USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 617 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 7 THR OG1 : rot 180:sc=-0.00384 USER MOD Single : A 15 SER OG : rot -157:sc= 0.977 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.026) USER MOD Single : A 20 ASN : amide:sc= 1.09 K(o=1.1,f=-0.11) USER MOD Single : A 21 THR OG1 : rot 91:sc= 1.19 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.185 USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.11) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -112:sc= 0.977 USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 2.41 (180deg=2.24) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -166:sc= 0.846 USER MOD Single : A 64 SER OG : rot -170:sc= 0.835 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -106:sc= 0.0565 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -2.807 12.786 -14.301 1.00 10.00 N ATOM 95 CA LEU A 6 -1.972 12.212 -13.252 1.00 10.00 C ATOM 96 C LEU A 6 -0.956 13.267 -12.801 1.00 10.00 C ATOM 97 O LEU A 6 -0.099 13.697 -13.570 1.00 10.00 O ATOM 98 CB LEU A 6 -1.275 10.938 -13.763 1.00 10.00 C ATOM 99 CG LEU A 6 -2.259 9.813 -14.146 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.658 9.845 -15.629 1.00 10.00 C ATOM 101 CD2 LEU A 6 -1.648 8.439 -13.853 1.00 10.00 C ATOM 0 HA LEU A 6 -2.585 11.925 -12.398 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -0.666 11.189 -14.631 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -0.596 10.571 -12.993 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.151 9.982 -13.542 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -3.351 9.030 -15.837 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -3.138 10.797 -15.856 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -1.768 9.731 -16.248 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -2.357 7.659 -14.130 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -0.731 8.318 -14.430 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -1.420 8.361 -12.790 1.00 10.00 H new ATOM 113 N THR A 7 -1.116 13.709 -11.554 1.00 10.00 N ATOM 114 CA THR A 7 -0.436 14.861 -10.961 1.00 10.00 C ATOM 115 C THR A 7 -0.250 14.630 -9.459 1.00 10.00 C ATOM 116 O THR A 7 -0.778 13.653 -8.919 1.00 10.00 O ATOM 117 CB THR A 7 -1.285 16.120 -11.247 1.00 10.00 C ATOM 118 OG1 THR A 7 -0.573 17.285 -10.917 1.00 10.00 O ATOM 119 CG2 THR A 7 -2.614 16.178 -10.483 1.00 10.00 C ATOM 0 H THR A 7 -1.752 13.253 -10.900 1.00 10.00 H new ATOM 0 HA THR A 7 0.555 14.998 -11.395 1.00 10.00 H new ATOM 0 HB THR A 7 -1.506 16.059 -12.313 1.00 10.00 H new ATOM 0 HG1 THR A 7 -1.126 18.071 -11.107 1.00 10.00 H new ATOM 0 HG21 THR A 7 -3.144 17.094 -10.744 1.00 10.00 H new ATOM 0 HG22 THR A 7 -3.225 15.316 -10.751 1.00 10.00 H new ATOM 0 HG23 THR A 7 -2.418 16.165 -9.411 1.00 10.00 H new ATOM 127 N GLU A 8 0.445 15.547 -8.783 1.00 10.00 N ATOM 128 CA GLU A 8 0.690 15.672 -7.334 1.00 10.00 C ATOM 129 C GLU A 8 -0.597 15.872 -6.490 1.00 10.00 C ATOM 130 O GLU A 8 -0.647 16.670 -5.556 1.00 10.00 O ATOM 131 CB GLU A 8 1.723 16.792 -7.070 1.00 10.00 C ATOM 132 CG GLU A 8 3.078 16.610 -7.778 1.00 10.00 C ATOM 133 CD GLU A 8 3.124 17.289 -9.154 1.00 10.00 C ATOM 134 OE1 GLU A 8 2.510 16.731 -10.092 1.00 10.00 O ATOM 135 OE2 GLU A 8 3.756 18.365 -9.249 1.00 10.00 O ATOM 0 H GLU A 8 0.902 16.306 -9.288 1.00 10.00 H new ATOM 0 HA GLU A 8 1.097 14.717 -7.001 1.00 10.00 H new ATOM 0 HB2 GLU A 8 1.292 17.743 -7.382 1.00 10.00 H new ATOM 0 HB3 GLU A 8 1.898 16.858 -5.996 1.00 10.00 H new ATOM 0 HG2 GLU A 8 3.869 17.018 -7.149 1.00 10.00 H new ATOM 0 HG3 GLU A 8 3.282 15.546 -7.896 1.00 10.00 H new ATOM 142 N GLY A 9 -1.650 15.135 -6.841 1.00 10.00 N ATOM 143 CA GLY A 9 -2.953 15.062 -6.199 1.00 10.00 C ATOM 144 C GLY A 9 -3.581 13.699 -6.489 1.00 10.00 C ATOM 145 O GLY A 9 -3.776 12.915 -5.566 1.00 10.00 O ATOM 0 H GLY A 9 -1.604 14.521 -7.654 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -2.850 15.207 -5.124 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -3.599 15.859 -6.568 1.00 10.00 H new ATOM 149 N ASP A 10 -3.774 13.359 -7.771 1.00 10.00 N ATOM 150 CA ASP A 10 -4.229 12.023 -8.192 1.00 10.00 C ATOM 151 C ASP A 10 -3.227 10.927 -7.793 1.00 10.00 C ATOM 152 O ASP A 10 -3.612 9.881 -7.269 1.00 10.00 O ATOM 153 CB ASP A 10 -4.433 11.991 -9.718 1.00 10.00 C ATOM 154 CG ASP A 10 -5.761 12.608 -10.161 1.00 10.00 C ATOM 155 OD1 ASP A 10 -5.935 13.829 -9.953 1.00 10.00 O ATOM 156 OD2 ASP A 10 -6.587 11.852 -10.727 1.00 10.00 O ATOM 0 H ASP A 10 -3.619 14.002 -8.548 1.00 10.00 H new ATOM 0 HA ASP A 10 -5.173 11.825 -7.684 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -3.613 12.525 -10.199 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -4.387 10.958 -10.063 1.00 10.00 H new ATOM 161 N LEU A 11 -1.931 11.178 -8.015 1.00 10.00 N ATOM 162 CA LEU A 11 -0.869 10.240 -7.669 1.00 10.00 C ATOM 163 C LEU A 11 -0.742 10.073 -6.151 1.00 10.00 C ATOM 164 O LEU A 11 -0.562 8.952 -5.678 1.00 10.00 O ATOM 165 CB LEU A 11 0.453 10.728 -8.287 1.00 10.00 C ATOM 166 CG LEU A 11 0.486 10.696 -9.830 1.00 10.00 C ATOM 167 CD1 LEU A 11 1.793 11.314 -10.333 1.00 10.00 C ATOM 168 CD2 LEU A 11 0.374 9.272 -10.386 1.00 10.00 C ATOM 0 H LEU A 11 -1.594 12.041 -8.441 1.00 10.00 H new ATOM 0 HA LEU A 11 -1.116 9.259 -8.074 1.00 10.00 H new ATOM 0 HB2 LEU A 11 0.641 11.748 -7.953 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.267 10.112 -7.905 1.00 10.00 H new ATOM 0 HG LEU A 11 -0.374 11.267 -10.179 1.00 10.00 H new ATOM 0 HD11 LEU A 11 1.812 11.289 -11.423 1.00 10.00 H new ATOM 0 HD12 LEU A 11 1.862 12.347 -9.992 1.00 10.00 H new ATOM 0 HD13 LEU A 11 2.638 10.746 -9.943 1.00 10.00 H new ATOM 0 HD21 LEU A 11 0.402 9.303 -11.475 1.00 10.00 H new ATOM 0 HD22 LEU A 11 1.206 8.672 -10.019 1.00 10.00 H new ATOM 0 HD23 LEU A 11 -0.566 8.827 -10.060 1.00 10.00 H new ATOM 180 N ASP A 12 -0.844 11.165 -5.382 1.00 10.00 N ATOM 181 CA ASP A 12 -0.852 11.078 -3.923 1.00 10.00 C ATOM 182 C ASP A 12 -2.125 10.457 -3.332 1.00 10.00 C ATOM 183 O ASP A 12 -2.031 9.727 -2.351 1.00 10.00 O ATOM 184 CB ASP A 12 -0.434 12.384 -3.240 1.00 10.00 C ATOM 185 CG ASP A 12 0.114 12.098 -1.831 1.00 10.00 C ATOM 186 OD1 ASP A 12 0.803 11.055 -1.673 1.00 10.00 O ATOM 187 OD2 ASP A 12 -0.154 12.925 -0.934 1.00 10.00 O ATOM 0 H ASP A 12 -0.922 12.114 -5.748 1.00 10.00 H new ATOM 0 HA ASP A 12 -0.069 10.357 -3.685 1.00 10.00 H new ATOM 0 HB2 ASP A 12 0.326 12.888 -3.838 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -1.288 13.058 -3.176 1.00 10.00 H new ATOM 192 N GLU A 13 -3.311 10.696 -3.911 1.00 10.00 N ATOM 193 CA GLU A 13 -4.528 9.961 -3.533 1.00 10.00 C ATOM 194 C GLU A 13 -4.302 8.445 -3.657 1.00 10.00 C ATOM 195 O GLU A 13 -4.641 7.693 -2.744 1.00 10.00 O ATOM 196 CB GLU A 13 -5.719 10.434 -4.388 1.00 10.00 C ATOM 197 CG GLU A 13 -7.046 9.785 -3.961 1.00 10.00 C ATOM 198 CD GLU A 13 -8.216 10.241 -4.844 1.00 10.00 C ATOM 199 OE1 GLU A 13 -8.720 11.362 -4.607 1.00 10.00 O ATOM 200 OE2 GLU A 13 -8.609 9.457 -5.738 1.00 10.00 O ATOM 0 H GLU A 13 -3.454 11.392 -4.643 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.763 10.170 -2.489 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.808 11.518 -4.313 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -5.525 10.202 -5.435 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -6.953 8.700 -4.013 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -7.256 10.037 -2.922 1.00 10.00 H new ATOM 207 N ILE A 14 -3.656 8.000 -4.743 1.00 10.00 N ATOM 208 CA ILE A 14 -3.229 6.606 -4.913 1.00 10.00 C ATOM 209 C ILE A 14 -2.156 6.208 -3.878 1.00 10.00 C ATOM 210 O ILE A 14 -2.274 5.134 -3.285 1.00 10.00 O ATOM 211 CB ILE A 14 -2.782 6.368 -6.373 1.00 10.00 C ATOM 212 CG1 ILE A 14 -3.997 6.478 -7.326 1.00 10.00 C ATOM 213 CG2 ILE A 14 -2.094 4.998 -6.528 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.618 6.590 -8.809 1.00 10.00 C ATOM 0 H ILE A 14 -3.414 8.600 -5.532 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.077 5.949 -4.720 1.00 10.00 H new ATOM 0 HB ILE A 14 -2.056 7.136 -6.638 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.634 5.604 -7.189 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.588 7.350 -7.046 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.791 4.859 -7.566 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.215 4.957 -5.884 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.789 4.208 -6.244 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.523 6.663 -9.411 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -3.007 7.480 -8.962 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -3.054 5.707 -9.108 1.00 10.00 H new ATOM 226 N SER A 15 -1.158 7.063 -3.595 1.00 10.00 N ATOM 227 CA SER A 15 -0.142 6.785 -2.560 1.00 10.00 C ATOM 228 C SER A 15 -0.794 6.575 -1.184 1.00 10.00 C ATOM 229 O SER A 15 -0.489 5.603 -0.488 1.00 10.00 O ATOM 230 CB SER A 15 0.942 7.892 -2.520 1.00 10.00 C ATOM 231 OG SER A 15 0.908 8.676 -1.336 1.00 10.00 O ATOM 0 H SER A 15 -1.032 7.957 -4.070 1.00 10.00 H new ATOM 0 HA SER A 15 0.359 5.855 -2.827 1.00 10.00 H new ATOM 0 HB2 SER A 15 1.925 7.430 -2.612 1.00 10.00 H new ATOM 0 HB3 SER A 15 0.814 8.546 -3.383 1.00 10.00 H new ATOM 0 HG SER A 15 1.333 9.543 -1.505 1.00 10.00 H new ATOM 237 N SER A 16 -1.770 7.426 -0.847 1.00 10.00 N ATOM 238 CA SER A 16 -2.551 7.365 0.384 1.00 10.00 C ATOM 239 C SER A 16 -3.452 6.130 0.417 1.00 10.00 C ATOM 240 O SER A 16 -3.461 5.426 1.427 