USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 738 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 102 LYS NZ :NH3+ 157:sc= 0.343 (180deg=0) USER MOD Set 1.2: A 118 ASN : amide:sc= -3.18! C(o=-2.8!,f=-6.4!) USER MOD Set 2.1: A 99 ASN : amide:sc= -1.9 K(o=-2.3,f=0.032) USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= -0.43 USER MOD Set 3.1: A 29 CYS SG : rot 77:sc= 0.502 USER MOD Set 3.2: A 115 MET CE :methyl 150:sc= -0.189 (180deg=-0.356) USER MOD Single : A 2 SER OG : rot 35:sc= 0.02 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0204 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -164:sc=-0.00412 (180deg=-0.319) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.034) USER MOD Single : A 65 ASN : amide:sc= -0.0242 X(o=-0.024,f=-0.0043) USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00266) USER MOD Single : A 70 MET CE :methyl 176:sc= -0.117 (180deg=-0.159) USER MOD Single : A 71 GLN : amide:sc= -2.02! C(o=-2!,f=-3!) USER MOD Single : A 75 LYS NZ :NH3+ -151:sc= -0.251 (180deg=-1.02) USER MOD Single : A 83 SER OG : rot -160:sc= -0.358 USER MOD Single : A 85 THR OG1 : rot 160:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.0286 USER MOD Single : A 96 CYS SG : rot 65:sc= 0.986 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0.108 X(o=0.11,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 169:sc=-0.00175 (180deg=-0.112) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 MET CE :methyl -127:sc= -0.199 (180deg=-2.33!) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N SER A 2 -0.853 -21.564 5.737 1.00 0.00 N ATOM 84 CA SER A 2 -1.213 -20.650 4.660 1.00 0.00 C ATOM 85 C SER A 2 -0.366 -19.382 4.718 1.00 0.00 C ATOM 86 O SER A 2 -0.523 -18.536 5.599 1.00 0.00 O ATOM 87 CB SER A 2 -2.697 -20.290 4.742 1.00 0.00 C ATOM 88 OG SER A 2 -3.511 -21.430 4.526 1.00 0.00 O ATOM 0 HA SER A 2 -1.021 -21.152 3.712 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.917 -19.862 5.720 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.931 -19.526 4.000 1.00 0.00 H new ATOM 0 HG SER A 2 -3.077 -22.220 4.911 1.00 0.00 H new ATOM 94 N PRO A 3 0.557 -19.243 3.756 1.00 0.00 N ATOM 95 CA PRO A 3 1.391 -18.037 3.777 1.00 0.00 C ATOM 96 C PRO A 3 0.602 -16.780 3.426 1.00 0.00 C ATOM 97 O PRO A 3 -0.256 -16.800 2.543 1.00 0.00 O ATOM 98 CB PRO A 3 2.450 -18.319 2.708 1.00 0.00 C ATOM 99 CG PRO A 3 1.803 -19.289 1.780 1.00 0.00 C ATOM 100 CD PRO A 3 0.893 -20.131 2.631 1.00 0.00 C ATOM 0 HA PRO A 3 1.805 -17.846 4.767 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.740 -17.406 2.187 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.356 -18.736 3.148 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.242 -18.771 1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.548 -19.905 1.278 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.003 -20.439 2.083 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.389 -21.040 2.971 1.00 0.00 H new ATOM 108 N PHE A 4 0.898 -15.688 4.122 1.00 0.00 N ATOM 109 CA PHE A 4 0.215 -14.421 3.883 1.00 0.00 C ATOM 110 C PHE A 4 1.195 -13.360 3.389 1.00 0.00 C ATOM 111 O PHE A 4 2.400 -13.453 3.626 1.00 0.00 O ATOM 112 CB PHE A 4 -0.473 -13.940 5.163 1.00 0.00 C ATOM 113 CG PHE A 4 0.483 -13.424 6.200 1.00 0.00 C ATOM 114 CD1 PHE A 4 0.845 -12.087 6.224 1.00 0.00 C ATOM 115 CD2 PHE A 4 1.021 -14.278 7.151 1.00 0.00 C ATOM 116 CE1 PHE A 4 1.725 -11.610 7.178 1.00 0.00 C ATOM 117 CE2 PHE A 4 1.900 -13.806 8.107 1.00 0.00 C ATOM 118 CZ PHE A 4 2.253 -12.471 8.120 1.00 0.00 C ATOM 0 H PHE A 4 1.606 -15.654 4.856 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.538 -14.582 3.112 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.183 -13.152 4.910 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.048 -14.763 5.588 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.435 -11.410 5.489 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.750 -15.323 7.144 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.999 -10.565 7.186 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.311 -14.481 8.844 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.941 -12.101 8.866 1.00 0.00 H new ATOM 128 N LEU A 5 0.668 -12.353 2.701 1.00 0.00 N ATOM 129 CA LEU A 5 1.495 -11.274 2.172 1.00 0.00 C ATOM 130 C LEU A 5 1.269 -9.982 2.952 1.00 0.00 C ATOM 131 O LEU A 5 0.134 -9.531 3.109 1.00 0.00 O ATOM 132 CB LEU A 5 1.188 -11.049 0.691 1.00 0.00 C ATOM 133 CG LEU A 5 2.024 -11.861 -0.299 1.00 0.00 C ATOM 134 CD1 LEU A 5 1.543 -11.627 -1.722 1.00 0.00 C ATOM 135 CD2 LEU A 5 3.498 -11.508 -0.167 1.00 0.00 C ATOM 0 H LEU A 5 -0.327 -12.261 2.497 1.00 0.00 H new ATOM 0 HA LEU A 5 2.540 -11.564 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.136 -11.277 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.325 -9.991 0.469 1.00 0.00 H new ATOM 0 HG LEU A 5 1.902 -12.919 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.150 -12.213 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.500 -11.931 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.634 -10.569 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.078 -12.095 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.638 -10.447 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.836 -11.729 0.846 1.00 0.00 H new ATOM 147 N ARG A 6 2.356 -9.392 3.437 1.00 0.00 N ATOM 148 CA ARG A 6 2.276 -8.152 4.199 1.00 0.00 C ATOM 149 C ARG A 6 2.523 -6.944 3.300 1.00 0.00 C ATOM 150 O ARG A 6 3.669 -6.573 3.042 1.00 0.00 O ATOM 151 CB ARG A 6 3.292 -8.165 5.343 1.00 0.00 C ATOM 152 CG ARG A 6 3.238 -6.925 6.220 1.00 0.00 C ATOM 153 CD ARG A 6 2.267 -7.103 7.378 1.00 0.00 C ATOM 154 NE ARG A 6 2.675 -8.183 8.273 1.00 0.00 N ATOM 155 CZ ARG A 6 1.922 -8.637 9.268 1.00 0.00 C ATOM 156 NH1 ARG A 6 0.728 -8.108 9.494 1.00 0.00 N ATOM 157 NH2 ARG A 6 2.363 -9.623 10.039 1.00 0.00 N ATOM 0 H ARG A 6 3.302 -9.753 3.316 1.00 0.00 H new ATOM 0 HA ARG A 6 1.271 -8.075 4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.118 -9.045 5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.295 -8.261 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.233 -6.709 6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.937 -6.066 5.620 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.199 -6.172 7.941 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.271 -7.313 6.987 1.00 0.00 H new ATOM 0 HE ARG A 6 3.589 -8.612 8.125 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.386 -7.350 8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.151 -8.458 10.259 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.281 -10.033 9.868 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.784 -9.971 10.803 1.00 0.00 H new ATOM 171 N ILE A 7 1.441 -6.335 2.825 1.00 0.00 N ATOM 172 CA ILE A 7 1.541 -5.170 1.956 1.00 0.00 C ATOM 173 C ILE A 7 1.508 -3.877 2.764 1.00 0.00 C ATOM 174 O ILE A 7 0.666 -3.703 3.643 1.00 0.00 O ATOM 175 CB ILE A 7 0.403 -5.143 0.918 1.00 0.00 C ATOM 176 CG1 ILE A 7 0.431 -6.412 0.065 1.00 0.00 C ATOM 177 CG2 ILE A 7 0.516 -3.905 0.040 1.00 0.00 C ATOM 178 CD1 ILE A 7 -0.334 -7.566 0.673 1.00 0.00 C ATOM 0 H ILE A 7 0.486 -6.630 3.028 1.00 0.00 H new ATOM 0 HA ILE A 7 2.495 -5.246 1.435 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.550 -5.104 1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.015 -6.189 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.467 -6.714 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.295 -3.900 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.451 -3.011 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.473 -3.915 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.271 -8.432 0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.095 -7.816 1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.379 -7.283 0.801 1.00 0.00 H new ATOM 190 N GLY A 8 2.430 -2.970 2.457 1.00 0.00 N ATOM 191 CA GLY A 8 2.489 -1.703 3.162 1.00 0.00 C ATOM 192 C GLY A 8 2.611 -0.520 2.221 1.00 0.00 C ATOM 193 O GLY A 8 3.206 -0.630 1.148 1.00 0.00 O ATOM 0 H GLY A 8 3.138 -3.090 1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.592 -1.588 3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.339 -1.710 3.844 1.00 0.00 H new ATOM 197 N LEU A 9 2.045 0.613 2.621 1.00 0.00 N ATOM 198 CA LEU A 9 2.091 1.821 1.805 1.00 0.00 C ATOM 199 C LEU A 9 2.918 2.907 2.487 1.00 0.00 C ATOM 200 O LEU A 9 2.734 3.191 3.670 1.00 0.00 O ATOM 201 CB LEU A 9 0.675 2.335 1.538 1.00 0.00 C ATOM 202 CG LEU A 9 -0.264 1.369 0.815 1.00 0.00 C ATOM 203 CD1 LEU A 9 -1.672 1.939 0.754 1.00 0.00 C ATOM 204 CD2 LEU A 9 0.253 1.070 -0.584 1.00 0.00 C ATOM 0 H LEU A 9 1.549 0.721 3.506 1.00 0.00 H new ATOM 0 HA LEU A 9 2.565 1.571 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.222 2.605 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.747 3.249 0.949 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.296 0.435 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.326 1.238 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.043 2.102 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.658 2.887 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.428 0.381 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.315 1.997 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.243 0.618 -0.517 1.00 0.00 H new ATOM 216 N SER A 10 3.829 3.512 1.731 1.00 0.00 N ATOM 217 CA SER A 10 4.685 4.566 2.262 1.00 0.00 C ATOM 218 C SER A 10 5.027 5.585 1.179 1.00 0.00 C ATOM 219 O SER A 10 4.926 5.299 -0.013 1.00 0.00 O ATOM 220 CB SER A 10 5.970 3.966 2.837 1.00 0.00 C ATOM 221 OG SER A 10 6.800 3.455 1.809 1.00 0.00 O ATOM 0 H SER A 10 3.993 3.290 0.749 1.00 0.00 H new ATOM 0 HA SER A 10 4.142 5.076 3.058 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.510 4.727 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.721 3.169 3.537 1.00 0.00 H new ATOM 0 HG SER A 10 7.615 3.079 2.203 1.00 0.00 H new ATOM 227 N ASN A 11 5.432 6.778 1.605 1.00 0.00 N ATOM 228 CA ASN A 11 5.788 7.841 0.673 1.00 0.00 C ATOM 229 C ASN A 11 4.672 8.072 -0.342 1.00 0.00 C ATOM 230 O ASN A 11 4.920 8.155 -1.545 1.00 0.00 O ATOM 231 CB ASN A 11 7.090 7.497 -0.053 1.00 0.00 C ATOM 232 CG ASN A 11 8.288 7.495 0.877 1.00 0.00 C ATOM 233 OD1 ASN A 11 8.623 8.517 1.477 1.00 0.00 O ATOM 234 ND2 ASN A 11 8.940 6.345 1.000 1.00 0.00 N ATOM 0 H ASN A 11 5.521 7.032 2.589 1.00 0.00 H new ATOM 0 HA ASN A 11 5.930 8.758 1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.994 6.517 -0.520 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.257 8.217 -0.854 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.754 6.283 1.611 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.627 5.523 0.483 1.00 0.00 H new ATOM 241 N PHE A 12 3.443 8.175 0.152 1.00 0.00 N ATOM 242 CA PHE A 12 2.288 8.396 -0.711 1.00 0.00 C ATOM 243 C PHE A 12 2.445 9.687 -1.510 1.00 0.00 C ATOM 244 O PHE A 12 3.040 10.655 -1.035 1.00 0.00 O ATOM 245 CB PHE A 12 1.006 8.451 0.122 1.00 0.00 C ATOM 246 CG PHE A 12 -0.208 8.841 -0.673 1.00 0.00 C ATOM 247 CD1 PHE A 12 -0.709 8.001 -1.655 1.00 0.00 C ATOM 248 CD2 PHE A 12 -0.849 10.046 -0.437 1.00 0.00 C ATOM 249 CE1 PHE A 12 -1.825 8.358 -2.387 