USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 648 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 SER OG : rot 180:sc=-0.00421 USER MOD Single : A 17 TYR OH : rot 164:sc= 0.51 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 179:sc= 0.187 USER MOD Single : A 29 SER OG : rot 32:sc= 0.537 USER MOD Single : A 30 SER OG : rot 55:sc= 0.163 USER MOD Single : A 35 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.6!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.05 K(o=-1,f=-0.02) USER MOD Single : A 41 SER OG : rot 32:sc= 0.269 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.829 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 58 CYS SG : rot 28:sc= 0.287 USER MOD Single : A 61 CYS SG : rot 180:sc= -7.07! USER MOD Single : A 65 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.28) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 69 TYR OH : rot -179:sc= 0.0478 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -157:sc= -0.316 (180deg=-1.31!) USER MOD Single : A 76 ASN : amide:sc= -0.33 K(o=-0.33,f=-1.2) USER MOD Single : A 77 TYR OH : rot -21:sc= 1.14 USER MOD Single : A 82 LYS NZ :NH3+ 163:sc= 0.156 (180deg=0.0824) USER MOD Single : A 83 TYR OH : rot -39:sc= 0.0363 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.834 K(o=-0.83,f=-1.5) USER MOD Single : A 92 SER OG : rot 9:sc= 0.527 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.224 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 10 7.080 -17.164 1.203 1.00 0.00 N ATOM 84 CA ASP A 10 6.186 -17.418 2.326 1.00 0.00 C ATOM 85 C ASP A 10 5.491 -16.134 2.769 1.00 0.00 C ATOM 86 O ASP A 10 6.086 -15.266 3.407 1.00 0.00 O ATOM 87 CB ASP A 10 6.962 -18.023 3.497 1.00 0.00 C ATOM 88 CG ASP A 10 7.286 -19.488 3.282 1.00 0.00 C ATOM 89 OD1 ASP A 10 6.389 -20.234 2.835 1.00 0.00 O ATOM 90 OD2 ASP A 10 8.435 -19.889 3.561 1.00 0.00 O ATOM 0 HA ASP A 10 5.425 -18.127 1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.888 -17.467 3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.378 -17.913 4.411 1.00 0.00 H new ATOM 95 N PRO A 11 4.202 -16.009 2.422 1.00 0.00 N ATOM 96 CA PRO A 11 3.398 -14.834 2.773 1.00 0.00 C ATOM 97 C PRO A 11 3.105 -14.757 4.267 1.00 0.00 C ATOM 98 O PRO A 11 2.992 -13.671 4.832 1.00 0.00 O ATOM 99 CB PRO A 11 2.103 -15.042 1.984 1.00 0.00 C ATOM 100 CG PRO A 11 2.012 -16.516 1.786 1.00 0.00 C ATOM 101 CD PRO A 11 3.428 -17.005 1.661 1.00 0.00 C ATOM 0 HA PRO A 11 3.913 -13.903 2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.241 -14.662 2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.132 -14.516 1.030 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.507 -16.992 2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.436 -16.755 0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.545 -18.007 2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.747 -17.051 0.620 1.00 0.00 H new ATOM 109 N GLY A 12 2.984 -15.919 4.902 1.00 0.00 N ATOM 110 CA GLY A 12 2.706 -15.961 6.326 1.00 0.00 C ATOM 111 C GLY A 12 3.738 -15.208 7.141 1.00 0.00 C ATOM 112 O GLY A 12 3.466 -14.788 8.267 1.00 0.00 O ATOM 0 H GLY A 12 3.074 -16.832 4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.720 -15.536 6.513 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.674 -16.999 6.656 1.00 0.00 H new ATOM 116 N LEU A 13 4.927 -15.037 6.574 1.00 0.00 N ATOM 117 CA LEU A 13 6.006 -14.331 7.256 1.00 0.00 C ATOM 118 C LEU A 13 6.158 -12.913 6.713 1.00 0.00 C ATOM 119 O LEU A 13 7.196 -12.277 6.890 1.00 0.00 O ATOM 120 CB LEU A 13 7.323 -15.094 7.096 1.00 0.00 C ATOM 121 CG LEU A 13 7.279 -16.585 7.431 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.672 -17.190 7.356 1.00 0.00 C ATOM 123 CD2 LEU A 13 6.674 -16.805 8.810 1.00 0.00 C ATOM 0 H LEU A 13 5.168 -15.378 5.643 1.00 0.00 H new ATOM 0 HA LEU A 13 5.754 -14.270 8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.661 -14.983 6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.073 -14.621 7.730 1.00 0.00 H new ATOM 0 HG LEU A 13 6.648 -17.084 6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.621 -18.252 7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.069 -17.066 6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.326 -16.687 8.068 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.651 -17.872 9.031 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.278 -16.292 9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.659 -16.408 8.829 1.00 0.00 H new ATOM 135 N VAL A 14 5.113 -12.423 6.053 1.00 0.00 N ATOM 136 CA VAL A 14 5.128 -11.080 5.488 1.00 0.00 C ATOM 137 C VAL A 14 4.066 -10.198 6.136 1.00 0.00 C ATOM 138 O VAL A 14 2.918 -10.610 6.299 1.00 0.00 O ATOM 139 CB VAL A 14 4.895 -11.109 3.965 1.00 0.00 C ATOM 140 CG1 VAL A 14 4.666 -9.703 3.433 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.070 -11.770 3.260 1.00 0.00 C ATOM 0 H VAL A 14 4.246 -12.937 5.897 1.00 0.00 H new ATOM 0 HA VAL A 14 6.115 -10.663 5.690 1.00 0.00 H new ATOM 0 HB VAL A 14 4.001 -11.698 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.503 -9.744 2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.790 -9.269 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.540 -9.087 3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.889 -11.782 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.981 -11.210 3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.182 -12.792 3.621 1.00 0.00 H new ATOM 151 N SER A 15 4.459 -8.983 6.505 1.00 0.00 N ATOM 152 CA SER A 15 3.541 -8.043 7.139 1.00 0.00 C ATOM 153 C SER A 15 3.860 -6.610 6.725 1.00 0.00 C ATOM 154 O SER A 15 4.977 -6.307 6.307 1.00 0.00 O ATOM 155 CB SER A 15 3.615 -8.175 8.661 1.00 0.00 C ATOM 156 OG SER A 15 3.406 -9.516 9.068 1.00 0.00 O ATOM 0 H SER A 15 5.406 -8.626 6.376 1.00 0.00 H new ATOM 0 HA SER A 15 2.530 -8.281 6.809 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.589 -7.833 9.012 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.866 -7.531 9.122 1.00 0.00 H new ATOM 0 HG SER A 15 3.460 -9.574 10.045 1.00 0.00 H new ATOM 162 N ALA A 16 2.869 -5.732 6.845 1.00 0.00 N ATOM 163 CA ALA A 16 3.043 -4.330 6.486 1.00 0.00 C ATOM 164 C ALA A 16 2.567 -3.413 7.608 1.00 0.00 C ATOM 165 O ALA A 16 1.507 -3.632 8.194 1.00 0.00 O ATOM 166 CB ALA A 16 2.299 -4.020 5.196 1.00 0.00 C ATOM 0 H ALA A 16 1.938 -5.967 7.188 1.00 0.00 H new ATOM 0 HA ALA A 16 4.107 -4.149 6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.437 -2.970 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.689 -4.644 4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.237 -4.224 5.331 1.00 0.00 H new ATOM 172 N TYR A 17 3.358 -2.386 7.901 1.00 0.00 N ATOM 173 CA TYR A 17 3.018 -1.438 8.955 1.00 0.00 C ATOM 174 C TYR A 17 3.244 -0.002 8.490 1.00 0.00 C ATOM 175 O TYR A 17 4.216 0.291 7.794 1.00 0.00 O ATOM 176 CB TYR A 17 3.850 -1.716 10.208 1.00 0.00 C ATOM 177 CG TYR A 17 5.342 -1.662 9.970 1.00 0.00 C ATOM 178 CD1 TYR A 17 5.991 -0.448 9.782 1.00 0.00 C ATOM 179 CD2 TYR A 17 6.102 -2.824 9.931 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.354 -0.393 9.562 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.466 -2.779 9.713 1.00 0.00 C ATOM 182 CZ TYR A 17 8.087 -1.561 9.530 1.00 0.00 C ATOM 183 OH TYR A 17 9.445 -1.512 9.312 1.00 0.00 O ATOM 0 H TYR A 17 4.238 -2.189 7.424 1.00 0.00 H new ATOM 0 HA TYR A 17 1.962 -1.562 9.193 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.587 -0.989 10.977 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.588 -2.700 10.596 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.420 0.469 9.808 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.619 -3.779 10.074 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.843 0.559 9.416 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.042 -3.692 9.686 1.00 0.00 H new ATOM 0 HH TYR A 17 9.848 -2.368 9.567 1.00 0.00 H new ATOM 193 N GLY A 18 2.339 0.889 8.880 1.00 0.00 N ATOM 194 CA GLY A 18 2.456 2.283 8.495 1.00 0.00 C ATOM 195 C GLY A 18 1.123 3.005 8.514 1.00 0.00 C ATOM 196 O GLY A 18 0.060 2.387 8.581 1.00 0.00 O ATOM 0 H GLY A 18 1.526 0.671 9.456 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.148 2.786 9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.885 2.346 7.495 1.00 0.00 H new ATOM 200 N PRO A 19 1.169 4.344 8.456 1.00 0.00 N ATOM 201 CA PRO A 19 -0.036 5.179 8.467 1.00 0.00 C ATOM 202 C PRO A 19 -0.840 5.053 7.177 1.00 0.00 C ATOM 203 O PRO A 19 -2.045 5.298 7.159 1.00 0.00 O ATOM 204 CB PRO A 19 0.518 6.598 8.615 1.00 0.00 C ATOM 205 CG PRO A 19 1.898 6.527 8.058 1.00 0.00 C ATOM 206 CD PRO A 19 2.401 5.146 8.375 1.00 0.00 C ATOM 0 HA PRO A 19 -0.725 4.890 9.261 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.092 7.320 8.071 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.528 6.912 9.659 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.894 6.704 6.982 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.539 7.288 8.504 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.072 4.775 7.600 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.956 5.126 9.313 1.00 0.00 H new ATOM 214 N GLY A 20 -0.164 4.668 6.099 1.00 0.00 N ATOM 215 CA GLY A 20 -0.832 4.516 4.820 1.00 0.00 C ATOM 216 C GLY A 20 -1.757 3.316 4.788 1.00 0.00 C ATOM 217 O GLY A 20 -2.702 3.272 3.999 1.00 0.00 O ATOM 0 H GLY A 20 0.834 4.459 6.089 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.404 5.418 4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.085 4.416 4.033 1.00 0.00 H new ATOM 221 N LEU A 21 -1.486 2.339 5.646 1.00 0.00 N ATOM 222 CA LEU A 21 -2.300 1.131 5.712 1.00 0.00 C ATOM 223 C LEU A 21 -3.507 1.337 6.623 1.00 0.00 C ATOM 224 O LEU A 21 -4.543 0.697 6.449 1.00 0.00 O ATOM 225 CB LEU A 21 -1.463 -0.046 6.215 1.00 0.00 C ATOM 226 CG LEU A 21 -0.148 -0.298 5.476 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.816 -1.083 6.353 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.403 -1.036 4.170 1.00 0.00 C ATOM 0 H LEU A 21 -0.708 2.360 6.306 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.659 0.910 