1.00 10.00 O ATOM 241 CB SER A 16 -3.375 8.651 0.516 1.00 10.00 C ATOM 242 OG SER A 16 -4.212 8.606 1.656 1.00 10.00 O ATOM 0 H SER A 16 -2.044 8.202 -1.449 1.00 10.00 H new ATOM 0 HA SER A 16 -1.870 7.281 1.231 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.707 9.509 0.586 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.981 8.791 -0.379 1.00 10.00 H new ATOM 0 HG SER A 16 -4.725 9.438 1.718 1.00 10.00 H new ATOM 248 N PHE A 17 -4.136 5.805 -0.689 1.00 10.00 N ATOM 249 CA PHE A 17 -4.953 4.594 -0.799 1.00 10.00 C ATOM 250 C PHE A 17 -4.119 3.321 -0.590 1.00 10.00 C ATOM 251 O PHE A 17 -4.538 2.413 0.133 1.00 10.00 O ATOM 252 CB PHE A 17 -5.646 4.585 -2.170 1.00 10.00 C ATOM 253 CG PHE A 17 -6.343 3.282 -2.506 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.539 2.934 -1.851 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.773 2.395 -3.442 1.00 10.00 C ATOM 256 CE1 PHE A 17 -8.161 1.703 -2.126 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.395 1.164 -3.716 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.587 0.819 -3.056 1.00 10.00 C ATOM 0 H PHE A 17 -4.137 6.378 -1.533 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.705 4.603 -0.010 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.377 5.393 -2.200 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.905 4.797 -2.941 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.980 3.613 -1.136 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -4.857 2.661 -3.949 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -9.079 1.437 -1.623 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -5.957 0.485 -4.433 1.00 10.00 H new ATOM 0 HZ PHE A 17 -8.063 -0.128 -3.264 1.00 10.00 H new ATOM 268 N LEU A 18 -2.918 3.264 -1.175 1.00 10.00 N ATOM 269 CA LEU A 18 -1.995 2.143 -1.004 1.00 10.00 C ATOM 270 C LEU A 18 -1.439 2.073 0.422 1.00 10.00 C ATOM 271 O LEU A 18 -1.456 0.996 1.021 1.00 10.00 O ATOM 272 CB LEU A 18 -0.875 2.263 -2.050 1.00 10.00 C ATOM 273 CG LEU A 18 -1.367 1.985 -3.483 1.00 10.00 C ATOM 274 CD1 LEU A 18 -0.301 2.393 -4.503 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.704 0.508 -3.680 1.00 10.00 C ATOM 0 H LEU A 18 -2.559 4.000 -1.783 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.533 1.208 -1.160 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.447 3.265 -2.005 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -0.076 1.564 -1.803 1.00 10.00 H new ATOM 0 HG LEU A 18 -2.270 2.575 -3.636 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.665 2.190 -5.510 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -0.089 3.457 -4.401 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.611 1.823 -4.325 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -2.048 0.346 -4.702 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.815 -0.096 -3.497 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.490 0.218 -2.982 1.00 10.00 H new ATOM 287 N HIS A 19 -1.021 3.208 0.999 1.00 10.00 N ATOM 288 CA HIS A 19 -0.573 3.270 2.390 1.00 10.00 C ATOM 289 C HIS A 19 -1.675 2.803 3.352 1.00 10.00 C ATOM 290 O HIS A 19 -1.419 1.916 4.170 1.00 10.00 O ATOM 291 CB HIS A 19 -0.081 4.690 2.712 1.00 10.00 C ATOM 292 CG HIS A 19 0.400 4.907 4.131 1.00 10.00 C ATOM 293 ND1 HIS A 19 0.551 6.131 4.743 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.775 3.961 5.051 1.00 10.00 C ATOM 295 CE1 HIS A 19 0.996 5.921 5.995 1.00 10.00 C ATOM 296 NE2 HIS A 19 1.142 4.609 6.231 1.00 10.00 N ATOM 0 H HIS A 19 -0.985 4.104 0.513 1.00 10.00 H new ATOM 0 HA HIS A 19 0.263 2.584 2.527 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.732 4.938 2.029 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.891 5.391 2.510 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.785 2.893 4.889 1.00 10.00 H new ATOM 0 HE1 HIS A 19 1.207 6.701 6.711 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.457 4.173 7.098 1.00 10.00 H new ATOM 304 N ASN A 20 -2.907 3.316 3.219 1.00 10.00 N ATOM 305 CA ASN A 20 -4.040 2.828 4.008 1.00 10.00 C ATOM 306 C ASN A 20 -4.320 1.346 3.754 1.00 10.00 C ATOM 307 O ASN A 20 -4.557 0.623 4.711 1.00 10.00 O ATOM 308 CB ASN A 20 -5.302 3.678 3.773 1.00 10.00 C ATOM 309 CG ASN A 20 -5.514 4.664 4.908 1.00 10.00 C ATOM 310 OD1 ASN A 20 -5.175 5.834 4.817 1.00 10.00 O ATOM 311 ND2 ASN A 20 -6.062 4.213 6.020 1.00 10.00 N ATOM 0 H ASN A 20 -3.141 4.069 2.572 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.760 2.930 5.056 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.211 4.218 2.830 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -6.172 3.027 3.685 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -6.205 4.842 6.810 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -6.343 3.235 6.090 1.00 10.00 H new ATOM 318 N THR A 21 -4.218 0.855 2.514 1.00 10.00 N ATOM 319 CA THR A 21 -4.514 -0.555 2.213 1.00 10.00 C ATOM 320 C THR A 21 -3.578 -1.497 2.983 1.00 10.00 C ATOM 321 O THR A 21 -4.050 -2.464 3.581 1.00 10.00 O ATOM 322 CB THR A 21 -4.448 -0.822 0.700 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.378 -0.005 0.025 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.816 -2.265 0.350 1.00 10.00 C ATOM 0 H THR A 21 -3.935 1.408 1.705 1.00 10.00 H new ATOM 0 HA THR A 21 -5.532 -0.759 2.544 1.00 10.00 H new ATOM 0 HB THR A 21 -3.421 -0.615 0.399 1.00 10.00 H new ATOM 0 HG1 THR A 21 -4.950 0.840 -0.226 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.755 -2.405 -0.729 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.124 -2.947 0.844 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.832 -2.473 0.686 1.00 10.00 H new ATOM 332 N ILE A 22 -2.277 -1.183 3.052 1.00 10.00 N ATOM 333 CA ILE A 22 -1.325 -1.928 3.893 1.00 10.00 C ATOM 334 C ILE A 22 -1.581 -1.659 5.384 1.00 10.00 C ATOM 335 O ILE A 22 -1.629 -2.601 6.175 1.00 10.00 O ATOM 336 CB ILE A 22 0.128 -1.555 3.531 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.411 -1.799 2.041 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.163 -2.335 4.368 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.856 -1.508 1.655 1.00 10.00 C ATOM 0 H ILE A 22 -1.856 -0.413 2.532 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.473 -2.991 3.703 1.00 10.00 H new ATOM 0 HB ILE A 22 0.229 -0.493 3.757 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.177 -2.835 1.797 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.252 -1.173 1.443 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.169 -2.035 4.074 1.00 10.00 H new ATOM 0 HG22 ILE A 22 1.014 -2.117 5.426 1.00 10.00 H new ATOM 0 HG23 ILE A 22 1.038 -3.404 4.197 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.994 -1.699 0.591 1.00 10.00 H new ATOM 0 HD12 ILE A 22 2.087 -0.464 1.869 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.523 -2.152 2.228 1.00 10.00 H new ATOM 351 N SER A 23 -1.743 -0.389 5.781 1.00 10.00 N ATOM 352 CA SER A 23 -1.893 0.000 7.187 1.00 10.00 C ATOM 353 C SER A 23 -3.128 -0.639 7.833 1.00 10.00 C ATOM 354 O SER A 23 -3.002 -1.266 8.881 1.00 10.00 O ATOM 355 CB SER A 23 -1.944 1.527 7.304 1.00 10.00 C ATOM 356 OG SER A 23 -1.883 1.915 8.660 1.00 10.00 O ATOM 0 H SER A 23 -1.774 0.398 5.133 1.00 10.00 H new ATOM 0 HA SER A 23 -1.024 -0.371 7.731 1.00 10.00 H new ATOM 0 HB2 SER A 23 -1.113 1.969 6.754 1.00 10.00 H new ATOM 0 HB3 SER A 23 -2.862 1.903 6.852 1.00 10.00 H new ATOM 0 HG SER A 23 -1.915 2.893 8.722 1.00 10.00 H new ATOM 362 N ASP A 24 -4.295 -0.573 7.183 1.00 10.00 N ATOM 363 CA ASP A 24 -5.528 -1.224 7.627 1.00 10.00 C ATOM 364 C ASP A 24 -5.434 -2.757 7.575 1.00 10.00 C ATOM 365 O ASP A 24 -5.986 -3.417 8.457 1.00 10.00 O ATOM 366 CB ASP A 24 -6.722 -0.715 6.803 1.00 10.00 C ATOM 367 CG ASP A 24 -7.116 0.714 7.195 1.00 10.00 C ATOM 368 OD1 ASP A 24 -7.727 0.846 8.278 1.00 10.00 O ATOM 369 OD2 ASP A 24 -6.823 1.658 6.423 1.00 10.00 O ATOM 0 H ASP A 24 -4.409 -0.053 6.313 1.00 10.00 H new ATOM 0 HA ASP A 24 -5.680 -0.959 8.673 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.471 -0.745 5.743 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.574 -1.380 6.948 1.00 10.00 H new ATOM 374 N PHE A 25 -4.704 -3.348 6.610 1.00 10.00 N ATOM 375 CA PHE A 25 -4.434 -4.790 6.642 1.00 10.00 C ATOM 376 C PHE A 25 -3.615 -5.155 7.891 1.00 10.00 C ATOM 377 O PHE A 25 -4.012 -6.055 8.634 1.00 10.00 O ATOM 378 CB PHE A 25 -3.715 -5.211 5.343 1.00 10.00 C ATOM 379 CG PHE A 25 -3.410 -6.695 5.193 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.347 -7.282 5.910 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.141 -7.482 4.281 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.048 -8.647 5.748 1.00 10.00 C ATOM 383 CE2 PHE A 25 -3.854 -8.851 4.134 1.00 10.00 C ATOM 384 CZ PHE A 25 -2.815 -9.436 4.876 1.00 10.00 C ATOM 0 H PHE A 25 -4.299 -2.856 5.814 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.375 -5.336 6.701 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.327 -4.900 4.497 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.777 -4.660 5.277 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.759 -6.680 6.587 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -4.926 -7.032 3.692 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -1.228 -9.088 6.295 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.433 -9.453 3.450 1.00 10.00 H new ATOM 0 HZ PHE A 25 -2.606 -10.491 4.776 1.00 10.00 H new ATOM 394 N ILE A 26 -2.555 -4.393 8.205 1.00 10.00 N ATOM 395 CA ILE A 26 -1.716 -4.607 9.379 1.00 10.00 C ATOM 396 C