USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot 73:sc= 0.00716 USER MOD Set 1.2: A 13 CYS SG : rot 180:sc= 0.0066 USER MOD Single : A 4 GLN : amide:sc= 0.341 K(o=0.34,f=-4.9!) USER MOD Single : A 8 THR OG1 : rot -68:sc= 1.22 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.295 USER MOD Single : A 11 SER OG : rot 62:sc= 1.13 USER MOD Single : A 14 HIS : no HE2:sc= 0.231 K(o=0.23,f=-1.8) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -37:sc= 0.0104 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 179:sc= -0.0291 (180deg=-0.0303) USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00256) USER MOD Single : A 61 MET CE :methyl -118:sc= 0 (180deg=-0.0424) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 67 TYR OH : rot 100:sc= 0.044 USER MOD Single : A 68 ASN : amide:sc= -0.0495 K(o=-0.049,f=-0.89) USER MOD Single : A 72 MET CE :methyl 152:sc= -0.0282 (180deg=-0.0525) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 75 MET CE :methyl -164:sc= 0 (180deg=-0.124) USER MOD Single : A 83 SER OG : rot 86:sc= 1.28 USER MOD Single : A 87 SER OG : rot 70:sc= 1.27 USER MOD Single : A 88 TYR OH : rot -94:sc= 0.00777 USER MOD Single : A 93 THR OG1 : rot -51:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 2 10.624 4.549 6.307 1.00 1.57 N ATOM 13 CA GLY A 2 9.168 4.765 6.233 1.00 0.86 C ATOM 14 C GLY A 2 8.389 4.612 7.548 1.00 0.71 C ATOM 15 O GLY A 2 7.170 4.788 7.556 1.00 0.72 O ATOM 0 HA2 GLY A 2 8.990 5.768 5.845 1.00 0.86 H new ATOM 0 HA3 GLY A 2 8.755 4.065 5.507 1.00 0.86 H new ATOM 19 N GLU A 3 9.067 4.284 8.649 1.00 0.72 N ATOM 20 CA GLU A 3 8.465 3.898 9.928 1.00 0.75 C ATOM 21 C GLU A 3 7.607 5.002 10.571 1.00 0.75 C ATOM 22 O GLU A 3 6.434 4.773 10.863 1.00 0.74 O ATOM 23 CB GLU A 3 9.558 3.348 10.871 1.00 0.90 C ATOM 24 CG GLU A 3 10.568 4.356 11.458 1.00 2.46 C ATOM 25 CD GLU A 3 11.381 5.123 10.400 1.00 4.22 C ATOM 26 OE1 GLU A 3 12.410 4.614 9.913 1.00 5.36 O ATOM 27 OE2 GLU A 3 10.980 6.259 10.041 1.00 5.22 O ATOM 0 H GLU A 3 10.087 4.279 8.676 1.00 0.72 H new ATOM 0 HA GLU A 3 7.749 3.100 9.730 1.00 0.75 H new ATOM 0 HB2 GLU A 3 9.063 2.846 11.702 1.00 0.90 H new ATOM 0 HB3 GLU A 3 10.119 2.588 10.328 1.00 0.90 H new ATOM 0 HG2 