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.239 0.118 7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.070 -0.950 6.155 1.00 0.00 H new ATOM 0 HG LEU A 21 0.306 0.666 5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.746 -1.253 5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.024 -0.518 7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.370 -2.042 6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.544 -1.207 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.880 -1.993 4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.056 -0.437 3.535 1.00 0.00 H new ATOM 240 N GLU A 22 -3.363 2.235 7.593 1.00 0.00 N ATOM 241 CA GLU A 22 -4.442 2.526 8.529 1.00 0.00 C ATOM 242 C GLU A 22 -5.212 3.772 8.102 1.00 0.00 C ATOM 243 O GLU A 22 -6.346 3.990 8.527 1.00 0.00 O ATOM 244 CB GLU A 22 -3.884 2.717 9.941 1.00 0.00 C ATOM 245 CG GLU A 22 -3.733 1.419 10.716 1.00 0.00 C ATOM 246 CD GLU A 22 -5.050 0.914 11.272 1.00 0.00 C ATOM 247 OE1 GLU A 22 -5.643 1.612 12.121 1.00 0.00 O ATOM 248 OE2 GLU A 22 -5.488 -0.180 10.857 1.00 0.00 O ATOM 0 H GLU A 22 -2.511 2.773 7.751 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.128 1.679 8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.912 3.206 9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.542 3.387 10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.303 0.659 10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.031 1.570 11.536 1.00 0.00 H new ATOM 255 N GLY A 23 -4.587 4.587 7.259 1.00 0.00 N ATOM 256 CA GLY A 23 -5.227 5.802 6.788 1.00 0.00 C ATOM 257 C GLY A 23 -4.584 7.053 7.355 1.00 0.00 C ATOM 258 O GLY A 23 -3.665 6.973 8.168 1.00 0.00 O ATOM 0 H GLY A 23 -3.648 4.428 6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.181 5.835 5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.282 5.783 7.062 1.00 0.00 H new ATOM 262 N GLY A 24 -5.069 8.213 6.922 1.00 0.00 N ATOM 263 CA GLY A 24 -4.523 9.469 7.401 1.00 0.00 C ATOM 264 C GLY A 24 -5.427 10.647 7.099 1.00 0.00 C ATOM 265 O GLY A 24 -6.609 10.639 7.446 1.00 0.00 O ATOM 0 H GLY A 24 -5.830 8.305 6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.362 9.405 8.477 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.548 9.636 6.943 1.00 0.00 H new ATOM 269 N THR A 25 -4.872 11.667 6.450 1.00 0.00 N ATOM 270 CA THR A 25 -5.636 12.859 6.104 1.00 0.00 C ATOM 271 C THR A 25 -5.566 13.141 4.608 1.00 0.00 C ATOM 272 O THR A 25 -4.631 12.716 3.928 1.00 0.00 O ATOM 273 CB THR A 25 -5.129 14.094 6.872 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.124 13.828 8.279 1.00 0.00 O ATOM 275 CG2 THR A 25 -6.000 15.307 6.583 1.00 0.00 C ATOM 0 H THR A 25 -3.896 11.691 6.154 1.00 0.00 H new ATOM 0 HA THR A 25 -6.671 12.664 6.387 1.00 0.00 H new ATOM 0 HB THR A 25 -4.113 14.309 6.540 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.799 14.617 8.760 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.622 16.167 7.137 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.978 15.525 5.515 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.025 15.100 6.890 1.00 0.00 H new ATOM 283 N THR A 26 -6.561 13.862 4.099 1.00 0.00 N ATOM 284 CA THR A 26 -6.612 14.201 2.682 1.00 0.00 C ATOM 285 C THR A 26 -5.491 15.163 2.306 1.00 0.00 C ATOM 286 O THR A 26 -5.121 16.036 3.089 1.00 0.00 O ATOM 287 CB THR A 26 -7.965 14.834 2.305 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.312 15.850 3.252 1.00 0.00 O ATOM 289 CG2 THR A 26 -9.061 13.780 2.260 1.00 0.00 C ATOM 0 H THR A 26 -7.342 14.222 4.647 1.00 0.00 H new ATOM 0 HA THR A 26 -6.488 13.270 2.129 1.00 0.00 H new ATOM 0 HB THR A 26 -7.869 15.279 1.315 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.164 16.260 2.995 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.007 14.250 1.992 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.808 13.024 1.517 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.154 13.310 3.239 1.00 0.00 H new ATOM 297 N GLY A 27 -4.955 14.997 1.101 1.00 0.00 N ATOM 298 CA GLY A 27 -3.881 15.859 0.642 1.00 0.00 C ATOM 299 C GLY A 27 -2.601 15.659 1.428 1.00 0.00 C ATOM 300 O GLY A 27 -1.680 16.472 1.347 1.00 0.00 O ATOM 0 H GLY A 27 -5.245 14.281 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.690 15.665 -0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.195 16.900 0.723 1.00 0.00 H new ATOM 304 N VAL A 28 -2.541 14.574 2.194 1.00 0.00 N ATOM 305 CA VAL A 28 -1.364 14.270 2.998 1.00 0.00 C ATOM 306 C VAL A 28 -0.690 12.987 2.523 1.00 0.00 C ATOM 307 O VAL A 28 -1.306 11.922 2.501 1.00 0.00 O ATOM 308 CB VAL A 28 -1.726 14.125 4.489 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.560 13.533 5.266 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.136 15.470 5.070 1.00 0.00 C ATOM 0 H VAL A 28 -3.294 13.891 2.274 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.674 15.105 2.878 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.573 13.444 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.834 13.438 6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.317 12.549 4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.307 14.187 5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.388 15.350 6.124 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.311 16.175 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.003 15.850 4.530 1.00 0.00 H new ATOM 320 N SER A 29 0.579 13.098 2.145 1.00 0.00 N ATOM 321 CA SER A 29 1.337 11.948 1.667 1.00 0.00 C ATOM 322 C SER A 29 1.373 10.845 2.720 1.00 0.00 C ATOM 323 O SER A 29 1.926 11.026 3.805 1.00 0.00 O ATOM 324 CB SER A 29 2.762 12.366 1.301 1.00 0.00 C ATOM 325 OG SER A 29 3.439 12.908 2.422 1.00 0.00 O ATOM 0 H SER A 29 1.104 13.972 2.160 1.00 0.00 H new ATOM 0 HA SER A 29 0.840 11.561 0.778 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.311 11.504 0.923 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.733 13.103 0.498 1.00 0.00 H new ATOM 0 HG SER A 29 3.120 12.471 3.239 1.00 0.00 H new ATOM 331 N SER A 30 0.780 9.702 2.392 1.00 0.00 N ATOM 332 CA SER A 30 0.740 8.570 3.311 1.00 0.00 C ATOM 333 C SER A 30 1.452 7.360 2.713 1.00 0.00 C ATOM 334 O SER A 30 1.175 6.961 1.583 1.00 0.00 O ATOM 335 CB SER A 30 -0.708 8.209 3.647 1.00 0.00 C ATOM 336 OG SER A 30 -1.448 9.361 4.016 1.00 0.00 O ATOM 0 H SER A 30 0.321 9.535 1.497 1.00 0.00 H new ATOM 0 HA SER A 30 1.256 8.859 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.177 7.732 2.786 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.726 7.485 4.461 1.00 0.00 H new ATOM 0 HG SER A 30 -1.382 10.034 3.306 1.00 0.00 H new ATOM 342 N GLU A 31 2.369 6.782 3.482 1.00 0.00 N ATOM 343 CA GLU A 31 3.122 5.618 3.028 1.00 0.00 C ATOM 344 C GLU A 31 3.150 4.536 4.103 1.00 0.00 C ATOM 345 O GLU A 31 2.609 4.714 5.194 1.00 0.00 O ATOM 346 CB GLU A 31 4.550 6.020 2.655 1.00 0.00 C ATOM 347 CG GLU A 31 5.255 6.831 3.730 1.00 0.00 C ATOM 348 CD GLU A 31 4.816 8.282 3.747 1.00 0.00 C ATOM 349 OE1 GLU A 31 3.804 8.589 4.412 1.00 0.00 O ATOM 350 OE2 GLU A 31 5.485 9.111 3.096 1.00 0.00 O ATOM 0 H GLU A 31 2.609 7.100 4.421 1.00 0.00 H new ATOM 0 HA GLU A 31 2.624 5.216 2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.130 5.120 2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.526 6.599 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.058 6.384 4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.332 6.783 3.569 1.00 0.00 H new ATOM 357 N PHE A 32 3.786 3.412 3.787 1.00 0.00 N ATOM 358 CA PHE A 32 3.884 2.299 4.724 1.00 0.00 C ATOM 359 C PHE A 32 5.031 1.368 4.344 1.00 0.00 C ATOM 360 O PHE A 32 5.420 1.288 3.178 1.00 0.00 O ATOM 361 CB PHE A 32 2.569 1.518 4.762 1.00 0.00 C ATOM 362 CG PHE A 32 2.083 1.098 3.404 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.491 -0.104 2.849 1.00 0.00 C ATOM 364 CD2 PHE A 32 1.218 1.905 2.683 1.00 0.00 C ATOM 365 CE1 PHE A 32 2.045 -0.495 1.601 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.768 1.520 1.434 1.00 0.00 C ATOM 367 CZ PHE A 32 1.183 0.319 0.892 1.00 0.00 C ATOM 0 H PHE A 32 4.241 3.248 2.889 1.00 0.00 H new ATOM 0 HA PHE A 32 4.084 2.708 5.715 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.700 0.632 5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.805 2.131 5.239 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.166 -0.743 3.399 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.892 2.846 3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.370 -1.435 1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.093 2.157 0.883 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.834 0.017 -0.084 1.00 0.00 H new ATOM 377 N ILE A 33 5.569 0.666 5.336 1.00 0.00 N ATOM 378 CA ILE A 33 6.671 -0.260 5.105 1.00 0.00 C ATOM 379 C ILE A 33 6.192 -1.707 5.157 1.00 0.00 C ATOM 380 O ILE A 33 5.492 -2.108 6.087 1.00 0.00 O ATOM 381 CB ILE A 33 7.795 -0.066 6.140 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.558 1.230 5.858 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.740 -1.258 6.125 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.686 1.490 6.832 1.00 0.00 C ATOM 0 H ILE A 33 5.260 0.721 6.306 1.00 0.00 H new ATOM 0 HA ILE A 33 7.062 -0.044 4.111 1.00 0.00 H new ATOM 0 HB ILE A 33 7.348 0.006 7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.963 1.191 4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.861 2.067 5.890 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.529 -1.106 6.862 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.186 -2.165 6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.183 -1.359 5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.183 2.425 6.572 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.285 1.561 7.843 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.404 0.672 6.784 1.00 0.00 H new ATOM 396 N VAL A 34 6.577 -2.488 4.152 1.00 0.00 N ATOM 397 CA VAL A 34 6.190 -3.892 4.084 1.00 0.00 C ATOM 398 C VAL A 34 7.362 -4.803 4.432 1.00 0.00 C ATOM 399 O VAL A 34 8.256 -5.020 3.616 1.00 0.00 O ATOM 400 CB VAL A 34 5.665 -4.262 2.684 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.233 -5.720 2.643 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.517 -3.347 2.286 1.00 0.00 C ATOM 0 H VAL A 34 7.156 -2.172 3.374 1.00 0.00 H new ATOM 0 HA VAL A 34 5.393 -4.036 4.813 1.00 0.00 H new ATOM 0 HB VAL A 34 6.473 -4.127 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.865 -5.963 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.084 -6.358 2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.440 -5.885 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.159 -3.623 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.705 -3.448 3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.863 -2.314 2.272 1.00 0.00 H new ATOM 412 N ASN A 35 7.350 -5.333 5.651 1.00 0.00 N ATOM 413 CA ASN A 35 8.413 -6.221 6.108 1.00 0.00 C ATOM 414 C ASN A 35 8.306 -7.587 5.438 1.00 0.00 C ATOM 415 O ASN A 35 7.521 -8.438 5.857 1.00 0.00 O ATOM 416 CB ASN A 35 8.353 -6.380 7.629 1.00 0.00 C ATOM 417 CG ASN A 35 9.041 -7.646 8.105 1.00 0.00 C ATOM 418 OD1 ASN A 35 8.441 -8.720 8.128 1.00 0.00 O ATOM 419 ND2 ASN A 35 10.306 -7.523 8.487 1.00 0.00 N ATOM 0 H ASN A 35 6.617 -5.163 6.339 1.00 0.00 H new ATOM 0 HA ASN A 35 9.369 -5.775 5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.821 -5.516 8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.311 -6.393 7.950 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.821 -8.339 8.817 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.763 -6.612 8.451 1.00 0.00 H new ATOM 426 N THR A 36 9.103 -7.791 4.393 1.00 0.00 N ATOM 427 CA THR A 36 9.098 -9.053 3.663 1.00 0.00 C ATOM 428 C THR A 36 10.393 -9.824 3.891 1.00 0.00 C ATOM 429 O THR A 36 10.549 -10.950 3.418 1.00 0.00 O ATOM 430 CB THR A 36 8.908 -8.827 2.152 1.00 0.00 C ATOM 431 OG1 THR A 36 9.960 -8.000 1.643 1.00 0.00 O ATOM 432 CG2 THR A 36 7.563 -8.177 1.867 1.00 0.00 C ATOM 0 H THR A 36 9.760 -7.098 4.034 1.00 0.00 H new ATOM 0 HA THR A 36 8.259 -9.636 4.044 1.00 0.00 H new ATOM 0 HB THR A 36 8.938 -9.797 1.656 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.832 -7.863 0.681 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.452 -8.027 0.793 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.763 -8.823 2.228 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.509 -7.214 2.375 1.00 0.00 H new ATOM 440 N LEU A 37 11.321 -9.212 4.620 1.00 0.00 N ATOM 441 CA LEU A 37 12.603 -9.842 4.912 1.00 0.00 C ATOM 442 C LEU A 37 12.406 -11.253 5.458 1.00 0.00 C ATOM 443 O LEU A 37 12.931 -12.220 4.909 1.00 0.00 O ATOM 444 CB LEU A 37 13.391 -9.000 5.917 1.00 0.00 C ATOM 445 CG LEU A 37 13.696 -7.562 5.494 1.00 0.00 C ATOM 446 CD1 LEU A 37 13.939 -6.687 6.714 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.898 -7.525 4.561 1.00 0.00 C ATOM 0 H LEU A 37 11.209 -8.280 5.019 1.00 0.00 H new ATOM 0 HA LEU A 37 13.167 -9.908 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.834 -8.972 6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.335 -9.505 6.123 1.00 0.00 H new ATOM 0 HG LEU A 37 12.832 -7.170 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.154 -5.668 6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.051 -6.689 7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.786 -7.077 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 37 15.101 -6.494 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.768 -7.936 5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.687 -8.118 3.671 1.00 0.00 H new ATOM 459 N ASN A 38 11.642 -11.361 6.540 1.00 0.00 N ATOM 460 CA ASN A 38 11.373 -12.653 7.160 1.00 0.00 C ATOM 461 C ASN A 38 10.976 -13.687 6.111 1.00 0.00 C ATOM 462 O ASN A 38 11.232 -14.880 6.272 1.00 0.00 O ATOM 463 CB ASN A 38 10.265 -12.520 8.206 1.00 0.00 C ATOM 464 CG ASN A 38 10.806 -12.193 9.584 1.00 0.00 C ATOM 465 OD1 ASN A 38 10.174 -12.489 10.598 1.00 0.00 O ATOM 466 ND2 ASN A 38 11.983 -11.578 9.626 1.00 0.00 N ATOM 0 H ASN A 38 11.198 -10.569 7.006 1.00 0.00 H new ATOM 0 HA ASN A 38 12.287 -12.990 7.650 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.570 -11.739 7.897 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.699 -13.451 8.252 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.398 -11.332 10.525 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.472 -11.352 8.760 1.00 0.00 H new ATOM 473 N ALA A 39 10.350 -13.221 5.035 1.00 0.00 N ATOM 474 CA ALA A 39 9.921 -14.104 3.958 1.00 0.00 C ATOM 475 C ALA A 39 11.118 -14.679 3.209 1.00 0.00 C ATOM 476 O ALA A 39 11.285 -15.895 3.126 1.00 0.00 O ATOM 477 CB ALA A 39 9.004 -13.359 2.999 1.00 0.00 C ATOM 0 H ALA A 39 10.129 -12.236 4.886 1.00 0.00 H new ATOM 0 HA ALA A 39 9.370 -14.934 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.691 -14.030 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.126 -13.003 3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.537 -12.510 2.572 1.00 0.00 H new ATOM 483 N GLY A 40 11.949 -13.796 2.664 1.00 0.00 N ATOM 484 CA GLY A 40 13.120 -14.236 1.928 1.00 0.00 C ATOM 485 C GLY A 40 13.225 -13.584 0.563 1.00 0.00 C ATOM 486 O GLY A 40 13.950 -12.604 0.390 1.00 0.00 O ATOM 0 H GLY A 40 11.832 -12.784 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.016 -14.008 2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.085 -15.319 1.808 1.00 0.00 H new ATOM 490 N SER A 41 12.502 -14.130 -0.409 1.00 0.00 N ATOM 491 CA SER A 41 12.522 -13.599 -1.767 1.00 0.00 C ATOM 492 C SER A 41 11.217 -13.914 -2.492 1.00 0.00 C ATOM 493 O SER A 41 10.605 -14.957 -2.268 1.00 0.00 O ATOM 494 CB SER A 41 13.704 -14.178 -2.547 1.00 0.00 C ATOM 495 OG SER A 41 14.866 -13.384 -2.375 1.00 0.00 O ATOM 0 H SER A 41 11.895 -14.940 -0.282 1.00 0.00 H new ATOM 0 HA SER A 41 12.632 -12.516 -1.706 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.902 -15.196 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.452 -14.235 -3.606 1.00 0.00 H new ATOM 0 HG SER A 41 14.855 -12.977 -1.484 1.00 0.00 H new ATOM 501 N GLY A 42 10.797 -13.002 -3.364 1.00 0.00 N ATOM 502 CA GLY A 42 9.568 -13.200 -4.110 1.00 0.00 C ATOM 503 C GLY A 42 9.029 -11.908 -4.692 1.00 0.00 C ATOM 504 O GLY A 42 9.573 -10.833 -4.443 1.00 0.00 O ATOM 0 H GLY A 42 11.286 -12.130 -3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.746 -13.912 -4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.816 -13.642 -3.456 1.00 0.00 H new ATOM 508 N ALA A 43 7.957 -12.014 -5.471 1.00 0.00 N ATOM 509 CA ALA A 43 7.345 -10.845 -6.090 1.00 0.00 C ATOM 510 C ALA A 43 6.342 -10.187 -5.148 1.00 0.00 C ATOM 511 O ALA A 43 5.754 -10.847 -4.291 1.00 0.00 O ATOM 512 CB ALA A 43 6.668 -11.233 -7.397 1.00 0.00 C ATOM 0 H ALA A 43 7.495 -12.897 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 43 8.133 -10.123 -6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.215 -10.350 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.408 -11.651 -8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.896 -11.976 -7.200 1.00 0.00 H new ATOM 518 N LEU A 44 6.152 -8.882 -5.312 1.00 0.00 N ATOM 519 CA LEU A 44 5.220 -8.134 -4.476 1.00 0.00 C ATOM 520 C LEU A 44 4.171 -7.427 -5.327 1.00 0.00 C ATOM 521 O LEU A 44 4.469 -6.932 -6.414 1.00 0.00 O ATOM 522 CB LEU A 44 5.976 -7.112 -3.625 1.00 0.00 C ATOM 523 CG LEU A 44 5.114 -6.095 -2.875 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.438 -6.747 -1.679 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.956 -4.907 -2.432 1.00 0.00 C ATOM 0 H LEU A 44 6.631 -8.321 -6.016 1.00 0.00 H new ATOM 0 HA LEU A 44 4.712 -8.840 -3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.582 -7.652 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.664 -6.568 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 44 4.339 -5.734 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.829 -6.008 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.803 -7.564 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.197 -7.136 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.327 -4.193 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.752 -5.251 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.393 -4.424 -3.306 1.00 0.00 H new ATOM 537 N SER A 45 2.941 -7.382 -4.825 1.00 0.00 N ATOM 538 CA SER A 45 1.846 -6.737 -5.541 1.00 0.00 C ATOM 539 C SER A 45 1.049 -5.829 -4.610 1.00 0.00 C ATOM 540 O SER A 45 0.350 -6.300 -3.712 1.00 0.00 O ATOM 541 CB SER A 45 0.923 -7.789 -6.159 1.00 0.00 C ATOM 542 OG SER A 45 1.476 -8.316 -7.352 1.00 0.00 O ATOM 0 H SER A 45 2.678 -7.784 -3.925 1.00 0.00 H new ATOM 0 HA SER A 45 2.274 -6.127 -6.337 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.756 -8.595 -5.445 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.049 -7.345 -6.371 1.00 0.00 H new ATOM 0 HG SER A 45 0.868 -8.987 -7.726 1.00 0.00 H new ATOM 548 N VAL A 46 1.160 -4.522 -4.830 1.00 0.00 N ATOM 549 CA VAL A 46 0.450 -3.546 -4.012 1.00 0.00 C ATOM 550 C VAL A 46 -0.465 -2.676 -4.866 1.00 0.00 C ATOM 551 O VAL A 46 -0.074 -2.207 -5.936 1.00 0.00 O ATOM 552 CB VAL A 46 1.429 -2.641 -3.241 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.673 -1.712 -2.304 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.438 -3.481 -2.473 1.00 0.00 C ATOM 0 H VAL A 46 1.735 -4.115 -5.568 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.151 -4.109 -3.298 1.00 0.00 H new ATOM 0 HB VAL A 46 1.973 -2.028 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.381 -1.080 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.006 -1.086 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.101 -2.303 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.122 -2.825 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.914 -4.121 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.003 -4.100 -3.171 1.00 0.00 H new ATOM 564 N THR A 47 -1.686 -2.462 -4.387 1.00 0.00 N ATOM 565 CA THR A 47 -2.658 -1.648 -5.106 1.00 0.00 C ATOM 566 C THR A 47 -3.540 -0.864 -4.141 1.00 0.00 C ATOM 567 O THR A 47 -3.516 -1.100 -2.933 1.00 0.00 O ATOM 568 CB THR A 47 -3.553 -2.513 -6.014 1.00 0.00 C ATOM 569 OG1 THR A 47 -4.764 -1.812 -6.320 1.00 0.00 O ATOM 570 CG2 THR A 47 -3.884 -3.838 -5.344 1.00 0.00 C ATOM 0 H THR A 47 -2.026 -2.841 -3.503 1.00 0.00 H new ATOM 0 HA THR A 47 -2.091 -0.951 -5.724 1.00 0.00 H new ATOM 0 HB THR A 47 -3.008 -2.716 -6.936 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.326 -2.368 -6.899 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.517 -4.431 -6.004 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.962 -4.382 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.411 -3.651 -4.408 1.00 0.00 H new ATOM 578 N ILE A 48 -4.317 0.068 -4.681 1.00 0.00 N ATOM 579 CA ILE A 48 -5.208 0.886 -3.867 1.00 0.00 C ATOM 580 C ILE A 48 -6.591 0.991 -4.502 1.00 0.00 C ATOM 581 O ILE A 48 -6.717 1.171 -5.713 1.00 0.00 O ATOM 582 CB ILE A 48 -4.641 2.303 -3.662 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.469 2.269 -2.678 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.730 3.242 -3.165 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.716 3.578 -2.590 1.00 0.00 C ATOM 0 H ILE A 48 -4.348 0.276 -5.679 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.292 0.393 -2.898 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.277 2.675 -4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.843 2.007 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.778 1.481 -2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.314 4.240 -3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.536 3.285 -3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.121 2.875 -2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.900 3.481 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.311 3.832 -3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.394 4.366 -2.262 1.00 0.00 H new ATOM 597 N ASP A 49 -7.625 0.879 -3.675 1.00 0.00 N ATOM 598 CA ASP A 49 -8.999 0.964 -4.154 1.00 0.00 C ATOM 599 C ASP A 49 -9.820 1.912 -3.285 1.00 0.00 C ATOM 600 O ASP A 49 -10.276 1.541 -2.204 1.00 0.00 O ATOM 601 CB ASP A 49 -9.644 -0.423 -4.169 1.00 0.00 C ATOM 602 CG ASP A 49 -10.683 -0.567 -5.263 1.00 0.00 C ATOM 603 OD1 ASP A 49 -11.849 -0.187 -5.028 1.00 0.00 O ATOM 604 OD2 ASP A 49 -10.331 -1.060 -6.355 1.00 0.00 O ATOM 0 H ASP A 49 -7.537 0.729 -2.670 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.979 1.357 -5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.870 -1.179 -4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.110 -0.614 -3.202 1.00 0.00 H new ATOM 609 N GLY A 50 -10.004 3.138 -3.765 1.00 0.00 N ATOM 610 CA GLY A 50 -10.769 4.120 -3.018 1.00 0.00 C ATOM 611 C GLY A 50 -11.761 4.866 -3.888 1.00 0.00 C ATOM 612 O GLY A 50 -11.953 4.546 -5.061 1.00 0.00 O ATOM 0 H GLY A 50 -9.637 3.469 -4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.303 3.621 -2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.086 4.834 -2.557 1.00 0.00 H new ATOM 616 N PRO A 51 -12.412 5.886 -3.309 1.00 0.00 N ATOM 617 CA PRO A 51 -13.401 6.700 -4.021 1.00 0.00 C ATOM 618 C PRO A 51 -12.764 7.584 -5.088 1.00 0.00 C ATOM 619 O PRO A 51 -13.449 8.097 -5.973 1.00 0.00 O ATOM 620 CB PRO A 51 -14.018 7.558 -2.914 1.00 0.00 C ATOM 621 CG PRO A 51 -12.964 7.635 -1.864 1.00 0.00 C ATOM 622 CD PRO A 51 -12.232 6.323 -1.915 1.00 0.00 C ATOM 0 HA PRO A 51 -14.125 6.086 -4.556 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.283 8.549 -3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -14.931 7.107 -2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.286 8.468 -2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.404 7.798 -0.880 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.178 6.441 -1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.649 5.603 -1.211 1.00 0.00 H new ATOM 630 N SER A 52 -11.449 7.758 -4.999 1.00 0.00 N ATOM 631 CA SER A 52 -10.721 8.583 -5.956 1.00 0.00 C ATOM 632 C SER A 52 -9.365 7.964 -6.285 1.00 0.00 C ATOM 633 O SER A 52 -8.625 7.550 -5.393 1.00 0.00 O ATOM 634 CB SER A 52 -10.528 9.995 -5.400 1.00 0.00 C ATOM 635 OG SER A 52 -11.615 10.834 -5.750 1.00 0.00 O ATOM 0 H SER A 52 -10.866 7.339 -4.274 1.00 0.00 H new ATOM 0 HA SER A 52 -11.308 8.638 -6.873 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.432 9.952 -4.315 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.600 10.417 -5.785 1.00 0.00 H new ATOM 0 HG SER A 52 -11.468 11.730 -5.381 1.00 0.00 H new ATOM 641 N LYS A 53 -9.047 7.904 -7.573 1.00 0.00 N ATOM 642 CA LYS A 53 -7.781 7.338 -8.024 1.00 0.00 C ATOM 643 C LYS A 53 -6.602 8.065 -7.385 1.00 0.00 C ATOM 644 O LYS A 53 -6.421 9.267 -7.581 1.00 0.00 O ATOM 645 CB LYS A 53 -7.677 7.417 -9.549 1.00 0.00 C ATOM 646 CG LYS A 53 -8.707 6.567 -10.273 1.00 0.00 C ATOM 647 CD LYS A 53 -8.596 6.722 -11.781 1.00 0.00 C ATOM 648 CE LYS A 53 -9.402 7.911 -12.280 1.00 0.00 C ATOM 649 NZ LYS A 53 -8.845 8.468 -13.544 1.00 0.00 N ATOM 0 H LYS A 53 -9.649 8.241 -8.324 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.750 6.292 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.792 8.455 -9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.679 7.102 -9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.571 5.520 -10.003 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.708 6.852 -9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.550 6.848 -12.059 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.948 5.813 -12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.436 7.606 -12.442 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.415 8.688 -11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.422 9.277 -13.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.867 8.782 -13.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.856 7.735 -14.281 1.00 0.00 H new ATOM 663 N VAL A 54 -5.802 7.328 -6.622 1.00 0.00 N ATOM 664 CA VAL A 54 -4.638 7.902 -5.956 1.00 0.00 C ATOM 665 C VAL A 54 -3.355 7.574 -6.713 1.00 0.00 C ATOM 666 O VAL A 54 -3.267 6.551 -7.390 1.00 0.00 O ATOM 667 CB VAL A 54 -4.511 7.392 -4.508 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.820 7.584 -3.758 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.088 5.931 -4.493 1.00 0.00 C ATOM 0 H VAL A 54 -5.938 6.332 -6.449 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.782 8.982 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.741 7.975 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.711 7.218 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.076 8.643 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.612 7.028 -4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.003 5.587 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.833 5.331 -5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.124 5.826 -4.991 1.00 0.00 H new ATOM 679 N GLN A 55 -2.364 8.451 -6.591 1.00 0.00 N ATOM 680 CA GLN A 55 -1.085 8.255 -7.265 1.00 0.00 C ATOM 681 C GLN A 55 -0.040 7.706 -6.299 1.00 0.00 C ATOM 682 O GLN A 55 0.633 8.465 -5.599 1.00 0.00 O ATOM 683 CB GLN A 55 -0.596 9.572 -7.870 1.00 0.00 C ATOM 684 CG GLN A 55 0.426 9.388 -8.980 1.00 0.00 C ATOM 685 CD GLN A 55 0.629 10.648 -9.799 1.00 0.00 C ATOM 686 OE1 GLN A 55 0.068 11.700 -9.492 1.00 0.00 O ATOM 687 NE2 GLN A 55 1.436 10.547 -10.849 1.00 0.00 N ATOM 0 H GLN A 55 -2.421 9.303 -6.033 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.231 7.529 -8.065 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.451 10.122 -8.262 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.158 10.184 -7.082 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.378 9.084 -8.546 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.103 8.580 -9.637 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.880 9.655 -11.067 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.611 11.361 -11.438 1.00 0.00 H new ATOM 696 N LEU A 56 0.091 6.385 -6.265 1.00 0.00 N ATOM 697 CA LEU A 56 1.055 5.734 -5.384 1.00 0.00 C ATOM 698 C LEU A 56 2.438 5.693 -6.026 1.00 0.00 C ATOM 699 O LEU A 56 2.570 5.791 -7.246 1.00 0.00 O ATOM 700 CB LEU A 56 0.592 4.314 -5.050 1.00 0.00 C ATOM 701 CG LEU A 56 0.830 3.259 -6.131 1.00 0.00 C ATOM 702 CD1 LEU A 56 2.194 2.611 -5.953 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.270 2.209 -6.102 1.00 0.00 C ATOM 0 H LEU A 56 -0.458 5.743 -6.837 1.00 0.00 H new ATOM 0 HA LEU A 56 1.119 6.314 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.098 3.993 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.475 4.344 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 56 0.809 3.751 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.346 1.863 -6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.971 3.372 -6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.245 2.132 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.085 1.466 -6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.281 1.721 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.234 2.687 -6.280 1.00 0.00 H new ATOM 715 N ASP A 57 3.465 5.545 -5.196 1.00 0.00 N ATOM 716 CA ASP A 57 4.838 5.487 -5.683 1.00 0.00 C ATOM 717 C ASP A 57 5.605 4.352 -5.011 1.00 0.00 C ATOM 718 O ASP A 57 5.692 4.289 -3.784 1.00 0.00 O ATOM 719 CB ASP A 57 5.548 6.818 -5.430 1.00 0.00 C ATOM 720 CG ASP A 57 6.704 7.048 -6.384 1.00 0.00 C ATOM 721 OD1 ASP A 57 7.417 6.072 -6.699 1.00 0.00 O ATOM 722 OD2 ASP A 57 6.895 8.204 -6.816 1.00 0.00 O ATOM 0 H ASP A 57 3.373 5.463 -4.184 1.00 0.00 H new ATOM 0 HA ASP A 57 4.809 5.297 -6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.831 7.633 -5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.917 6.841 -4.405 1.00 0.00 H new ATOM 727 N CYS A 58 6.159 3.458 -5.823 1.00 0.00 N ATOM 728 CA CYS A 58 6.917 2.323 -5.307 1.00 0.00 C ATOM 729 C CYS A 58 8.387 2.689 -5.127 1.00 0.00 C ATOM 730 O CYS A 58 9.031 3.186 -6.051 1.00 0.00 O ATOM 731 CB CYS A 58 6.788 1.126 -6.250 1.00 0.00 C ATOM 732 SG CYS A 58 7.503 1.396 -7.888 1.00 0.00 S ATOM 0 H CYS A 58 6.098 3.497 -6.840 1.00 0.00 H new ATOM 0 HA CYS A 58 6.506 2.055 -4.334 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.271 0.263 -5.792 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.733 0.878 -6.363 1.00 0.00 H new ATOM 0 HG CYS A 58 8.471 2.259 -7.802 