ILE A 26 -2.534 -4.407 10.660 1.00 10.00 C ATOM 397 O ILE A 26 -2.567 -5.318 11.481 1.00 10.00 O ATOM 398 CB ILE A 26 -0.467 -3.701 9.278 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.513 -4.296 8.238 1.00 10.00 C ATOM 400 CG2 ILE A 26 0.207 -3.536 10.644 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.747 -3.428 7.957 1.00 10.00 C ATOM 0 H ILE A 26 -2.258 -3.600 7.636 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.357 -5.635 9.420 1.00 10.00 H new ATOM 0 HB ILE A 26 -0.773 -2.708 8.950 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.844 -5.274 8.588 1.00 10.00 H new ATOM 0 HG13 ILE A 26 -0.023 -4.457 7.303 1.00 10.00 H new ATOM 0 HG21 ILE A 26 1.082 -2.894 10.543 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.496 -3.084 11.344 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.514 -4.512 11.018 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.378 -3.921 7.217 1.00 10.00 H new ATOM 0 HD12 ILE A 26 1.430 -2.458 7.574 1.00 10.00 H new ATOM 0 HD13 ILE A 26 2.311 -3.288 8.879 1.00 10.00 H new ATOM 413 N LEU A 27 -3.271 -3.295 10.787 1.00 10.00 N ATOM 414 CA LEU A 27 -4.127 -2.976 11.941 1.00 10.00 C ATOM 415 C LEU A 27 -5.223 -4.019 12.205 1.00 10.00 C ATOM 416 O LEU A 27 -5.748 -4.077 13.317 1.00 10.00 O ATOM 417 CB LEU A 27 -4.766 -1.582 11.739 1.00 10.00 C ATOM 418 CG LEU A 27 -4.098 -0.412 12.483 1.00 10.00 C ATOM 419 CD1 LEU A 27 -4.335 -0.520 13.993 1.00 10.00 C ATOM 420 CD2 LEU A 27 -2.596 -0.281 12.216 1.00 10.00 C ATOM 0 H LEU A 27 -3.289 -2.571 10.069 1.00 10.00 H new ATOM 0 HA LEU A 27 -3.482 -2.982 12.820 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -4.763 -1.356 10.673 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -5.809 -1.635 12.051 1.00 10.00 H new ATOM 0 HG LEU A 27 -4.571 0.487 12.088 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -3.854 0.318 14.498 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -5.406 -0.499 14.196 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -3.914 -1.456 14.361 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -2.199 0.566 12.776 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -2.090 -1.193 12.531 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -2.428 -0.122 11.151 1.00 10.00 H new ATOM 432 N LYS A 28 -5.553 -4.853 11.210 1.00 10.00 N ATOM 433 CA LYS A 28 -6.527 -5.943 11.327 1.00 10.00 C ATOM 434 C LYS A 28 -5.873 -7.329 11.217 1.00 10.00 C ATOM 435 O LYS A 28 -6.588 -8.333 11.125 1.00 10.00 O ATOM 436 CB LYS A 28 -7.681 -5.699 10.338 1.00 10.00 C ATOM 437 CG LYS A 28 -8.364 -4.343 10.621 1.00 10.00 C ATOM 438 CD LYS A 28 -9.591 -4.071 9.746 1.00 10.00 C ATOM 439 CE LYS A 28 -10.763 -4.957 10.174 1.00 10.00 C ATOM 440 NZ LYS A 28 -12.010 -4.581 9.468 1.00 10.00 N ATOM 0 H LYS A 28 -5.140 -4.786 10.280 1.00 10.00 H new ATOM 0 HA LYS A 28 -6.956 -5.943 12.329 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -7.301 -5.714 9.317 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -8.412 -6.504 10.418 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -8.663 -4.310 11.669 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -7.638 -3.544 10.471 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -9.874 -3.021 9.823 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -9.348 -4.260 8.700 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -10.527 -6.001 9.967 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -10.912 -4.871 11.250 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -12.786 -5.200 9.780 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -12.247 -3.592 9.685 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -11.874 -4.687 8.442 1.00 10.00 H new ATOM 454 N ARG A 29 -4.532 -7.404 11.233 1.00 10.00 N ATOM 455 CA ARG A 29 -3.722 -8.630 11.366 1.00 10.00 C ATOM 456 C ARG A 29 -2.928 -8.671 12.687 1.00 10.00 C ATOM 457 O ARG A 29 -2.848 -9.740 13.281 1.00 10.00 O ATOM 458 CB ARG A 29 -2.751 -8.766 10.171 1.00 10.00 C ATOM 459 CG ARG A 29 -3.151 -9.784 9.087 1.00 10.00 C ATOM 460 CD ARG A 29 -4.223 -9.333 8.092 1.00 10.00 C ATOM 461 NE ARG A 29 -5.555 -9.263 8.695 1.00 10.00 N ATOM 462 CZ ARG A 29 -6.717 -9.289 8.068 1.00 10.00 C ATOM 463 NH1 ARG A 29 -6.811 -9.426 6.765 1.00 10.00 N ATOM 464 NH2 ARG A 29 -7.805 -9.164 8.785 1.00 10.00 N ATOM 0 H ARG A 29 -3.952 -6.569 11.149 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.418 -9.469 11.374 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -2.646 -7.788 9.701 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -1.769 -9.042 10.556 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -2.257 -10.055 8.526 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -3.503 -10.689 9.582 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -3.956 -8.354 7.695 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -4.245 -10.024 7.249 1.00 10.00 H new ATOM 0 HE ARG A 29 -5.589 -9.186 9.711 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -5.967 -9.517 6.200 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -7.728 -9.441 6.319 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -7.739 -9.051 9.797 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -8.719 -9.180 8.332 1.00 10.00 H new ATOM 478 N VAL A 30 -2.375 -7.543 13.156 1.00 10.00 N ATOM 479 CA VAL A 30 -1.549 -7.432 14.376 1.00 10.00 C ATOM 480 C VAL A 30 -1.871 -6.111 15.101 1.00 10.00 C ATOM 481 O VAL A 30 -2.207 -5.115 14.461 1.00 10.00 O ATOM 482 CB VAL A 30 -0.041 -7.526 14.032 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.787 -7.718 15.306 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.315 -8.691 13.095 1.00 10.00 C ATOM 0 H VAL A 30 -2.493 -6.648 12.682 1.00 10.00 H new ATOM 0 HA VAL A 30 -1.785 -8.263 15.041 1.00 10.00 H new ATOM 0 HB VAL A 30 0.188 -6.588 13.526 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.844 -7.782 15.047 1.00 10.00 H new ATOM 0 HG12 VAL A 30 0.628 -6.872 15.974 1.00 10.00 H new ATOM 0 HG13 VAL A 30 0.479 -8.637 15.805 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.388 -8.688 12.902 1.00 10.00 H new ATOM 0 HG22 VAL A 30 0.033 -9.634 13.563 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.223 -8.578 12.154 1.00 10.00 H new ATOM 494 N SER A 31 -1.810 -6.081 16.440 1.00 10.00 N ATOM 495 CA SER A 31 -2.322 -4.954 17.230 1.00 10.00 C ATOM 496 C SER A 31 -1.390 -3.739 17.302 1.00 10.00 C ATOM 497 O SER A 31 -0.212 -3.854 17.622 1.00 10.00 O ATOM 498 CB SER A 31 -2.600 -5.423 18.660 1.00 10.00 C ATOM 499 OG SER A 31 -3.200 -4.375 19.402 1.00 10.00 O ATOM 0 H SER A 31 -1.408 -6.831 17.002 1.00 10.00 H new ATOM 0 HA SER A 31 -3.224 -4.626 16.714 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.257 -6.293 18.646 1.00 10.00 H new ATOM 0 HB3 SER A 31 -1.671 -5.733 19.138 1.00 10.00 H new ATOM 0 HG SER A 31 -3.377 -4.681 20.316 1.00 10.00 H new ATOM 505 N ALA A 32 -1.947 -2.533 17.149 1.00 10.00 N ATOM 506 CA ALA A 32 -1.258 -1.279 17.457 1.00 10.00 C ATOM 507 C ALA A 32 -0.662 -1.245 18.883 1.00 10.00 C ATOM 508 O ALA A 32 0.296 -0.516 19.114 1.00 10.00 O ATOM 509 CB ALA A 32 -2.223 -0.111 17.232 1.00 10.00 C ATOM 0 H ALA A 32 -2.898 -2.401 16.804 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.405 -1.193 16.783 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.718 0.828 17.459 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -2.550 -0.104 16.192 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -3.089 -0.224 17.884 1.00 10.00 H new ATOM 515 N LYS A 33 -1.201 -2.026 19.839 1.00 10.00 N ATOM 516 CA LYS A 33 -0.622 -2.177 21.185 1.00 10.00 C ATOM 517 C LYS A 33 0.690 -2.987 21.214 1.00 10.00 C ATOM 518 O LYS A 33 1.466 -2.821 22.151 1.00 10.00 O ATOM 519 CB LYS A 33 -1.685 -2.761 22.139 1.00 10.00 C ATOM 520 CG LYS A 33 -1.113 -3.015 23.542 1.00 10.00 C ATOM 521 CD LYS A 33 -2.162 -3.293 24.623 1.00 10.00 C ATOM 522 CE LYS A 33 -1.495 -3.870 25.883 1.00 10.00 C ATOM 523 NZ LYS A 33 -0.364 -3.037 26.364 1.00 10.00 N ATOM 0 H LYS A 33 -2.052 -2.570 19.698 1.00 10.00 H new ATOM 0 HA LYS A 33 -0.335 -1.183 21.528 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -2.528 -2.073 22.209 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -2.069 -3.695 21.728 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -0.430 -3.863 23.492 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -0.524 -2.148 23.841 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -2.689 -2.372 24.872 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -2.906 -3.994 24.245 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -2.239 -3.958 26.675 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -1.135 -4.877 25.670 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -0.082 -3.350 27.315 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 0.442 -3.137 25.714 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -0.658 -2.040 26.401 1.00 10.00 H new ATOM 537 N GLU A 34 0.952 -3.839 20.217 1.00 10.00 N ATOM 538 CA GLU A 34 2.150 -4.697 20.157 1.00 10.00 C ATOM 539 C GLU A 34 3.086 -4.319 18.997 1.00 10.00 C ATOM 540 O GLU A 34 4.120 -4.951 18.792 1.00 10.00 O ATOM 541 CB GLU A 34 1.728 -6.176 20.135 1.00 10.00 C ATOM 542 CG GLU A 34 1.327 -6.694 18.744 1.00 10.00 C ATOM 543 CD GLU A 34 0.451 -7.944 18.813 1.00 10.00 C ATOM 544 OE1 GLU A 34 0.928 -8.931 19.423 1.00 10.00 O ATOM 545 OE2 GLU A 34 -0.672 -7.894 18.255 1.00 10.00 O ATOM 0 H GLU A 34 0.332 -3.957 19.416 1.00 10.00 H new ATOM 0 HA GLU A 34 2.741 -4.531 21.058 1.00 10.00 