GLU A 3 10.030 5.074 12.077 1.00 2.46 H new ATOM 0 HG3 GLU A 3 11.257 3.823 12.113 1.00 2.46 H new ATOM 34 N GLN A 4 8.143 6.217 10.734 1.00 0.82 N ATOM 35 CA GLN A 4 7.436 7.359 11.330 1.00 0.92 C ATOM 36 C GLN A 4 6.311 7.877 10.415 1.00 0.87 C ATOM 37 O GLN A 4 5.259 8.309 10.901 1.00 0.98 O ATOM 38 CB GLN A 4 8.431 8.491 11.655 1.00 1.10 C ATOM 39 CG GLN A 4 9.521 8.129 12.685 1.00 2.12 C ATOM 40 CD GLN A 4 8.987 7.740 14.064 1.00 3.35 C ATOM 41 OE1 GLN A 4 7.975 8.249 14.542 1.00 3.98 O ATOM 42 NE2 GLN A 4 9.653 6.848 14.763 1.00 4.64 N ATOM 0 H GLN A 4 9.097 6.439 10.451 1.00 0.82 H new ATOM 0 HA GLN A 4 6.972 7.015 12.254 1.00 0.92 H new ATOM 0 HB2 GLN A 4 8.916 8.804 10.730 1.00 1.10 H new ATOM 0 HB3 GLN A 4 7.872 9.349 12.027 1.00 1.10 H new ATOM 0 HG2 GLN A 4 10.114 7.303 12.293 1.00 2.12 H new ATOM 0 HG3 GLN A 4 10.194 8.979 12.797 1.00 2.12 H new ATOM 0 HE21 GLN A 4 10.494 6.420 14.375 1.00 4.64 H new ATOM 0 HE22 GLN A 4 9.329 6.584 15.693 1.00 4.64 H new ATOM 51 N ILE A 5 6.481 7.787 9.091 1.00 0.78 N ATOM 52 CA ILE A 5 5.444 8.170 8.121 1.00 0.75 C ATOM 53 C ILE A 5 4.295 7.153 8.158 1.00 0.65 C ATOM 54 O ILE A 5 3.136 7.556 8.232 1.00 0.70 O ATOM 55 CB ILE A 5 6.056 8.343 6.710 1.00 0.81 C ATOM 56 CG1 ILE A 5 7.126 9.465 6.709 1.00 0.98 C ATOM 57 CG2 ILE A 5 4.971 8.684 5.668 1.00 0.87 C ATOM 58 CD1 ILE A 5 8.038 9.442 5.478 1.00 1.07 C ATOM 0 H ILE A 5 7.341 7.447 8.660 1.00 0.78 H new ATOM 0 HA ILE A 5 5.024 9.138 8.393 1.00 0.75 H new ATOM 0 HB ILE A 5 6.521 7.395 6.442 1.00 0.81 H new ATOM 0 HG12 ILE A 5 6.626 10.432 6.762 1.00 0.98 H new ATOM 0 HG13 ILE A 5 7.738 9.373 7.606 1.00 0.98 H new ATOM 0 HG21 ILE A 5 5.432 8.799 4.687 1.00 0.87 H new ATOM 0 HG22 ILE A 5 4.236 7.880 5.631 1.00 0.87 H new ATOM 0 HG23 ILE A 5 4.477 9.614 5.948 1.00 0.87 H new ATOM 0 HD11 ILE A 5 8.761 10.255 5.546 1.00 1.07 H new ATOM 0 HD12 ILE A 5 8.566 8.489 5.434 1.00 1.07 H new ATOM 0 HD13 ILE A 5 7.437 9.566 4.577 1.00 1.07 H new ATOM 70 N PHE A 6 4.572 5.845 8.208 1.00 0.57 N ATOM 71 CA PHE A 6 3.516 4.835 8.357 1.00 0.54 C ATOM 72 C PHE A 6 2.810 4.958 9.719 1.00 0.58 C ATOM 73 O PHE A 6 1.576 4.956 9.777 1.00 0.65 O ATOM 74 CB PHE A 6 4.085 3.427 8.135 1.00 0.61 C