7.885 -7.340 8.375 1.00 0.00 C ATOM 780 CE LYS A 50 7.827 -7.279 9.893 1.00 0.00 C ATOM 781 NZ LYS A 50 6.426 -7.205 10.393 1.00 0.00 N ATOM 0 H LYS A 50 9.634 -4.018 6.889 1.00 0.00 H new ATOM 0 HA LYS A 50 10.096 -6.840 6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.791 -5.046 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.746 -6.797 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.289 -5.233 8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.671 -5.663 7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.103 -8.003 8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.838 -7.767 8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.315 -8.159 10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.384 -6.410 10.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.420 -7.318 11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.017 -6.282 10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.862 -7.963 9.958 1.00 0.00 H new ATOM 795 N TYR A 51 9.550 -5.214 3.852 1.00 0.00 N ATOM 796 CA TYR A 51 9.821 -5.240 2.419 1.00 0.00 C ATOM 797 C TYR A 51 9.666 -3.850 1.810 1.00 0.00 C ATOM 798 O TYR A 51 8.625 -3.209 1.955 1.00 0.00 O ATOM 799 CB TYR A 51 8.881 -6.223 1.719 1.00 0.00 C ATOM 800 CG TYR A 51 9.261 -6.507 0.284 1.00 0.00 C ATOM 801 CD1 TYR A 51 9.049 -5.560 -0.711 1.00 0.00 C ATOM 802 CD2 TYR A 51 9.832 -7.721 -0.078 1.00 0.00 C ATOM 803 CE1 TYR A 51 9.394 -5.815 -2.025 1.00 0.00 C ATOM 804 CE2 TYR A 51 10.182 -7.983 -1.389 1.00 0.00 C ATOM 805 CZ TYR A 51 9.960 -7.027 -2.358 1.00 0.00 C ATOM 806 OH TYR A 51 10.306 -7.285 -3.665 1.00 0.00 O ATOM 0 H TYR A 51 8.944 -4.451 4.153 1.00 0.00 H new ATOM 0 HA TYR A 51 10.851 -5.567 2.276 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.870 -7.160 2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.867 -5.824 1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.607 -4.609 -0.453 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.005 -8.473 0.678 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.221 -5.069 -2.786 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.627 -8.931 -1.653 1.00 0.00 H new ATOM 0 HH TYR A 51 10.693 -8.183 -3.730 1.00 0.00 H new ATOM 816 N MET A 52 10.709 -3.390 1.127 1.00 0.00 N ATOM 817 CA MET A 52 10.689 -2.077 0.494 1.00 0.00 C ATOM 818 C MET A 52 10.137 -2.166 -0.926 1.00 0.00 C ATOM 819 O MET A 52 10.317 -3.174 -1.610 1.00 0.00 O ATOM 820 CB MET A 52 12.096 -1.477 0.469 1.00 0.00 C ATOM 821 CG MET A 52 12.173 -0.138 -0.245 1.00 0.00 C ATOM 822 SD MET A 52 13.850 0.524 -0.300 1.00 0.00 S ATOM 823 CE MET A 52 14.377 -0.022 -1.922 1.00 0.00 C ATOM 0 H MET A 52 11.579 -3.907 0.998 1.00 0.00 H new ATOM 0 HA MET A 52 10.036 -1.430 1.079 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.448 -1.354 1.493 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.773 -2.179 -0.018 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.797 -0.251 -1.262 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.521 0.576 0.258 1.00 0.00 H new ATOM 0 HE1 MET A 52 15.399 0.312 -2.104 1.00 0.00 H new ATOM 0 HE2 MET A 52 14.336 -1.110 -1.971 1.00 0.00 H new ATOM 0 HE3 MET A 52 13.717 0.400 -2.680 1.00 0.00 H new ATOM 833 N LEU A 53 9.464 -1.107 -1.361 1.00 0.00 N ATOM 834 CA LEU A 53 8.885 -1.066 -2.700 1.00 0.00 C ATOM 835 C LEU A 53 8.959 0.341 -3.282 1.00 0.00 C ATOM 836 O LEU A 53 8.625 1.329 -2.627 1.00 0.00 O ATOM 837 CB LEU A 53 7.431 -1.540 -2.663 1.00 0.00 C ATOM 838 CG LEU A 53 6.866 -2.078 -3.978 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.424 -3.462 -4.272 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.346 -2.113 -3.931 1.00 0.00 C ATOM 0 H LEU A 53 9.305 -0.265 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 53 9.462 -1.734 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.344 -2.320 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.807 -0.708 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 53 7.169 -1.408 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.011 -3.829 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.510 -3.408 -4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.152 -4.143 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.962 -2.499 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.022 -2.760 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.964 -1.105 -3.768 1.00 0.00 H new ATOM 852 N PRO A 54 9.403 0.438 -4.544 1.00 0.00 N ATOM 853 CA PRO A 54 9.528 1.720 -5.244 1.00 0.00 C ATOM 854 C PRO A 54 8.173 2.336 -5.571 1.00 0.00 C ATOM 855 O PRO A 54 7.130 1.712 -5.368 1.00 0.00 O ATOM 856 CB PRO A 54 10.272 1.351 -6.530 1.00 0.00 C ATOM 857 CG PRO A 54 9.954 -0.087 -6.752 1.00 0.00 C ATOM 858 CD PRO A 54 9.818 -0.698 -5.385 1.00 0.00 C ATOM 0 HA PRO A 54 10.041 2.467 -4.638 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.941 1.964 -7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.346 1.507 -6.425 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.032 -0.199 -7.323 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.743 -0.578 -7.322 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.078 -1.498 -5.374 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.758 -1.130 -5.042 1.00 0.00 H new ATOM 866 N LEU A 55 8.193 3.563 -6.079 1.00 0.00 N ATOM 867 CA LEU A 55 6.964 4.265 -6.435 1.00 0.00 C ATOM 868 C LEU A 55 6.977 4.672 -7.905 1.00 0.00 C ATOM 869 O LEU A 55 6.375 5.677 -8.286 1.00 0.00 O ATOM 870 CB LEU A 55 6.785 5.501 -5.553 1.00 0.00 C ATOM 871 CG LEU A 55 7.101 5.318 -4.068 1.00 0.00 C ATOM 872 CD1 LEU A 55 7.110 6.661 -3.354 1.00 0.00 C ATOM 873 CD2 LEU A 55 6.098 4.374 -3.422 1.00 0.00 C ATOM 0 H LEU A 55 9.047 4.093 -6.254 1.00 0.00 H new ATOM 0 HA LEU A 55 6.127 3.587 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.420 6.296 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.754 5.842 -5.645 1.00 0.00 H new ATOM 0 HG LEU A 55 8.094 4.877 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.337 6.510 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.868 7.305 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.132 7.131 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.338 4.255 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.094 4.786 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.142 3.403 -3.915 1.00 0.00 H new ATOM 885 N ASP A 56 7.663 3.885 -8.726 1.00 0.00 N ATOM 886 CA ASP A 56 7.751 4.162 -10.155 1.00 0.00 C ATOM 887 C ASP A 56 7.000 3.106 -10.960 1.00 0.00 C ATOM 888 O ASP A 56 6.216 3.432 -11.851 1.00 0.00 O ATOM 889 CB ASP A 56 9.214 4.213 -10.597 1.00 0.00 C ATOM 890 CG ASP A 56 10.057 3.142 -9.933 1.00 0.00 C ATOM 891 OD1 ASP A 56 10.143 2.026 -10.487 1.00 0.00 O ATOM 892 OD2 ASP A 56 10.632 3.420 -8.859 1.00 0.00 O ATOM 