H new ATOM 0 HB2 GLU A 34 2.550 -6.783 20.514 1.00 10.00 H new ATOM 0 HB3 GLU A 34 0.890 -6.314 20.818 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.793 -5.909 18.208 1.00 10.00 H new ATOM 0 HG3 GLU A 34 2.226 -6.916 18.170 1.00 10.00 H new ATOM 552 N ILE A 35 2.729 -3.263 18.263 1.00 10.00 N ATOM 553 CA ILE A 35 3.524 -2.624 17.221 1.00 10.00 C ATOM 554 C ILE A 35 4.189 -1.387 17.834 1.00 10.00 C ATOM 555 O ILE A 35 3.518 -0.524 18.394 1.00 10.00 O ATOM 556 CB ILE A 35 2.592 -2.281 16.037 1.00 10.00 C ATOM 557 CG1 ILE A 35 2.189 -3.591 15.323 1.00 10.00 C ATOM 558 CG2 ILE A 35 3.226 -1.296 15.042 1.00 10.00 C ATOM 559 CD1 ILE A 35 1.066 -3.420 14.296 1.00 10.00 C ATOM 0 H ILE A 35 1.825 -2.808 18.390 1.00 10.00 H new ATOM 0 HA ILE A 35 4.310 -3.274 16.837 1.00 10.00 H new ATOM 0 HB ILE A 35 1.711 -1.780 16.438 1.00 10.00 H new ATOM 0 HG12 ILE A 35 3.065 -4.005 14.823 1.00 10.00 H new ATOM 0 HG13 ILE A 35 1.876 -4.319 16.071 1.00 10.00 H new ATOM 0 HG21 ILE A 35 2.524 -1.094 14.233 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.467 -0.365 15.555 1.00 10.00 H new ATOM 0 HG23 ILE A 35 4.138 -1.730 14.631 1.00 10.00 H new ATOM 0 HD11 ILE A 35 0.841 -4.384 13.839 1.00 10.00 H new ATOM 0 HD12 ILE A 35 0.174 -3.037 14.792 1.00 10.00 H new ATOM 0 HD13 ILE A 35 1.382 -2.718 13.525 1.00 10.00 H new ATOM 571 N VAL A 36 5.515 -1.305 17.711 1.00 10.00 N ATOM 572 CA VAL A 36 6.301 -0.111 18.030 1.00 10.00 C ATOM 573 C VAL A 36 6.035 0.960 16.971 1.00 10.00 C ATOM 574 O VAL A 36 5.652 2.072 17.324 1.00 10.00 O ATOM 575 CB VAL A 36 7.803 -0.467 18.106 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.696 0.776 18.186 1.00 10.00 C ATOM 577 CG2 VAL A 36 8.082 -1.358 19.323 1.00 10.00 C ATOM 0 H VAL A 36 6.085 -2.083 17.380 1.00 10.00 H new ATOM 0 HA VAL A 36 6.005 0.280 19.004 1.00 10.00 H new ATOM 0 HB VAL A 36 8.043 -0.999 17.185 1.00 10.00 H new ATOM 0 HG11 VAL A 36 9.741 0.471 18.238 1.00 10.00 H new ATOM 0 HG12 VAL A 36 8.541 1.393 17.301 1.00 10.00 H new ATOM 0 HG13 VAL A 36 8.442 1.350 19.077 1.00 10.00 H new ATOM 0 HG21 VAL A 36 9.144 -1.599 19.361 1.00 10.00 H new ATOM 0 HG22 VAL A 36 7.797 -0.831 20.233 1.00 10.00 H new ATOM 0 HG23 VAL A 36 7.504 -2.278 19.240 1.00 10.00 H new ATOM 587 N ASP A 37 6.205 0.615 15.686 1.00 10.00 N ATOM 588 CA ASP A 37 5.845 1.483 14.554 1.00 10.00 C ATOM 589 C ASP A 37 5.785 0.705 13.218 1.00 10.00 C ATOM 590 O ASP A 37 6.114 -0.484 13.158 1.00 10.00 O ATOM 591 CB ASP A 37 6.826 2.679 14.458 1.00 10.00 C ATOM 592 CG ASP A 37 6.144 3.974 13.992 1.00 10.00 C ATOM 593 OD1 ASP A 37 5.126 3.865 13.270 1.00 10.00 O ATOM 594 OD2 ASP A 37 6.651 5.056 14.361 1.00 10.00 O ATOM 0 H ASP A 37 6.599 -0.281 15.401 1.00 10.00 H new ATOM 0 HA ASP A 37 4.842 1.867 14.741 1.00 10.00 H new ATOM 0 HB2 ASP A 37 7.284 2.846 15.433 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.630 2.428 13.766 1.00 10.00 H new ATOM 599 N ILE A 38 5.406 1.395 12.137 1.00 10.00 N ATOM 600 CA ILE A 38 5.400 0.886 10.760 1.00 10.00 C ATOM 601 C ILE A 38 6.021 1.903 9.794 1.00 10.00 C ATOM 602 O ILE A 38 5.623 3.064 9.754 1.00 10.00 O ATOM 603 CB ILE A 38 3.975 0.496 10.281 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.891 1.573 10.548 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.576 -0.856 10.886 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.494 1.218 10.019 1.00 10.00 C ATOM 0 H ILE A 38 5.083 2.360 12.199 1.00 10.00 H new ATOM 0 HA ILE A 38 6.007 -0.019 10.760 1.00 10.00 H new ATOM 0 HB ILE A 38 4.026 0.417 9.195 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.825 1.745 11.622 1.00 10.00 H new ATOM 0 HG13 ILE A 38 3.210 2.511 10.094 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.576 -1.125 10.547 1.00 10.00 H new ATOM 0 HG22 ILE A 38 4.285 -1.620 10.568 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.584 -0.784 11.974 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.801 2.027 10.250 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.539 1.076 8.939 1.00 10.00 H new ATOM 0 HD13 ILE A 38 1.149 0.298 10.492 1.00 10.00 H new ATOM 618 N ASP A 39 6.969 1.444 8.973 1.00 10.00 N ATOM 619 CA ASP A 39 7.474 2.215 7.835 1.00 10.00 C ATOM 620 C ASP A 39 6.738 1.742 6.587 1.00 10.00 C ATOM 621 O ASP A 39 6.837 0.569 6.235 1.00 10.00 O ATOM 622 CB ASP A 39 8.988 2.026 7.629 1.00 10.00 C ATOM 623 CG ASP A 39 9.879 2.858 8.548 1.00 10.00 C ATOM 624 OD1 ASP A 39 9.474 3.984 8.902 1.00 10.00 O ATOM 625 OD2 ASP A 39 10.999 2.372 8.839 1.00 10.00 O ATOM 0 H ASP A 39 7.407 0.529 9.078 1.00 10.00 H new ATOM 0 HA ASP A 39 7.302 3.274 8.029 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.229 0.973 7.772 1.00 10.00 H new ATOM 0 HB3 ASP A 39 9.231 2.271 6.595 1.00 10.00 H new ATOM 630 N ILE A 40 6.014 2.636 5.906 1.00 10.00 N ATOM 631 CA ILE A 40 5.398 2.348 4.609 1.00 10.00 C ATOM 632 C ILE A 40 5.739 3.481 3.643 1.00 10.00 C ATOM 633 O ILE A 40 5.400 4.640 3.878 1.00 10.00 O ATOM 634 CB ILE A 40 3.879 2.088 4.732 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.626 0.760 5.481 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.250 1.991 3.325 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.194 0.548 5.959 1.00 10.00 C ATOM 0 H ILE A 40 5.839 3.583 6.241 1.00 10.00 H new ATOM 0 HA ILE A 40 5.806 1.420 4.208 1.00 10.00 H new ATOM 0 HB ILE A 40 3.429 2.912 5.285 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.899 -0.067 4.825 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.291 0.716 6.344 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.179 1.808 3.417 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.413 2.925 2.788 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.713 1.171 2.775 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.120 -0.411 6.472 1.00 10.00 H new ATOM 0 HD12 ILE A 40 1.917 1.349 6.645 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.520 0.554 5.103 1.00 10.00 H new ATOM 649 N THR A 41 6.394 3.111 2.543 1.00 10.00 N ATOM 650 CA THR A 41 6.831 4.014 1.482 1.00 10.00 C ATOM 651 C THR A 41 6.162 3.587 0.182 1.00 10.00 C ATOM 652 O THR A 41 6.392 2.476 -0.301 1.00 10.00 O ATOM 653 CB THR A 41 8.363 3.986 1.355 1.00 10.00 C ATOM 654 OG1 THR A 41 8.943 4.463 2.546 1.00 10.00 O ATOM 655 CG2 THR A 41 8.880 4.878 0.225 1.00 10.00 C ATOM 0 H THR A 41 6.643 2.139 2.361 1.00 10.00 H new ATOM 0 HA THR A 41 6.543 5.039 1.716 1.00 10.00 H new ATOM 0 HB THR A 41 8.634 2.951 1.146 1.00 10.00 H new ATOM 0 HG1 THR A 41 9.919 4.443 2.465 1.00 10.00 H new ATOM 0 HG21 THR A 41 9.968 4.818 0.183 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.461 4.543 -0.724 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.580 5.910 0.410 1.00 10.00 H new ATOM 663 N VAL A 42 5.345 4.482 -0.381 1.00 10.00 N ATOM 664 CA VAL A 42 4.737 4.332 -1.706 1.00 10.00 C ATOM 665 C VAL A 42 5.271 5.432 -2.621 1.00 10.00 C ATOM 666 O VAL A 42 5.085 6.615 -2.340 1.00 10.00 O ATOM 667 CB VAL A 42 3.198 4.355 -1.632 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.609 4.135 -3.032 1.00 10.00 C ATOM 669 CG2 VAL A 42 2.652 3.260 -0.704 1.00 10.00 C ATOM 0 H VAL A 42 5.082 5.351 0.083 1.00 10.00 H new ATOM 0 HA VAL A 42 5.009 3.359 -2.116 1.00 10.00 H new ATOM 0 HB VAL A 42 2.908 5.328 -1.235 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.521 4.152 -2.976 1.00 10.00 H new ATOM 0 HG12 VAL A 42 2.950 4.927 -3.699 1.00 10.00 H new ATOM 0 HG13 VAL A 42 2.937 3.170 -3.417 1.00 10.00 H new ATOM 0 HG21 VAL A 42 1.563 3.312 -0.681 1.00 10.00 H new ATOM 0 HG22 VAL A 42 2.961 2.282 -1.074 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.044 3.407 0.302 1.00 10.00 H new ATOM 679 N LEU A 43 5.922 5.036 -3.715 1.00 10.00 N ATOM 680 CA LEU A 43 6.437 5.911 -4.769 1.00 10.00 C ATOM 681 C LEU A 43 5.734 5.574 -6.088 1.00 10.00 C ATOM 682 O LEU A 43 5.503 4.406 -6.385 1.00 10.00 O ATOM 683 CB LEU A 43 7.971 5.770 -4.876 1.00 10.00 C ATOM 684 CG LEU A 43 8.755 6.996 -4.372 1.00 10.00 C ATOM 685 CD1 LEU A 43 8.570 7.246 -2.873 1.00 10.00 C ATOM 686 CD2 LEU A 43 10.249 6.796 -4.642 1.00 10.00 C ATOM 0 H LEU A 43 6.114 4.051 -3.899 1.00 10.00 H new ATOM 0 HA LEU A 43 6.228 6.953 -4.528 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.284 4.894 -4.308 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.236 5.586 -5.917 1.00 10.00 H new ATOM 0 HG LEU A 43 8.364 7.860 -4.910 1.00 10.00 H new ATOM 0 HD11 LEU A 43 9.146 8.122 -2.576 1.00 10.00 H new ATOM 0 HD12 LEU A 43 7.515 7.417 -2.660 1.00 10.00 H new ATOM 0 HD13 LEU A 43 8.917 6.377 -2.314 1.00 10.00 H new ATOM 0 HD21 LEU A 43 10.803 7.664 -4.285 1.00 10.00 H new ATOM 0 HD22 LEU A 43 10.597 5.904 -4.121 1.00 10.00 H new ATOM 0 HD23 LEU A 43 10.412 6.677 -5.713 1.00 10.00 H new ATOM 698 N VAL A 44 5.373 6.581 -6.884 1.00 10.00 N ATOM 699 CA VAL A 44 4.769 6.381 -8.208 1.00 10.00 C ATOM 700 C VAL A 44 5.404 7.353 -9.202 1.00 10.00 C ATOM 701 O VAL A 44 5.651 8.514 -8.878 1.00 10.00 O ATOM 702 CB VAL A 44 3.229 6.463 -8.126 1.00 10.00 C ATOM 703 CG1 VAL A 44 2.714 7.816 -7.626 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.586 6.128 -9.478 1.00 10.00 C ATOM 0 H VAL A 44 5.490 7.562 -6.631 1.00 10.00 H new ATOM 0 HA VAL A 44 4.976 5.377 -8.578 1.00 10.00 H new ATOM 0 HB VAL A 44 2.935 5.718 -7.386 1.00 10.00 H new ATOM 0 HG11 VAL A 44 1.625 7.801 -7.594 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.104 8.007 -6.626 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.046 8.604 -8.302 