ATOM 75 CG PHE A 6 2.993 2.387 7.943 1.00 0.98 C ATOM 76 CD1 PHE A 6 2.317 1.861 9.056 1.00 1.34 C ATOM 77 CD2 PHE A 6 2.598 1.998 6.648 1.00 2.00 C ATOM 78 CE1 PHE A 6 1.235 0.984 8.884 1.00 1.69 C ATOM 79 CE2 PHE A 6 1.521 1.109 6.472 1.00 2.42 C ATOM 80 CZ PHE A 6 0.837 0.605 7.592 1.00 1.96 C ATOM 0 H PHE A 6 5.515 5.461 8.148 1.00 0.57 H new ATOM 0 HA PHE A 6 2.761 5.014 7.592 1.00 0.54 H new ATOM 0 HB2 PHE A 6 4.735 3.434 7.260 1.00 0.61 H new ATOM 0 HB3 PHE A 6 4.703 3.148 8.989 1.00 0.61 H new ATOM 0 HD1 PHE A 6 2.632 2.134 10.052 1.00 1.34 H new ATOM 0 HD2 PHE A 6 3.124 2.383 5.787 1.00 2.00 H new ATOM 0 HE1 PHE A 6 0.708 0.601 9.745 1.00 1.69 H new ATOM 0 HE2 PHE A 6 1.220 0.814 5.477 1.00 2.42 H new ATOM 0 HZ PHE A 6 0.007 -0.073 7.459 1.00 1.96 H new ATOM 90 N ARG A 7 3.582 5.141 10.804 1.00 0.66 N ATOM 91 CA ARG A 7 3.110 5.368 12.186 1.00 0.82 C ATOM 92 C ARG A 7 2.117 6.526 12.291 1.00 0.93 C ATOM 93 O ARG A 7 1.188 6.437 13.089 1.00 1.13 O ATOM 94 CB ARG A 7 4.339 5.629 13.080 1.00 0.88 C ATOM 95 CG ARG A 7 4.046 5.841 14.573 1.00 1.10 C ATOM 96 CD ARG A 7 5.362 6.053 15.333 1.00 2.11 C ATOM 97 NE ARG A 7 5.133 6.146 16.783 1.00 2.70 N ATOM 98 CZ ARG A 7 5.696 7.018 17.640 1.00 4.20 C ATOM 99 NH1 ARG A 7 6.622 7.906 17.252 1.00 5.62 N ATOM 100 NH2 ARG A 7 5.319 7.002 18.926 1.00 4.81 N ATOM 0 H ARG A 7 4.600 5.135 10.741 1.00 0.66 H new ATOM 0 HA ARG A 7 2.573 4.479 12.516 1.00 0.82 H new ATOM 0 HB2 ARG A 7 5.024 4.787 12.979 1.00 0.88 H new ATOM 0 HB3 ARG A 7 4.859 6.509 12.702 1.00 0.88 H new ATOM 0 HG2 ARG A 7 3.394 6.705 14.707 1.00 1.10 H new ATOM 0 HG3 ARG A 7 3.517 4.977 14.976 1.00 1.10 H new ATOM 0 HD2 ARG A 7 6.043 5.228 15.122 1.00 2.11 H new ATOM 0 HD3 ARG A 7 5.846 6.964 14.980 1.00 2.11 H new ATOM 0 HE ARG A 7 4.476 5.476 17.183 1.00 2.70 H new ATOM 0 HH11 ARG A 7 6.923 7.937 16.278 1.00 5.62 H new ATOM 0 HH12 ARG A 7 7.026 8.551 17.931 1.00 5.62 H new ATOM 0 HH21 ARG A 7 4.615 6.335 19.243 1.00 4.81 H new ATOM 0 HH22 ARG A 7 5.736 7.656 19.588 1.00 4.81 H new ATOM 114 N THR A 8 2.302 7.584 11.499 1.00 0.89 N ATOM 115 CA THR A 8 1.448 8.782 11.515 1.00 1.05 C ATOM 116 C THR A 8 0.327 8.780 10.475 1.00 1.10 C ATOM 117 O THR A 8 -0.791 9.184 