1.00 0.00 C ATOM 250 CE2 PHE A 12 -1.966 10.408 -1.166 1.00 0.00 C ATOM 251 CZ PHE A 12 -2.455 9.562 -2.142 1.00 0.00 C ATOM 0 H PHE A 12 3.221 8.109 1.145 1.00 0.00 H new ATOM 0 HA PHE A 12 2.223 7.562 -1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.835 7.475 0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.141 9.163 0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.222 7.057 -1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.471 10.711 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.205 7.695 -3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.456 11.351 -0.973 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.328 9.842 -2.712 1.00 0.00 H new ATOM 261 N ASP A 13 1.908 9.692 -2.725 1.00 0.00 N ATOM 262 CA ASP A 13 1.987 10.863 -3.590 1.00 0.00 C ATOM 263 C ASP A 13 0.695 11.043 -4.380 1.00 0.00 C ATOM 264 O ASP A 13 0.166 10.088 -4.949 1.00 0.00 O ATOM 265 CB ASP A 13 3.173 10.737 -4.548 1.00 0.00 C ATOM 266 CG ASP A 13 4.493 11.073 -3.884 1.00 0.00 C ATOM 267 OD1 ASP A 13 5.119 10.158 -3.311 1.00 0.00 O ATOM 268 OD2 ASP A 13 4.900 12.253 -3.937 1.00 0.00 O ATOM 0 H ASP A 13 1.414 8.899 -3.133 1.00 0.00 H new ATOM 0 HA ASP A 13 2.131 11.741 -2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.215 9.720 -4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.020 11.399 -5.400 1.00 0.00 H new ATOM 273 N CYS A 14 0.193 12.273 -4.411 1.00 0.00 N ATOM 274 CA CYS A 14 -1.039 12.577 -5.130 1.00 0.00 C ATOM 275 C CYS A 14 -0.759 13.470 -6.335 1.00 0.00 C ATOM 276 O CYS A 14 -1.441 13.386 -7.355 1.00 0.00 O ATOM 277 CB CYS A 14 -2.043 13.258 -4.199 1.00 0.00 C ATOM 278 SG CYS A 14 -1.405 14.738 -3.379 1.00 0.00 S ATOM 0 H CYS A 14 0.620 13.075 -3.947 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.463 11.638 -5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.929 13.528 -4.773 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.360 12.543 -3.440 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.328 15.243 -2.615 1.00 0.00 H new ATOM 431 N PRO A 27 -6.526 11.783 5.048 1.00 0.00 N ATOM 432 CA PRO A 27 -7.319 10.875 4.214 1.00 0.00 C ATOM 433 C PRO A 27 -7.158 9.416 4.630 1.00 0.00 C ATOM 434 O PRO A 27 -6.421 9.105 5.565 1.00 0.00 O ATOM 435 CB PRO A 27 -6.749 11.096 2.810 1.00 0.00 C ATOM 436 CG PRO A 27 -5.358 11.575 3.037 1.00 0.00 C ATOM 437 CD PRO A 27 -5.397 12.373 4.311 1.00 0.00 C ATOM 0 HA PRO A 27 -8.387 11.077 4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.760 10.174 2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.335 11.829 2.256 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.666 10.737 3.122 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.015 12.188 2.203 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.464 12.286 4.868 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.555 13.434 4.116 1.00 0.00 H new ATOM 445 N TYR A 28 -7.852 8.526 3.930 1.00 0.00 N ATOM 446 CA TYR A 28 -7.788 7.101 4.228 1.00 0.00 C ATOM 447 C TYR A 28 -7.858 6.273 2.949 1.00 0.00 C ATOM 448 O TYR A 28 -8.723 6.492 2.100 1.00 0.00 O ATOM 449 CB TYR A 28 -8.927 6.703 5.169 1.00 0.00 C ATOM 450 CG TYR A 28 -10.302 6.896 4.570 1.00 0.00 C ATOM 451 CD1 TYR A 28 -10.973 8.106 4.697 1.00 0.00 C ATOM 452 CD2 TYR A 28 -10.929 5.868 3.877 1.00 0.00 C ATOM 453 CE1 TYR A 28 -12.230 8.286 4.152 1.00 0.00 C ATOM 454 CE2 TYR A 28 -12.185 6.040 3.327 1.00 0.00 C ATOM 455 CZ TYR A 28 -12.832 7.250 3.468 1.00 0.00 C ATOM 456 OH TYR A 28 -14.083 7.426 2.923 1.00 0.00 O ATOM 0 H TYR A 28 -8.466 8.767 3.152 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.835 6.901 4.717 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.806 5.657 5.450 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.853 7.290 6.084 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.504 8.920 5.231 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.426 4.919 3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -12.738 9.233 4.261 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -12.658 5.231 2.790 1.00 0.00 H new ATOM 0 HH TYR A 28 -14.363 6.601 2.474 1.00 0.00 H new ATOM 466 N CYS A 29 -6.942 5.320 2.818 1.00 0.00 N ATOM 467 CA CYS A 29 -6.898 4.458 1.642 1.00 0.00 C ATOM 468 C CYS A 29 -8.012 3.418 1.689 1.00 0.00 C ATOM 469 O CYS A 29 -8.291 2.839 2.738 1.00 0.00 O ATOM 470 CB CYS A 29 -5.539 3.762 1.545 1.00 0.00 C ATOM 471 SG CYS A 29 -4.273 4.733 0.693 1.00 0.00 S ATOM 0 H CYS A 29 -6.220 5.125 3.511 1.00 0.00 H new ATOM 0 HA CYS A 29 -7.043 5.081 0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.189 3.530 2.551 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.665 2.813 1.025 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.830 5.661 1.488 1.00 0.00 H new ATOM 477 N ALA A 30 -8.647 3.187 0.544 1.00 0.00 N ATOM 478 CA ALA A 30 -9.731 2.217 0.454 1.00 0.00 C ATOM 479 C ALA A 30 -9.278 0.952 -0.267 1.00 0.00 C ATOM 480 O ALA A 30 -9.015 0.972 -1.470 1.00 0.00 O ATOM 481 CB ALA A 30 -10.931 2.830 -0.254 1.00 0.00 C ATOM 0 H ALA A 30 -8.429 3.659 -0.334 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.023 1.941 1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.733 2.094 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.278 3.700 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.643 3.136 -1.260 1.00 0.00 H new ATOM 487 N VAL A 31 -9.188 -0.147 0.475 1.00 0.00 N ATOM 488 CA VAL A 31 -8.766 -1.421 -0.094 1.00 0.00 C ATOM 489 C VAL A 31 -9.940 -2.387 -0.209 1.00 0.00 C ATOM 490 O VAL A 31 -10.430 -2.909 0.794 1.00 0.00 O ATOM 491 CB VAL A 31 -7.659 -2.076 0.753 1.00 0.00 C ATOM 492 CG1 VAL A 31 -7.230 -3.400 0.141 1.00 0.00 C ATOM 493 CG2 VAL A 31 -6.471 -1.135 0.895 1.00 0.00 C ATOM 0 H VAL A 31 -9.402 -0.181 1.472 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.374 -1.208 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.057 -2.276 1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.447 -3.847 0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.085 -4.074 0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.849 -3.229 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.698 -1.613 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.071 -0.902 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.792 -0.215 1.382 1.00 0.00 H new ATOM 503 N LEU A 32 -10.387 -2.622 -1.438 1.00 0.00 N ATOM 504 CA LEU A 32 -11.505 -3.527 -1.685 1.00 0.00 C ATOM 505 C LEU A 32 -11.021 -4.833 -2.306 1.00 0.00 C ATOM 506 O LEU A 32 -10.669 -4.880 -3.485 1.00 0.00 O ATOM 507 CB LEU A 32 -12.531 -2.862 -2.604 1.00 0.00 C ATOM 508 CG LEU A 32 -12.993 -1.463 -2.193 1.00 0.00 C ATOM 509 CD1 LEU A 32 -12.059 -0.405 -2.759 1.00 0.00 C ATOM 510 CD2 LEU A 32 -14.423 -1.217 -2.654 1.00 0.00 C ATOM 0 H LEU A 32 -9.993 -2.199 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.976 -3.753 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.107 -2.803 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.406 -3.508 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.967 -1.397 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.403 0.584 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.050 -0.570 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.053 -0.470 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.735 -0.217 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.475 -1.302 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.084 -1.955 -2.200 1.00 0.00 H new ATOM 522 N VAL A 33 -11.007 -5.894 -1.505 1.00 0.00 N ATOM 523 CA VAL A 33 -10.570 -7.202 -1.976 1.00 0.00 C ATOM 524 C VAL A 33 -11.707 -7.945 -2.669 1.00 0.00 C ATOM 525 O VAL A 33 -12.752 -8.201 -2.071 1.00 0.00 O ATOM 526 CB VAL A 33 -10.037 -8.067 -0.818 1.00 0.00 C ATOM 527 CG1 VAL A 33 -9.481 -9.381 -1.344 1.00 0.00 C ATOM 528 CG2 VAL A 33 -8.980 -7.308 -0.030 1.00 0.00 C ATOM 0 H VAL A 33 -11.294 -5.873 -0.526 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.765 -7.028 -2.690 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.865 -8.294 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.109 -9.978 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.269 -9.929 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.665 -9.179 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.614 -7.934 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.151 -7.049 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.416 -6.397 0.380 1.00 0.00 H new ATOM 538 N LYS A 34 -11.496 -8.291 -3.934 1.00 0.00 N ATOM 539 CA LYS A 34 -12.501 -9.007 -4.710 1.00 0.00 C ATOM 540 C LYS A 34 -12.046 -10.432 -5.008 1.00 0.00 C ATOM 541 O LYS A 34 -10.880 -10.773 -4.813 1.00 0.00 O ATOM 542 CB LYS A 34 -12.786 -8.267 -6.020 1.00 0.00 C ATOM 543 CG LYS A 34 -13.414 -6.899 -5.821 1.00 0.00 C ATOM 544 CD LYS A 34 -13.088 -5.963 -6.973 1.00 0.00 C ATOM 545 CE LYS A 34 -13.585 -4.551 -6.701 1.00 0.00 C ATOM 546 NZ LYS A 34 -14.987 -4.358 -7.164 1.00 0.00 N ATOM 0 H LYS A 34 -10.637 -8.087 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.415 -9.053 -4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.854 -8.153 -6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.449 -8.876 -6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.495 -7.004 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.057 -6.466 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.010 -5.946 -7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.542 -6.340 -7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.524 -4.344 -5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.935 -3.834 -7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.289 -3.384 -6.