0 H ASP A 56 8.166 3.050 -8.427 1.00 0.00 H new ATOM 0 HA ASP A 56 7.289 5.132 -10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.268 4.095 -11.679 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.627 5.194 -10.363 1.00 0.00 H new ATOM 897 N ASN A 57 7.246 1.840 -10.641 1.00 0.00 N ATOM 898 CA ASN A 57 6.594 0.736 -11.336 1.00 0.00 C ATOM 899 C ASN A 57 5.314 0.320 -10.616 1.00 0.00 C ATOM 900 O ASN A 57 4.962 -0.860 -10.584 1.00 0.00 O ATOM 901 CB ASN A 57 7.543 -0.459 -11.442 1.00 0.00 C ATOM 902 CG ASN A 57 8.673 -0.215 -12.424 1.00 0.00 C ATOM 903 OD1 ASN A 57 8.456 -0.155 -13.634 1.00 0.00 O ATOM 904 ND2 ASN A 57 9.887 -0.073 -11.905 1.00 0.00 N ATOM 0 H ASN A 57 7.892 1.553 -9.906 1.00 0.00 H new ATOM 0 HA ASN A 57 6.333 1.075 -12.339 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.960 -0.676 -10.459 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.980 -1.340 -11.751 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.687 0.093 -12.516 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.020 -0.130 -10.895 1.00 0.00 H new ATOM 911 N LEU A 58 4.622 1.297 -10.041 1.00 0.00 N ATOM 912 CA LEU A 58 3.380 1.034 -9.322 1.00 0.00 C ATOM 913 C LEU A 58 2.255 1.928 -9.833 1.00 0.00 C ATOM 914 O LEU A 58 2.483 2.836 -10.633 1.00 0.00 O ATOM 915 CB LEU A 58 3.580 1.253 -7.822 1.00 0.00 C ATOM 916 CG LEU A 58 4.706 0.450 -7.170 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.753 0.714 -5.673 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.531 -1.036 -7.446 1.00 0.00 C ATOM 0 H LEU A 58 4.899 2.278 -10.058 1.00 0.00 H new ATOM 0 HA LEU A 58 3.101 -0.005 -9.497 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.771 2.313 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.647 1.012 -7.313 1.00 0.00 H new ATOM 0 HG LEU A 58 5.653 0.771 -7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.561 0.134 -5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.928 1.775 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.804 0.422 -5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.341 -1.592 -6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.577 -1.372 -7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.549 -1.211 -8.522 1.00 0.00 H new ATOM 930 N LYS A 59 1.040 1.668 -9.364 1.00 0.00 N ATOM 931 CA LYS A 59 -0.122 2.451 -9.770 1.00 0.00 C ATOM 932 C LYS A 59 -1.307 2.182 -8.848 1.00 0.00 C ATOM 933 O LYS A 59 -1.317 1.202 -8.103 1.00 0.00 O ATOM 934 CB LYS A 59 -0.502 2.125 -11.216 1.00 0.00 C ATOM 935 CG LYS A 59 -1.172 3.278 -11.943 1.00 0.00 C ATOM 936 CD LYS A 59 -0.890 3.235 -13.436 1.00 0.00 C ATOM 937 CE LYS A 59 -1.920 4.033 -14.220 1.00 0.00 C ATOM 938 NZ LYS A 59 -1.935 5.466 -13.818 1.00 0.00 N ATOM 0 H LYS A 59 0.833 0.920 -8.702 1.00 0.00 H new ATOM 0 HA LYS A 59 0.139 3.507 -9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.395 1.834 -11.762 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.171 1.265 -11.222 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.248 3.240 -11.774 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.818 4.223 -11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.106 3.633 -13.631 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.892 2.200 -13.778 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.704 3.957 -15.286 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.909 3.602 -14.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.563 5.998 -14.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.281 5.549 -12.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.972 5.854 -13.878 1.00 0.00 H new ATOM 952 N ILE A 60 -2.305 3.058 -8.906 1.00 0.00 N ATOM 953 CA ILE A 60 -3.496 2.913 -8.078 1.00 0.00 C ATOM 954 C ILE A 60 -4.761 2.906 -8.931 1.00 0.00 C ATOM 955 O ILE A 60 -4.902 3.706 -9.856 1.00 0.00 O ATOM 956 CB ILE A 60 -3.599 4.044 -7.037 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.366 4.046 -6.131 1.00 0.00 C ATOM 958 CG2 ILE A 60 -4.868 3.890 -6.212 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.314 5.224 -5.184 1.00 0.00 C ATOM 0 H ILE A 60 -2.312 3.875 -9.517 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.405 1.959 -7.559 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.643 4.998 -7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.350 3.123 -5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.470 4.049 -6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.927 4.696 -5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.737 3.932 -6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.851 2.931 -5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.414 5.160 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.299 6.151 -5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.192 5.211 -4.539 1.00 0.00 H new ATOM 971 N ARG A 61 -5.678 1.999 -8.611 1.00 0.00 N ATOM 972 CA ARG A 61 -6.931 1.888 -9.348 1.00 0.00 C ATOM 973 C ARG A 61 -8.067 1.454 -8.426 1.00 0.00 C ATOM 974 O ARG A 61 -7.830 0.919 -7.342 1.00 0.00 O ATOM 975 CB ARG A 61 -6.785 0.891 -10.498 1.00 0.00 C ATOM 976 CG ARG A 61 -6.287 -0.477 -10.060 1.00 0.00 C ATOM 977 CD ARG A 61 -6.267 -1.460 -11.219 1.00 0.00 C ATOM 978 NE ARG A 61 -7.580 -2.051 -11.459 1.00 0.00 N ATOM 979 CZ ARG A 61 -7.850 -2.853 -12.483 1.00 0.00 C ATOM 980 NH1 ARG A 61 -6.901 -3.158 -13.358 1.00 0.00 N ATOM 981 NH2 ARG A 61 -9.070 -3.352 -12.634 1.00 0.00 N ATOM 0 H ARG A 61 -5.577 1.331 -7.847 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.171 2.870 -9.756 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.750 0.776 -10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.095 1.300 -11.236 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.284 -0.384 -9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.928 -0.862 -9.266 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.929 -0.950 -12.121 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.546 -2.251 -11.011 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.332 -1.836 -10.804 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.962 -2.777 -13.245 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.110 -3.774 -14.144 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.803 -3.120 -11.963 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.275 -3.968 -13.421 1.00 0.00 H new ATOM 995 N ASP A 62 -9.299 1.689 -8.863 1.00 0.00 N ATOM 996 CA ASP A 62 -10.472 1.322 -8.077 1.00 0.00 C ATOM 997 C ASP A 62 -10.675 -0.190 -8.078 1.00 0.00 C ATOM 998 O ASP A 62 -10.799 -0.809 -9.135 1.00 0.00 O ATOM 999 CB ASP A 62 -11.718 2.018 -8.627 1.00 0.00 C ATOM 1000 CG ASP A 62 -11.434 3.432 -9.092 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -11.132 4.289 -8.236 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -11.515 