1.00 0.00 H new ATOM 738 N ARG A 59 8.911 2.440 -3.931 1.00 0.00 N ATOM 739 CA ARG A 59 10.304 2.746 -3.629 1.00 0.00 C ATOM 740 C ARG A 59 10.972 1.580 -2.905 1.00 0.00 C ATOM 741 O ARG A 59 10.328 0.577 -2.599 1.00 0.00 O ATOM 742 CB ARG A 59 10.397 4.011 -2.775 1.00 0.00 C ATOM 743 CG ARG A 59 10.338 5.297 -3.583 1.00 0.00 C ATOM 744 CD ARG A 59 11.080 6.427 -2.886 1.00 0.00 C ATOM 745 NE ARG A 59 10.219 7.158 -1.960 1.00 0.00 N ATOM 746 CZ ARG A 59 9.380 8.117 -2.337 1.00 0.00 C ATOM 747 NH1 ARG A 59 9.290 8.459 -3.615 1.00 0.00 N ATOM 748 NH2 ARG A 59 8.629 8.736 -1.435 1.00 0.00 N ATOM 0 H ARG A 59 8.392 2.027 -3.156 1.00 0.00 H new ATOM 0 HA ARG A 59 10.826 2.913 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.583 4.010 -2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.329 3.990 -2.209 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.772 5.129 -4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.298 5.584 -3.737 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.933 6.020 -2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.476 7.115 -3.633 1.00 0.00 H new ATOM 0 HE ARG A 59 10.264 6.919 -0.969 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.866 7.986 -4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.645 9.195 -3.902 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.695 8.476 -0.451 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.985 9.472 -1.726 1.00 0.00 H new ATOM 762 N GLU A 60 12.266 1.721 -2.635 1.00 0.00 N ATOM 763 CA GLU A 60 13.020 0.679 -1.949 1.00 0.00 C ATOM 764 C GLU A 60 13.280 1.063 -0.495 1.00 0.00 C ATOM 765 O GLU A 60 13.415 2.243 -0.169 1.00 0.00 O ATOM 766 CB GLU A 60 14.347 0.423 -2.665 1.00 0.00 C ATOM 767 CG GLU A 60 15.313 1.594 -2.594 1.00 0.00 C ATOM 768 CD GLU A 60 16.239 1.660 -3.793 1.00 0.00 C ATOM 769 OE1 GLU A 60 16.812 0.613 -4.159 1.00 0.00 O ATOM 770 OE2 GLU A 60 16.391 2.760 -4.364 1.00 0.00 O ATOM 0 H GLU A 60 12.813 2.546 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 60 12.425 -0.234 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.822 -0.456 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.147 0.191 -3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.747 2.523 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.908 1.515 -1.684 1.00 0.00 H new ATOM 777 N CYS A 61 13.347 0.060 0.373 1.00 0.00 N ATOM 778 CA CYS A 61 13.589 0.292 1.793 1.00 0.00 C ATOM 779 C CYS A 61 14.427 -0.833 2.392 1.00 0.00 C ATOM 780 O CYS A 61 14.402 -1.973 1.929 1.00 0.00 O ATOM 781 CB CYS A 61 12.262 0.413 2.544 1.00 0.00 C ATOM 782 SG CYS A 61 11.214 -1.056 2.433 1.00 0.00 S ATOM 0 H CYS A 61 13.237 -0.922 0.119 1.00 0.00 H new ATOM 0 HA CYS A 61 14.142 1.226 1.895 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.469 0.620 3.594 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.712 1.269 2.153 1.00 0.00 H new ATOM 0 HG CYS A 61 10.116 -0.857 3.101 1.00 0.00 H new ATOM 788 N PRO A 62 15.188 -0.506 3.447 1.00 0.00 N ATOM 789 CA PRO A 62 16.049 -1.474 4.132 1.00 0.00 C ATOM 790 C PRO A 62 15.248 -2.515 4.908 1.00 0.00 C ATOM 791 O PRO A 62 15.817 -3.423 5.513 1.00 0.00 O ATOM 792 CB PRO A 62 16.868 -0.606 5.090 1.00 0.00 C ATOM 793 CG PRO A 62 16.019 0.595 5.332 1.00 0.00 C ATOM 794 CD PRO A 62 15.267 0.834 4.052 1.00 0.00 C ATOM 0 HA PRO A 62 16.656 -2.047 3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 62 17.081 -1.134 6.019 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.828 -0.331 4.653 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.333 0.427 6.162 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.630 1.459 5.593 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.277 1.249 4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.790 1.537 3.404 1.00 0.00 H new ATOM 802 N GLU A 63 13.926 -2.375 4.886 1.00 0.00 N ATOM 803 CA GLU A 63 13.049 -3.304 5.588 1.00 0.00 C ATOM 804 C GLU A 63 12.296 -4.193 4.602 1.00 0.00 C ATOM 805 O GLU A 63 11.707 -5.202 4.985 1.00 0.00 O ATOM 806 CB GLU A 63 12.054 -2.537 6.463 1.00 0.00 C ATOM 807 CG GLU A 63 12.698 -1.840 7.649 1.00 0.00 C ATOM 808 CD GLU A 63 12.789 -2.732 8.872 1.00 0.00 C ATOM 809 OE1 GLU A 63 11.743 -2.963 9.515 1.00 0.00 O ATOM 810 OE2 GLU A 63 13.904 -3.198 9.186 1.00 0.00 O ATOM 0 H GLU A 63 13.440 -1.628 4.390 1.00 0.00 H new ATOM 0 HA GLU A 63 13.667 -3.939 6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.541 -1.795 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.295 -3.229 6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.698 -1.508 7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.123 -0.948 7.897 1.00 0.00 H new ATOM 817 N GLY A 64 12.321 -3.808 3.330 1.00 0.00 N ATOM 818 CA GLY A 64 11.637 -4.580 2.309 1.00 0.00 C ATOM 819 C GLY A 64 11.149 -3.719 1.161 1.00 0.00 C ATOM 820 O GLY A 64 11.899 -3.431 0.228 1.00 0.00 O ATOM 0 H GLY A 64 12.802 -2.976 2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.311 -5.345 1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.789 -5.098 2.757 1.00 0.00 H new ATOM 824 N HIS A 65 9.886 -3.308 1.228 1.00 0.00 N ATOM 825 CA HIS A 65 9.297 -2.475 0.185 1.00 0.00 C ATOM 826 C HIS A 65 8.464 -1.351 0.794 1.00 0.00 C ATOM 827 O HIS A 65 7.730 -1.561 1.759 1.00 0.00 O ATOM 828 CB HIS A 65 8.429 -3.323 -0.745 1.00 0.00 C ATOM 829 CG HIS A 65 9.219 -4.155 -1.707 1.00 0.00 C ATOM 830 ND1 HIS A 65 9.576 -3.716 -2.965 1.00 0.00 N ATOM 831 CD2 HIS A 65 9.723 -5.406 -1.590 1.00 0.00 C ATOM 832 CE1 HIS A 65 10.263 -4.662 -3.580 1.00 0.00 C ATOM 833 NE2 HIS A 65 10.367 -5.698 -2.767 1.00 0.00 N ATOM 0 H HIS A 65 9.252 -3.538 1.993 1.00 0.00 H new ATOM 0 HA HIS A 65 10.108 -2.031 -0.392 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.799 -3.978 -0.143 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.763 -2.667 -1.306 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.635 -6.054 -0.731 1.00 0.00 H new ATOM 0 HE1 HIS A 65 10.671 -4.599 -4.578 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.847 -6.572 -2.979 1.00 0.00 H new ATOM 842 N VAL A 66 8.584 -0.156 0.223 1.00 0.00 N ATOM 843 CA VAL A 66 7.842 1.001 0.709 1.00 0.00 C ATOM 844 C VAL A 66 7.033 1.645 -0.411 1.00 0.00 C ATOM 845 O VAL A 66 7.502 1.760 -1.544 1.00 0.00 O ATOM 846 CB VAL A 66 8.784 2.056 1.319 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.636 2.701 0.237 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.986 3.106 2.078 1.00 0.00 C ATOM 0 H VAL A 66 9.188 0.036 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 66 7.164 0.640 1.482 1.00 0.00 H new ATOM 0 HB VAL A 66 9.451 1.559 2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.295 3.443 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.235 1.937 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.989 3.186 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.667 3.844 2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.294 3.601 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.424 2.627 2.880 1.00 0.00 H new ATOM 858 N VAL A 67 5.814 2.065 -0.088 1.00 0.00 N ATOM 859 CA VAL A 67 4.939 2.700 -1.066 1.00 0.00 C ATOM 860 C VAL A 67 4.316 3.972 -0.503 1.00 0.00 C ATOM 861 O VAL A 67 3.786 3.979 0.608 1.00 0.00 O ATOM 862 CB VAL A 67 3.816 1.747 -1.516 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.914 2.428 -2.534 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.402 0.464 -2.085 1.00 0.00 C ATOM 0 H VAL A 67 5.410 1.977 0.844 1.00 0.00 H new ATOM 0 HA VAL A 67 5.558 2.953 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 67 3.212 1.489 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.126 1.740 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.466 3.316 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.502 2.717 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.594 -0.198 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.030 0.701 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.002 -0.032 -1.322 1.00 0.00 H new ATOM 874 N THR A 68 4.383 5.051 -1.278 1.00 0.00 N ATOM 875 CA THR A 68 3.827 6.330 -0.857 1.00 0.00 C ATOM 876 C THR A 68 2.729 6.792 -1.808 1.00 0.00 C ATOM 877 O THR A 68 2.891 6.746 -3.028 1.00 0.00 O ATOM 878 CB THR A 68 4.915 7.418 -0.780 1.00 0.00 C ATOM 879 OG1 THR A 68 6.058 6.918 -0.078 1.00 0.00 O ATOM 880 CG2 THR A 68 4.387 8.662 -0.082 1.00 0.00 C ATOM 0 H THR A 68 4.817 5.063 -2.201 1.00 0.00 H new ATOM 0 HA THR A 68 3.404 6.179 0.136 1.00 0.00 H new ATOM 0 HB THR A 68 5.203 7.687 -1.796 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.746 7.615 -0.035 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.173 9.416 -0.039 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.535 9.056 -0.636 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.074 8.406 0.930 1.00 0.00 H new ATOM 888 N TYR A 69 1.612 7.237 -1.243 1.00 0.00 N ATOM 889 CA TYR A 69 0.486 7.706 -2.042 1.00 0.00 C ATOM 890 C TYR A 69 -0.126 8.964 -1.435 1.00 0.00 C ATOM 891 O TYR A 69 0.151 9.313 -0.287 1.00 0.00 O ATOM 892 CB TYR A 69 -0.577 6.612 -2.155 1.00 0.00 C ATOM 893 CG TYR A 69 -1.414 6.449 -0.906 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.372 7.394 -0.561 1.00 0.00 C ATOM 895 CD2 TYR A 69 -1.245 5.352 -0.071 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.139 7.250 0.580 1.00 0.00 C ATOM 897 CE2 TYR A 69 -2.008 5.199 1.071 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.953 6.151 1.392 1.00 0.00 C ATOM 899 OH TYR A 69 -3.714 6.003 2.529 1.00 0.00 O ATOM 0 H TYR A 69 1.462 7.283 -0.235 1.00 0.00 H new ATOM 0 HA TYR A 69 0.856 7.948 -3.038 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.233 6.840 -2.995 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.088 5.664 -2.381 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.520 8.256 -1.195 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.505 4.606 -0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.880 7.994 0.834 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.865 4.339 1.708 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.448 5.184 2.996 1.00 0.00 