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.041 -4.531 -8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.612 -5.025 -6.667 1.00 0.00 H new ATOM 809 N PRO A 50 -15.885 -6.280 2.949 1.00 0.00 N ATOM 810 CA PRO A 50 -16.150 -4.889 2.569 1.00 0.00 C ATOM 811 C PRO A 50 -14.872 -4.067 2.449 1.00 0.00 C ATOM 812 O PRO A 50 -13.768 -4.587 2.615 1.00 0.00 O ATOM 813 CB PRO A 50 -17.015 -4.367 3.719 1.00 0.00 C ATOM 814 CG PRO A 50 -16.654 -5.222 4.884 1.00 0.00 C ATOM 815 CD PRO A 50 -16.336 -6.578 4.319 1.00 0.00 C ATOM 0 HA PRO A 50 -16.627 -4.817 1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -16.811 -3.316 3.922 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -18.076 -4.447 3.484 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.798 -4.811 5.419 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -17.477 -5.279 5.596 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.561 -7.082 4.896 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.210 -7.229 4.322 1.00 0.00 H new ATOM 823 N THR A 51 -15.027 -2.779 2.159 1.00 0.00 N ATOM 824 CA THR A 51 -13.885 -1.885 2.015 1.00 0.00 C ATOM 825 C THR A 51 -13.004 -1.914 3.259 1.00 0.00 C ATOM 826 O THR A 51 -13.499 -2.038 4.379 1.00 0.00 O ATOM 827 CB THR A 51 -14.335 -0.435 1.753 1.00 0.00 C ATOM 828 OG1 THR A 51 -15.374 -0.416 0.767 1.00 0.00 O ATOM 829 CG2 THR A 51 -13.167 0.418 1.283 1.00 0.00 C ATOM 0 H THR A 51 -15.933 -2.332 2.019 1.00 0.00 H new ATOM 0 HA THR A 51 -13.312 -2.240 1.158 1.00 0.00 H new ATOM 0 HB THR A 51 -14.713 -0.020 2.687 1.00 0.00 H new ATOM 0 HG1 THR A 51 -15.656 0.509 0.607 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.509 1.437 1.105 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.390 0.425 2.048 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.763 0.004 0.359 1.00 0.00 H new ATOM 837 N MET A 52 -11.696 -1.798 3.055 1.00 0.00 N ATOM 838 CA MET A 52 -10.746 -1.809 4.162 1.00 0.00 C ATOM 839 C MET A 52 -10.034 -0.466 4.280 1.00 0.00 C ATOM 840 O MET A 52 -10.033 0.332 3.343 1.00 0.00 O ATOM 841 CB MET A 52 -9.721 -2.929 3.971 1.00 0.00 C ATOM 842 CG MET A 52 -10.160 -4.261 4.556 1.00 0.00 C ATOM 843 SD MET A 52 -8.774 -5.371 4.872 1.00 0.00 S ATOM 844 CE MET A 52 -7.891 -5.261 3.317 1.00 0.00 C ATOM 0 H MET A 52 -11.270 -1.695 2.134 1.00 0.00 H new ATOM 0 HA MET A 52 -11.301 -1.988 5.083 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.528 -3.055 2.906 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.780 -2.631 4.433 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.699 -4.085 5.487 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.857 -4.743 3.870 1.00 0.00 H new ATOM 0 HE1 MET A 52 -7.183 -6.087 3.241 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.600 -5.314 2.491 1.00 0.00 H new ATOM 0 HE3 MET A 52 -7.351 -4.315 3.271 1.00 0.00 H new ATOM 854 N TYR A 53 -9.428 -0.223 5.437 1.00 0.00 N ATOM 855 CA TYR A 53 -8.714 1.026 5.679 1.00 0.00 C ATOM 856 C TYR A 53 -7.353 0.760 6.315 1.00 0.00 C ATOM 857 O TYR A 53 -7.195 0.760 7.536 1.00 0.00 O ATOM 858 CB TYR A 53 -9.541 1.944 6.580 1.00 0.00 C ATOM 859 CG TYR A 53 -10.975 2.104 6.130 1.00 0.00 C ATOM 860 CD1 TYR A 53 -11.277 2.635 4.882 1.00 0.00 C ATOM 861 CD2 TYR A 53 -12.029 1.724 6.952 1.00 0.00 C ATOM 862 CE1 TYR A 53 -12.586 2.784 4.466 1.00 0.00 C ATOM 863 CE2 TYR A 53 -13.341 1.867 6.544 1.00 0.00 C ATOM 864 CZ TYR A 53 -13.614 2.398 5.300 1.00 0.00 C ATOM 865 OH TYR A 53 -14.920 2.543 4.891 1.00 0.00 O ATOM 0 H TYR A 53 -9.417 -0.874 6.222 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.556 1.518 4.719 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.530 1.548 7.596 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.069 2.926 6.615 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.474 2.937 4.226 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.819 1.310 7.927 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.803 3.200 3.493 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.148 1.565 7.195 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.521 2.222 5.596 1.00 0.00 H new ATOM 875 N PRO A 54 -6.340 0.529 5.467 1.00 0.00 N ATOM 876 CA PRO A 54 -5.015 0.271 6.039 1.00 0.00 C ATOM 877 C PRO A 54 -4.408 1.514 6.681 1.00 0.00 C ATOM 878 O PRO A 54 -4.777 2.648 6.373 1.00 0.00 O ATOM 879 CB PRO A 54 -4.186 -0.166 4.830 1.00 0.00 C ATOM 880 CG PRO A 54 -4.863 0.461 3.660 1.00 0.00 C ATOM 881 CD PRO A 54 -6.328 0.489 3.995 1.00 0.00 C ATOM 0 HA PRO A 54 -5.053 -0.470 6.837 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.153 0.170 4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.162 -1.252 4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.484 1.468 3.483 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.682 -0.112 2.751 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.822 1.360 3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.845 -0.391 3.613 1.00 0.00 H new ATOM 889 N PRO A 55 -3.451 1.302 7.596 1.00 0.00 N ATOM 890 CA PRO A 55 -2.843 2.473 8.234 1.00 0.00 C ATOM 891 C PRO A 55 -1.970 3.270 7.270 1.00 0.00 C ATOM 892 O PRO A 55 -1.866 2.935 6.090 1.00 0.00 O ATOM 893 CB PRO A 55 -1.990 1.866 9.350 1.00 0.00 C ATOM 894 CG PRO A 55 -1.682 0.485 8.884 1.00 0.00 C ATOM 895 CD PRO A 55 -2.880 0.039 8.092 1.00 0.00 C ATOM 0 HA PRO A 55 -3.593 3.180 8.589 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.079 2.442 9.509 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.529 1.853 10.297 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.781 0.472 8.270 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.502 -0.181 9.728 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.597 -0.623 7.273 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.591 -0.507 8.712 1.00 0.00 H new ATOM 903 N TRP A 56 -1.346 4.325 7.780 1.00 0.00 N ATOM 904 CA TRP A 56 -0.481 5.170 6.964 1.00 0.00 C ATOM 905 C TRP A 56 0.988 4.914 7.283 1.00 0.00 C ATOM 906 O TRP A 56 1.377 4.845 8.449 1.00 0.00 O ATOM 907 CB TRP A 56 -0.815 6.645 7.189 1.00 0.00 C ATOM 908 CG TRP A 56 -1.888 7.157 6.276 1.00 0.00 C ATOM 909 CD1 TRP A 56 -3.082 7.708 6.644 1.00 0.00 C ATOM 910 CD2 TRP A 56 -1.865 7.163 4.845 1.00 0.00 C ATOM 911 NE1 TRP A 56 -3.803 8.056 5.527 1.00 0.00 N ATOM 912 CE2 TRP A 56 -3.078 7.733 4.411 1.00 0.00 C ATOM 913 CE3 TRP A 56 -0.937 6.744 3.887 1.00 0.00 C ATOM 914 CZ2 TRP A 56 -3.385 7.892 3.062 1.00 0.00 C ATOM 915 CZ3 TRP A 56 -1.244 6.903 2.549 1.00 0.00 C ATOM 916 CH2 TRP A 56 -2.458 7.473 2.147 1.00 0.00 C ATOM 0 H TRP A 56 -1.422 4.616 8.755 1.00 0.00 H new ATOM 0 HA TRP A 56 -0.655 4.921 5.917 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.130 6.785 8.223 1.00 0.00 H new ATOM 0 HB3 TRP A 56 0.087 7.240 7.047 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.411 7.849 7.663 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.728 8.485 5.529 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.003 6.304 4.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -4.321 8.330 2.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.535 6.582 1.800 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.667 7.584 1.093 1.00 0.00 H new ATOM 927 N ASP A 57 1.800 4.774 6.241 1.00 0.00 N ATOM 928 CA ASP A 57 3.227 4.527 6.410 1.00 0.00 C ATOM 929 C ASP A 57 3.466 3.286 7.265 1.00 0.00 C ATOM 930 O ASP A 57 4.501 3.160 7.919 1.00 0.00 O ATOM 931 CB ASP A 57 3.903 5.740 7.050 1.00 0.00 C ATOM 932 CG ASP A 57 4.243 6.815 6.036 1.00 0.00 C ATOM 933 OD1 ASP A 57 4.605 6.460 4.895 1.00 0.00 O ATOM 934 OD2 ASP A 57 4.149 8.011 6.384 1.00 0.00 O ATOM 0 H ASP A 57 1.494 4.827 5.269 1.00 0.00 H new ATOM 0 HA ASP A 57 3.661 4.356 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.246 6.158 7.812 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.814 5.420 7.555 1.00 0.00 H new ATOM 939 N SER A 58 2.500 2.373 7.256 1.00 0.00 N ATOM 940 CA SER A 58 2.603 1.144 8.035 1.00 0.00 C ATOM 941 C SER A 58 2.329 -0.077 7.162 1.00 0.00 C ATOM 942 O SER A 58 2.035 0.048 5.973 1.00 0.00 O ATOM 943 CB SER A 58 1.623 1.175 9.209 1.00 0.00 C ATOM 944 OG SER A 58 2.185 1.843 10.325 1.00 0.00 O ATOM 0 H SER A 58 1.638 2.461 6.718 1.00 0.00 H new ATOM 0 HA SER A 58 3.620 1.073 8.421 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.704 1.676 8.906 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.353 0.157 9.489 1.00 0.00 H new ATOM 0 HG SER A 58 1.538 1.851 11.061 1.00 0.00 H new ATOM 950 N THR A 59 2.429 -1.260 7.761 1.00 0.00 N ATOM 951 CA THR A 59 2.194 -2.504 7.040 1.00 0.00 C ATOM 952 C THR A 59 0.966 -3.229 7.580 1.00 0.00 C ATOM 953 O THR A 59 0.753 -3.293 8.791 1.00 0.00 O ATOM 954 CB THR A 59 3.411 -3.443 7.128 1.00 0.00 C ATOM 955 OG1 THR A 59 4.099 -3.238 8.367 1.00 0.00 O ATOM 956 CG2 THR A 59 4.364 -3.205 5.967 1.00 0.00 C ATOM 0 H THR A 59 2.671 -1.382 8.744 1.00 0.00 H new ATOM 0 HA THR A 59 2.025 -2.237 5.997 1.00 0.00 H new ATOM 0 HB THR A 59 3.053 -4.471 7.077 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.871 -3.840 8.416 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.216 -3.880 6.051 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.845 -3.391 5.027 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.715 -2.173 5.990 1.00 0.00 H new ATOM 964 N PHE A 60 0.161 -3.775 6.674 1.00 0.00 N ATOM 965 CA PHE A 60 -1.046 -4.496 7.060 1.00 0.00 C ATOM 966 C PHE A 60 -1.025 -5.922 6.517 1.00 0.00 C ATOM 967 O PHE A 60 -0.308 -6.224 5.563 1.00 0.00 O ATOM 968 CB PHE A 60 -2.288 -3.762 6.551 1.00 0.00 C ATOM 969 CG PHE A 60 -2.362 -3.676 5.054 1.00 0.00 C ATOM 970 CD1 PHE A 60 -2.866 -4.731 4.310 1.00 0.00 C ATOM 971 CD2 PHE A 60 -1.929 -2.540 4.390 1.00 0.00 C ATOM 972 CE1 PHE A 60 -2.934 -4.655 2.932 1.00 0.00 C ATOM 973 CE2 PHE A 60 -1.995 -2.457 3.012 1.00 0.00 C ATOM 974 CZ PHE A 60 -2.500 -3.516 2.282 1.00 0.00 C ATOM 0 H PHE A 60 0.323 -3.732 5.668 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.080 -4.542 8.149 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.178 -4.270 6.922 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.300 -2.754 6.966 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.210 -5.623 4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.535 -1.709 4.956 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.326 -5.485 2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.653 -1.566 2.507 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.555 -3.453 1.205 1.00 0.00 H new ATOM 984 N ASP A 61 -1.817 -6.794 7.131 1.00 0.00 N ATOM 985 CA ASP A 61 -1.891 -8.188 6.709 1.00 0.00 C ATOM 986 C ASP A 61 -2.912 -8.364 5.590 1.00 0.00 C ATOM 987 O ASP A 61 -3.949 -7.701 5.572 1.00 0.00 O ATOM 988 CB ASP A 61 -2.256 -9.083 7.895 1.00 0.00 C ATOM 989 CG ASP A 61 -1.804 -10.517 7.699 1.00 0.00 C ATOM 990 OD1 ASP A 61 -2.198 -11.130 6.684 1.00 0.00 O ATOM 991 OD2 ASP A 61 -1.057 -11.026 8.559 1.00 0.00 O ATOM 0 H ASP A 61 -2.417 -6.560 7.922 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.911 -8.480 6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.802 -8.683 8.802 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.336 -9.062 8.043 1.00 0.00 H new ATOM 996 N ALA A 62 -2.611 -9.261 4.657 1.00 0.00 N ATOM 997 CA ALA A 62 -3.503 -9.524 3.534 1.00 0.00 C ATOM 998 C ALA A 62 -3.479 -11.000 3.149 1.00 0.00 C ATOM 999 O ALA A 62 -2.500 -11.488 2.583 1.00 0.00 O ATOM 1000 CB ALA A 62 -3.121 -8.659 2.342 1.00 0.00 C ATOM 0 H ALA A 62 -1.756 -9.818 4.656 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.518 -9.271 3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.795 -8.866 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.196 -7.607 2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.097 -8.883 2.043 1.00 0.00 H new ATOM 1006 N HIS A 63 -4.562 -11.705 3.459 1.00 0.00 N ATOM 1007 CA HIS A 63 -4.665 -13.126 3.145 1.00 0.00 C ATOM 1008 C HIS A 63 -4.442 -13.370 1.656 1.00 0.00 C ATOM 1009 O HIS A 63 -4.745 -12.514 0.825 1.00 0.00 O ATOM 1010 CB HIS A 63 -6.033 -13.665 3.564 1.00 0.00 C ATOM 1011 CG HIS A 63 -6.132 -15.158 3.506 1.00 0.00 C ATOM 1012 ND1 HIS A 63 -5.867 -15.972 4.586 1.00 0.00 N ATOM 1013 CD2 HIS A 63 -6.472 -15.984 2.488 1.00 0.00 C ATOM 1014 CE1 HIS A 63 -6.037 -17.235 4.236 1.00 0.00 C ATOM 1015 NE2 HIS A 63 -6.405 -17.269 2.967 1.00 0.00 N ATOM 0 H HIS A 63 -5.381 -11.316 3.927 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.890 -13.653 3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.249 -13.334 4.580 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -6.798 -13.233 2.918 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.745 -15.687 1.486 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.899 -18.093 4.877 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.607 -18.113 2.431 1.00 0.00 H new ATOM 1023 N ILE A 64 -3.911 -14.543 1.327 1.00 0.00 N ATOM 1024 CA ILE A 64 -3.649 -14.900 -0.062 1.00 0.00 C ATOM 1025 C ILE A 64 -4.611 -15.981 -0.544 1.00 0.00 C ATOM 1026 O ILE A 64 -4.909 -16.928 0.182 1.00 0.00 O ATOM 1027 CB ILE A 64 -2.203 -15.393 -0.253 1.00 0.00 C ATOM 1028 CG1 ILE A 64 -1.214 -14.375 0.317 1.00 0.00 C ATOM 1029 CG2 ILE A 64 -1.920 -15.646 -1.727 1.00 0.00 C ATOM 1030 CD1 ILE A 64 0.218 -14.863 0.328 1.00 0.00 C ATOM 0 H ILE A 64 -3.654 -15.262 2.003 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.797 -13.996 -0.653 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.081 -16.332 0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.272 -13.457 -0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.511 -14.123 1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.894 -15.994 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.606 -16.404 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.057 -14.721 -2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.863 -14.089 0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.291 -15.764 0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.534 -15.088 -0.691 1.00 0.00 H new ATOM 1042 N ASN A 65 -5.092 -15.832 -1.773 1.00 0.00 N ATOM 1043 CA ASN A 65 -6.020 -16.796 -2.353 1.00 0.00 C ATOM 1044 C ASN A 65 -5.826 -16.898 -3.863 1.00 0.00 C ATOM 1045 O ASN A 65 -5.246 -16.009 -4.487 1.00 0.00 O ATOM 1046 CB ASN A 65 -7.464 -16.399 -2.038 1.00 0.00 C ATOM 1047 CG ASN A 65 -8.396 -17.595 -1.998 1.00 0.00 C ATOM 1048 OD1 ASN A 65 -9.262 -17.749 -2.859 1.00 0.00 O ATOM 1049 ND2 ASN A 65 -8.223 -18.447 -0.995 1.00 0.00 N ATOM 0 H ASN A 65 -4.855 -15.053 -2.387 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.814 -17.771 -1.912 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.495 -15.885 -1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.816 -15.692 -2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.821 -19.269 -0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.492 -18.279 -0.304 1.00 0.00 H new ATOM 1056 N LYS A 66 -6.317 -17.987 -4.445 1.00 0.00 N ATOM 1057 CA LYS A 66 -6.200 -18.205 -5.882 1.00 0.00 C ATOM 1058 C LYS A 66 -7.252 -17.403 -6.641 1.00 0.00 C ATOM 1059 O LYS A 66 -8.452 -17.623 -6.477 1.00 0.00 O ATOM 1060 CB LYS A 66 -6.347 -19.694 -6.206 1.00 0.00 C ATOM 1061 CG LYS A 66 -5.163 -20.533 -5.756 1.00 0.00 C ATOM 1062 CD LYS A 66 -5.232 -20.843 -4.270 1.00 0.00 C ATOM 1063 CE LYS A 66 -4.415 -22.078 -3.920 1.00 0.00 C ATOM 1064 NZ LYS A 66 -2.959 -21.862 -4.145 1.00 0.00 N ATOM 0 H LYS A 66 -6.800 -18.732 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.213 -17.866 -6.197 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.252 -20.073 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.478 -19.812 -7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.140 -21.464 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.236 -20.003 -5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.864 -19.989 -3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.271 -20.997 -3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.586 -22.343 -2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.754 -22.921 -4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.434 -22.714 -3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.788 -21.668 -5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.636 -21.053 -3.577 1.00 0.00 H new ATOM 1078 N GLY A 67 -6.794 -16.474 -7.474 1.00 0.00 N ATOM 1079 CA GLY A 67 -7.709 -15.654 -8.247 1.00 0.00 C ATOM 1080 C GLY A 67 -8.312 -14.529 -7.429 1.00 0.00 C ATOM 1081 O GLY A 67 -9.503 -14.239 -7.544 1.00 0.00 O ATOM 0 H GLY A 67 -5.806 -16.274 -7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.181 -15.234 -9.103 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.509 -16.281 -8.642 1.00 0.00 H new ATOM 1085 N ARG A 68 -7.489 -13.895 -6.601 1.00 0.00 N ATOM 1086 CA ARG A 68 -7.949 -12.798 -5.759 1.00 0.00 C ATOM 1087 C ARG A 68 -7.223 -11.502 -6.109 1.00 0.00 C ATOM 1088 O ARG A 68 -5.993 -11.456 -6.140 1.00 0.00 O ATOM 1089 CB ARG A 68 -7.731 -13.134 -4.282 1.00 0.00 C ATOM 1090 CG ARG A 68 -8.543 -12.267 -3.334 1.00 0.00 C ATOM 1091 CD ARG A 68 -8.329 -12.675 -1.885 1.00 0.00 C ATOM 1092 NE ARG A 68 -9.280 -13.698 -1.458 1.00 0.00 N ATOM 1093 CZ ARG A 68 -9.495 -14.017 -0.186 1.00 0.00 C ATOM 1094 NH1 ARG A 68 -8.830 -13.395 0.778 1.00 0.00 N ATOM 1095 NH2 ARG A 68 -10.376 -14.959 0.123 1.00 0.00 N ATOM 0 H ARG A 68 -6.500 -14.122 -6.495 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.015 -12.658 -5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.988 -14.180 -4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.673 -13.024 -4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.262 -11.222 -3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.601 -12.346 -3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.313 -13.050 -1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.427 -11.799 -1.244 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.808 -14.195 -2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.152 -12.670 0.544 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.997 -13.642 1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.889 -15.439 -0.616 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.540 -15.203 1.100 1.00 0.00 H new ATOM 1109 N VAL A 69 -7.993 -10.451 -6.373 1.00 0.00 N ATOM 1110 CA VAL A 69 -7.424 -9.155 -6.721 1.00 0.00 C ATOM 1111 C VAL A 69 -7.647 -8.140 -5.605 1.00 0.00 C ATOM 1112 O VAL A 69 -8.432 -8.374 -4.687 1.00 0.00 O ATOM 1113 CB VAL A 69 -8.031 -8.608 -8.027 1.00 0.00 C ATOM 1114 CG1 VAL A 69 -7.493 -9.372 -9.227 1.00 0.00 C ATOM 1115 CG2 VAL A 69 -9.550 -8.676 -7.978 1.00 0.00 C ATOM 0 H VAL A 69 -9.013 -10.472 -6.352 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.354 -9.306 -6.862 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.740 -7.563 -8.132 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.933 -8.972 -10.140 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.409 -9.266 -9.270 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.751 -10.427 -9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.962 -8.286 -8.909 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.864 -9.712 -7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.914 -8.079 -7.142 1.00 0.00 H new ATOM 1125 N MET A 70 -6.951 -7.010 -5.693 1.00 0.00 N ATOM 1126 CA MET A 70 -7.075 -5.958 -4.691 1.00 0.00 C ATOM 1127 C MET A 70 -7.152 -4.585 -5.352 1.00 0.00 C ATOM 1128 O MET A 70 -6.270 -4.207 -6.122 1.00 0.00 O ATOM 1129 CB MET A 70 -5.892 -6.005 -3.722 1.00 0.00 C ATOM 1130 CG MET A 70 -5.829 -4.813 -2.781 1.00 0.00 C ATOM 1131 SD MET A 70 -4.699 -5.076 -1.401 1.00 0.00 S ATOM 1132 CE MET A 70 -3.141 -5.251 -2.268 1.00 0.00 C ATOM 0 H MET A 70 -6.297 -6.800 -6.447 1.00 0.00 H new ATOM 0 HA MET A 70 -7.997 -6.127 -4.135 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.952 -6.920 -3.133 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.966 -6.055 -4.295 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.515 -3.931 -3.339 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.827 -4.607 -2.394 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.331 -5.349 -1.545 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.173 -6.139 -2.899 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.969 -4.371 -2.888 1.00 0.00 H new ATOM 1142 N GLN A 71 -8.212 -3.845 -5.045 1.00 0.00 N ATOM 1143 CA GLN A 71 -8.404 -2.514 -5.610 1.00 0.00 C ATOM 1144 C GLN A 71 -8.032 -1.434 -4.600 1.00 0.00 C ATOM 1145 O GLN A 71 -8.589 -1.379 -3.503 1.00 0.00 O ATOM 1146 CB GLN A 71 -9.855 -2.332 -6.059 1.00 0.00 C ATOM 1147 CG GLN A 71 -10.053 -1.171 -7.020 1.00 0.00 C ATOM 1148 CD GLN A 71 -11.512 -0.932 -7.354 1.00 0.00 C ATOM 1149 OE1 GLN A 71 -12.403 -1.273 -6.575 1.00 0.00 O ATOM 1150 NE2 GLN A 71 -11.765 -0.343 -8.517 1.00 0.00 N ATOM 0 H GLN A 71 -8.951 -4.144 -4.409 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.748 -2.417 -6.475 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.197 -3.250 -6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.482 -2.177 -5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.632 -0.266 -6.582 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.501 -1.367 -7.939 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.996 -0.077 -9.132 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.728 -0.156 -8.795 1.00 0.00 H new ATOM 1159 N ILE A 72 -7.087 -0.579 -4.976 1.00 0.00 N ATOM 1160 CA ILE A 72 -6.642 0.499 -4.102 1.00 0.00 C ATOM 1161 C ILE A 72 -7.197 1.844 -4.561 1.00 0.00 C ATOM 1162 O ILE A 72 -6.746 2.403 -5.562 1.00 0.00 O ATOM 1163 CB ILE A 72 -5.105 0.583 -4.049 1.00 0.00 C ATOM 1164 CG1 ILE A 72 -4.514 -0.764 -3.625 1.00 0.00 C ATOM 1165 CG2 ILE A 72 -4.667 1.684 -3.095 1.00 0.00 C ATOM 1166 CD1 ILE A 72 -3.004 -0.807 -3.686 1.00 0.00 C ATOM 0 H ILE A 72 -6.615 -0.612 -5.880 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.020 0.273 -3.105 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.734 0.824 -5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.835 -0.988 -2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.918 -1.547 -4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.578 1.731 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.063 2.640 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.045 1.471 -2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.655 -1.791 -3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.675 -0.614 -4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.591 -0.047 -3.023 1.00 0.00 H new ATOM 1178 N ILE A 73 -8.175 2.357 -3.824 1.00 0.00 N ATOM 1179 CA ILE A 73 -8.789 3.637 -4.153 1.00 0.00 C ATOM 1180 C ILE A 73 -8.624 4.636 -3.013 1.00 0.00 C ATOM 1181 O ILE A 73 -9.136 4.430 -1.913 1.00 0.00 O ATOM 1182 CB ILE A 73 -10.289 3.478 -4.468 1.00 0.00 C ATOM 1183 CG1 ILE A 73 -10.506 2.329 -5.455 1.00 0.00 C ATOM 1184 CG2 ILE A 73 -10.854 4.776 -5.025 1.00 0.00 C ATOM 1185 CD1 ILE A 73 -11.964 2.058 -5.755 1.00 0.00 C ATOM 0 H ILE A 73 -8.560 1.906 -2.994 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.278 4.013 -5.039 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.816 3.242 -3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.988 2.558 -6.386 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.052 1.424 -5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.914 4.648 -5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.728 5.572 -4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.325 5.040 -5.941 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -12.043 1.232 -6.461 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.483 1.798 -4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.418 2.949 -6.188 1.00 0.00 H new ATOM 1197 N VAL A 74 -7.906 5.721 -3.285 1.00 0.00 N ATOM 1198 CA VAL A 74 -7.675 6.755 -2.283 1.00 0.00 C ATOM 1199 C VAL A 74 -8.951 7.540 -1.998 1.00 0.00 C ATOM 1200 O VAL A 74 -9.725 7.839 -2.907 1.00 0.00 O ATOM 1201 CB VAL A 74 -6.573 7.734 -2.730 1.00 0.00 C