3.682 -10.313 1.00 0.00 O ATOM 0 H ASP A 62 -9.512 2.132 -9.757 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.308 1.647 -7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.117 1.438 -9.459 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.488 2.040 -7.856 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.536 -1.504 2.027 1.00 0.00 N ATOM 1130 CA LYS A 71 -14.487 -0.835 2.786 1.00 0.00 C ATOM 1131 C LYS A 71 -13.584 -0.021 1.865 1.00 0.00 C ATOM 1132 O LYS A 71 -13.338 -0.406 0.722 1.00 0.00 O ATOM 1133 CB LYS A 71 -13.654 -1.860 3.559 1.00 0.00 C ATOM 1134 CG LYS A 71 -12.710 -2.662 2.681 1.00 0.00 C ATOM 1135 CD LYS A 71 -13.372 -3.926 2.158 1.00 0.00 C ATOM 1136 CE LYS A 71 -13.193 -5.089 3.123 1.00 0.00 C ATOM 1137 NZ LYS A 71 -14.195 -5.054 4.224 1.00 0.00 N ATOM 0 HA LYS A 71 -14.963 -0.156 3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.074 -1.343 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.325 -2.545 4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.382 -2.048 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.819 -2.926 3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.435 -3.743 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.946 -4.187 1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.283 -6.029 2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.188 -5.060 3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.323 -6.012 4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.860 -4.421 4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.103 -4.704 3.856 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.090 1.105 2.371 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.212 1.972 1.594 1.00 0.00 C ATOM 1153 C HIS A 72 -10.823 1.356 1.458 1.00 0.00 C ATOM 1154 O HIS A 72 -9.964 1.539 2.321 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.110 3.350 2.249 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.425 3.884 2.727 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -14.389 4.384 1.877 1.00 0.00 N ATOM 1158 CD2 HIS A 72 -13.934 3.994 3.976 1.00 0.00 C ATOM 1159 CE1 HIS A 72 -15.433 4.779 2.582 1.00 0.00 C ATOM 1160 NE2 HIS A 72 -15.183 4.553 3.859 1.00 0.00 N ATOM 0 H HIS A 72 -13.283 1.438 3.316 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.640 2.083 0.598 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.422 3.292 3.093 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.680 4.052 1.535 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.448 3.697 4.894 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -16.338 5.213 2.182 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -15.815 4.760 4.633 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.609 0.625 0.368 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.324 -0.018 0.119 1.00 0.00 C ATOM 1171 C VAL A 73 -8.880 0.183 -1.325 1.00 0.00 C ATOM 1172 O VAL A 73 -9.658 -0.018 -2.259 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.383 -1.527 0.422 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -10.602 -2.156 -0.236 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -8.106 -2.212 -0.039 1.00 0.00 C ATOM 0 H VAL A 73 -11.309 0.464 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.601 0.450 0.787 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.472 -1.661 1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.627 -3.222 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.507 -1.683 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.547 -2.014 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.164 -3.278 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.985 -2.071 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.252 -1.779 0.482 1.00 0.00 H new ATOM 1185 N PHE A 74 -7.624 0.580 -1.503 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.076 0.809 -2.835 1.00 0.00 C ATOM 1187 C PHE A 74 -6.012 -0.232 -3.171 1.00 0.00 C ATOM 1188 O PHE A 74 -5.105 -0.486 -2.379 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.479 2.214 -2.929 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.379 2.466 -1.937 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -5.672 2.704 -0.604 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.053 2.464 -2.338 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -4.662 2.937 0.310 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.039 2.697 -1.428 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.344 2.932 -0.102 1.00 0.00 C ATOM 0 H PHE A 74 -6.967 0.750 -0.742 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.888 0.718 -3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.092 2.369 -3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.271 2.947 -2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.701 2.707 -0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.809 2.278 -3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.903 3.123 1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.009 2.695 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.553 3.112 0.611 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.130 -0.831 -4.351 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.179 -1.843 -4.793 1.00 0.00 C ATOM 1207 C ALA A 75 -4.051 -1.218 -5.607 1.00 0.00 C ATOM 1208 O ALA A 75 -4.274 -0.284 -6.379 1.00 0.00 O ATOM 1209 CB ALA A 75 -5.888 -2.915 -5.607 1.00 0.00 C ATOM 0 H ALA A 75 -6.875 -0.633 -5.018 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.741 -2.305 -3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.165 -3.664 -5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.654 -3.391 -4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.354 -2.460 -6.481 1.00 0.00 H new ATOM 1215 N ILE A 76 -2.841 -1.737 -5.430 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.680 -1.229 -6.149 1.00 0.00 C ATOM 1217 C ILE A 76 -1.103 -2.289 -7.081 1.00 0.00 C ATOM 1218 O ILE A 76 -0.677 -3.356 -6.638 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.578 -0.760 -5.180 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.091 0.387 -4.307 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.660 -0.332 -5.953 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.147 0.762 -3.186 1.00 0.00 C ATOM 0 H ILE A 76 -2.639 -2.509 -4.795 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.022 -0.378 -6.738 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.307 -1.593 -4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.263 1.262 -4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.054 0.106 -3.881 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.430 -0.003 -5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.034 -1.174 -6.536 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.405 0.488 -6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.575 1.581 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.006 -0.099 -2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.810 1.074 -3.605 1.00 0.00 H new ATOM 1234 N PHE A 77 -1.092 -1.988 -8.376 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.567 -2.915 -9.372 1.00 0.00 C ATOM 1236 C PHE A 77 0.668 -2.336 -10.055 1.00 0.00 C ATOM 1237 O PHE A 77 0.882 -1.125 -10.051 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.639 -3.235 -10.416 1.00 0.00 C ATOM 1239 CG PHE A 77 -1.972 -2.074 -11.309 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -1.143 -1.736 -12.366 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -3.114 -1.321 -11.091 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -1.446 -0.668 -13.188 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -3.424 -0.252 -11.911 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.589 0.074 -12.961 1.00 0.00 C ATOM 0 H PHE A 77 -1.441 -1.110 -8.760 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.281 -3.835 -8.862 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.299 -4.069 -11.030 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.545 -3.562 -9.906 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.249 -2.314 -12.550 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.770 -1.572 -10.271 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.790 -0.413 -14.007 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.318 0.327 -11.731 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.829 0.908 -13.604 1.00 0.00 H new ATOM 1254 N ASN A 78 1.478 -3.212 -10.641 1.00 0.00 N ATOM 1255 CA ASN A 78 2.693 -2.789 -11.328 1.00 0.00 C ATOM 1256 C ASN A 78 2.424 -2.546 -12.810 1.00 0.00 C ATOM 1257 O ASN A 78 1.902 -3.416 -13.509 1.00 0.00 O ATOM 1258 CB ASN A 78 3.790 -3.843 -11.163 1.00 0.00 C ATOM 1259 CG ASN A 78 5.166 -3.302 -11.498 1.00 0.00 C ATOM 1260 OD1 ASN A 78 5.446 -2.951 -12.645 1.00 0.00 O ATOM 1261 ND2 ASN A 78 6.035 -3.233 -10.496 1.00 0.00 N ATOM 0 H ASN A 78 1.315 -4.219 -10.654 1.00 0.00 H new ATOM 0 HA ASN A 78 3.027 -1.853 -10.880 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.787 -4.209 -10.136 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.571 -4.695 -11.806 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.977 -2.878 -10.661 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.760 -3.535 -9.561 1.00 0.00 H new ATOM 1268 N THR A 79 2.783 -1.358 -13.284 1.00 0.00 N ATOM 1269 CA THR A 79 2.580 -0.999 -14.682 1.00 0.00 C ATOM 1270 C THR A 79 3.313 -1.963 -15.609 1.00 0.00 C ATOM 1271 O THR A 79 3.103 -1.953 -16.821 1.00 0.00 O ATOM 1272 CB THR A 79 3.060 0.436 -14.970 1.00 0.00 C ATOM 1273 OG1 THR A 79 4.466 0.541 -14.723 1.00 0.00 O ATOM 1274 CG2 THR A 79 2.311 1.440 -14.106 1.00 0.00 C ATOM 0 H THR A 79 3.216 -0.627 -12.720 1.00 0.00 H new ATOM 0 HA THR A 79 1.508 -1.060 -14.871 1.00 0.00 H new ATOM 0 HB THR A 79 2.858 0.660 -16.017 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.764 1.456 -14.910 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.667 2.446 -14.327 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.244 1.378 -14.318 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.486 1.216 -13.054 1.00 0.00 H new ATOM 1282 N GLU A 80 4.173 -2.795 -15.029 1.00 0.00 N ATOM 1283 CA GLU A 80 4.937 -3.765 -15.805 1.00 0.00 C ATOM 1284 C GLU A 80 4.246 -5.125 -15.808 1.00 0.00 C ATOM 1285 O GLU A 80 4.902 -6.165 -15.847 1.00 0.00 O ATOM 1286 CB GLU A 80 6.353 -3.901 -15.241 1.00 0.00 C ATOM 1287 CG GLU A 80 7.134 -2.598 -15.235 1.00 0.00 C ATOM 1288 CD GLU A 80 7.530 -2.150 -16.628 1.00 0.00 C ATOM 1289 OE1 GLU A 80 8.369 -2.830 -17.256 1.00 0.00 O ATOM 1290 OE2 GLU A 80 7.001 -1.117 -17.091 1.00 0.00 O ATOM 0 H GLU A 80 4.358 -2.817 -14.026 1.00 0.00 H new ATOM 0 HA GLU A 80 4.996 -3.405 -16.832 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.294 -4.284 -14.222 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.899 -4.639 -15.828 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.533 -1.820 -14.764 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.031 -2.719 -14.627 1.00 0.00 H new ATOM 1352 N VAL A 84 3.504 -7.155 -7.990 1.00 0.00 N ATOM 1353 CA VAL A 84 4.139 -6.119 -7.185 1.00 0.00 C ATOM 1354 C VAL A 84 4.703 -6.697 -5.892 1.00 0.00 C ATOM 1355 O VAL A 84 5.795 -6.328 -5.459 1.00 0.00 O ATOM 1356 CB VAL A 84 3.149 -4.990 -6.840 1.00 0.00 C ATOM 1357 CG1 VAL A 84 2.349 -4.588 -8.069 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.226 -5.419 -5.710 1.00 0.00 C ATOM 0 HA VAL A 84 4.953 -5.709 -7.782 1.00 0.00 H new ATOM 0 HB VAL A 84 3.717 -4.122 -6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.655 -3.790 -7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.028 -4.238 -8.846 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.790 -5.448 -8.437 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.533 -4.610 -5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.664 -6.302 -6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.818 -5.653 -4.825 1.00 0.00 H new ATOM 1368 N TYR A 85 3.953 -7.606 -5.279 1.00 0.00 N ATOM 1369 CA TYR A 85 4.377 -8.234 -4.034 1.00 0.00 C ATOM 1370 C TYR A 85 4.901 -9.645 -4.287 1.00 0.00 C ATOM 1371 O TYR A 85 4.787 -10.174 -5.393 1.00 0.00 O ATOM 1372 CB TYR A 85 3.216 -8.280 -3.040 1.00 0.00 C ATOM 1373 CG TYR A 85 3.615 -8.765 -1.664 1.00 0.00 C ATOM 1374 CD1 TYR A 85 4.043 -7.873 -0.689 1.00 0.00 C ATOM 1375 CD2 TYR A 85 3.565 -10.115 -1.341 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.409 -8.311 0.569 1.00 0.00 C ATOM 1377 CE2 TYR A 85 3.928 -10.562 -0.085 1.00 0.00 C ATOM 1378 CZ TYR A 85 4.350 -9.657 0.866 1.00 0.00 C ATOM 1379 OH TYR A 85 4.713 -10.098 2.118 1.00 0.00 O ATOM 0 H TYR A 85 3.048 -7.924 -5.625 1.00 0.00 H new ATOM 0 HA TYR A 85 5.184 -7.636 -3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.783 -7.283 -2.953 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.437 -8.933 -3.434 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.090 -6.819 -0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.237 -10.827 -2.084 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.739 -7.604 1.316 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.881 -11.615 0.151 1.00 0.00 H new ATOM 0 HH TYR A 85 4.613 -11.072 2.164 1.00 0.00 H new ATOM 1389 N LYS A 86 5.474 -10.250 -3.252 1.00 0.00 N ATOM 1390 CA LYS A 86 6.014 -11.600 -3.358 1.00 0.00 C ATOM 1391 C LYS A 86 5.198 -12.438 -4.338 1.00 0.00 C ATOM 1392 O LYS A 86 5.693 -12.832 -5.394 1.00 0.00 O ATOM 1393 CB LYS A 86 6.031 -12.274 -1.985 1.00 0.00 C ATOM 1394 CG LYS A 86 7.041 -13.403 -1.873 1.00 0.00 C ATOM 1395 CD LYS A 86 6.429 -14.740 -2.258 1.00 0.00 C ATOM 