10.803 1.00 1.44 O ATOM 118 CB THR A 8 2.277 10.073 11.387 1.00 1.10 C ATOM 119 OG1 THR A 8 3.188 10.037 10.309 1.00 1.18 O ATOM 120 CG2 THR A 8 3.068 10.348 12.660 1.00 1.28 C ATOM 0 H THR A 8 3.059 7.637 10.817 1.00 0.89 H new ATOM 0 HA THR A 8 0.962 8.753 12.490 1.00 1.05 H new ATOM 0 HB THR A 8 1.551 10.866 11.207 1.00 1.10 H new ATOM 0 HG1 THR A 8 3.888 9.377 10.494 1.00 1.18 H new ATOM 0 HG21 THR A 8 3.644 11.266 12.540 1.00 1.28 H new ATOM 0 HG22 THR A 8 2.381 10.458 13.499 1.00 1.28 H new ATOM 0 HG23 THR A 8 3.746 9.517 12.853 1.00 1.28 H new ATOM 128 N ARG A 9 0.590 8.350 9.234 1.00 0.88 N ATOM 129 CA ARG A 9 -0.337 8.524 8.098 1.00 0.97 C ATOM 130 C ARG A 9 -1.222 7.311 7.792 1.00 0.89 C ATOM 131 O ARG A 9 -2.291 7.499 7.214 1.00 1.14 O ATOM 132 CB ARG A 9 0.406 8.993 6.834 1.00 1.22 C ATOM 133 CG ARG A 9 1.057 10.378 7.011 1.00 1.41 C ATOM 134 CD ARG A 9 1.257 11.116 5.678 1.00 1.24 C ATOM 135 NE ARG A 9 -0.031 11.523 5.089 1.00 1.86 N ATOM 136 CZ ARG A 9 -0.217 12.460 4.141 1.00 2.51 C ATOM 137 NH1 ARG A 9 0.808 13.141 3.606 1.00 2.83 N ATOM 138 NH2 ARG A 9 -1.462 12.722 3.720 1.00 4.17 N ATOM 0 H ARG A 9 1.454 7.869 8.984 1.00 0.88 H new ATOM 0 HA ARG A 9 -1.025 9.305 8.423 1.00 0.97 H new ATOM 0 HB2 ARG A 9 1.175 8.264 6.577 1.00 1.22 H new ATOM 0 HB3 ARG A 9 -0.292 9.028 5.998 1.00 1.22 H new ATOM 0 HG2 ARG A 9 0.435 10.986 7.668 1.00 1.41 H new ATOM 0 HG3 ARG A 9 2.022 10.261 7.505 1.00 1.41 H new ATOM 0 HD2 ARG A 9 1.880 11.996 5.838 1.00 1.24 H new ATOM 0 HD3 ARG A 9 1.790 10.471 4.980 1.00 1.24 H new ATOM 0 HE ARG A 9 -0.865 11.047 5.434 1.00 1.86 H new ATOM 0 HH11 ARG A 9 1.762 12.954 3.916 1.00 2.83 H new ATOM 0 HH12 ARG A 9 0.634 13.845 2.889 1.00 2.83 H new ATOM 0 HH21 ARG A 9 -2.252 12.214 4.117 1.00 4.17 H new ATOM 0 HH22 ARG A 9 -1.619 13.429 3.002 1.00 4.17 H new ATOM 152 N CYS A 10 -0.775 6.095 8.119 1.00 0.74 N ATOM 153 CA CYS A 10 -1.298 4.862 7.505 1.00 0.75 C ATOM 154 C CYS A 10 -1.486 3.672 8.465 1.00 0.72 C ATOM 155 O CYS A 10 -1.683 2.545 8.009 1.00 0.91 O ATOM 156 CB CYS A 10 -0.380 4.465 6.339 1.00 1.01 C ATOM 157 SG CYS A 10 -0.124 5.745 5.068 1.00 1.65 S ATOM 0 H CYS A 10 -0.045 5.933 8.812 1.00 0.74 H new ATOM 0 HA CYS A 10 -2.306 5.098 7.164 1.00 0.75 H new ATOM 0 HB2 CYS A 10 0.591 4.182 6.745 1.00 1.01 H new ATOM 0 HB3 CYS A 10 -0.795 3.579 5.859 1.00 1.01 H new ATOM 0 HG CYS A 10 0.668 5.287 4.144 1.00 1.65 H new ATOM 162 N SER A 11 -1.437 3.889 9.783 1.00 0.81 N ATOM 163 CA SER A 11 -1.531 2.825 10.802 1.00 0.93 C ATOM 164 C SER A 11 -2.964 2.496 11.259 1.00 1.09 C ATOM 165 O SER A 11 -3.171 1.513 11.973 1.00 1.93 O ATOM 166 CB SER A 11 -0.642 3.180 11.996 1.00 1.07 C ATOM 167 OG SER A 11 0.717 3.144 11.613 1.00 1.96 O ATOM 0 H SER A 11 -1.329 4.821 10.184 1.00 0.81 H new ATOM 0 HA SER A 11 -1.177 1.912 10.324 1.00 0.93 H new ATOM 0 HB2 SER A 11 -0.897 4.172 12.368 1.00 1.07 H new ATOM 0 HB3 SER A 11 -0.817 2.479 12.812 1.00 1.07 H new ATOM 0 HG SER A 11 0.878 3.813 10.915 1.00 1.96 H new ATOM 173 N SER A 12 -3.971 3.276 10.848 1.00 1.30 N ATOM 174 CA SER A 12 -5.361 3.161 11.329 1.00 1.40 C ATOM 175 C SER A 12 -6.096 1.868 10.923 1.00 1.12 C ATOM 176 O SER A 12 -6.909 1.361 11.704 1.00 1.33 O ATOM 177 CB SER A 12 -6.160 4.390 10.873 1.00 1.93 C ATOM 178 OG SER A 12 -6.101 4.559 9.463 1.00 3.54 O ATOM 0 H SER A 12 -3.845 4.019 10.160 1.00 1.30 H new ATOM 0 HA SER A 12 -5.293 3.112 12.416 1.00 1.40 H new ATOM 0 HB2 SER A 12 -7.199 4.285 11.184 1.00 1.93 H new ATOM 0 HB3 SER A 12 -5.769 5.281 11.364 1.00 1.93 H new ATOM 0 HG SER A 12 -6.652 3.875 9.028 1.00 3.54 H new ATOM 184 N CYS A 13 -5.811 1.313 9.738 1.00 0.99 N ATOM 185 CA CYS A 13 -6.505 0.147 9.157 1.00 0.92 C ATOM 186 C CYS A 13 -5.615 -1.101 8.989 1.00 0.93 C ATOM 187 O CYS A 13 -6.123 -2.195 8.733 1.00 1.21 O ATOM 188 CB CYS A 13 -7.089 0.527 7.789 1.00 1.07 C ATOM 189 SG CYS A 13 -8.195 1.975 7.758 1.00 0.98 S ATOM 0 H CYS A 13 -5.070 1.671 9.136 1.00 0.99 H new ATOM 0 HA CYS A 13 -7.287 -0.120 9.868 1.00 0.92 H new ATOM 0 HB2 CYS A 13 -6.262 0.713 7.104 1.00 1.07 H new ATOM 0 HB3 CYS A 13 -7.638 -0.331 7.401 1.00 1.07 H new ATOM 0 HG CYS A 13 -8.609 2.179 6.543 1.00 0.98 H new ATOM 194 N HIS A 14 -4.295 -0.947 9.107 1.00 0.85 N ATOM 195 CA HIS A 14 -3.282 -1.991 8.906 1.00 0.81 C ATOM 196 C HIS A 14 -1.969 -1.659 9.627 1.00 0.87 C ATOM 197 O HIS A 14 -1.737 -0.524 10.047 1.00 1.44 O ATOM 198 CB HIS A 14 -2.995 -2.235 7.409 