ATOM 1202 CG1 VAL A 74 -6.228 8.699 -1.607 1.00 0.00 C ATOM 1203 CG2 VAL A 74 -5.338 6.972 -3.188 1.00 0.00 C ATOM 0 H VAL A 74 -7.474 5.907 -4.190 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.353 6.247 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.947 8.315 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.448 9.383 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.116 9.268 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.873 8.139 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.569 7.679 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.960 6.364 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.599 6.326 -4.026 1.00 0.00 H new ATOM 1213 N LYS A 75 -9.164 7.871 -0.729 1.00 0.00 N ATOM 1214 CA LYS A 75 -10.346 8.622 -0.323 1.00 0.00 C ATOM 1215 C LYS A 75 -10.061 9.448 0.928 1.00 0.00 C ATOM 1216 O LYS A 75 -9.013 9.302 1.555 1.00 0.00 O ATOM 1217 CB LYS A 75 -11.516 7.671 -0.063 1.00 0.00 C ATOM 1218 CG LYS A 75 -11.879 6.812 -1.262 1.00 0.00 C ATOM 1219 CD LYS A 75 -13.130 5.990 -1.001 1.00 0.00 C ATOM 1220 CE LYS A 75 -13.721 5.449 -2.293 1.00 0.00 C ATOM 1221 NZ LYS A 75 -13.174 4.106 -2.633 1.00 0.00 N ATOM 0 H LYS A 75 -8.533 7.631 0.036 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.611 9.301 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.266 7.022 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.388 8.254 0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.036 7.449 -2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.049 6.147 -1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.890 5.162 -0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.871 6.605 -0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.805 5.386 -2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.512 6.143 -3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.181 3.979 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.198 4.029 -2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.760 3.370 -2.190 1.00 0.00 H new ATOM 1325 N ILE A 82 -10.592 9.296 -6.178 1.00 0.00 N ATOM 1326 CA ILE A 82 -9.411 10.030 -6.614 1.00 0.00 C ATOM 1327 C ILE A 82 -8.681 9.286 -7.727 1.00 0.00 C ATOM 1328 O ILE A 82 -8.360 9.862 -8.766 1.00 0.00 O ATOM 1329 CB ILE A 82 -8.435 10.271 -5.447 1.00 0.00 C ATOM 1330 CG1 ILE A 82 -9.119 11.075 -4.340 1.00 0.00 C ATOM 1331 CG2 ILE A 82 -7.188 10.990 -5.939 1.00 0.00 C ATOM 1332 CD1 ILE A 82 -8.593 10.766 -2.956 1.00 0.00 C ATOM 0 HA ILE A 82 -9.759 10.992 -6.991 1.00 0.00 H new ATOM 0 HB ILE A 82 -8.136 9.306 -5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.988 12.138 -4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -10.190 10.875 -4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.508 11.153 -5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.693 10.382 -6.696 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.468 11.951 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.123 11.372 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -8.748 9.710 -2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.528 10.993 -2.913 1.00 0.00 H new ATOM 1344 N SER A 83 -8.423 8.001 -7.502 1.00 0.00 N ATOM 1345 CA SER A 83 -7.729 7.177 -8.485 1.00 0.00 C ATOM 1346 C SER A 83 -8.042 5.699 -8.273 1.00 0.00 C ATOM 1347 O SER A 83 -8.767 5.334 -7.348 1.00 0.00 O ATOM 1348 CB SER A 83 -6.219 7.408 -8.400 1.00 0.00 C ATOM 1349 OG SER A 83 -5.730 7.108 -7.105 1.00 0.00 O ATOM 0 H SER A 83 -8.684 7.508 -6.648 1.00 0.00 H new ATOM 0 HA SER A 83 -8.078 7.466 -9.476 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.711 6.786 -9.137 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.992 8.445 -8.647 1.00 0.00 H new ATOM 0 HG SER A 83 -4.864 7.548 -6.972 1.00 0.00 H new ATOM 1355 N GLU A 84 -7.489 4.854 -9.137 1.00 0.00 N ATOM 1356 CA GLU A 84 -7.710 3.415 -9.045 1.00 0.00 C ATOM 1357 C GLU A 84 -6.555 2.646 -9.680 1.00 0.00 C ATOM 1358 O GLU A 84 -6.005 3.059 -10.702 1.00 0.00 O ATOM 1359 CB GLU A 84 -9.026 3.034 -9.726 1.00 0.00 C ATOM 1360 CG GLU A 84 -8.980 3.138 -11.241 1.00 0.00 C ATOM 1361 CD GLU A 84 -10.344 3.396 -11.851 1.00 0.00 C ATOM 1362 OE1 GLU A 84 -11.270 2.599 -11.592 1.00 0.00 O ATOM 1363 OE2 GLU A 84 -10.486 4.395 -12.586 1.00 0.00 O ATOM 0 H GLU A 84 -6.885 5.140 -9.908 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.765 3.148 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.287 2.013 -9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.820 3.679 -9.350 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.301 3.942 -11.526 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.571 2.215 -11.652 1.00 0.00 H new ATOM 1370 N THR A 85 -6.191 1.524 -9.067 1.00 0.00 N ATOM 1371 CA THR A 85 -5.101 0.697 -9.569 1.00 0.00 C ATOM 1372 C THR A 85 -5.350 -0.778 -9.277 1.00 0.00 C ATOM 1373 O THR A 85 -5.684 -1.152 -8.152 1.00 0.00 O ATOM 1374 CB THR A 85 -3.752 1.111 -8.951 1.00 0.00 C ATOM 1375 OG1 THR A 85 -2.693 0.337 -9.525 1.00 0.00 O ATOM 1376 CG2 THR A 85 -3.766 0.919 -7.442 1.00 0.00 C ATOM 0 H THR A 85 -6.636 1.167 -8.221 1.00 0.00 H new ATOM 0 HA THR A 85 -5.060 0.848 -10.648 1.00 0.00 H new ATOM 0 HB THR A 85 -3.588 2.167 -9.165 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.839 0.798 -9.387 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.803 1.218 -7.028 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.555 1.531 -7.005 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.951 -0.130 -7.210 1.00 0.00 H new ATOM 1384 N THR A 86 -5.185 -1.615 -10.297 1.00 0.00 N ATOM 1385 CA THR A 86 -5.392 -3.050 -10.149 1.00 0.00 C ATOM 1386 C THR A 86 -4.098 -3.755 -9.760 1.00 0.00 C ATOM 1387 O THR A 86 -3.034 -3.469 -10.308 1.00 0.00 O ATOM 1388 CB THR A 86 -5.933 -3.675 -11.449 1.00 0.00 C ATOM 1389 OG1 THR A 86 -5.195 -3.184 -12.573 1.00 0.00 O ATOM 1390 CG2 THR A 86 -7.411 -3.359 -11.628 1.00 0.00 C ATOM 0 H THR A 86 -4.909 -1.323 -11.234 1.00 0.00 H new ATOM 0 HA THR A 86 -6.127 -3.184 -9.356 1.00 0.00 H new ATOM 0 HB THR A 86 -5.815 -4.757 -11.382 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.544 -3.587 -13.395 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.770 -3.811 -12.553 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.974 -3.761 -10.785 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.549 -2.279 -11.674 1.00 0.00 H new ATOM 1398 N VAL A 87 -4.197 -4.680 -8.810 1.00 0.00 N ATOM 1399 CA VAL A 87 -3.034 -5.428 -8.348 1.00 0.00 C ATOM 1400 C VAL A 87 -3.414 -6.854 -7.966 1.00 0.00 C ATOM 1401 O VAL A 87 -4.498 -7.097 -7.436 1.00 0.00 O ATOM 1402 CB VAL A 87 -2.371 -4.744 -7.137 1.00 0.00 C ATOM 1403 CG1 VAL A 87 -3.380 -4.547 -6.016 1.00 0.00 C ATOM 1404 CG2 VAL A 87 -1.178 -5.555 -6.655 1.00 0.00 C ATOM 0 H VAL A 87 -5.070 -4.929 -8.346 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.325 -5.453 -9.175 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.013 -3.762 -7.447 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.893 -4.063 -5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.200 -3.922 -6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.771 -5.515 -5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.722 -5.057 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.510 -6.551 -6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.446 -5.639 -7.459 1.00 0.00 H new ATOM 1414 N GLU A 88 -2.514 -7.794 -8.239 1.00 0.00 N ATOM 1415 CA GLU A 88 -2.757 -9.197 -7.924 1.00 0.00 C ATOM 1416 C GLU A 88 -2.076 -9.586 -6.615 1.00 0.00 C ATOM 1417 O GLU A 88 -0.935 -9.200 -6.357 1.00 0.00 O ATOM 1418 CB GLU A 88 -2.253 -10.091 -9.059 1.00 0.00 C ATOM 1419 CG GLU A 88 -3.062 -9.965 -10.339 1.00 0.00 C ATOM 1420 CD GLU A 88 -2.290 -10.412 -11.564 1.00 0.00 C ATOM 1421 OE1 GLU A 88 -1.766 -11.546 -11.555 1.00 0.00 O ATOM 1422 OE2 GLU A 88 -2.209 -9.628 -12.533 1.00 0.00 O ATOM 0 H GLU A 88 -1.611 -7.610 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.832 -9.337 -7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.213 -9.843 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.272 -11.129 -8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.971 -10.560 -10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.372 -8.928 -10.468 1.00 0.00 H new ATOM 1429 N LEU A 89 -2.784 -10.352 -5.792 1.00 0.00 N ATOM 1430 CA LEU A 89 -2.250 -10.794 -4.509 1.00 0.00 C ATOM 1431 C LEU A 89 -1.543 -12.138 -4.647 1.00 0.00 C ATOM 1432 O LEU A 89 -0.647 -12.463 -3.867 1.00 0.00 O ATOM 1433 CB LEU A 89 -3.373 -10.898 -3.475 1.00 0.00 C ATOM 1434 CG LEU A 89 -4.061 -9.587 -3.096 1.00 0.00 C ATOM 1435 CD1 LEU A 89 -5.505 -9.839 -2.692 1.00 0.00 C ATOM 1436 CD2 LEU A 89 -3.304 -8.892 -1.973 1.00 0.00 C ATOM 0 H LEU A 89 -3.729 -10.680 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.523 -10.055 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.129 -11.584 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.965 -11.346 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.058 -8.933 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.978 -8.894 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.042 -10.292 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.531 -10.512 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.808 -7.960 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.274 -9.541 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.287 -8.676 -2.299 1.00 0.00 H new ATOM 1448 N TYR A 90 -1.950 -12.915 -5.644 1.00 0.00 N ATOM 1449 CA TYR A 90 -1.356 -14.225 -5.885 1.00 0.00 C ATOM 1450 C TYR A 90 0.045 -14.088 -6.471 1.00 0.00 C ATOM 1451 O TYR A 90 1.038 -14.404 -5.816 1.00 0.00 O ATOM 1452 CB TYR A 90 -2.239 -15.042 -6.829 1.00 0.00 C ATOM 1453 CG TYR A 90 -1.720 -16.439 -7.086 1.00 0.00 C ATOM 1454 CD1 TYR A 90 -1.621 -17.365 -6.055 1.00 0.00 C ATOM 1455 CD2 TYR A 90 -1.329 -16.833 -8.360 1.00 0.00 C ATOM 1456 CE1 TYR A 90 -1.147 -18.642 -6.284 1.00 0.00 C ATOM 1457 CE2 TYR A 90 -0.855 -18.108 -8.599 1.00 0.00 C ATOM 1458 CZ TYR A 90 -0.765 -19.009 -7.558 1.00 0.00 C ATOM 1459 OH TYR A 90 -0.293 -20.280 -7.791 1.00 0.00 O ATOM 0 H TYR A 90 -2.689 -12.661 -6.299 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.281 -14.744 -4.929 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.242 -15.108 -6.408 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.326 -14.515 -7.779 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.920 -17.081 -5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.397 -16.130 -9.177 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.076 -19.349 -5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.556 -18.398 -9.595 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.069 -20.377 -8.740 1.00 0.00 H new ATOM 1469 N SER A 91 0.117 -13.614 -7.711 1.00 0.00 N ATOM 1470 CA SER A 91 1.396 -13.437 -8.388 1.00 0.00 C ATOM 1471 C SER A 91 2.359 -12.622 -7.529 1.00 0.00 C ATOM 1472 O SER A 91 3.558 -12.899 -7.487 1.00 0.00 O ATOM 1473 CB SER A 91 1.191 -12.747 -9.739 1.00 0.00 C ATOM 1474 OG SER A 91 0.898 -11.371 -9.569 1.00 0.00 O ATOM 0 H SER A 91 -0.695 -13.346 -8.267 1.00 0.00 H new ATOM 0 HA SER A 91 1.830 -14.423 -8.553 