1396 CE LYS A 86 5.827 -15.445 -1.052 1.00 0.00 C ATOM 1397 NZ LYS A 86 5.602 -16.894 -1.313 1.00 0.00 N ATOM 0 H LYS A 86 5.576 -9.826 -2.330 1.00 0.00 H new ATOM 0 HA LYS A 86 7.035 -11.527 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.251 -11.525 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.037 -12.665 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.895 -13.194 -2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.418 -13.455 -0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.658 -14.585 -3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.192 -15.375 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.490 -15.329 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.881 -14.972 -0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.191 -17.339 -0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.949 -17.005 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.509 -17.351 -1.539 1.00 0.00 H new ATOM 1411 N ASP A 87 3.947 -12.704 -3.981 1.00 0.00 N ATOM 1412 CA ASP A 87 3.061 -13.492 -4.830 1.00 0.00 C ATOM 1413 C ASP A 87 1.836 -12.680 -5.239 1.00 0.00 C ATOM 1414 O ASP A 87 1.330 -12.820 -6.354 1.00 0.00 O ATOM 1415 CB ASP A 87 2.624 -14.766 -4.104 1.00 0.00 C ATOM 1416 CG ASP A 87 1.763 -15.662 -4.973 1.00 0.00 C ATOM 1417 OD1 ASP A 87 2.155 -15.919 -6.130 1.00 0.00 O ATOM 1418 OD2 ASP A 87 0.697 -16.104 -4.496 1.00 0.00 O ATOM 0 H ASP A 87 3.523 -12.386 -3.110 1.00 0.00 H new ATOM 0 HA ASP A 87 3.610 -13.766 -5.731 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.507 -15.318 -3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.070 -14.496 -3.205 1.00 0.00 H new ATOM 1423 N LEU A 88 1.363 -11.834 -4.332 1.00 0.00 N ATOM 1424 CA LEU A 88 0.197 -10.999 -4.598 1.00 0.00 C ATOM 1425 C LEU A 88 0.468 -10.035 -5.748 1.00 0.00 C ATOM 1426 O LEU A 88 1.454 -9.299 -5.734 1.00 0.00 O ATOM 1427 CB LEU A 88 -0.193 -10.217 -3.342 1.00 0.00 C ATOM 1428 CG LEU A 88 -0.238 -11.017 -2.040 1.00 0.00 C ATOM 1429 CD1 LEU A 88 -0.315 -10.083 -0.842 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -1.417 -11.979 -2.046 1.00 0.00 C ATOM 0 H LEU A 88 1.769 -11.708 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.628 -11.651 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.512 -9.396 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.174 -9.772 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 88 0.680 -11.600 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.346 -10.670 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.562 -9.435 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.216 -9.473 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.433 -12.540 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.345 -11.416 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.318 -12.670 -2.883 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.416 -10.043 -6.741 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.272 -9.169 -7.898 1.00 0.00 C ATOM 1444 C ARG A 89 -0.550 -7.717 -7.520 1.00 0.00 C ATOM 1445 O ARG A 89 0.171 -6.810 -7.934 1.00 0.00 O ATOM 1446 CB ARG A 89 -1.221 -9.606 -9.016 1.00 0.00 C ATOM 1447 CG ARG A 89 -1.164 -8.716 -10.247 1.00 0.00 C ATOM 1448 CD ARG A 89 -1.956 -9.311 -11.401 1.00 0.00 C ATOM 1449 NE ARG A 89 -2.371 -8.292 -12.361 1.00 0.00 N ATOM 1450 CZ ARG A 89 -3.280 -8.500 -13.307 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -3.867 -9.684 -13.418 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -3.605 -7.523 -14.144 1.00 0.00 N ATOM 0 H ARG A 89 -1.239 -10.645 -6.767 1.00 0.00 H new ATOM 0 HA ARG A 89 0.756 -9.244 -8.253 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.980 -10.629 -9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.241 -9.615 -8.632 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.559 -7.730 -10.003 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.126 -8.578 -10.550 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.350 -10.062 -11.908 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.836 -9.822 -11.011 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.939 -7.370 -12.302 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.621 -10.437 -12.776 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.565 -9.841 -14.145 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.157 -6.611 -14.062 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.303 -7.684 -14.870 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.600 -7.506 -6.733 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.972 -6.164 -6.301 1.00 0.00 C ATOM 1468 C GLN A 90 -2.222 -6.127 -4.797 1.00 0.00 C ATOM 1469 O GLN A 90 -3.134 -6.784 -4.293 1.00 0.00 O ATOM 1470 CB GLN A 90 -3.221 -5.693 -7.049 1.00 0.00 C ATOM 1471 CG GLN A 90 -4.258 -6.786 -7.250 1.00 0.00 C ATOM 1472 CD GLN A 90 -5.450 -6.317 -8.061 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -5.298 -5.618 -9.063 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -6.647 -6.700 -7.630 1.00 0.00 N ATOM 0 H GLN A 90 -2.208 -8.246 -6.382 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.145 -5.493 -6.530 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.675 -4.870 -6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.925 -5.301 -8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.793 -7.635 -7.752 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.601 -7.139 -6.278 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.727 -7.280 -6.794 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.486 -6.415 -8.135 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.408 -5.355 -4.086 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.541 -5.231 -2.639 1.00 0.00 C ATOM 1485 C ILE A 91 -2.786 -4.433 -2.268 1.00 0.00 C ATOM 1486 O ILE A 91 -2.958 -3.295 -2.704 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.307 -4.555 -2.015 1.00 0.00 C ATOM 1488 CG1 ILE A 91 0.950 -5.382 -2.293 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.505 -4.368 -0.518 1.00 0.00 C ATOM 1490 CD1 ILE A 91 2.237 -4.633 -2.028 1.00 0.00 C ATOM 0 H ILE A 91 -0.649 -4.805 -4.488 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.629 -6.243 -2.243 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.180 -3.573 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.928 -6.280 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.937 -5.709 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.376 -3.889 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.380 -3.742 -0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.654 -5.339 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.086 -5.280 -2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.281 -3.749 -2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.272 -4.329 -0.982 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.651 -5.037 -1.460 1.00 0.00 N ATOM 1503 CA GLU A 92 -4.880 -4.381 -1.029 1.00 0.00 C ATOM 1504 C GLU A 92 -4.685 -3.687 0.316 1.00 0.00 C ATOM 1505 O GLU A 92 -4.537 -4.342 1.349 1.00 0.00 O ATOM 1506 CB GLU A 92 -6.020 -5.397 -0.931 1.00 0.00 C ATOM 1507 CG GLU A 92 -6.443 -5.970 -2.273 1.00 0.00 C ATOM 1508 CD GLU A 92 -7.513 -7.036 -2.141 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -8.561 -6.753 -1.524 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -7.302 -8.154 -2.657 1.00 0.00 O ATOM 0 H GLU A 92 -3.524 -5.979 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.138 -3.627 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.712 -6.214 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.881 -4.920 -0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.814 -5.165 -2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.573 -6.394 -2.773 1.00 0.00 H new ATOM 1517 N LEU A 93 -4.684 -2.359 0.295 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.506 -1.575 1.512 1.00 0.00 C ATOM 1519 C LEU A 93 -5.824 -0.945 1.952 1.00 0.00 C ATOM 1520 O LEU A 93 -6.259 0.062 1.393 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.455 -0.486 1.292 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.029 -0.972 1.031 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.213 0.111 0.343 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.365 -1.398 2.332 1.00 0.00 C ATOM 0 H LEU A 93 -4.804 -1.802 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.165 -2.246 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.768 0.128 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.442 0.161 2.169 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.076 -1.837 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.201 -0.253 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.678 0.368 -0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.174 0.996 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.351 -1.741 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.330 -0.551 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.938 -2.208 2.785 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.454 -1.544 2.957 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.720 -1.038 3.474 1.00 0.00 C ATOM 1538 C ALA A 94 -7.493 -0.070 4.630 1.00 0.00 C ATOM 1539 O ALA A 94 -6.410 -0.029 5.214 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.608 -2.192 3.917 1.00 0.00 C ATOM 0 H ALA A 94 -6.109 -2.380 3.429 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.221 -0.495 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.550 -1.800 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.806 -2.845 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.105 -2.758 4.701 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.520 0.708 4.954 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.432 1.678 6.039 1.00 0.00 C ATOM 1548 C CYS A 95 -9.727 1.711 6.845 1.00 0.00 C ATOM 1549 O CYS A 95 -10.736 1.133 6.442 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.127 3.070 5.484 1.00 0.00 C ATOM 1551 SG CYS A 95 -7.195 4.128 6.616 1.00 0.00 S ATOM 0 H CYS A 95 -9.423 0.686 4.481 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.621 1.373 6.700 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.565 2.964 4.556 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -9.066 3.563 5.233 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.961 4.488 7.603 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.690 2.390 7.986 1.00 0.00 N ATOM 1558 CA ASP A 96 -10.860 2.499 8.850 1.00 0.00 C ATOM 1559 C ASP A 96 -11.965 3.300 8.169 1.00 0.00 C ATOM 1560 O ASP A 96 -13.101 2.840 8.058 1.00 0.00 O ATOM 1561 CB ASP A 96 -10.481 3.155 10.178 1.00 0.00 C ATOM 1562 CG ASP A 96 -10.159 4.629 10.025 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -9.073 4.947 9.499 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -10.994 5.464 10.433 1.00 0.00 O ATOM 0 H ASP A 96 -8.862 2.873 8.334 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.232 1.493 9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -11.302 3.037 10.885 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.619 2.640 10.601 1.00 0.00 H new ATOM 1569 N SER A 97 -11.624 4.503 7.717 1.00 0.00 N ATOM 1570 CA SER A 97 -12.589 5.371 7.052 1.00 0.00 C ATOM 1571 C SER A 97 -12.009 5.936 5.759 1.00 0.00 C ATOM 1572 O SER A 97 -10.826 5.761 5.468 1.00 0.00 O ATOM 1573 CB SER A 97 -13.003 6.514 7.981 1.00 0.00 C ATOM 1574 OG SER A 97 -12.072 7.581 7.923 1.00 0.00 O ATOM 0 H SER A 97 -10.687 4.898 7.799 1.00 0.00 H new ATOM 0 HA SER A 97 -13.468 4.776 6.806 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.992 6.875 7.700 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.076 6.146 9.005 1.00 0.00 H new ATOM 0 HG SER A 97 -12.360 8.299 8.524 1.00 0.00 H new ATOM 1580 N GLN A 98 -12.853 6.614 4.987 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.425 7.205 3.724 1.00 0.00 C ATOM 1582 C GLN A 98 -11.497 8.391 3.964 1.00 0.00 C ATOM 1583 O GLN A 98 -10.491 8.552 3.275 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.640 7.649 2.907 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.279 8.450 1.666 1.00 0.00 C ATOM 1586 CD GLN A 98 -12.631 7.600 0.591 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -13.312 7.038 -0.267 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -11.307 7.501 0.632 1.00 0.00 N ATOM 0 H GLN A 98 -13.836 6.767 5.214 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.877 6.447 3.164 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.208 6.768 2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.293 8.250 3.540 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -14.179 8.914 1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.601 9.257 1.944 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -10.782 7.984 1.361 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -10.816 6.942 -0.066 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.844 9.218 4.946 1.00 0.00 N ATOM 1598 CA GLU A 99 -11.041 10.390 5.275 1.00 0.00 C ATOM 1599 C GLU A 99 -9.552 10.065 5.213 1.00 0.00 C ATOM 1600 O GLU A 99 -8.759 10.838 4.675 1.00 0.00 O ATOM 1601 CB GLU A 99 -11.404 10.909 6.668 1.00 0.00 C ATOM 1602 CG GLU A 99 -11.067 12.375 6.878 1.00 0.00 C ATOM 1603 CD GLU A 99 -11.623 12.921 8.179 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -11.121 12.526 9.252 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -12.562 13.743 8.123 1.00 0.00 O ATOM 0 H GLU A 99 -12.674 9.098 5.526 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.256 11.164 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.471 10.763 