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.501 6.193 -9.391 1.00 10.00 H new ATOM 0 HG22 VAL A 44 2.933 6.835 -10.231 1.00 10.00 H new ATOM 0 HG23 VAL A 44 2.866 5.117 -9.773 1.00 10.00 H new ATOM 714 N GLU A 45 5.709 6.856 -10.402 1.00 10.00 N ATOM 715 CA GLU A 45 6.535 7.540 -11.396 1.00 10.00 C ATOM 716 C GLU A 45 6.097 7.126 -12.811 1.00 10.00 C ATOM 717 O GLU A 45 5.603 6.016 -13.016 1.00 10.00 O ATOM 718 CB GLU A 45 7.989 7.115 -11.115 1.00 10.00 C ATOM 719 CG GLU A 45 9.082 7.837 -11.912 1.00 10.00 C ATOM 720 CD GLU A 45 10.381 7.018 -11.916 1.00 10.00 C ATOM 721 OE1 GLU A 45 10.766 6.504 -10.837 1.00 10.00 O ATOM 722 OE2 GLU A 45 10.940 6.838 -13.024 1.00 10.00 O ATOM 0 H GLU A 45 5.380 5.943 -10.717 1.00 10.00 H new ATOM 0 HA GLU A 45 6.434 8.624 -11.334 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.188 7.262 -10.053 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.075 6.046 -11.310 1.00 10.00 H new ATOM 0 HG2 GLU A 45 8.745 7.999 -12.936 1.00 10.00 H new ATOM 0 HG3 GLU A 45 9.267 8.819 -11.478 1.00 10.00 H new ATOM 729 N TYR A 46 6.292 7.997 -13.806 1.00 10.00 N ATOM 730 CA TYR A 46 5.944 7.684 -15.191 1.00 10.00 C ATOM 731 C TYR A 46 7.077 8.231 -16.068 1.00 10.00 C ATOM 732 O TYR A 46 7.187 9.435 -16.296 1.00 10.00 O ATOM 733 CB TYR A 46 4.548 8.257 -15.505 1.00 10.00 C ATOM 734 CG TYR A 46 3.792 7.657 -16.687 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.438 7.074 -17.799 1.00 10.00 C ATOM 736 CD2 TYR A 46 2.386 7.593 -16.597 1.00 10.00 C ATOM 737 CE1 TYR A 46 3.692 6.366 -18.762 1.00 10.00 C ATOM 738 CE2 TYR A 46 1.636 6.892 -17.559 1.00 10.00 C ATOM 739 CZ TYR A 46 2.293 6.234 -18.618 1.00 10.00 C ATOM 740 OH TYR A 46 1.579 5.436 -19.459 1.00 10.00 O ATOM 0 H TYR A 46 6.690 8.927 -13.675 1.00 10.00 H new ATOM 0 HA TYR A 46 5.863 6.615 -15.386 1.00 10.00 H new ATOM 0 HB2 TYR A 46 3.929 8.142 -14.615 1.00 10.00 H new ATOM 0 HB3 TYR A 46 4.655 9.327 -15.682 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.508 7.171 -17.912 1.00 10.00 H new ATOM 0 HD2 TYR A 46 1.880 8.087 -15.781 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.191 5.923 -19.612 1.00 10.00 H new ATOM 0 HE2 TYR A 46 0.559 6.858 -17.486 1.00 10.00 H new ATOM 0 HH TYR A 46 0.631 5.465 -19.211 1.00 10.00 H new ATOM 750 N THR A 47 7.953 7.327 -16.507 1.00 10.00 N ATOM 751 CA THR A 47 9.232 7.608 -17.170 1.00 10.00 C ATOM 752 C THR A 47 9.296 6.750 -18.429 1.00 10.00 C ATOM 753 O THR A 47 9.822 5.640 -18.432 1.00 10.00 O ATOM 754 CB THR A 47 10.431 7.402 -16.214 1.00 10.00 C ATOM 755 OG1 THR A 47 10.192 6.360 -15.284 1.00 10.00 O ATOM 756 CG2 THR A 47 10.710 8.700 -15.452 1.00 10.00 C ATOM 0 H THR A 47 7.783 6.326 -16.406 1.00 10.00 H new ATOM 0 HA THR A 47 9.296 8.657 -17.458 1.00 10.00 H new ATOM 0 HB THR A 47 11.293 7.124 -16.821 1.00 10.00 H new ATOM 0 HG1 THR A 47 10.105 6.738 -14.384 1.00 10.00 H new ATOM 0 HG21 THR A 47 11.555 8.553 -14.779 1.00 10.00 H new ATOM 0 HG22 THR A 47 10.945 9.495 -16.160 1.00 10.00 H new ATOM 0 HG23 THR A 47 9.829 8.978 -14.873 1.00 10.00 H new ATOM 764 N ASP A 48 8.637 7.252 -19.483 1.00 10.00 N ATOM 765 CA ASP A 48 8.299 6.566 -20.745 1.00 10.00 C ATOM 766 C ASP A 48 7.238 5.460 -20.551 1.00 10.00 C ATOM 767 O ASP A 48 6.325 5.328 -21.362 1.00 10.00 O ATOM 768 CB ASP A 48 9.565 6.084 -21.479 1.00 10.00 C ATOM 769 CG ASP A 48 9.326 5.883 -22.977 1.00 10.00 C ATOM 770 OD1 ASP A 48 8.962 6.886 -23.631 1.00 10.00 O ATOM 771 OD2 ASP A 48 9.549 4.748 -23.456 1.00 10.00 O ATOM 0 H ASP A 48 8.301 8.215 -19.479 1.00 10.00 H new ATOM 0 HA ASP A 48 7.826 7.298 -21.400 1.00 10.00 H new ATOM 0 HB2 ASP A 48 10.365 6.811 -21.335 1.00 10.00 H new ATOM 0 HB3 ASP A 48 9.903 5.146 -21.038 1.00 10.00 H new ATOM 776 N GLU A 49 7.271 4.768 -19.407 1.00 10.00 N ATOM 777 CA GLU A 49 6.244 3.842 -18.925 1.00 10.00 C ATOM 778 C GLU A 49 5.938 4.112 -17.436 1.00 10.00 C ATOM 779 O GLU A 49 6.732 4.731 -16.721 1.00 10.00 O ATOM 780 CB GLU A 49 6.680 2.391 -19.213 1.00 10.00 C ATOM 781 CG GLU A 49 5.632 1.306 -18.899 1.00 10.00 C ATOM 782 CD GLU A 49 4.273 1.549 -19.580 1.00 10.00 C ATOM 783 OE1 GLU A 49 3.525 2.427 -19.081 1.00 10.00 O ATOM 784 OE2 GLU A 49 3.991 0.866 -20.587 1.00 10.00 O ATOM 0 H GLU A 49 8.056 4.844 -18.760 1.00 10.00 H new ATOM 0 HA GLU A 49 5.308 4.001 -19.460 1.00 10.00 H new ATOM 0 HB2 GLU A 49 6.952 2.314 -20.266 1.00 10.00 H new ATOM 0 HB3 GLU A 49 7.580 2.180 -18.635 1.00 10.00 H new ATOM 0 HG2 GLU A 49 6.019 0.337 -19.214 1.00 10.00 H new ATOM 0 HG3 GLU A 49 5.485 1.256 -17.820 1.00 10.00 H new ATOM 791 N LEU A 50 4.770 3.658 -16.971 1.00 10.00 N ATOM 792 CA LEU A 50 4.262 3.860 -15.617 1.00 10.00 C ATOM 793 C LEU A 50 4.830 2.777 -14.694 1.00 10.00 C ATOM 794 O LEU A 50 4.702 1.581 -14.963 1.00 10.00 O ATOM 795 CB LEU A 50 2.723 3.750 -15.669 1.00 10.00 C ATOM 796 CG LEU A 50 2.004 3.681 -14.303 1.00 10.00 C ATOM 797 CD1 LEU A 50 2.211 4.932 -13.446 1.00 10.00 C ATOM 798 CD2 LEU A 50 0.500 3.493 -14.519 1.00 10.00 C ATOM 0 H LEU A 50 4.130 3.119 -17.553 1.00 10.00 H new ATOM 0 HA LEU A 50 4.559 4.837 -15.235 1.00 10.00 H new ATOM 0 HB2 LEU A 50 2.335 4.608 -16.219 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.461 2.860 -16.241 1.00 10.00 H new ATOM 0 HG LEU A 50 2.441 2.836 -13.771 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.680 4.818 -12.501 1.00 10.00 H new ATOM 0 HD12 LEU A 50 3.275 5.067 -13.250 1.00 10.00 H new ATOM 0 HD13 LEU A 50 1.826 5.804 -13.975 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -0.003 3.445 -13.553 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.107 4.333 -15.091 1.00 10.00 H new ATOM 0 HD23 LEU A 50 0.324 2.567 -15.066 1.00 10.00 H new ATOM 810 N LYS A 51 5.403 3.208 -13.566 1.00 10.00 N ATOM 811 CA LYS A 51 5.889 2.326 -12.503 1.00 10.00 C ATOM 812 C LYS A 51 5.485 2.842 -11.120 1.00 10.00 C ATOM 813 O LYS A 51 5.395 4.044 -10.868 1.00 10.00 O ATOM 814 CB LYS A 51 7.409 2.107 -12.632 1.00 10.00 C ATOM 815 CG LYS A 51 8.216 3.404 -12.839 1.00 10.00 C ATOM 816 CD LYS A 51 9.522 3.450 -12.040 1.00 10.00 C ATOM 817 CE LYS A 51 9.206 3.538 -10.542 1.00 10.00 C ATOM 818 NZ LYS A 51 10.331 4.090 -9.762 1.00 10.00 N ATOM 0 H LYS A 51 5.544 4.198 -13.363 1.00 10.00 H new ATOM 0 HA LYS A 51 5.412 1.352 -12.618 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.771 1.606 -11.734 1.00 10.00 H new ATOM 0 HB3 LYS A 51 7.599 1.436 -13.470 1.00 10.00 H new ATOM 0 HG2 LYS A 51 8.445 3.514 -13.899 1.00 10.00 H new ATOM 0 HG3 LYS A 51 7.597 4.256 -12.556 1.00 10.00 H new ATOM 0 HD2 LYS A 51 10.117 2.560 -12.245 1.00 10.00 H new ATOM 0 HD3 LYS A 51 10.118 4.309 -12.347 1.00 10.00 H new ATOM 0 HE2 LYS A 51 8.325 4.162 -10.395 1.00 10.00 H new ATOM 0 HE3 LYS A 51 8.959 2.545 -10.166 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 10.035 4.225 -8.774 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 11.134 3.430 -9.796 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 10.617 5.005 -10.166 1.00 10.00 H new ATOM 832 N VAL A 52 5.254 1.898 -10.212 1.00 10.00 N ATOM 833 CA VAL A 52 4.861 2.141 -8.825 1.00 10.00 C ATOM 834 C VAL A 52 5.674 1.214 -7.926 1.00 10.00 C ATOM 835 O VAL A 52 5.799 0.021 -8.198 1.00 10.00 O ATOM 836 CB VAL A 52 3.329 2.010 -8.654 1.00 10.00 C ATOM 837 CG1 VAL A 52 2.747 0.709 -9.225 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.882 2.166 -7.194 1.00 10.00 C ATOM 0 H VAL A 52 5.338 0.905 -10.429 1.00 10.00 H new ATOM 0 HA VAL A 52 5.086 3.165 -8.528 1.00 10.00 H new ATOM 0 HB VAL A 52 2.929 2.837 -9.240 1.00 10.00 H new ATOM 0 HG11 VAL A 52 1.669 0.692 -9.066 1.00 10.00 H new ATOM 0 HG12 VAL A 52 2.957 0.654 -10.293 1.00 10.00 H new ATOM 0 HG13 VAL A 52 3.201 -0.144 -8.722 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.798 2.065 -7.132 1.00 10.00 H new ATOM 0 HG22 VAL A 52 3.353 1.395 -6.585 1.00 10.00 H new ATOM 0 HG23 VAL A 52 3.176 3.149 -6.826 1.00 10.00 H new ATOM 848 N ASP A 53 6.224 1.788 -6.860 1.00 10.00 N ATOM 849 CA ASP A 53 7.132 1.154 -5.920 1.00 10.00 C ATOM 850 C ASP A 53 6.452 1.164 -4.546 1.00 10.00 C ATOM 851 O ASP A 53 5.997 2.214 -4.083 1.00 10.00 O ATOM 852 CB ASP A 53 8.468 1.925 -5.853 1.00 10.00 C ATOM 853 CG ASP A 53 9.049 2.375 -7.201 1.00 10.00 C ATOM 854 OD1 ASP A 53 9.183 1.541 -8.122 1.00 10.00 O ATOM 855 OD2 ASP A 53 9.403 3.573 -7.317 1.00 10.00 O ATOM 0 H ASP A 53 6.035 2.761 -6.619 1.00 10.00 H new ATOM 0 HA ASP A 53 7.352 0.134 -6.236 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.326 2.806 -5.228 1.00 10.00 H new ATOM 0 HB3 ASP A 53 9.204 1.295 -5.354 1.00 10.00 H new ATOM 860 N ILE A 54 6.395 0.007 -3.883 1.00 10.00 N ATOM 861 CA ILE A 54 5.810 -0.132 -2.548 1.00 10.00 C ATOM 862 C ILE A 54 6.808 -0.879 -1.666 1.00 10.00 C ATOM 863 O ILE A 54 7.310 -1.944 -2.029 1.00 10.00 O ATOM 864 CB ILE A 54 4.447 -0.865 -2.594 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.430 -0.178 -3.534 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.853 -0.961 -1.179 1.00 10.00 C ATOM 867 CD1 ILE A 54 2.028 -0.807 -3.499 1.00 10.00 C ATOM 0 H ILE A 54 6.757 -0.868 -4.262 1.00 10.00 H new ATOM 0 HA ILE A 54 5.613 0.857 -2.133 1.00 10.00 H new ATOM 0 HB ILE A 54 4.638 -1.862 -2.992 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.352 0.875 -3.262 1.00 10.00 H new ATOM 0 HG13 ILE A 54 3.810 -0.217 -4.555 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.894 -1.478 -1.221 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.536 -1.515 -0.535 