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.088 -12.859 -10.348 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.377 -13.231 -10.279 1.00 0.00 H new ATOM 0 HG SER A 91 0.773 -10.952 -10.446 1.00 0.00 H new ATOM 1480 N LEU A 92 1.824 -11.616 -6.846 1.00 0.00 N ATOM 1481 CA LEU A 92 2.634 -10.760 -5.987 1.00 0.00 C ATOM 1482 C LEU A 92 3.428 -11.590 -4.983 1.00 0.00 C ATOM 1483 O LEU A 92 4.588 -11.293 -4.697 1.00 0.00 O ATOM 1484 CB LEU A 92 1.745 -9.759 -5.247 1.00 0.00 C ATOM 1485 CG LEU A 92 2.424 -8.941 -4.148 1.00 0.00 C ATOM 1486 CD1 LEU A 92 3.490 -8.032 -4.741 1.00 0.00 C ATOM 1487 CD2 LEU A 92 1.396 -8.126 -3.377 1.00 0.00 C ATOM 0 H LEU A 92 0.834 -11.373 -6.870 1.00 0.00 H new ATOM 0 HA LEU A 92 3.337 -10.216 -6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.324 -9.069 -5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.911 -10.303 -4.804 1.00 0.00 H new ATOM 0 HG LEU A 92 2.907 -9.630 -3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.963 -7.458 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.242 -8.636 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.030 -7.350 -5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.897 -7.550 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.885 -7.446 -4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.668 -8.797 -2.920 1.00 0.00 H new ATOM 1499 N ALA A 93 2.797 -12.632 -4.454 1.00 0.00 N ATOM 1500 CA ALA A 93 3.445 -13.508 -3.486 1.00 0.00 C ATOM 1501 C ALA A 93 4.688 -14.160 -4.082 1.00 0.00 C ATOM 1502 O ALA A 93 5.606 -14.544 -3.359 1.00 0.00 O ATOM 1503 CB ALA A 93 2.471 -14.570 -2.999 1.00 0.00 C ATOM 0 H ALA A 93 1.836 -12.891 -4.680 1.00 0.00 H new ATOM 0 HA ALA A 93 3.757 -12.901 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.969 -15.217 -2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.615 -14.089 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.130 -15.166 -3.845 1.00 0.00 H new ATOM 1509 N GLU A 94 4.709 -14.283 -5.406 1.00 0.00 N ATOM 1510 CA GLU A 94 5.839 -14.891 -6.098 1.00 0.00 C ATOM 1511 C GLU A 94 6.913 -13.851 -6.404 1.00 0.00 C ATOM 1512 O GLU A 94 8.108 -14.137 -6.329 1.00 0.00 O ATOM 1513 CB GLU A 94 5.373 -15.556 -7.395 1.00 0.00 C ATOM 1514 CG GLU A 94 4.289 -16.600 -7.189 1.00 0.00 C ATOM 1515 CD GLU A 94 4.195 -17.579 -8.343 1.00 0.00 C ATOM 1516 OE1 GLU A 94 3.895 -17.140 -9.472 1.00 0.00 O ATOM 1517 OE2 GLU A 94 4.423 -18.786 -8.116 1.00 0.00 O ATOM 0 H GLU A 94 3.957 -13.970 -6.020 1.00 0.00 H new ATOM 0 HA GLU A 94 6.268 -15.649 -5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 94 5.002 -14.788 -8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.229 -16.024 -7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.488 -17.148 -6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.328 -16.101 -7.062 1.00 0.00 H new ATOM 1524 N ARG A 95 6.478 -12.644 -6.749 1.00 0.00 N ATOM 1525 CA ARG A 95 7.401 -11.561 -7.068 1.00 0.00 C ATOM 1526 C ARG A 95 8.318 -11.262 -5.886 1.00 0.00 C ATOM 1527 O ARG A 95 9.523 -11.072 -6.054 1.00 0.00 O ATOM 1528 CB ARG A 95 6.628 -10.301 -7.459 1.00 0.00 C ATOM 1529 CG ARG A 95 7.410 -9.361 -8.362 1.00 0.00 C ATOM 1530 CD ARG A 95 6.486 -8.418 -9.118 1.00 0.00 C ATOM 1531 NE ARG A 95 7.103 -7.913 -10.342 1.00 0.00 N ATOM 1532 CZ ARG A 95 6.643 -6.867 -11.019 1.00 0.00 C ATOM 1533 NH1 ARG A 95 5.567 -6.219 -10.593 1.00 0.00 N ATOM 1534 NH2 ARG A 95 7.259 -6.467 -12.124 1.00 0.00 N ATOM 0 H ARG A 95 5.492 -12.391 -6.815 1.00 0.00 H new ATOM 0 HA ARG A 95 8.015 -11.878 -7.911 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.707 -10.592 -7.963 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.341 -9.766 -6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.113 -8.781 -7.764 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.999 -9.942 -9.072 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.561 -8.938 -9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.218 -7.580 -8.475 1.00 0.00 H new ATOM 0 HE ARG A 95 7.932 -8.390 -10.696 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.091 -6.524 -9.744 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.216 -5.416 -11.115 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.087 -6.963 -12.454 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.905 -5.664 -12.643 1.00 0.00 H new ATOM 1548 N CYS A 96 7.739 -11.222 -4.691 1.00 0.00 N ATOM 1549 CA CYS A 96 8.504 -10.945 -3.480 1.00 0.00 C ATOM 1550 C CYS A 96 9.685 -11.901 -3.352 1.00 0.00 C ATOM 1551 O CYS A 96 10.805 -11.484 -3.054 1.00 0.00 O ATOM 1552 CB CYS A 96 7.605 -11.057 -2.247 1.00 0.00 C ATOM 1553 SG CYS A 96 6.122 -10.026 -2.319 1.00 0.00 S ATOM 0 H CYS A 96 6.743 -11.378 -4.535 1.00 0.00 H new ATOM 0 HA CYS A 96 8.890 -9.928 -3.548 1.00 0.00 H new ATOM 0 HB2 CYS A 96 7.305 -12.098 -2.122 1.00 0.00 H new ATOM 0 HB3 CYS A 96 8.182 -10.783 -1.364 1.00 0.00 H new ATOM 0 HG CYS A 96 5.357 -10.434 -3.287 1.00 0.00 H new ATOM 1559 N ARG A 97 9.427 -13.185 -3.577 1.00 0.00 N ATOM 1560 CA ARG A 97 10.469 -14.201 -3.484 1.00 0.00 C ATOM 1561 C ARG A 97 11.631 -13.876 -4.418 1.00 0.00 C ATOM 1562 O ARG A 97 12.790 -14.144 -4.102 1.00 0.00 O ATOM 1563 CB ARG A 97 9.898 -15.579 -3.823 1.00 0.00 C ATOM 1564 CG ARG A 97 8.775 -16.018 -2.898 1.00 0.00 C ATOM 1565 CD ARG A 97 8.485 -17.504 -3.040 1.00 0.00 C ATOM 1566 NE ARG A 97 7.977 -17.839 -4.367 1.00 0.00 N ATOM 1567 CZ ARG A 97 7.377 -18.988 -4.656 1.00 0.00 C ATOM 1568 NH1 ARG A 97 7.210 -19.908 -3.716 1.00 0.00 N ATOM 1569 NH2 ARG A 97 6.941 -19.219 -5.888 1.00 0.00 N ATOM 0 H ARG A 97 8.506 -13.547 -3.825 1.00 0.00 H new ATOM 0 HA ARG A 97 10.841 -14.211 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.529 -15.568 -4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.700 -16.316 -3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.045 -15.796 -1.866 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.874 -15.447 -3.122 1.00 0.00 H new ATOM 0 HD2 ARG A 97 9.396 -18.071 -2.847 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.757 -17.805 -2.287 1.00 0.00 H new ATOM 0 HE ARG A 97 8.089 -17.153 -5.113 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.543 -19.734 -2.768 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.749 -20.789 -3.941 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.067 -18.514 -6.614 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.480 -20.102 -6.109 1.00 0.00 H new ATOM 1583 N LYS A 98 11.312 -13.296 -5.570 1.00 0.00 N ATOM 1584 CA LYS A 98 12.328 -12.933 -6.551 1.00 0.00 C ATOM 1585 C LYS A 98 13.326 -11.943 -5.960 1.00 0.00 C ATOM 1586 O LYS A 98 14.466 -11.851 -6.413 1.00 0.00 O ATOM 1587 CB LYS A 98 11.673 -12.330 -7.796 1.00 0.00 C ATOM 1588 CG LYS A 98 10.497 -13.139 -8.316 1.00 0.00 C ATOM 1589 CD LYS A 98 10.040 -12.646 -9.679 1.00 0.00 C ATOM 1590 CE LYS A 98 9.510 -13.786 -10.535 1.00 0.00 C ATOM 1591 NZ LYS A 98 8.649 -13.292 -11.645 1.00 0.00 N ATOM 0 H LYS A 98 10.357 -13.067 -5.847 1.00 0.00 H new ATOM 0 HA LYS A 98 12.864 -13.839 -6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.335 -11.320 -7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.421 -12.244 -8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.779 -14.190 -8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.670 -13.076 -7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.263 -11.893 -9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.872 -12.162 -10.190 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.347 -14.350 -10.948 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.939 -14.474 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.308 -14.099 -12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.837 -12.776 -11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.201 -12.656 -12.255 1.00 0.00 H new ATOM 1605 N ASN A 99 12.890 -11.205 -4.944 1.00 0.00 N ATOM 1606 CA ASN A 99 13.746 -10.222 -4.290 1.00 0.00 C ATOM 1607 C ASN A 99 14.405 -10.816 -3.048 1.00 0.00 C ATOM 1608 O ASN A 99 14.777 -10.093 -2.125 1.00 0.00 O ATOM 1609 CB ASN A 99 12.935 -8.983 -3.907 1.00 0.00 C ATOM 1610 CG ASN A 99 12.837 -7.982 -5.042 1.00 0.00 C ATOM 1611 OD1 ASN A 99 13.253 -6.831 -4.908 1.00 0.00 O ATOM 1612 ND2 ASN A 99 12.285 -8.418 -6.169 1.00 0.00 N ATOM 0 H ASN A 99 11.949 -11.269 -4.556 1.00 0.00 H new ATOM 0 HA ASN A 99 14.528 -9.933 -4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.932 -9.287 -3.607 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.395 -8.504 -3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.192 -7.790 -6.968 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.954 -9.380 -6.236 1.00 0.00 H new ATOM 1619 N ASN A 100 14.546 -12.137 -3.034 1.00 0.00 N ATOM 1620 CA ASN A 100 15.161 -12.828 -1.907 1.00 0.00 C ATOM 1621 C ASN A 100 14.389 -12.559 -0.618 1.00 0.00 C ATOM 1622 O ASN A 100 14.935 -12.671 0.479 1.00 0.00 O ATOM 1623 CB ASN A 100 16.617 -12.388 -1.744 1.00 0.00 C ATOM 1624 CG ASN A 100 17.501 -13.500 -1.213 1.00 0.00 C ATOM 1625 OD1 ASN A 100 18.103 -14.250 -1.982 1.00 0.00 O ATOM 1626 ND2 ASN A 100 17.583 -13.611 0.108 1.00 0.00 N ATOM 0 H ASN A 100 14.243 -12.751 -3.790 1.00 0.00 H new ATOM 0 HA ASN A 100 15.133 -13.899 -2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 100 17.001 -12.050 -2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 100 16.662 -11.536 -1.066 1.00 0.00 H new ATOM 0 HD21 ASN A 100 18.163 -14.340 0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 100 17.066 -12.967 0.707 1.00 0.00 H new ATOM 1633 N GLY A 101 13.116 -12.205 -0.760 1.00 0.00 N ATOM 1634 CA GLY A 101 12.290 -11.926 0.400 1.00 0.00 C ATOM 1635 C GLY A 101 11.136 -10.995 0.081 1.00 0.00 C ATOM 1636 O GLY A 101 10.025 -11.445 -0.201 1.00 0.00 O ATOM 0 H GLY A 101 12.642 -12.106 -1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.898 -12.863 0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.906 -11.482 1.182 1.00 0.00 H new ATOM 1640 N LYS A 102 11.399 -9.694 0.125 1.00 0.00 N ATOM 1641 CA LYS A 102 10.375 -8.696 -0.161 1.00 0.00 C ATOM 1642 C LYS A 102 10.768 -7.842 -1.362 1.00 0.00 C ATOM 1643 O LYS A 102 11.945 -7.542 -1.565 1.00 0.00 O ATOM 1644 CB LYS A 102 10.147 -7.803 1.061 1.00 0.00 C ATOM 1645 CG LYS A 102 11.344 -6.937 1.413 1.00 0.00 C ATOM 1646 CD LYS A 102 11.231 -5.553 0.797 1.00 0.00 C ATOM 1647 CE LYS A 102 11.587 -4.466 1.800 1.00 0.00 C ATOM 1648 NZ LYS A 102 10.373 -3.863 2.418 1.00 0.00 N ATOM 0 H LYS A 102 12.313 -9.305 0.356 1.00 0.00 H new ATOM 0 HA LYS A 102 9.449 -9.220 -0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.286 -7.160 0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.898 -8.430 1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.424 -6.849 2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.258 -7.418 1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.892 -5.483 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.215 -5.397 0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.222 -4.886 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.166 -3.688 1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.625 -3.436 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.990 -3.130 