H new ATOM 909 N THR A 70 -0.962 9.644 -2.214 1.00 0.00 N ATOM 910 CA THR A 70 -1.614 10.864 -1.756 1.00 0.00 C ATOM 911 C THR A 70 -3.123 10.792 -1.963 1.00 0.00 C ATOM 912 O THR A 70 -3.613 10.621 -3.079 1.00 0.00 O ATOM 913 CB THR A 70 -1.065 12.103 -2.487 1.00 0.00 C ATOM 914 OG1 THR A 70 0.361 12.152 -2.366 1.00 0.00 O ATOM 915 CG2 THR A 70 -1.671 13.378 -1.921 1.00 0.00 C ATOM 0 H THR A 70 -1.203 9.370 -3.166 1.00 0.00 H new ATOM 0 HA THR A 70 -1.400 10.956 -0.691 1.00 0.00 H new ATOM 0 HB THR A 70 -1.337 12.026 -3.540 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.702 12.942 -2.835 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.268 14.240 -2.453 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.754 13.351 -2.042 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.426 13.458 -0.862 1.00 0.00 H new ATOM 923 N PRO A 71 -3.879 10.926 -0.863 1.00 0.00 N ATOM 924 CA PRO A 71 -5.344 10.881 -0.900 1.00 0.00 C ATOM 925 C PRO A 71 -5.944 12.106 -1.581 1.00 0.00 C ATOM 926 O PRO A 71 -5.390 13.202 -1.509 1.00 0.00 O ATOM 927 CB PRO A 71 -5.734 10.847 0.580 1.00 0.00 C ATOM 928 CG PRO A 71 -4.592 11.490 1.288 1.00 0.00 C ATOM 929 CD PRO A 71 -3.362 11.133 0.500 1.00 0.00 C ATOM 0 HA PRO A 71 -5.712 10.029 -1.472 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.664 11.387 0.757 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.889 9.825 0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.723 12.571 1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.516 11.130 2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.619 11.930 0.531 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.882 10.235 0.889 1.00 0.00 H new ATOM 937 N MET A 72 -7.081 11.912 -2.242 1.00 0.00 N ATOM 938 CA MET A 72 -7.757 13.002 -2.935 1.00 0.00 C ATOM 939 C MET A 72 -9.201 13.136 -2.459 1.00 0.00 C ATOM 940 O MET A 72 -9.918 14.047 -2.872 1.00 0.00 O ATOM 941 CB MET A 72 -7.726 12.771 -4.447 1.00 0.00 C ATOM 942 CG MET A 72 -6.383 12.275 -4.958 1.00 0.00 C ATOM 943 SD MET A 72 -5.087 13.522 -4.831 1.00 0.00 S ATOM 944 CE MET A 72 -5.837 14.882 -5.722 1.00 0.00 C ATOM 0 H MET A 72 -7.553 11.010 -2.312 1.00 0.00 H new ATOM 0 HA MET A 72 -7.229 13.928 -2.705 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.496 12.047 -4.712 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.977 13.703 -4.954 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.088 11.391 -4.393 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.486 11.968 -5.999 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.058 15.552 -6.086 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.406 14.494 -6.567 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.504 15.429 -5.056 1.00 0.00 H new ATOM 954 N ALA A 73 -9.620 12.223 -1.590 1.00 0.00 N ATOM 955 CA ALA A 73 -10.976 12.241 -1.057 1.00 0.00 C ATOM 956 C ALA A 73 -11.105 11.317 0.149 1.00 0.00 C ATOM 957 O ALA A 73 -10.447 10.281 0.241 1.00 0.00 O ATOM 958 CB ALA A 73 -11.972 11.844 -2.137 1.00 0.00 C ATOM 0 H ALA A 73 -9.039 11.461 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.197 13.256 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.981 11.862 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.907 12.546 -2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.742 10.839 -2.492 1.00 0.00 H new ATOM 964 N PRO A 74 -11.972 11.699 1.098 1.00 0.00 N ATOM 965 CA PRO A 74 -12.207 10.918 2.317 1.00 0.00 C ATOM 966 C PRO A 74 -12.940 9.611 2.035 1.00 0.00 C ATOM 967 O PRO A 74 -14.067 9.614 1.543 1.00 0.00 O ATOM 968 CB PRO A 74 -13.076 11.846 3.170 1.00 0.00 C ATOM 969 CG PRO A 74 -13.760 12.733 2.189 1.00 0.00 C ATOM 970 CD PRO A 74 -12.790 12.922 1.055 1.00 0.00 C ATOM 0 HA PRO A 74 -11.275 10.623 2.799 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.796 11.281 3.762 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.471 12.422 3.870 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.689 12.283 1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.021 13.689 2.643 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.304 13.028 0.100 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.182 13.817 1.191 1.00 0.00 H new ATOM 978 N GLY A 75 -12.292 8.494 2.352 1.00 0.00 N ATOM 979 CA GLY A 75 -12.898 7.195 2.126 1.00 0.00 C ATOM 980 C GLY A 75 -12.034 6.056 2.630 1.00 0.00 C ATOM 981 O GLY A 75 -11.030 6.282 3.304 1.00 0.00 O ATOM 0 H GLY A 75 -11.358 8.466 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.868 7.159 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.081 7.064 1.060 1.00 0.00 H new ATOM 985 N ASN A 76 -12.425 4.829 2.302 1.00 0.00 N ATOM 986 CA ASN A 76 -11.679 3.650 2.727 1.00 0.00 C ATOM 987 C ASN A 76 -10.922 3.033 1.555 1.00 0.00 C ATOM 988 O ASN A 76 -11.476 2.239 0.795 1.00 0.00 O ATOM 989 CB ASN A 76 -12.626 2.616 3.339 1.00 0.00 C ATOM 990 CG ASN A 76 -13.704 3.253 4.195 1.00 0.00 C ATOM 991 OD1 ASN A 76 -13.519 3.458 5.395 1.00 0.00 O ATOM 992 ND2 ASN A 76 -14.837 3.570 3.580 1.00 0.00 N ATOM 0 H ASN A 76 -13.254 4.625 1.743 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.955 3.961 3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -13.093 2.039 2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.052 1.915 3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.598 4.002 4.104 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.946 3.382 2.583 1.00 0.00 H new ATOM 999 N TYR A 77 -9.654 3.403 1.417 1.00 0.00 N ATOM 1000 CA TYR A 77 -8.821 2.888 0.336 1.00 0.00 C ATOM 1001 C TYR A 77 -8.352 1.468 0.640 1.00 0.00 C ATOM 1002 O TYR A 77 -7.504 1.254 1.507 1.00 0.00 O ATOM 1003 CB TYR A 77 -7.613 3.800 0.116 1.00 0.00 C ATOM 1004 CG TYR A 77 -7.979 5.181 -0.379 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.316 6.193 0.512 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -7.988 5.473 -1.737 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -8.652 7.456 0.064 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.321 6.734 -2.194 1.00 0.00 C ATOM 1009 CZ TYR A 77 -8.652 7.722 -1.290 1.00 0.00 C ATOM 1010 OH TYR A 77 -8.986 8.978 -1.741 1.00 0.00 O ATOM 0 H TYR A 77 -9.180 4.057 2.040 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.422 2.867 -0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.063 3.893 1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.941 3.332 -0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.315 5.989 1.572 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.730 4.702 -2.448 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.913 8.231 0.770 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.322 6.945 -3.253 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.502 9.447 -1.052 1.00 0.00 H new ATOM 1020 N LEU A 78 -8.911 0.501 -0.080 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.551 -0.899 0.110 1.00 0.00 C ATOM 1022 C LEU A 78 -7.175 -1.193 -0.479 1.00 0.00 C ATOM 1023 O LEU A 78 -6.995 -1.177 -1.698 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.599 -1.808 -0.534 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.607 -3.263 -0.064 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.296 -3.946 -0.419 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -9.860 -3.337 1.435 1.00 0.00 C ATOM 0 H LEU A 78 -9.615 0.661 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.517 -1.097 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.585 -1.382 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.446 -1.797 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.415 -3.786 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.320 -4.981 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.156 -3.925 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.471 -3.423 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.862 -4.380 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.074 -2.798 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.826 -2.886 1.664 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.209 -1.462 0.392 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.851 -1.763 -0.044 1.00 0.00 C ATOM 1041 C ILE A 79 -4.634 -3.267 -0.170 1.00 0.00 C ATOM 1042 O ILE A 79 -4.649 -3.992 0.824 1.00 0.00 O ATOM 1043 CB ILE A 79 -3.806 -1.185 0.930 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -3.791 0.342 0.848 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.428 -1.752 0.626 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.332 1.011 2.125 1.00 0.00 C ATOM 0 H ILE A 79 -6.341 -1.478 1.403 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.723 -1.297 -1.021 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.079 -1.472 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.136 0.648 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.793 0.695 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.701 -1.334 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.450 -2.837 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.144 -1.492 -0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.346 2.093 1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.000 0.735 2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.318 0.687 2.361 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.431 -3.729 -1.400 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.207 -5.146 -1.656 1.00 0.00 C ATOM 1060 C ALA A 80 -2.717 -5.473 -1.667 1.00 0.00 C ATOM 1061 O ALA A 80 -1.988 -5.057 -2.568 1.00 0.00 O ATOM 1062 CB ALA A 80 -4.848 -5.551 -2.975 1.00 0.00 C ATOM 0 H ALA A 80 -4.417 -3.142 -2.234 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.671 -5.714 -0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.673 -6.612 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.921 -5.362 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.410 -4.969 -3.786 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.273 -6.220 -0.662 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.870 -6.602 -0.558 1.00 0.00 C ATOM 1070 C ILE A 81 -0.701 -8.112 -0.689 1.00 0.00 C ATOM 1071 O ILE A 81 -1.263 -8.882 0.090 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.259 -6.143 0.780 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.158 -4.617 0.822 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.110 -6.776 0.982 1.00 0.00 C ATOM 1075 CD1 ILE A 81 -0.016 -4.060 2.221 1.00 0.00 C ATOM 0 H ILE A 81 -2.864 -6.572 0.091 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.347 -6.107 -1.376 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.911 -6.468 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.697 -4.301 0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.046 -4.189 0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.529 -6.442 1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.011 -7.861 0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.772 -6.478 0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.050 -2.973 2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.883 -4.346 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.888 -4.459 2.682 1.00 0.00 H new ATOM 1087 N LYS A 82 0.079 -8.530 -1.680 1.00 0.00 N ATOM 1088 CA LYS A 82 0.327 -9.948 -1.914 1.00 0.00 C ATOM 1089 C LYS A 82 1.822 -10.228 -2.027 1.00 0.00 C ATOM 1090 O LYS A 82 2.618 -9.318 -2.260 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.387 -10.408 -3.187 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.884 -10.152 -3.171 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.601 -10.972 -4.231 1.00 0.00 C ATOM 1094 CE LYS A 82 -3.891 -10.301 -4.677 1.00 0.00 C ATOM 1095 NZ LYS A 82 -4.389 -10.857 -5.965 1.00 0.00 N ATOM 0 H LYS A 82 0.551 -7.906 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.065 -10.505 -1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.051 -9.897 -4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.211 -11.474 -3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.285 -10.396 -2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.075 -9.092 -3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.945 -11.110 -5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.823 -11.964 -3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.652 -10.430 -3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.724 -9.229 -4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.388 -10.597 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.827 -10.470 -6.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.300 -11.893 -5.953 1.00 0.00 H new ATOM 1109 N TYR A 83 2.196 -11.492 -1.862 1.00 0.00 N ATOM 1110 CA TYR A 83 3.596 -11.891 -1.945 1.00 0.00 C ATOM 1111 C TYR A 83 3.721 -13.393 -2.180 1.00 0.00 C ATOM 1112 O TYR A 83 3.001 -14.189 -1.579 1.00 0.00 O ATOM 1113 CB TYR A 83 4.337 -11.500 -0.665 1.00 0.00 C ATOM 1114 CG TYR A 83 5.834 -11.392 -0.841 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.395 -10.350 -1.569 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.689 -12.331 -0.278 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.763 -10.247 -1.733 1.00 0.00 C ATOM 1118 CE2 TYR A 83 8.059 -12.236 -0.435 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.590 -11.193 -1.164 1.00 0.00 C ATOM 1120 OH TYR A 83 9.953 -11.093 -1.323 1.00 0.00 O ATOM 0 H TYR A 83 1.550 -12.257 -1.670 1.00 0.00 H new ATOM 0 HA TYR A 83 4.046 -11.370 -2.790 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.952 -10.544 -0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.123 -12.238 0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.750 -9.607 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.276 -13.150 0.292 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.182 -9.431 -2.303 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.709 -12.974 0.011 1.00 0.00 H new ATOM 0 HH TYR A 83 10.155 -10.793 -2.234 1.00 0.00 H new ATOM 1130 N GLY A 84 4.644 -13.774 -3.059 1.00 0.00 N ATOM 1131 CA GLY A 84 4.848 -15.179 -3.358 1.00 0.00 C ATOM 1132 C GLY A 84 3.559 -15.975 -3.312 1.00 0.00 C ATOM 1133 O GLY A 84 3.504 -17.046 -2.709 1.00 0.00 O ATOM 0 H GLY A 84 5.253 -13.134 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.296 -15.275 -4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.557 -15.600 -2.645 1.00 0.00 H new ATOM 1137 N GLY A 85 2.517 -15.450 -3.949 1.00 0.00 N ATOM 1138 CA GLY A 85 1.236 -16.131 -3.964 1.00 0.00 C ATOM 1139 C GLY A 85 0.124 -15.263 -4.519 1.00 0.00 C ATOM 1140 O GLY A 85 0.104 -14.047 -4.330 1.00 0.00 O ATOM 0 H GLY A 85 2.537 -14.565 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.317 -17.038 -4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.980 -16.440 -2.950 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.828 -15.893 -5.223 1.00 0.00 N ATOM 1145 CA PRO A 86 -1.965 -15.189 -5.823 1.00 0.00 C ATOM 1146 C PRO A 86 -2.945 -14.673 -4.776 1.00 0.00 C ATOM 1147 O PRO A 86 -3.784 -13.820 -5.066 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.627 -16.261 -6.692 1.00 0.00 C ATOM 1149 CG PRO A 86 -2.242 -17.554 -6.059 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.867 -17.341 -5.488 1.00 0.00 C ATOM 0 HA PRO A 86 -1.650 -14.305 -6.378 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.710 -16.139 -6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.278 -16.206 -7.723 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.950 -17.833 -5.279 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.240 -18.362 -6.791 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.716 -17.920 -4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.089 -17.642 -6.190 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.832 -15.194 -3.558 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.709 -14.784 -2.468 1.00 0.00 C ATOM 1160 C GLN A 87 -3.102 -13.623 -1.688 1.00 0.00 C ATOM 1161 O GLN A 87 -1.983 -13.191 -1.968 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.974 -15.962 -1.529 1.00 0.00 C ATOM 1163 CG GLN A 87 -4.828 -17.056 -2.150 1.00 0.00 C ATOM 1164 CD GLN A 87 -5.368 -18.029 -1.121 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -4.616 -18.585 -0.320 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -6.679 -18.242 -1.138 1.00 0.00 N ATOM 0 H GLN A 87 -2.142 -15.900 -3.302 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.653 -14.453 -2.900 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -3.021 -16.389 -1.218 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.467 -15.595 -0.629 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.661 -16.601 -2.687 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.235 -17.601 -2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.265 -17.760 -1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -7.099 -18.888 -0.470 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.848 -13.120 -0.709 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.382 -12.008 0.112 1.00 0.00 C ATOM 1177 C HIS A 88 -2.522 -12.509 1.269 1.00 0.00 C ATOM 1178 O HIS A 88 -2.647 -13.657 1.695 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.571 -11.213 0.653 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.354 -10.508 -0.411 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.703 -9.176 -0.331 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -5.854 -10.956 -1.587 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.386 -8.837 -1.410 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.491 -9.899 -2.188 1.00 0.00 N ATOM 0 H HIS A 88 -4.777 -13.464 -0.465 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.773 -11.357 -0.515 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.234 -11.889 1.193 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.209 -10.479 1.373 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.768 -11.959 -1.979 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.790 -7.858 -1.620 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.968 -9.929 -3.089 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.650 -11.641 1.770 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.770 -11.996 2.877 1.00 0.00 C ATOM 1195 C ILE A 89 -1.521 -11.977 4.204 1.00 0.00 C ATOM 1196 O ILE A 89 -2.578 -11.357 4.323 1.00 0.00 O ATOM 1197 CB ILE A 89 0.434 -11.041 2.967 1.00 0.00 C ATOM 1198 CG1 ILE A 89 -0.040 -9.612 3.239 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.253 -11.098 1.686 1.00 0.00 C ATOM 1200 CD1 ILE A 89 0.984 -8.763 3.961 1.00 0.00 C ATOM 0 H ILE A 89 -1.534 -10.687 1.427 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.408 -13.006 2.682 1.00 0.00 H new ATOM 0 HB ILE A 89 1.068 -11.357 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.293 -9.135 2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.954 -9.648 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.101 -10.417 1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.617 -12.114 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.629 -10.804 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.580 -7.763 4.120 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.219 -9.217 4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.891 -8.697 3.360 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.966 -12.658 5.201 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.581 -12.717 6.522 1.00 0.00 C ATOM 1214 C VAL A 90 -1.910 -11.321 7.038 1.00 0.00 C ATOM 1215 O VAL A 90 -1.025 -10.581 7.464 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.664 -13.425 7.537 1.00 0.00 C ATOM 1217 CG1 VAL A 90 0.761 -12.903 7.425 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -1.196 -13.246 8.951 1.00 0.00 C ATOM 0 H VAL A 90 -0.092 -13.177 5.119 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.503 -13.289 6.416 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.654 -14.491 7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.394 -13.415 8.150 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.138 -13.088 6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.773 -11.832 7.626 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.536 -13.753 9.655 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.237 -12.184 