6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.880 10.314 7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -9.984 12.500 6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -11.462 12.958 6.046 1.00 0.00 H new ATOM 1612 N ASP A 100 -9.180 8.916 5.767 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.786 8.488 5.776 1.00 0.00 C ATOM 1614 C ASP A 100 -7.301 8.190 4.360 1.00 0.00 C ATOM 1615 O ASP A 100 -6.397 8.852 3.850 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.616 7.249 6.657 1.00 0.00 C ATOM 1617 CG ASP A 100 -7.407 7.602 8.117 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -8.118 8.498 8.618 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -6.532 6.983 8.758 1.00 0.00 O ATOM 0 H ASP A 100 -9.824 8.265 6.215 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.185 9.300 6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.498 6.615 6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.765 6.667 6.301 1.00 0.00 H new ATOM 1624 N VAL A 101 -7.907 7.188 3.731 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.537 6.802 2.374 1.00 0.00 C ATOM 1626 C VAL A 101 -7.360 8.027 1.484 1.00 0.00 C ATOM 1627 O VAL A 101 -6.295 8.235 0.901 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.594 5.874 1.747 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.290 5.636 0.276 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -8.663 4.557 2.506 1.00 0.00 C ATOM 0 H VAL A 101 -8.656 6.629 4.139 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.590 6.267 2.444 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.567 6.359 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.047 4.978 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.296 6.588 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.309 5.171 0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.415 3.913 2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.692 4.064 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.932 4.749 3.545 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.409 8.835 1.382 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.370 10.041 0.564 1.00 0.00 C ATOM 1642 C ASP A 102 -7.035 10.763 0.724 1.00 0.00 C ATOM 1643 O ASP A 102 -6.424 11.183 -0.258 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.519 10.977 0.941 1.00 0.00 C ATOM 1645 CG ASP A 102 -9.870 11.941 -0.175 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -10.043 11.482 -1.324 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -9.973 13.155 0.100 1.00 0.00 O ATOM 0 H ASP A 102 -9.298 8.676 1.856 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.480 9.746 -0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.398 10.385 1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.246 11.542 1.833 1.00 0.00 H new ATOM 1652 N SER A 103 -6.591 10.905 1.968 1.00 0.00 N ATOM 1653 CA SER A 103 -5.331 11.580 2.258 1.00 0.00 C ATOM 1654 C SER A 103 -4.155 10.816 1.658 1.00 0.00 C ATOM 1655 O SER A 103 -3.266 11.406 1.043 1.00 0.00 O ATOM 1656 CB SER A 103 -5.142 11.726 3.769 1.00 0.00 C ATOM 1657 OG SER A 103 -3.900 12.339 4.071 1.00 0.00 O ATOM 0 H SER A 103 -7.085 10.562 2.792 1.00 0.00 H new ATOM 0 HA SER A 103 -5.366 12.571 1.806 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.955 12.321 4.185 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.191 10.745 4.241 1.00 0.00 H new ATOM 0 HG SER A 103 -3.980 12.845 4.906 1.00 0.00 H new ATOM 1663 N TRP A 104 -4.156 9.501 1.842 1.00 0.00 N ATOM 1664 CA TRP A 104 -3.089 8.655 1.320 1.00 0.00 C ATOM 1665 C TRP A 104 -2.947 8.827 -0.189 1.00 0.00 C ATOM 1666 O TRP A 104 -1.847 9.036 -0.699 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.363 7.188 1.655 1.00 0.00 C ATOM 1668 CG TRP A 104 -2.881 6.790 3.017 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.652 6.454 4.093 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.520 6.689 3.449 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -2.852 6.150 5.168 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.540 6.285 4.798 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.286 6.897 2.826 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.374 6.088 5.533 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.870 6.701 3.557 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.820 6.300 4.899 1.00 0.00 C ATOM 0 H TRP A 104 -4.884 8.997 2.349 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.154 8.959 1.791 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.435 7.001 1.588 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -2.882 6.556 0.908 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.732 6.431 4.098 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.182 5.869 6.092 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.237 7.205 1.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.411 5.779 6.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.829 6.860 3.086 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.742 6.156 5.443 1.00 0.00 H new ATOM 1687 N LYS A 105 -4.067 8.738 -0.898 1.00 0.00 N ATOM 1688 CA LYS A 105 -4.069 8.885 -2.348 1.00 0.00 C ATOM 1689 C LYS A 105 -3.353 10.166 -2.766 1.00 0.00 C ATOM 1690 O LYS A 105 -2.718 10.218 -3.819 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.504 8.894 -2.879 1.00 0.00 C ATOM 1692 CG LYS A 105 -6.166 7.527 -2.865 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.564 7.579 -3.459 1.00 0.00 C ATOM 1694 CE LYS A 105 -7.971 6.235 -4.044 1.00 0.00 C ATOM 1695 NZ LYS A 105 -7.584 6.115 -5.477 1.00 0.00 N ATOM 0 H LYS A 105 -4.986 8.565 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.536 8.035 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.100 9.583 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.503 9.277 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.556 6.821 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.218 7.157 -1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.277 7.873 -2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.602 8.342 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.503 5.433 -3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.049 6.108 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.878 5.186 -5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.051 6.865 -6.