1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.656 -4.601 2.566 1.00 0.00 H new ATOM 1662 N THR A 103 9.775 -7.450 -2.155 1.00 0.00 N ATOM 1663 CA THR A 103 10.018 -6.630 -3.335 1.00 0.00 C ATOM 1664 C THR A 103 9.149 -5.378 -3.322 1.00 0.00 C ATOM 1665 O THR A 103 7.971 -5.433 -2.971 1.00 0.00 O ATOM 1666 CB THR A 103 9.746 -7.416 -4.631 1.00 0.00 C ATOM 1667 OG1 THR A 103 10.196 -6.664 -5.764 1.00 0.00 O ATOM 1668 CG2 THR A 103 8.264 -7.724 -4.777 1.00 0.00 C ATOM 0 H THR A 103 8.795 -7.687 -2.001 1.00 0.00 H new ATOM 0 HA THR A 103 11.069 -6.341 -3.308 1.00 0.00 H new ATOM 0 HB THR A 103 10.293 -8.357 -4.580 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.021 -7.171 -6.584 1.00 0.00 H new ATOM 0 HG21 THR A 103 8.097 -8.280 -5.700 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.931 -8.322 -3.928 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.700 -6.792 -4.808 1.00 0.00 H new ATOM 1676 N GLU A 104 9.738 -4.250 -3.708 1.00 0.00 N ATOM 1677 CA GLU A 104 9.015 -2.984 -3.740 1.00 0.00 C ATOM 1678 C GLU A 104 8.440 -2.721 -5.129 1.00 0.00 C ATOM 1679 O GLU A 104 9.141 -2.837 -6.135 1.00 0.00 O ATOM 1680 CB GLU A 104 9.939 -1.834 -3.333 1.00 0.00 C ATOM 1681 CG GLU A 104 10.517 -1.983 -1.935 1.00 0.00 C ATOM 1682 CD GLU A 104 11.879 -1.331 -1.795 1.00 0.00 C ATOM 1683 OE1 GLU A 104 11.928 -0.106 -1.559 1.00 0.00 O ATOM 1684 OE2 GLU A 104 12.895 -2.046 -1.921 1.00 0.00 O ATOM 0 H GLU A 104 10.713 -4.187 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 104 8.190 -3.047 -3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.757 -1.765 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 104 9.386 -0.897 -3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.831 -1.541 -1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.598 -3.042 -1.690 1.00 0.00 H new ATOM 1691 N ILE A 105 7.160 -2.367 -5.175 1.00 0.00 N ATOM 1692 CA ILE A 105 6.490 -2.088 -6.439 1.00 0.00 C ATOM 1693 C ILE A 105 5.750 -0.755 -6.386 1.00 0.00 C ATOM 1694 O ILE A 105 5.037 -0.468 -5.425 1.00 0.00 O ATOM 1695 CB ILE A 105 5.493 -3.202 -6.806 1.00 0.00 C ATOM 1696 CG1 ILE A 105 6.212 -4.548 -6.906 1.00 0.00 C ATOM 1697 CG2 ILE A 105 4.789 -2.873 -8.114 1.00 0.00 C ATOM 1698 CD1 ILE A 105 5.280 -5.738 -6.842 1.00 0.00 C ATOM 0 H ILE A 105 6.566 -2.267 -4.352 1.00 0.00 H new ATOM 0 HA ILE A 105 7.265 -2.040 -7.204 1.00 0.00 H new ATOM 0 HB ILE A 105 4.742 -3.270 -6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.770 -4.584 -7.842 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.940 -4.623 -6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.087 -3.670 -8.360 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.248 -1.933 -8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.527 -2.780 -8.911 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.859 -6.658 -6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.740 -5.727 -5.895 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.568 -5.687 -7.666 1.00 0.00 H new ATOM 1710 N TRP A 106 5.924 0.053 -7.425 1.00 0.00 N ATOM 1711 CA TRP A 106 5.271 1.355 -7.498 1.00 0.00 C ATOM 1712 C TRP A 106 3.961 1.264 -8.273 1.00 0.00 C ATOM 1713 O TRP A 106 3.960 1.073 -9.490 1.00 0.00 O ATOM 1714 CB TRP A 106 6.198 2.377 -8.158 1.00 0.00 C ATOM 1715 CG TRP A 106 7.256 2.902 -7.235 1.00 0.00 C ATOM 1716 CD1 TRP A 106 8.470 2.334 -6.973 1.00 0.00 C ATOM 1717 CD2 TRP A 106 7.193 4.099 -6.452 1.00 0.00 C ATOM 1718 NE1 TRP A 106 9.165 3.106 -6.073 1.00 0.00 N ATOM 1719 CE2 TRP A 106 8.404 4.195 -5.739 1.00 0.00 C ATOM 1720 CE3 TRP A 106 6.232 5.100 -6.284 1.00 0.00 C ATOM 1721 CZ2 TRP A 106 8.676 5.250 -4.873 1.00 0.00 C ATOM 1722 CZ3 TRP A 106 6.504 6.147 -5.424 1.00 0.00 C ATOM 1723 CH2 TRP A 106 7.718 6.216 -4.728 1.00 0.00 C ATOM 0 H TRP A 106 6.511 -0.170 -8.228 1.00 0.00 H new ATOM 0 HA TRP A 106 5.049 1.680 -6.482 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.676 1.918 -9.023 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.602 3.211 -8.528 1.00 0.00 H new ATOM 0 HD1 TRP A 106 8.831 1.414 -7.409 1.00 0.00 H new ATOM 0 HE1 TRP A 106 10.097 2.901 -5.712 1.00 0.00 H new ATOM 0 HE3 TRP A 106 5.294 5.056 -6.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 9.611 5.304 -4.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 5.768 6.925 -5.286 1.00 0.00 H new ATOM 0 HH2 TRP A 106 7.901 7.048 -4.064 1.00 0.00 H new ATOM 1734 N LEU A 107 2.847 1.403 -7.562 1.00 0.00 N ATOM 1735 CA LEU A 107 1.529 1.337 -8.184 1.00 0.00 C ATOM 1736 C LEU A 107 1.214 2.629 -8.930 1.00 0.00 C ATOM 1737 O LEU A 107 1.339 3.721 -8.378 1.00 0.00 O ATOM 1738 CB LEU A 107 0.457 1.071 -7.126 1.00 0.00 C ATOM 1739 CG LEU A 107 0.664 -0.172 -6.259 1.00 0.00 C ATOM 1740 CD1 LEU A 107 -0.106 -0.046 -4.953 1.00 0.00 C ATOM 1741 CD2 LEU A 107 0.238 -1.424 -7.012 1.00 0.00 C ATOM 0 H LEU A 107 2.830 1.562 -6.555 1.00 0.00 H new ATOM 0 HA LEU A 107 1.534 0.517 -8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.397 1.940 -6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -0.507 0.983 -7.628 1.00 0.00 H new ATOM 0 HG LEU A 107 1.725 -0.256 -6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.053 -0.939 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.246 0.829 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.169 0.063 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.392 -2.299 -6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.817 -1.348 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.833 -1.523 -7.920 1.00 0.00 H new ATOM 1753 N GLU A 108 0.803 2.495 -10.187 1.00 0.00 N ATOM 1754 CA GLU A 108 0.468 3.653 -11.008 1.00 0.00 C ATOM 1755 C GLU A 108 -1.027 3.953 -10.941 1.00 0.00 C ATOM 1756 O GLU A 108 -1.822 3.373 -11.681 1.00 0.00 O ATOM 1757 CB GLU A 108 0.887 3.415 -12.460 1.00 0.00 C ATOM 1758 CG GLU A 108 2.346 3.019 -12.616 1.00 0.00 C ATOM 1759 CD GLU A 108 2.904 3.372 -13.981 1.00 0.00 C ATOM 1760 OE1 GLU A 108 3.257 4.551 -14.192 1.00 0.00 O ATOM 1761 OE2 GLU A 108 2.987 2.468 -14.839 1.00 0.00 O ATOM 0 H GLU A 108 0.694 1.597 -10.659 1.00 0.00 H new ATOM 0 HA GLU A 108 1.012 4.513 -10.617 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.259 2.633 -12.887 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.702 4.322 -13.036 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.937 3.515 -11.847 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.447 1.946 -12.453 1.00 0.00 H new ATOM 1768 N LEU A 109 -1.402 4.864 -10.049 1.00 0.00 N ATOM 1769 CA LEU A 109 -2.801 5.242 -9.884 1.00 0.00 C ATOM 1770 C LEU A 109 -3.254 6.159 -11.015 1.00 0.00 C ATOM 1771 O LEU A 109 -2.570 7.123 -11.360 1.00 0.00 O ATOM 1772 CB LEU A 109 -3.006 5.936 -8.536 1.00 0.00 C ATOM 1773 CG LEU A 109 -2.275 5.317 -7.344 1.00 0.00 C ATOM 1774 CD1 LEU A 109 -2.299 6.263 -6.154 1.00 0.00 C ATOM 1775 CD2 LEU A 109 -2.893 3.976 -6.976 1.00 0.00 C ATOM 0 H LEU A 109 -0.757 5.354 -9.429 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.403 4.334 -9.914 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.688 6.974 -8.632 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.073 5.949 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.236 5.149 -7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.774 5.806 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.808 7.198 -6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.332 6.464 -5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.360 3.551 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.941 4.118 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.821 3.297 -7.826 1.00 0.00 H new ATOM 1787 N LYS A 110 -4.413 5.854 -11.589 1.00 0.00 N ATOM 1788 CA LYS A 110 -4.961 6.652 -12.679 1.00 0.00 C ATOM 1789 C LYS A 110 -6.303 7.262 -12.286 1.00 0.00 C ATOM 1790 O LYS A 110 -6.993 6.785 -11.385 1.00 0.00 O ATOM 1791 CB LYS A 110 -5.128 5.793 -13.934 1.00 0.00 C ATOM 1792 CG LYS A 110 -3.819 5.492 -14.644 1.00 0.00 C ATOM 1793 CD LYS A 110 -3.438 6.605 -15.605 1.00 0.00 C ATOM 1794 CE LYS A 110 -2.219 6.232 -16.435 1.00 0.00 C ATOM 1795 NZ LYS A 110 -2.529 5.167 -17.428 1.00 0.00 N ATOM 0 H LYS A 110 -4.991 5.059 -11.317 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.262 7.461 -12.890 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.607 4.853 -13.660 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.798 6.302 -14.626 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.027 5.359 -13.907 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.908 4.553 -15.190 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.278 6.820 -16.266 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.233 7.517 -15.044 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.849 7.116 -16.954 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.421 5.892 -15.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.736 5.071 -18.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.677 4.264 -16.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.391 5.421 -17.951 1.00 0.00 H new ATOM 1809 N PRO A 111 -6.688 8.344 -12.978 1.00 0.00 N ATOM 1810 CA PRO A 111 -5.972 9.015 -14.068 1.00 0.00 C ATOM 1811 C PRO A 111 -4.718 9.734 -13.583 1.00 0.00 C ATOM 1812 O PRO A 111 -3.866 10.121 -14.382 1.00 0.00 O ATOM 1813 CB PRO A 111 -6.996 10.023 -14.597 1.00 0.00 C ATOM 1814 CG PRO A 111 -7.899 10.287 -13.442 1.00 0.00 C ATOM 1815 CD PRO A 111 -7.970 8.999 -12.669 1.00 0.00 C ATOM 0 HA PRO A 111 -5.621 8.309 -14.820 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -6.511 10.938 -14.938 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -7.547 9.619 -15.446 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.512 11.094 -12.820 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -8.888 10.593 -13.782 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -8.082 9.178 -11.600 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.818 8.389 -12.981 1.00 0.00 H new ATOM 1823 N GLN A 112 -4.612 9.908 -12.270 1.00 0.00 N ATOM 1824 CA GLN A 112 -3.462 10.581 -11.679 1.00 0.00 C ATOM 1825 C GLN A 112 -3.201 10.073 -10.265 1.00 0.00 C ATOM 1826 O GLN A 112 -4.112 9.600 -9.586 1.00 0.00 O ATOM 1827 CB GLN A 112 -3.685 12.094 -11.657 1.00 0.00 C ATOM 1828 CG GLN A 112 -4.156 12.658 -12.988 1.00 0.00 C ATOM 1829 CD GLN A 112 -4.370 14.158 -12.942 1.00 0.00 C ATOM 1830 OE1 GLN A 112 -5.142 14.662 -12.126 1.00 0.00 O ATOM 1831 NE2 GLN A 112 -3.686 14.881 -13.821 1.00 0.00 N ATOM 0 H GLN A 112 -5.309 9.592 -11.595 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.589 10.359 -12.292 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -4.421 12.333 -10.889 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -2.755 12.586 -11.372 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -3.422 12.423 -13.758 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -5.087 12.170 -13.276 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -3.057 14.422 -14.480 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -3.790 15.896 -13.838 1.00 0.00 H new ATOM 1840 N GLY A 113 -1.949 10.173 -9.826 1.00 0.00 N ATOM 1841 CA GLY A 113 -1.591 9.720 -8.495 1.00 0.00 C ATOM 1842 C GLY A 113 -0.699 8.495 -8.521 1.00 0.00 C ATOM 1843 O GLY