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.707 0.042 -0.777 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.371 -0.271 -4.184 1.00 10.00 H new ATOM 0 HD12 ILE A 54 2.091 -1.853 -3.800 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.626 -0.744 -2.488 1.00 10.00 H new ATOM 879 N SER A 55 7.131 -0.306 -0.508 1.00 10.00 N ATOM 880 CA SER A 55 7.878 -0.983 0.553 1.00 10.00 C ATOM 881 C SER A 55 7.181 -0.778 1.894 1.00 10.00 C ATOM 882 O SER A 55 6.794 0.346 2.213 1.00 10.00 O ATOM 883 CB SER A 55 9.322 -0.484 0.566 1.00 10.00 C ATOM 884 OG SER A 55 9.940 -0.911 -0.631 1.00 10.00 O ATOM 0 H SER A 55 6.878 0.655 -0.276 1.00 10.00 H new ATOM 0 HA SER A 55 7.904 -2.056 0.364 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.349 0.603 0.643 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.854 -0.878 1.432 1.00 10.00 H new ATOM 0 HG SER A 55 10.870 -0.601 -0.648 1.00 10.00 H new ATOM 890 N ALA A 56 7.029 -1.853 2.673 1.00 10.00 N ATOM 891 CA ALA A 56 6.482 -1.811 4.025 1.00 10.00 C ATOM 892 C ALA A 56 7.379 -2.585 5.001 1.00 10.00 C ATOM 893 O ALA A 56 7.943 -3.617 4.639 1.00 10.00 O ATOM 894 CB ALA A 56 5.050 -2.359 4.013 1.00 10.00 C ATOM 0 H ALA A 56 7.289 -2.793 2.373 1.00 10.00 H new ATOM 0 HA ALA A 56 6.453 -0.778 4.371 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.640 -2.328 5.023 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.433 -1.750 3.352 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.057 -3.389 3.656 1.00 10.00 H new ATOM 900 N GLU A 57 7.458 -2.107 6.244 1.00 10.00 N ATOM 901 CA GLU A 57 8.159 -2.747 7.357 1.00 10.00 C ATOM 902 C GLU A 57 7.351 -2.589 8.654 1.00 10.00 C ATOM 903 O GLU A 57 6.657 -1.587 8.853 1.00 10.00 O ATOM 904 CB GLU A 57 9.583 -2.167 7.513 1.00 10.00 C ATOM 905 CG GLU A 57 10.686 -3.232 7.391 1.00 10.00 C ATOM 906 CD GLU A 57 10.704 -4.227 8.563 1.00 10.00 C ATOM 907 OE1 GLU A 57 9.690 -4.946 8.725 1.00 10.00 O ATOM 908 OE2 GLU A 57 11.729 -4.263 9.280 1.00 10.00 O ATOM 0 H GLU A 57 7.017 -1.227 6.513 1.00 10.00 H new ATOM 0 HA GLU A 57 8.256 -3.811 7.143 1.00 10.00 H new ATOM 0 HB2 GLU A 57 9.741 -1.400 6.755 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.665 -1.677 8.483 1.00 10.00 H new ATOM 0 HG2 GLU A 57 10.549 -3.781 6.459 1.00 10.00 H new ATOM 0 HG3 GLU A 57 11.655 -2.736 7.330 1.00 10.00 H new ATOM 915 N LEU A 58 7.449 -3.596 9.527 1.00 10.00 N ATOM 916 CA LEU A 58 6.613 -3.776 10.711 1.00 10.00 C ATOM 917 C LEU A 58 7.484 -3.979 11.953 1.00 10.00 C ATOM 918 O LEU A 58 8.007 -5.069 12.187 1.00 10.00 O ATOM 919 CB LEU A 58 5.673 -4.966 10.438 1.00 10.00 C ATOM 920 CG LEU A 58 4.725 -5.352 11.588 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.750 -4.227 11.927 1.00 10.00 C ATOM 922 CD2 LEU A 58 3.913 -6.596 11.213 1.00 10.00 C ATOM 0 H LEU A 58 8.142 -4.337 9.421 1.00 10.00 H new ATOM 0 HA LEU A 58 6.011 -2.890 10.911 1.00 10.00 H new ATOM 0 HB2 LEU A 58 5.071 -4.734 9.559 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.282 -5.835 10.188 1.00 10.00 H new ATOM 0 HG LEU A 58 5.350 -5.551 12.459 1.00 10.00 H new ATOM 0 HD11 LEU A 58 3.100 -4.542 12.743 1.00 10.00 H new ATOM 0 HD12 LEU A 58 4.308 -3.341 12.229 1.00 10.00 H new ATOM 0 HD13 LEU A 58 3.145 -3.994 11.051 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.247 -6.857 12.035 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.323 -6.390 10.320 1.00 10.00 H new ATOM 0 HD23 LEU A 58 4.590 -7.427 11.017 1.00 10.00 H new ATOM 934 N TYR A 59 7.595 -2.942 12.786 1.00 10.00 N ATOM 935 CA TYR A 59 8.419 -2.991 13.987 1.00 10.00 C ATOM 936 C TYR A 59 7.541 -3.398 15.170 1.00 10.00 C ATOM 937 O TYR A 59 6.753 -2.600 15.676 1.00 10.00 O ATOM 938 CB TYR A 59 9.128 -1.645 14.190 1.00 10.00 C ATOM 939 CG TYR A 59 9.862 -1.143 12.956 1.00 10.00 C ATOM 940 CD1 TYR A 59 10.841 -1.942 12.327 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.535 0.113 12.411 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.499 -1.478 11.172 1.00 10.00 C ATOM 943 CE2 TYR A 59 10.206 0.589 11.274 1.00 10.00 C ATOM 944 CZ TYR A 59 11.193 -0.204 10.648 1.00 10.00 C ATOM 945 OH TYR A 59 11.850 0.248 9.546 1.00 10.00 O ATOM 0 H TYR A 59 7.118 -2.052 12.645 1.00 10.00 H new ATOM 0 HA TYR A 59 9.206 -3.739 13.892 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.392 -0.900 14.491 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.839 -1.740 15.010 1.00 10.00 H new ATOM 0 HD1 TYR A 59 11.086 -2.912 12.733 1.00 10.00 H new ATOM 0 HD2 TYR A 59 8.764 0.713 12.870 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.239 -2.098 10.687 1.00 10.00 H new ATOM 0 HE2 TYR A 59 9.967 1.564 10.877 1.00 10.00 H new ATOM 0 HH TYR A 59 11.692 1.210 9.443 1.00 10.00 H new ATOM 955 N LEU A 60 7.659 -4.664 15.574 1.00 10.00 N ATOM 956 CA LEU A 60 6.933 -5.266 16.692 1.00 10.00 C ATOM 957 C LEU A 60 7.656 -5.073 18.027 1.00 10.00 C ATOM 958 O LEU A 60 8.879 -4.945 18.077 1.00 10.00 O ATOM 959 CB LEU A 60 6.710 -6.768 16.429 1.00 10.00 C ATOM 960 CG LEU A 60 5.663 -7.030 15.336 1.00 10.00 C ATOM 961 CD1 LEU A 60 5.666 -8.504 14.925 1.00 10.00 C ATOM 962 CD2 LEU A 60 4.251 -6.673 15.810 1.00 10.00 C ATOM 0 H LEU A 60 8.287 -5.323 15.113 1.00 10.00 H new ATOM 0 HA LEU A 60 5.972 -4.757 16.765 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.655 -7.226 16.138 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.393 -7.251 17.353 1.00 10.00 H new ATOM 0 HG LEU A 60 5.931 -6.400 14.488 1.00 10.00 H new ATOM 0 HD11 LEU A 60 4.917 -8.667 14.150 1.00 10.00 H new ATOM 0 HD12 LEU A 60 6.650 -8.773 14.541 1.00 10.00 H new ATOM 0 HD13 LEU A 60 5.433 -9.124 15.791 1.00 10.00 H new ATOM 0 HD21 LEU A 60 3.538 -6.872 15.010 1.00 10.00 H new ATOM 0 HD22 LEU A 60 3.996 -7.276 16.681 1.00 10.00 H new ATOM 0 HD23 LEU A 60 4.213 -5.617 16.076 1.00 10.00 H new ATOM 974 N ASP A 61 6.872 -5.045 19.106 1.00 10.00 N ATOM 975 CA ASP A 61 7.394 -5.097 20.474 1.00 10.00 C ATOM 976 C ASP A 61 8.196 -6.392 20.703 1.00 10.00 C ATOM 977 O ASP A 61 7.851 -7.446 20.164 1.00 10.00 O ATOM 978 CB ASP A 61 6.230 -4.972 21.472 1.00 10.00 C ATOM 979 CG ASP A 61 6.703 -4.937 22.930 1.00 10.00 C ATOM 980 OD1 ASP A 61 7.837 -4.454 23.157 1.00 10.00 O ATOM 981 OD2 ASP A 61 5.928 -5.401 23.795 1.00 10.00 O ATOM 0 H ASP A 61 5.855 -4.986 19.056 1.00 10.00 H new ATOM 0 HA ASP A 61 8.077 -4.262 20.631 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.666 -4.065 21.255 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.548 -5.811 21.335 1.00 10.00 H new ATOM 986 N GLU A 62 9.239 -6.329 21.542 1.00 10.00 N ATOM 987 CA GLU A 62 10.192 -7.419 21.836 1.00 10.00 C ATOM 988 C GLU A 62 9.594 -8.551 22.707 1.00 10.00 C ATOM 989 O GLU A 62 10.255 -9.127 23.571 1.00 10.00 O ATOM 990 CB GLU A 62 11.507 -6.835 22.392 1.00 10.00 C ATOM 991 CG GLU A 62 11.372 -6.026 23.693 1.00 10.00 C ATOM 992 CD GLU A 62 12.744 -5.553 24.192 1.00 10.00 C ATOM 993 OE1 GLU A 62 13.311 -4.639 23.550 1.00 10.00 O ATOM 994 OE2 GLU A 62 13.223 -6.108 25.207 1.00 10.00 O ATOM 0 H GLU A 62 9.455 -5.478 22.061 1.00 10.00 H new ATOM 0 HA GLU A 62 10.424 -7.919 20.896 1.00 10.00 H new ATOM 0 HB2 GLU A 62 12.204 -7.655 22.565 1.00 10.00 H new ATOM 0 HB3 GLU A 62 11.951 -6.194 21.630 1.00 10.00 H new ATOM 0 HG2 GLU A 62 10.726 -5.165 23.524 1.00 10.00 H new ATOM 0 HG3 GLU A 62 10.894 -6.638 24.458 1.00 10.00 H new ATOM 1001 N LEU A 63 8.315 -8.850 22.474 1.00 10.00 N ATOM 1002 CA LEU A 63 7.452 -9.716 23.275 1.00 10.00 C ATOM 1003 C LEU A 63 6.435 -10.462 22.389 1.00 10.00 C ATOM 1004 O LEU A 63 6.188 -11.643 22.627 1.00 10.00 O ATOM 1005 CB LEU A 63 6.783 -8.809 24.332 1.00 10.00 C ATOM 1006 CG LEU A 63 6.178 -9.515 25.561 1.00 10.00 C ATOM 1007 CD1 LEU A 63 5.991 -8.489 26.685 1.00 10.00 C ATOM 1008 CD2 LEU A 63 4.809 -10.153 25.298 1.00 10.00 C ATOM 0 H LEU A 63 7.823 -8.467 21.667 1.00 10.00 H new ATOM 0 HA LEU A 63 8.020 -10.503 23.771 1.00 10.00 H new ATOM 0 HB2 LEU A 63 7.523 -8.090 24.682 1.00 10.00 H new ATOM 0 HB3 LEU A 63 5.993 -8.240 23.842 1.00 10.00 H new ATOM 0 HG LEU A 63 6.874 -10.311 25.825 1.00 10.00 H new ATOM 0 HD11 LEU A 63 5.563 -8.980 27.559 1.00 10.00 H new ATOM 0 HD12 LEU A 63 6.957 -8.057 26.948 1.00 10.00 H new ATOM 0 HD13 LEU A 63 5.320 -7.699 26.348 1.00 10.00 H new ATOM 0 HD21 LEU A 63 4.449 -10.630 26.209 1.00 10.00 H new ATOM 0 HD22 LEU A 63 4.102 -9.383 24.988 1.00 10.00 H new ATOM 0 HD23 LEU A 63 4.901 -10.900 24.510 1.00 10.00 H new ATOM 1020 N SER A 64 5.891 -9.812 21.348 1.00 10.00 N ATOM 1021 CA SER A 64 4.987 -10.446 20.376 1.00 10.00 C ATOM 1022 C SER A 64 5.744 -11.118 19.223 1.00 10.00 C ATOM 1023 O SER A 64 6.889 -10.784 18.927 1.00 10.00 O ATOM 1024 CB SER A 64 3.979 -9.425 19.830 1.00 10.00 C ATOM 1025 OG SER A 64 2.868 -9.388 20.705 1.00 10.00 O ATOM 0 H SER A 64 6.067 -8.826 21.156 1.00 10.00 H new ATOM 0 HA SER A 64 4.449 -11.231 20.908 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.438 -8.439 19.757 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.662 -9.704 18.825 1.00 10.00 H new ATOM 0 HG SER A 64 2.149 -8.859 20.299 1.00 10.00 H new ATOM 1031 N ASP A 65 5.072 -12.059 18.550 1.00 10.00 N ATOM 1032 CA ASP A 65 5.632 -12.901 17.494 1.00 10.00 C ATOM 1033 C ASP A 65 4.507 -13.262 16.510 1.00 10.00 C ATOM 1034 O ASP A 65 3.706 -14.164 16.753 1.00 10.00 O ATOM 1035 CB ASP A 65 6.286 -14.142 18.133 1.00 10.00 C ATOM 1036 CG ASP A 65 7.042 -15.012 17.123 1.00 10.00 C ATOM 1037 OD1 ASP A 65 7.636 -14.427 16.190 1.00 10.00 O ATOM 1038 OD2 ASP A 65 7.058 -16.247 17.327 1.00 10.00 O ATOM 0 H ASP A 65 4.089 -12.260 18.734 1.00 10.00 H new ATOM 0 HA ASP A 65 6.409 -12.379 16.935 1.00 10.00 H new ATOM 0 HB2 ASP A 65 6.975 -13.820 18.914 1.00 10.00 H new ATOM 0 HB3 ASP A 65 5.515 -14.743 18.616 1.00 10.00 H new ATOM 1043 N ALA A 66 4.401 -12.472 15.439 1.00 10.00 N ATOM 1044 CA ALA A 66 3.410 -12.630 14.372 1.00 10.00 C ATOM 1045 C ALA A 66 3.846 -13.659 13.305 1.00 10.00 C ATOM 1046 O ALA A 66 4.930 -14.237 13.377 1.00 10.00 O ATOM 1047 CB ALA A 66 3.145 -11.245 13.765 1.00 10.00 C ATOM 0 H ALA A 66 5.023 -11.678 15.286 1.00 10.00 H new ATOM 0 HA ALA A 66 2.488 -13.033 14.791 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.409 -11.333 12.966 1.00 10.00 H new ATOM 0 HB2 ALA A 66 2.764 -10.576 14.537 1.00 10.00 H new ATOM 0 HB3 ALA A 66 4.073 -10.841 13.361 1.00 10.00 H new ATOM 1053 N ASP A 67 3.033 -13.854 12.260 1.00 10.00 N ATOM 1054 CA ASP A 67 3.221 -14.967 11.327 1.00 10.00 C ATOM 1055 C ASP A 67 4.232 -14.625 10.206 1.00 10.00 C ATOM 1056 O ASP A 67 4.256 -13.487 9.720 1.00 10.00 O ATOM 1057 CB ASP A 67 1.863 -15.312 10.693 1.00 10.00 C ATOM 1058 CG ASP A 67 0.785 -15.592 11.744 1.00 10.00 C ATOM 1059 OD1 ASP A 67 0.295 -14.597 12.328 1.00 10.00 O ATOM 1060 OD2 ASP A 67 0.483 -16.787 11.954 1.00 10.00 O ATOM 0 H ASP A 67 2.238 -13.254 12.041 1.00 10.00 H new ATOM 0 HA ASP A 67 3.622 -15.813 11.885 1.00 10.00 H new ATOM 0 HB2 ASP A 67 1.542 -14.487 10.057 1.00 10.00 H new ATOM 0 HB3 ASP A 67 1.976 -16.185 10.050 1.00 10.00 H new ATOM 1065 N PRO A 68 5.064 -15.601 9.769 1.00 10.00 N ATOM 1066 CA PRO A 68 6.220 -15.414 8.878 1.00 10.00 C ATOM 1067 C PRO A 68 5.834 -15.157 7.405 1.00 10.00 C ATOM 1068 O PRO A 68 6.211 -15.892 6.494 1.00 10.00 O ATOM 1069 CB PRO A 68 7.087 -16.665 9.085 1.00 10.00 C ATOM 1070 CG PRO A 68 6.052 -17.746 9.377 1.00 10.00 C ATOM 1071 CD PRO A 68 5.030 -16.989 10.222 1.00 10.00 C ATOM 0 HA PRO A 68 6.771 -14.507 9.128 1.00 10.00 H new ATOM 0 HB2 PRO A 68 7.678 -16.899 8.200 1.00 10.00 H new ATOM 0 HB3 PRO A 68 7.787 -16.541 9.912 1.00 10.00 H new ATOM 0 HG2 PRO A 68 5.611 -18.145 8.464 1.00 10.00 H new ATOM 0 HG3 PRO A 68 6.484 -18.589 9.917 1.00 10.00 H new ATOM 0 HD2 PRO A 68 4.034 -17.413 10.098 1.00 10.00 H new ATOM 0 HD3 PRO A 68 5.276 -17.057 11.282 1.00 10.00 H new ATOM 1079 N GLY A 69 5.057 -14.096 7.192 1.00 10.00 N ATOM 1080 CA GLY A 69 4.535 -13.647 5.898 1.00 10.00 C ATOM 1081 C GLY A 69 3.622 -12.418 5.994 1.00 10.00 C ATOM 1082 O GLY A 69 3.482 -11.691 5.014 1.00 10.00 O ATOM 0 H GLY A 69 4.757 -13.493 7.958 1.00 10.00 H new ATOM 0 HA2 GLY A 69 5.372 -13.416 5.239 1.00 10.00 H new ATOM 0 HA3 GLY A 69 3.982 -14.465 5.436 1.00 10.00 H new ATOM 1086 N ILE A 70 3.072 -12.135 7.184 1.00 10.00 N ATOM 1087 CA ILE A 70 2.009 -11.155 7.443 1.00 10.00 C ATOM 1088 C ILE A 70 2.261 -9.724 6.926 1.00 10.00 C ATOM 1089 O ILE A 70 1.310 -8.987 6.671 1.00 10.00 O ATOM 1090 CB ILE A 70 1.701 -11.213 8.959 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.217 -10.942 9.246 1.00 10.00 C ATOM 1092 CG2 ILE A 70 2.619 -10.300 9.796 1.00 10.00 C ATOM 1093 CD1 ILE A 70 -0.205 -11.512 10.607 1.00 10.00 C ATOM 0 H ILE A 70 3.373 -12.609 8.036 1.00 10.00 H new ATOM 0 HA ILE A 70 1.138 -11.437 6.851 1.00 10.00 H new ATOM 0 HB ILE A 70 1.919 -12.233 9.275 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.032 -9.868 9.227 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -0.394 -11.385 8.459 1.00 10.00 H new ATOM 0 HG21 ILE A 70 2.354 -10.385 10.850 1.00 10.00 H new ATOM 0 HG22 ILE A 70 3.657 -10.603 9.658 1.00 10.00 H new ATOM 0 HG23 ILE A 70 2.496 -9.266 9.473 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -1.261 -11.302 10.778 1.00 10.00 H new ATOM 0 HD12 ILE A 70 -0.043 -12.590 10.616 1.00 10.00 H new ATOM 0 HD13 ILE A 70 0.389 -11.049 11.395 1.00 10.00 H new ATOM 1105 N VAL A 71 3.531 -9.336 6.754 1.00 10.00 N ATOM 1106 CA VAL A 71 3.949 -8.063 6.152 1.00 10.00 C ATOM 1107 C VAL A 71 3.862 -8.130 4.629 1.00 10.00 C ATOM 1108 O VAL A 71 3.161 -7.327 4.023 1.00 10.00 O ATOM 1109 CB VAL A 71 5.401 -7.740 6.543 1.00 10.00 C ATOM 1110 CG1 VAL A 71 5.894 -6.431 5.911 1.00 10.00 C ATOM 1111 CG2 VAL A 71 5.568 -7.650 8.061 1.00 10.00 C ATOM 0 H VAL A 71 4.320 -9.917 7.038 1.00 10.00 H new ATOM 0 HA VAL A 71 3.280 -7.286 6.522 1.00 10.00 H new ATOM 0 HB VAL A 71 6.004 -8.563 6.160 1.00 10.00 H new ATOM 0 HG11 VAL A 71 6.924 -6.245 6.216 1.00 10.00 H new ATOM 0 HG12 VAL A 71 5.846 -6.511 4.825 1.00 10.00 H new ATOM 0 HG13 VAL A 71 5.263 -5.607 6.243 1.00 10.00 H new ATOM 0 HG21 VAL A 71 6.606 -7.420 8.300 1.00 10.00 H new ATOM 0 HG22 VAL A 71 4.923 -6.863 8.452 1.00 10.00 H new ATOM 0 HG23 VAL A 71 5.293 -8.602 8.514 1.00 10.00 H new ATOM 1121 N ASP A 72 4.555 -9.094 4.013 1.00 10.00 N ATOM 1122 CA ASP A 72 4.532 -9.346 2.569 1.00 10.00 C ATOM 1123 C ASP A 72 3.102 -9.578 2.061 1.00 10.00 C ATOM 1124 O ASP A 72 2.725 -9.048 1.019 1.00 10.00 O ATOM 1125 CB ASP A 72 5.447 -10.538 2.254 1.00 10.00 C ATOM 1126 CG ASP A 72 5.678 -10.698 0.750 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.210 -9.734 0.153 1.00 10.00 O ATOM 1128 OD2 ASP A 72 5.348 -11.785 0.228 1.00 10.00 O ATOM 0 H ASP A 72 5.163 -9.737 4.519 1.00 10.00 H new ATOM 0 HA ASP A 72 4.905 -8.465 2.046 1.00 10.00 H new ATOM 0 HB2 ASP A 72 6.405 -10.403 2.756 1.00 10.00 H new ATOM 0 HB3 ASP A 72 5.004 -11.451 2.652 1.00 10.00 H new ATOM 1133 N GLU A 73 2.264 -10.240 2.869 1.00 10.00 N ATOM 1134 CA GLU A 73 0.834 -10.401 2.603 1.00 10.00 C ATOM 1135 C GLU A 73 0.090 -9.056 2.602 1.00 10.00 C ATOM 1136 O GLU A 73 -0.852 -8.894 1.825 1.00 10.00 O ATOM 1137 CB GLU A 73 0.206 -11.300 3.678 1.00 10.00 C ATOM 1138 CG GLU A 73 0.630 -12.773 3.613 1.00 10.00 C ATOM 1139 CD GLU A 73 0.186 -13.512 4.882 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -1.034 -13.490 5.167 1.00 10.00 O ATOM 1141 OE2 GLU A 73 1.072 -14.070 5.570 1.00 10.00 O ATOM 0 H GLU A 73 2.567 -10.683 3.736 1.00 10.00 H new ATOM 0 HA GLU A 73 0.740 -10.850 1.614 1.00 10.00 H new ATOM 0 HB2 GLU A 73 0.466 -10.905 4.660 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -0.879 -11.245 3.590 1.00 10.00 H new ATOM 0 HG2 GLU A 73 0.190 -13.247 2.735 1.00 10.00 H new ATOM 0 HG3 GLU A 73 1.712 -12.842 3.504 1.00 10.00 H new ATOM 1148 N ALA A 74 0.517 -8.067 3.405 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.072 -6.727 3.351 1.00 10.00 C ATOM 1150 C ALA A 74 0.286 -6.018 2.039 1.00 10.00 C ATOM 1151 O ALA A 74 -0.562 -5.361 1.431 1.00 10.00 O ATOM 1152 CB ALA A 74 0.407 -5.891 4.545 1.00 10.00 C ATOM 0 H ALA A 74 1.263 -8.173 4.093 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.156 -6.833 3.397 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.037 -4.897 4.495 1.00 10.00 H new ATOM 0 HB2 ALA A 74 0.106 -6.376 5.473 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.493 -5.805 4.517 1.00 10.00 H new ATOM 1158 N VAL A 75 1.539 -6.168 1.589 1.00 10.00 N ATOM 1159 CA VAL A 75 2.007 -5.566 0.337 1.00 10.00 C ATOM 1160 C VAL A 75 1.358 -6.255 -0.870 1.00 10.00 C ATOM 1161 O VAL A 75 0.852 -5.572 -1.753 1.00 10.00 O ATOM 1162 CB VAL A 75 3.546 -5.564 0.219 1.00 10.00 C ATOM 1163 CG1 VAL A 75 3.963 -4.400 -0.681 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.271 -5.340 1.554 1.00 10.00 C ATOM 0 H VAL A 75 2.252 -6.707 2.081 1.00 10.00 H new ATOM 0 HA VAL A 75 1.697 -4.521 0.348 1.00 10.00 H new ATOM 0 HB VAL A 75 3.819 -6.546 -0.168 1.00 10.00 H new ATOM 0 HG11 VAL A 75 5.049 -4.384 -0.775 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.515 -4.524 -1.667 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.623 -3.462 -0.243 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.348 -5.352 1.389 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.978 -4.376 1.970 1.00 10.00 H new ATOM 0 HG23 VAL A 75 4.002 -6.133 2.252 1.00 10.00 H new ATOM 1174 N ASP A 76 1.265 -7.590 -0.867 1.00 10.00 N ATOM 1175 CA ASP A 76 0.539 -8.397 -1.852 1.00 10.00 C ATOM 1176 C ASP A 76 -0.950 -8.017 -1.906 1.00 10.00 C ATOM 1177 O ASP A 76 -1.490 -7.830 -2.998 1.00 10.00 O ATOM 1178 CB ASP A 76 0.730 -9.879 -1.488 1.00 10.00 C ATOM 1179 CG ASP A 76 0.101 -10.823 -2.512 1.00 10.00 C ATOM 1180 OD1 ASP A 76 -1.089 -11.172 -2.358 1.00 10.00 O ATOM 1181 OD2 ASP A 76 0.785 -11.196 -3.490 1.00 10.00 O ATOM 0 H ASP A 76 1.712 -8.160 -0.149 1.00 10.00 H new ATOM 0 HA ASP A 76 0.937 -8.208 -2.849 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.795 -10.095 -1.407 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.291 -10.068 -0.508 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.588 -7.778 -0.751 1.00 10.00 N ATOM 1187 CA ALA A 77 -2.950 -7.255 -0.704 1.00 10.00 C ATOM 1188 C ALA A 77 -3.046 -5.852 -1.328 1.00 10.00 C ATOM 1189 O ALA A 77 -3.969 -5.607 -2.105 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.458 -7.269 0.743 1.00 10.00 C ATOM 0 H ALA A 77 -1.174 -7.942 0.167 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.590 -7.901 -1.304 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.475 -6.878 0.775 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.450 -8.291 1.122 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.811 -6.648 1.362 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.085 -4.952 -1.063 1.00 10.00 N ATOM 1197 CA ALA A 78 -2.016 -3.655 -1.739 1.00 10.00 C ATOM 1198 C ALA A 78 -1.813 -3.789 -3.255 1.00 10.00 C ATOM 1199 O ALA A 78 -2.518 -3.121 -4.012 1.00 10.00 O ATOM 1200 CB