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.552 6.211 -5.567 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.459 11.196 -1.933 1.00 0.00 N ATOM 1710 CA ALA A 106 -2.819 12.475 -2.215 1.00 0.00 C ATOM 1711 C ALA A 106 -1.318 12.407 -1.956 1.00 0.00 C ATOM 1712 O ALA A 106 -0.520 12.937 -2.729 1.00 0.00 O ATOM 1713 CB ALA A 106 -3.451 13.577 -1.378 1.00 0.00 C ATOM 0 H ALA A 106 -3.982 11.170 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.969 12.703 -3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -2.963 14.527 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.512 13.650 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.331 13.345 -0.320 1.00 0.00 H new ATOM 1719 N SER A 107 -0.940 11.750 -0.864 1.00 0.00 N ATOM 1720 CA SER A 107 0.466 11.616 -0.501 1.00 0.00 C ATOM 1721 C SER A 107 1.249 10.917 -1.608 1.00 0.00 C ATOM 1722 O SER A 107 2.436 11.177 -1.805 1.00 0.00 O ATOM 1723 CB SER A 107 0.605 10.837 0.808 1.00 0.00 C ATOM 1724 OG SER A 107 0.651 9.441 0.568 1.00 0.00 O ATOM 0 H SER A 107 -1.588 11.302 -0.215 1.00 0.00 H new ATOM 0 HA SER A 107 0.877 12.616 -0.365 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.511 11.150 1.327 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.234 11.069 1.464 1.00 0.00 H new ATOM 0 HG SER A 107 -0.168 9.161 0.108 1.00 0.00 H new ATOM 1730 N PHE A 108 0.575 10.026 -2.328 1.00 0.00 N ATOM 1731 CA PHE A 108 1.206 9.287 -3.415 1.00 0.00 C ATOM 1732 C PHE A 108 1.525 10.210 -4.587 1.00 0.00 C ATOM 1733 O PHE A 108 2.574 10.087 -5.222 1.00 0.00 O ATOM 1734 CB PHE A 108 0.296 8.148 -3.882 1.00 0.00 C ATOM 1735 CG PHE A 108 0.528 6.858 -3.149 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.459 5.941 -3.611 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.185 6.561 -1.999 1.00 0.00 C ATOM 1738 CE1 PHE A 108 1.673 4.752 -2.940 1.00 0.00 C ATOM 1739 CE2 PHE A 108 0.025 5.374 -1.323 1.00 0.00 C ATOM 1740 CZ PHE A 108 0.956 4.469 -1.793 1.00 0.00 C ATOM 0 H PHE A 108 -0.408 9.798 -2.178 1.00 0.00 H new ATOM 0 HA PHE A 108 2.140 8.867 -3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.744 8.448 -3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.451 7.984 -4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.024 6.158 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -0.914 7.266 -1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.400 4.045 -3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.538 5.155 -0.428 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.124 3.542 -1.265 1.00 0.00 H new ATOM 1750 N LEU A 109 0.614 11.135 -4.869 1.00 0.00 N ATOM 1751 CA LEU A 109 0.797 12.080 -5.965 1.00 0.00 C ATOM 1752 C LEU A 109 2.135 12.802 -5.844 1.00 0.00 C ATOM 1753 O LEU A 109 2.863 12.950 -6.826 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.344 13.098 -5.983 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.567 12.721 -6.821 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -1.187 12.587 -8.288 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -2.187 11.430 -6.309 1.00 0.00 C ATOM 0 H LEU A 109 -0.259 11.251 -4.354 1.00 0.00 H new ATOM 0 HA LEU A 109 0.791 11.519 -6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.670 13.267 -4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.047 14.046 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.306 13.517 -6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.069 12.318 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.790 13.536 -8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.430 11.811 -8.398 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.056 11.177 -6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.455 10.625 -6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.496 11.561 -5.272 1.00 0.00 H new ATOM 1769 N ARG A 110 2.454 13.247 -4.633 1.00 0.00 N ATOM 1770 CA ARG A 110 3.705 13.953 -4.383 1.00 0.00 C ATOM 1771 C ARG A 110 4.881 13.214 -5.016 1.00 0.00 C ATOM 1772 O ARG A 110 5.742 13.825 -5.649 1.00 0.00 O ATOM 1773 CB ARG A 110 3.936 14.108 -2.879 1.00 0.00 C ATOM 1774 CG ARG A 110 3.131 15.234 -2.252 1.00 0.00 C ATOM 1775 CD ARG A 110 3.897 16.547 -2.275 1.00 0.00 C ATOM 1776 NE ARG A 110 4.784 16.683 -1.123 1.00 0.00 N ATOM 1777 CZ ARG A 110 5.319 17.837 -0.738 1.00 0.00 C ATOM 1778 NH1 ARG A 110 5.057 18.949 -1.411 1.00 0.00 N ATOM 1779 NH2 ARG A 110 6.117 17.880 0.321 1.00 0.00 N ATOM 0 H ARG A 110 1.863 13.131 -3.810 1.00 0.00 H new ATOM 0 HA ARG A 110 3.633 14.942 -4.836 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.682 13.171 -2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.996 14.287 -2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.189 15.352 -2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.882 14.975 -1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.482 16.609 -3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.192 17.378 -2.290 1.00 0.00 H new ATOM 0 HE ARG A 110 5.005 15.846 -0.584 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.444 18.920 -2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.469 19.834 -1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.321 17.027 0.841 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.527 18.767 0.615 1.00 0.00 H new ATOM 1793 N ALA A 111 4.911 11.898 -4.839 1.00 0.00 N ATOM 1794 CA ALA A 111 5.980 11.076 -5.393 1.00 0.00 C ATOM 1795 C ALA A 111 5.906 11.033 -6.915 1.00 0.00 C ATOM 1796 O ALA A 111 6.928 10.949 -7.594 1.00 0.00 O ATOM 1797 CB ALA A 111 5.915 9.668 -4.819 1.00 0.00 C ATOM 0 H ALA A 111 4.207 11.377 -4.316 1.00 0.00 H new ATOM 0 HA ALA A 111 6.933 11.526 -5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.719 9.065 -5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.025 9.711 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.954 9.217 -5.068 1.00 0.00 H new ATOM 1803 N GLY A 112 4.688 11.090 -7.446 1.00 0.00 N ATOM 1804 CA GLY A 112 4.504 11.055 -8.885 1.00 0.00 C ATOM 1805 C GLY A 112 3.609 9.914 -9.328 1.00 0.00 C ATOM 1806 O GLY A 112 3.835 9.309 -10.375 1.00 0.00 O ATOM 0 H GLY A 112 3.826 11.160 -6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.073 12.000 -9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.475 10.960 -9.370 1.00 0.00 H new ATOM 1810 N VAL A 113 2.590 9.618 -8.527 1.00 0.00 N ATOM 1811 CA VAL A 113 1.658 8.542 -8.841 1.00 0.00 C ATOM 1812 C VAL A 113 0.283 9.093 -9.199 1.00 0.00 C ATOM 1813 O VAL A 113 -0.554 8.386 -9.760 1.00 0.00 O ATOM 1814 CB VAL A 113 1.516 7.561 -7.662 1.00 0.00 C ATOM 1815 CG1 VAL A 113 0.501 6.476 -7.989 1.00 0.00 C ATOM 1816 CG2 VAL A 113 2.865 6.952 -7.311 1.00 0.00 C ATOM 0 H VAL A 113 2.389 10.109 -7.656 1.00 0.00 H new ATOM 0 HA VAL A 113 2.067 8.009 -9.700 1.00 0.00 H new ATOM 0 HB VAL A 113 1.155 8.113 -6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.414 5.792 -7.144 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.469 6.933 -8.187 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.829 5.924 -8.870 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.746 6.261 -6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.257 6.414 -8.174 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.560 7.744 -7.031 1.00 0.00 H new