A 113 -0.691 7.745 -9.497 1.00 0.00 O ATOM 0 H GLY A 113 -1.177 10.560 -10.369 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.082 10.525 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.498 9.493 -7.935 1.00 0.00 H new ATOM 1847 N ARG A 114 0.056 8.292 -7.446 1.00 0.00 N ATOM 1848 CA ARG A 114 0.959 7.151 -7.351 1.00 0.00 C ATOM 1849 C ARG A 114 1.347 6.885 -5.899 1.00 0.00 C ATOM 1850 O ARG A 114 1.624 7.813 -5.140 1.00 0.00 O ATOM 1851 CB ARG A 114 2.215 7.395 -8.189 1.00 0.00 C ATOM 1852 CG ARG A 114 2.940 8.684 -7.838 1.00 0.00 C ATOM 1853 CD ARG A 114 4.349 8.704 -8.409 1.00 0.00 C ATOM 1854 NE ARG A 114 4.351 8.594 -9.865 1.00 0.00 N ATOM 1855 CZ ARG A 114 5.453 8.425 -10.587 1.00 0.00 C ATOM 1856 NH1 ARG A 114 6.635 8.347 -9.991 1.00 0.00 N ATOM 1857 NH2 ARG A 114 5.374 8.333 -11.909 1.00 0.00 N ATOM 0 H ARG A 114 0.060 8.903 -6.629 1.00 0.00 H new ATOM 0 HA ARG A 114 0.438 6.275 -7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.898 6.556 -8.057 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.939 7.419 -9.243 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.378 9.535 -8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 114 2.984 8.795 -6.755 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.846 9.628 -8.115 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.925 7.882 -7.983 1.00 0.00 H new ATOM 0 HE ARG A 114 3.458 8.650 -10.354 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.700 8.417 -8.975 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.479 8.217 -10.548 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.467 8.392 -12.371 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.221 8.203 -12.463 1.00 0.00 H new ATOM 1871 N MET A 115 1.363 5.611 -5.520 1.00 0.00 N ATOM 1872 CA MET A 115 1.718 5.223 -4.160 1.00 0.00 C ATOM 1873 C MET A 115 2.738 4.088 -4.167 1.00 0.00 C ATOM 1874 O MET A 115 2.817 3.317 -5.124 1.00 0.00 O ATOM 1875 CB MET A 115 0.469 4.797 -3.386 1.00 0.00 C ATOM 1876 CG MET A 115 -0.317 3.686 -4.064 1.00 0.00 C ATOM 1877 SD MET A 115 -1.444 2.844 -2.936 1.00 0.00 S ATOM 1878 CE MET A 115 -2.289 4.240 -2.198 1.00 0.00 C ATOM 0 H MET A 115 1.134 4.830 -6.135 1.00 0.00 H new ATOM 0 HA MET A 115 2.165 6.086 -3.667 1.00 0.00 H new ATOM 0 HB2 MET A 115 0.764 4.467 -2.390 1.00 0.00 H new ATOM 0 HB3 MET A 115 -0.180 5.663 -3.255 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.886 4.104 -4.895 1.00 0.00 H new ATOM 0 HG3 MET A 115 0.378 2.960 -4.486 1.00 0.00 H new ATOM 0 HE1 MET A 115 -3.302 3.948 -1.922 1.00 0.00 H new ATOM 0 HE2 MET A 115 -1.749 4.563 -1.308 1.00 0.00 H new ATOM 0 HE3 MET A 115 -2.331 5.060 -2.915 1.00 0.00 H new ATOM 1888 N LEU A 116 3.516 3.992 -3.095 1.00 0.00 N ATOM 1889 CA LEU A 116 4.532 2.951 -2.977 1.00 0.00 C ATOM 1890 C LEU A 116 3.947 1.689 -2.352 1.00 0.00 C ATOM 1891 O LEU A 116 3.308 1.743 -1.302 1.00 0.00 O ATOM 1892 CB LEU A 116 5.708 3.452 -2.138 1.00 0.00 C ATOM 1893 CG LEU A 116 7.091 2.947 -2.553 1.00 0.00 C ATOM 1894 CD1 LEU A 116 8.139 3.361 -1.531 1.00 0.00 C ATOM 1895 CD2 LEU A 116 7.078 1.435 -2.723 1.00 0.00 C ATOM 0 H LEU A 116 3.463 4.622 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 116 4.887 2.707 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.715 4.541 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.535 3.167 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 116 7.349 3.398 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 116 9.117 2.993 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.167 4.448 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.886 2.939 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.070 1.094 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.798 0.965 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.356 1.162 -3.493 1.00 0.00 H new ATOM 1907 N MET A 117 4.173 0.553 -3.004 1.00 0.00 N ATOM 1908 CA MET A 117 3.672 -0.724 -2.510 1.00 0.00 C ATOM 1909 C MET A 117 4.819 -1.616 -2.045 1.00 0.00 C ATOM 1910 O MET A 117 5.714 -1.945 -2.822 1.00 0.00 O ATOM 1911 CB MET A 117 2.866 -1.436 -3.598 1.00 0.00 C ATOM 1912 CG MET A 117 1.917 -2.494 -3.058 1.00 0.00 C ATOM 1913 SD MET A 117 1.064 -3.394 -4.366 1.00 0.00 S ATOM 1914 CE MET A 117 2.371 -4.476 -4.940 1.00 0.00 C ATOM 0 H MET A 117 4.700 0.491 -3.875 1.00 0.00 H new ATOM 0 HA MET A 117 3.022 -0.525 -1.658 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.292 -0.696 -4.156 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.555 -1.903 -4.302 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.477 -3.199 -2.443 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.181 -2.019 -2.409 1.00 0.00 H new ATOM 0 HE1 MET A 117 2.484 -4.369 -6.019 1.00 0.00 H new ATOM 0 HE2 MET A 117 3.307 -4.209 -4.449 1.00 0.00 H new ATOM 0 HE3 MET A 117 2.119 -5.509 -4.702 1.00 0.00 H new ATOM 1924 N ASN A 118 4.785 -2.002 -0.774 1.00 0.00 N ATOM 1925 CA ASN A 118 5.823 -2.855 -0.207 1.00 0.00 C ATOM 1926 C ASN A 118 5.246 -4.199 0.228 1.00 0.00 C ATOM 1927 O ASN A 118 4.609 -4.303 1.275 1.00 0.00 O ATOM 1928 CB ASN A 118 6.486 -2.163 0.986 1.00 0.00 C ATOM 1929 CG ASN A 118 7.683 -1.326 0.578 1.00 0.00 C ATOM 1930 OD1 ASN A 118 8.829 -1.698 0.829 1.00 0.00 O ATOM 1931 ND2 ASN A 118 7.421 -0.189 -0.056 1.00 0.00 N ATOM 0 H ASN A 118 4.050 -1.738 -0.117 1.00 0.00 H new ATOM 0 HA ASN A 118 6.572 -3.033 -0.978 1.00 0.00 H new ATOM 0 HB2 ASN A 118 5.755 -1.527 1.486 1.00 0.00 H new ATOM 0 HB3 ASN A 118 6.802 -2.915 1.709 1.00 0.00 H new ATOM 0 HD21 ASN A 118 8.186 0.416 -0.356 1.00 0.00 H new ATOM 0 HD22 ASN A 118 6.455 0.080 -0.243 1.00 0.00 H new ATOM 1938 N ALA A 119 5.475 -5.225 -0.585 1.00 0.00 N ATOM 1939 CA ALA A 119 4.980 -6.563 -0.284 1.00 0.00 C ATOM 1940 C ALA A 119 6.089 -7.444 0.282 1.00 0.00 C ATOM 1941 O ALA A 119 7.144 -7.601 -0.333 1.00 0.00 O ATOM 1942 CB ALA A 119 4.384 -7.198 -1.532 1.00 0.00 C ATOM 0 H ALA A 119 6.000 -5.155 -1.457 1.00 0.00 H new ATOM 0 HA ALA A 119 4.201 -6.474 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.018 -8.197 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.558 -6.586 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.149 -7.267 -2.306 1.00 0.00 H new ATOM 1948 N ARG A 120 5.843 -8.015 1.456 1.00 0.00 N ATOM 1949 CA ARG A 120 6.822 -8.878 2.106 1.00 0.00 C ATOM 1950 C ARG A 120 6.319 -10.317 2.172 1.00 0.00 C ATOM 1951 O ARG A 120 5.115 -10.568 2.104 1.00 0.00 O ATOM 1952 CB ARG A 120 7.128 -8.368 3.515 1.00 0.00 C ATOM 1953 CG ARG A 120 8.288 -9.087 4.185 1.00 0.00 C ATOM 1954 CD ARG A 120 8.995 -8.189 5.189 1.00 0.00 C ATOM 1955 NE ARG A 120 10.097 -8.877 5.856 1.00 0.00 N ATOM 1956 CZ ARG A 120 10.749 -8.378 6.900 1.00 0.00 C ATOM 1957 NH1 ARG A 120 10.412 -7.194 7.393 1.00 0.00 N ATOM 1958 NH2 ARG A 120 11.741 -9.064 7.454 1.00 0.00 N ATOM 0 H ARG A 120 4.974 -7.896 1.977 1.00 0.00 H new ATOM 0 HA ARG A 120 7.737 -8.858 1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.352 -7.302 3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.237 -8.478 4.134 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.921 -9.981 4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.999 -9.418 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.376 -7.304 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.279 -7.844 5.934 1.00 0.00 H new ATOM 0 HE ARG A 120 10.381 -9.790 5.501 1.00 0.00 H new ATOM 0 HH11 ARG A 120 9.650 -6.664 6.970 1.00 0.00 H new ATOM 0 HH12 ARG A 120 10.915 -6.814 8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 120 12.003 -9.975 7.078 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.241 -8.680 8.256 1.00 0.00 H new ATOM 1972 N TYR A 121 7.247 -11.257 2.305 1.00 0.00 N ATOM 1973 CA TYR A 121 6.899 -12.671 2.377 1.00 0.00 C ATOM 1974 C TYR A 121 6.871 -13.152 3.825 1.00 0.00 C ATOM 1975 O TYR A 121 7.801 -12.903 4.592 1.00 0.00 O ATOM 1976 CB TYR A 121 7.894 -13.506 1.570 1.00 0.00 C ATOM 1977 CG TYR A 121 7.358 -14.859 1.161 1.00 0.00 C ATOM 1978 CD1 TYR A 121 6.123 -14.980 0.537 1.00 0.00 C ATOM 1979 CD2 TYR A 121 8.088 -16.018 1.398 1.00 0.00 C ATOM 1980 CE1 TYR A 121 5.629 -16.214 0.162 1.00 0.00 C ATOM 1981 CE2 TYR A 121 7.603 -17.256 1.026 1.00 0.00 C ATOM 1982 CZ TYR A 121 6.373 -17.349 0.408 1.00 0.00 C ATOM 1983 OH TYR A 121 5.885 -18.581 0.035 1.00 0.00 O ATOM 0 H TYR A 121 8.247 -11.066 2.365 1.00 0.00 H new ATOM 0 HA TYR A 121 5.903 -12.795 1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 121 8.179 -12.952 0.676 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.800 -13.647 2.160 1.00 0.00 H new ATOM 0 HD1 TYR A 121 5.538 -14.093 0.342 1.00 0.00 H new ATOM 0 HD2 TYR A 121 9.051 -15.949 1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 121 4.666 -16.290 -0.321 1.00 0.00 H new ATOM 0 HE2 TYR A 121 8.183 -18.147 1.218 1.00 0.00 H new ATOM 0 HH TYR A 121 6.531 -19.276 0.279 1.00 0.00 H new ATOM 1993 N PHE A 122 5.796 -13.843 4.192 1.00 0.00 N ATOM 1994 CA PHE A 122 5.645 -14.359 5.547 1.00 0.00 C ATOM 1995 C PHE A 122 4.893 -15.687 5.543 1.00 0.00 C ATOM 1996 O PHE A 122 4.238 -16.039 4.561 1.00 0.00 O ATOM 1997 CB PHE A 122 4.907 -13.345 6.423 1.00 0.00 C ATOM 1998 CG PHE A 122 5.734 -12.141 6.772 1.00 0.00 C ATOM 1999 CD1 PHE A 122 6.905 -12.276 7.502 1.00 0.00 C ATOM 2000 CD2 PHE A 122 5.342 -10.874 6.372 1.00 0.00 C ATOM 2001 CE1 PHE A 122 7.667 -11.170 7.826 1.00 0.00 C ATOM 2002 CE2 PHE A 122 6.101 -9.764 6.692 1.00 0.00 C ATOM 2003 CZ PHE A 122 7.265 -9.912 7.419 1.00 0.00 C ATOM 0 H PHE A 122 5.017 -14.058 3.570 1.00 0.00 H new ATOM 0 HA PHE A 122 6.641 -14.527 5.958 1.00 0.00 H new ATOM 0 HB2 PHE A 122 4.005 -13.019 5.906 1.00 0.00 H new ATOM 0 HB3 PHE A 122 4.588 -13.836 7.342 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.225 -13.257 7.821 1.00 0.00 H new ATOM 0 HD2 PHE A 122 4.432 -10.752 5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.576 -11.288 8.397 1.00 0.00 H new ATOM 0 HE2 PHE A 122 5.784 -8.782 6.374 1.00 0.00 H new ATOM 0 HZ PHE A 122 7.860 -9.046 7.669 1.00 0.00 H new ATOM 2013 N LEU A 123 4.991 -16.419 6.646 1.00 0.00 N ATOM 2014 CA LEU A 123 4.321 -17.709 6.771 1.00 0.00 C ATOM 2015 C LEU A 123 3.443 -17.748 8.018 1.00 0.00 C ATOM 2016 O LEU A 123 3.506 -16.854 8.860 1.00 0.00 O ATOM 2017 CB LEU A 123 5.351 -18.839 6.823 1.00 0.00 C ATOM 2018 CG LEU A 123 5.761 -19.435 5.476 1.00 0.00 C ATOM 2019 CD1 LEU A 123 4.619 -20.243 4.880 1.00 0.00 C ATOM 2020 CD2 LEU A 123 6.198 -18.338 4.517 1.00 0.00 C ATOM 0 H LEU A 123 5.528 -16.142 7.468 1.00 0.00 H new ATOM 0 HA LEU A 123 3.685 -17.846 5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 123 6.246 -18.465 7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.952 -19.640 7.446 1.00 0.00 H new ATOM 0 HG LEU A 123 6.606 -20.104 5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 123 4.929 -20.659 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 123 4.354 -21.053 5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.754 -19.596 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 123 6.486 -18.781 3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.373 -17.643 4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.048 -17.803 4.940 1.00 0.00 H new