9.192 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.196 -13.673 9.020 1.00 0.00 H new ATOM 1228 N GLY A 91 -3.191 -10.967 6.996 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.615 -9.660 7.463 1.00 0.00 C ATOM 1230 C GLY A 91 -4.356 -8.877 6.398 1.00 0.00 C ATOM 1231 O GLY A 91 -5.291 -8.136 6.701 1.00 0.00 O ATOM 0 H GLY A 91 -3.942 -11.562 6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.258 -9.780 8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.742 -9.092 7.786 1.00 0.00 H new ATOM 1235 N SER A 92 -3.937 -9.039 5.147 1.00 0.00 N ATOM 1236 CA SER A 92 -4.564 -8.336 4.034 1.00 0.00 C ATOM 1237 C SER A 92 -5.900 -8.977 3.670 1.00 0.00 C ATOM 1238 O SER A 92 -6.179 -10.127 4.011 1.00 0.00 O ATOM 1239 CB SER A 92 -3.638 -8.336 2.817 1.00 0.00 C ATOM 1240 OG SER A 92 -2.805 -7.189 2.810 1.00 0.00 O ATOM 0 H SER A 92 -3.166 -9.651 4.879 1.00 0.00 H new ATOM 0 HA SER A 92 -4.746 -7.307 4.343 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.023 -9.236 2.824 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.232 -8.363 1.904 1.00 0.00 H new ATOM 0 HG SER A 92 -2.905 -6.707 3.657 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.747 -8.217 2.961 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.425 -6.847 2.549 1.00 0.00 C ATOM 1248 C PRO A 93 -6.391 -5.880 3.729 1.00 0.00 C ATOM 1249 O PRO A 93 -6.816 -6.219 4.834 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.567 -6.486 1.595 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.701 -7.355 2.016 1.00 0.00 C ATOM 1252 CD PRO A 93 -8.083 -8.635 2.506 1.00 0.00 C ATOM 0 HA PRO A 93 -5.436 -6.779 2.097 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.828 -5.430 1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.290 -6.672 0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.287 -6.879 2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.379 -7.543 1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.663 -9.077 3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.022 -9.381 1.714 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.884 -4.676 3.487 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.794 -3.661 4.529 1.00 0.00 C ATOM 1262 C PHE A 94 -6.692 -2.469 4.207 1.00 0.00 C ATOM 1263 O PHE A 94 -6.606 -1.887 3.126 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.346 -3.194 4.692 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.454 -4.219 5.331 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.401 -4.348 6.710 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.668 -5.054 4.553 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.580 -5.290 7.300 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.846 -5.998 5.138 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.802 -6.117 6.514 1.00 0.00 C ATOM 0 H PHE A 94 -5.529 -4.380 2.578 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.132 -4.106 5.465 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.944 -2.934 3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.331 -2.285 5.294 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.008 -3.705 7.330 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.698 -4.966 3.477 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.547 -5.379 8.376 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.238 -6.642 4.520 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.161 -6.855 6.973 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.553 -2.113 5.153 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.467 -0.991 4.973 1.00 0.00 C ATOM 1282 C LYS A 95 -7.844 0.306 5.481 1.00 0.00 C ATOM 1283 O LYS A 95 -7.399 0.385 6.625 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.784 -1.257 5.705 1.00 0.00 C ATOM 1285 CG LYS A 95 -10.936 -0.394 5.219 1.00 0.00 C ATOM 1286 CD LYS A 95 -12.274 -1.088 5.413 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.541 -2.102 4.311 1.00 0.00 C ATOM 1288 NZ LYS A 95 -13.229 -1.484 3.144 1.00 0.00 N ATOM 0 H LYS A 95 -7.638 -2.585 6.053 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.666 -0.885 3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.051 -2.307 5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.638 -1.086 6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.935 0.553 5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.796 -0.160 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.288 -1.589 6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.072 -0.345 5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.598 -2.542 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.152 -2.914 4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.393 -2.207 2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.140 -1.087 3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.635 -0.726 2.752 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.817 1.319 4.622 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.252 2.613 4.985 1.00 0.00 C ATOM 1304 C ALA A 96 -8.298 3.718 4.881 1.00 0.00 C ATOM 1305 O ALA A 96 -8.773 4.038 3.791 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.055 2.933 4.102 1.00 0.00 C ATOM 0 H ALA A 96 -8.180 1.269 3.670 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.921 2.558 6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.643 3.902 4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.293 2.164 4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.370 2.963 3.059 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.654 4.298 6.022 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.644 5.367 6.061 1.00 0.00 C ATOM 1314 C LYS A 97 -8.968 6.733 6.118 1.00 0.00 C ATOM 1315 O LYS A 97 -8.110 6.977 6.967 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.567 5.193 7.269 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.522 6.355 7.478 1.00 0.00 C ATOM 1318 CD LYS A 97 -12.821 6.154 6.715 1.00 0.00 C ATOM 1319 CE LYS A 97 -13.504 7.481 6.418 1.00 0.00 C ATOM 1320 NZ LYS A 97 -14.788 7.292 5.687 1.00 0.00 N ATOM 0 H LYS A 97 -8.271 4.045 6.933 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.237 5.312 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.145 4.277 7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.959 5.068 8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.737 6.464 8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.047 7.280 7.152 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.618 5.631 5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.491 5.521 7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.692 8.010 7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.838 8.108 5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.223 8.219 5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.606 6.810 4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.434 6.715 6.263 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.359 7.622 5.210 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.792 8.964 5.160 1.00 0.00 C ATOM 1336 C VAL A 98 -9.807 10.007 5.616 1.00 0.00 C ATOM 1337 O VAL A 98 -10.978 9.957 5.238 1.00 0.00 O ATOM 1338 CB VAL A 98 -8.313 9.317 3.739 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.860 10.768 3.674 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -7.195 8.381 3.306 1.00 0.00 C ATOM 0 H VAL A 98 -10.066 7.437 4.499 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.938 8.973 5.837 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.148 9.191 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.525 11.000 2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.691 11.421 3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -7.038 10.924 4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.869 8.645 2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.356 8.473 3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.558 7.353 3.312 1.00 0.00 H new ATOM 1350 N THR A 99 -9.350 10.952 6.431 1.00 0.00 N ATOM 1351 CA THR A 99 -10.217 12.007 6.940 1.00 0.00 C ATOM 1352 C THR A 99 -9.934 13.334 6.245 1.00 0.00 C ATOM 1353 O THR A 99 -8.878 13.517 5.641 1.00 0.00 O ATOM 1354 CB THR A 99 -10.046 12.190 8.460 1.00 0.00 C ATOM 1355 OG1 THR A 99 -10.854 13.281 8.916 1.00 0.00 O ATOM 1356 CG2 THR A 99 -8.589 12.450 8.813 1.00 0.00 C ATOM 0 H THR A 99 -8.384 11.008 6.753 1.00 0.00 H new ATOM 0 HA THR A 99 -11.242 11.702 6.731 1.00 0.00 H new ATOM 0 HB THR A 99 -10.365 11.271 8.952 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.741 13.390 9.883 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.493 12.576 9.891 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.980 11.605 8.491 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.249 13.355 8.310 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.886 14.258 6.335 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.720 15.557 5.710 1.00 0.00 C ATOM 1366 C GLY A 100 -11.584 15.721 4.475 1.00 0.00 C ATOM 1367 O GLY A 100 -12.130 14.756 3.941 1.00 0.00 O ATOM 0 H GLY A 100 -11.769 14.130 6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.968 16.337 6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.673 15.695 5.438 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.719 16.970 4.004 1.00 0.00 N ATOM 1372 CA PRO A 101 -12.523 17.287 2.820 1.00 0.00 C ATOM 1373 C PRO A 101 -11.891 16.766 1.534 1.00 0.00 C ATOM 1374 O PRO A 101 -10.774 16.249 1.545 1.00 0.00 O ATOM 1375 CB PRO A 101 -12.559 18.817 2.816 1.00 0.00 C ATOM 1376 CG PRO A 101 -11.330 19.228 3.550 1.00 0.00 C ATOM 1377 CD PRO A 101 -11.096 18.169 4.591 1.00 0.00 C ATOM 0 HA PRO A 101 -13.509 16.823 2.860 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.563 19.210 1.799 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.457 19.193 3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.479 19.305 2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.460 20.207 4.011 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.033 18.018 4.779 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.554 18.434 5.544 1.00 0.00 H new