ALA A 78 -0.942 -2.772 -1.090 1.00 10.00 C ATOM 0 H ALA A 78 -1.343 -5.105 -0.380 1.00 10.00 H new ATOM 0 HA ALA A 78 -2.982 -3.166 -1.613 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.902 -1.811 -1.603 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.188 -2.613 -0.040 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.028 -3.264 -1.165 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.922 -4.680 -3.712 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.711 -4.910 -5.141 1.00 10.00 C ATOM 1208 C TYR A 79 -1.964 -5.476 -5.824 1.00 10.00 C ATOM 1209 O TYR A 79 -2.371 -4.945 -6.855 1.00 10.00 O ATOM 1210 CB TYR A 79 0.468 -5.881 -5.344 1.00 10.00 C ATOM 1211 CG TYR A 79 1.853 -5.317 -5.063 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.327 -4.234 -5.832 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.692 -5.907 -4.093 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.624 -3.728 -5.625 1.00 10.00 C ATOM 1215 CE2 TYR A 79 4.002 -5.421 -3.904 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.465 -4.320 -4.660 1.00 10.00 C ATOM 1217 OH TYR A 79 5.713 -3.812 -4.460 1.00 10.00 O ATOM 0 H TYR A 79 -0.335 -5.254 -3.106 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.487 -3.947 -5.599 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.313 -6.748 -4.702 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.445 -6.239 -6.373 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.691 -3.790 -6.584 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.330 -6.731 -3.496 1.00 10.00 H new ATOM 0 HE1 TYR A 79 3.975 -2.887 -6.205 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.652 -5.890 -3.181 1.00 10.00 H new ATOM 0 HH TYR A 79 6.168 -4.328 -3.762 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.658 -6.445 -5.208 1.00 10.00 N ATOM 1228 CA ARG A 80 -3.886 -7.027 -5.782 1.00 10.00 C ATOM 1229 C ARG A 80 -5.074 -6.074 -5.712 1.00 10.00 C ATOM 1230 O ARG A 80 -5.882 -6.022 -6.641 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.203 -8.373 -5.117 1.00 10.00 C ATOM 1232 CG ARG A 80 -3.129 -9.392 -5.514 1.00 10.00 C ATOM 1233 CD ARG A 80 -3.359 -10.762 -4.876 1.00 10.00 C ATOM 1234 NE ARG A 80 -2.098 -11.513 -4.841 1.00 10.00 N ATOM 1235 CZ ARG A 80 -1.389 -11.962 -5.866 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -1.868 -12.001 -7.089 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -0.155 -12.349 -5.673 1.00 10.00 N ATOM 0 H ARG A 80 -2.390 -6.845 -4.309 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.699 -7.201 -6.842 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.232 -8.260 -4.033 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.187 -8.724 -5.427 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -3.116 -9.497 -6.599 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -2.149 -9.017 -5.218 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -3.749 -10.642 -3.865 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -4.107 -11.316 -5.443 1.00 10.00 H new ATOM 0 HE ARG A 80 -1.722 -11.714 -3.914 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -2.817 -11.678 -7.275 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -1.290 -12.354 -7.852 1.00 10.00 H new ATOM 0 HH21 ARG A 80 0.254 -12.304 -4.740 1.00 10.00 H new ATOM 0 HH22 ARG A 80 0.399 -12.696 -6.456 1.00 10.00 H new ATOM 1251 N SER A 81 -5.142 -5.259 -4.654 1.00 10.00 N ATOM 1252 CA SER A 81 -6.110 -4.172 -4.573 1.00 10.00 C ATOM 1253 C SER A 81 -5.851 -3.154 -5.683 1.00 10.00 C ATOM 1254 O SER A 81 -6.798 -2.780 -6.368 1.00 10.00 O ATOM 1255 CB SER A 81 -6.046 -3.508 -3.195 1.00 10.00 C ATOM 1256 OG SER A 81 -7.086 -2.565 -3.066 1.00 10.00 O ATOM 0 H SER A 81 -4.532 -5.337 -3.840 1.00 10.00 H new ATOM 0 HA SER A 81 -7.113 -4.578 -4.708 1.00 10.00 H new ATOM 0 HB2 SER A 81 -6.130 -4.264 -2.414 1.00 10.00 H new ATOM 0 HB3 SER A 81 -5.081 -3.018 -3.063 1.00 10.00 H new ATOM 0 HG SER A 81 -6.717 -1.660 -3.133 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.587 -2.780 -5.939 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.230 -1.899 -7.049 1.00 10.00 C ATOM 1264 C LEU A 82 -4.566 -2.503 -8.416 1.00 10.00 C ATOM 1265 O LEU A 82 -5.143 -1.796 -9.239 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.741 -1.533 -6.970 1.00 10.00 C ATOM 1267 CG LEU A 82 -2.322 -0.385 -7.912 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -3.054 0.937 -7.637 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -0.818 -0.141 -7.767 1.00 10.00 C ATOM 0 H LEU A 82 -3.789 -3.082 -5.380 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.832 -0.996 -6.952 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.501 -1.253 -5.944 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -2.148 -2.417 -7.206 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.590 -0.700 -8.921 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -2.708 1.697 -8.337 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -4.127 0.791 -7.761 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.847 1.262 -6.617 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.515 0.669 -8.430 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.591 0.130 -6.736 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -0.275 -1.048 -8.031 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.265 -3.789 -8.650 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.545 -4.438 -9.941 1.00 10.00 C ATOM 1283 C GLU A 83 -6.039 -4.385 -10.287 1.00 10.00 C ATOM 1284 O GLU A 83 -6.377 -3.993 -11.405 1.00 10.00 O ATOM 1285 CB GLU A 83 -4.089 -5.910 -9.907 1.00 10.00 C ATOM 1286 CG GLU A 83 -2.567 -6.092 -10.016 1.00 10.00 C ATOM 1287 CD GLU A 83 -2.154 -7.558 -9.804 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -2.363 -8.078 -8.682 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -1.627 -8.155 -10.769 1.00 10.00 O ATOM 0 H GLU A 83 -3.827 -4.401 -7.962 1.00 10.00 H new ATOM 0 HA GLU A 83 -3.991 -3.894 -10.706 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -4.434 -6.366 -8.979 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.569 -6.448 -10.724 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -2.230 -5.757 -10.997 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -2.071 -5.463 -9.276 1.00 10.00 H new ATOM 1296 N SER A 84 -6.936 -4.613 -9.314 1.00 10.00 N ATOM 1297 CA SER A 84 -8.384 -4.546 -9.569 1.00 10.00 C ATOM 1298 C SER A 84 -9.007 -3.166 -9.356 1.00 10.00 C ATOM 1299 O SER A 84 -10.084 -2.887 -9.882 1.00 10.00 O ATOM 1300 CB SER A 84 -9.157 -5.721 -8.974 1.00 10.00 C ATOM 1301 OG SER A 84 -8.873 -6.889 -9.729 1.00 10.00 O ATOM 0 H SER A 84 -6.687 -4.843 -8.352 1.00 10.00 H new ATOM 0 HA SER A 84 -8.492 -4.680 -10.645 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.875 -5.868 -7.932 1.00 10.00 H new ATOM 0 HB3 SER A 84 -10.227 -5.514 -8.988 1.00 10.00 H new ATOM 0 HG SER A 84 -9.364 -7.649 -9.353 1.00 10.00 H new ATOM 1307 N PHE A 85 -8.331 -2.264 -8.643 1.00 10.00 N ATOM 1308 CA PHE A 85 -8.690 -0.850 -8.689 1.00 10.00 C ATOM 1309 C PHE A 85 -8.436 -0.359 -10.130 1.00 10.00 C ATOM 1310 O PHE A 85 -9.311 0.263 -10.721 1.00 10.00 O ATOM 1311 CB PHE A 85 -7.853 -0.113 -7.631 1.00 10.00 C ATOM 1312 CG PHE A 85 -8.097 1.371 -7.430 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -7.559 2.304 -8.334 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -8.739 1.827 -6.263 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -7.629 3.681 -8.059 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -8.818 3.205 -5.990 1.00 10.00 C ATOM 1317 CZ PHE A 85 -8.252 4.132 -6.882 1.00 10.00 C ATOM 0 H PHE A 85 -7.542 -2.485 -8.035 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.738 -0.662 -8.454 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -8.014 -0.609 -6.674 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -6.802 -0.246 -7.886 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -7.090 1.961 -9.244 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -9.172 1.116 -5.575 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -7.204 4.392 -8.752 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -9.314 3.550 -5.095 1.00 10.00 H new ATOM 0 HZ PHE A 85 -8.296 5.189 -6.664 1.00 10.00 H new ATOM 1327 N LEU A 86 -7.319 -0.755 -10.761 1.00 10.00 N ATOM 1328 CA LEU A 86 -7.005 -0.481 -12.170 1.00 10.00 C ATOM 1329 C LEU A 86 -7.933 -1.199 -13.163 1.00 10.00 C ATOM 1330 O LEU A 86 -8.285 -0.571 -14.169 1.00 10.00 O ATOM 1331 CB LEU A 86 -5.508 -0.717 -12.442 1.00 10.00 C ATOM 1332 CG LEU A 86 -4.611 0.523 -12.201 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -4.687 1.498 -13.379 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -4.939 1.339 -10.944 1.00 10.00 C ATOM 0 H LEU A 86 -6.589 -1.290 -10.290 1.00 10.00 H new ATOM 0 HA LEU A 86 -7.208 0.575 -12.348 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -5.160 -1.531 -11.807 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -5.386 -1.044 -13.475 1.00 10.00 H new ATOM 0 HG LEU A 86 -3.619 0.089 -12.077 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -4.047 2.358 -13.181 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -4.352 0.998 -14.288 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -5.716 1.833 -13.508 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -4.254 2.183 -10.869 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -5.963 1.707 -11.006 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -4.834 0.707 -10.062 1.00 10.00 H new