1.00 1.47 C ATOM 199 CG HIS A 14 -3.083 -1.043 6.501 1.00 0.59 C ATOM 200 ND1 HIS A 14 -2.818 0.272 6.792 1.00 2.30 N ATOM 201 CD2 HIS A 14 -3.497 -1.105 5.208 1.00 1.11 C ATOM 202 CE1 HIS A 14 -3.118 0.991 5.702 1.00 2.65 C ATOM 203 NE2 HIS A 14 -3.537 0.199 4.686 1.00 0.87 N ATOM 0 H HIS A 14 -3.881 -0.049 9.357 1.00 0.85 H new ATOM 0 HA HIS A 14 -3.699 -2.902 9.336 1.00 0.81 H new ATOM 0 HB2 HIS A 14 -1.994 -2.658 7.319 1.00 1.47 H new ATOM 0 HB3 HIS A 14 -3.693 -2.990 7.048 1.00 1.47 H new ATOM 0 HD1 HIS A 14 -2.459 0.635 7.675 1.00 2.30 H new ATOM 0 HD2 HIS A 14 -3.753 -2.007 4.671 1.00 1.11 H new ATOM 0 HE1 HIS A 14 -3.036 2.066 5.641 1.00 2.65 H new ATOM 211 N THR A 15 -1.089 -2.656 9.691 1.00 0.76 N ATOM 212 CA THR A 15 0.251 -2.548 10.279 1.00 1.13 C ATOM 213 C THR A 15 1.252 -3.476 9.593 1.00 0.77 C ATOM 214 O THR A 15 0.876 -4.359 8.823 1.00 0.73 O ATOM 215 CB THR A 15 0.199 -2.748 11.801 1.00 1.91 C ATOM 216 OG1 THR A 15 1.305 -2.109 12.374 1.00 4.19 O ATOM 217 CG2 THR A 15 0.177 -4.192 12.284 1.00 1.73 C ATOM 0 H THR A 15 -1.290 -3.587 9.327 1.00 0.76 H new ATOM 0 HA THR A 15 0.615 -1.536 10.103 1.00 1.13 H new ATOM 0 HB THR A 15 -0.755 -2.322 12.113 1.00 1.91 H new ATOM 0 HG1 THR A 15 1.284 -2.227 13.347 1.00 4.19 H new ATOM 0 HG21 THR A 15 0.140 -4.211 13.373 1.00 1.73 H new ATOM 0 HG22 THR A 15 -0.702 -4.697 11.883 1.00 1.73 H new ATOM 0 HG23 THR A 15 1.077 -4.704 11.942 1.00 1.73 H new ATOM 225 N VAL A 16 2.546 -3.239 9.824 1.00 0.94 N ATOM 226 CA VAL A 16 3.642 -3.845 9.049 1.00 0.96 C ATOM 227 C VAL A 16 4.585 -4.561 10.006 1.00 1.37 C ATOM 228 O VAL A 16 5.448 -3.959 10.645 1.00 1.79 O ATOM 229 CB VAL A 16 4.364 -2.784 8.198 1.00 1.13 C ATOM 230 CG1 VAL A 16 5.265 -3.453 7.155 1.00 1.49 C ATOM 231 CG2 VAL A 16 3.370 -1.841 7.501 1.00 1.68 C ATOM 0 H VAL A 16 2.870 -2.614 10.562 1.00 0.94 H new ATOM 0 HA VAL A 16 3.242 -4.578 8.349 1.00 0.96 H new ATOM 0 HB VAL A 16 4.977 -2.188 8.874 1.00 1.13 H new ATOM 0 HG11 VAL A 16 5.767 -2.688 6.563 1.00 1.49 H new ATOM 0 HG12 VAL A 16 6.010 -4.069 7.659 1.00 1.49 H new ATOM 0 HG13 VAL A 16 4.660 -4.080 6.500 1.00 1.49 H new ATOM 0 HG21 VAL A 16 3.918 -1.107 6.910 1.00 1.68 H new ATOM 0 HG22 VAL A 16 2.718 -2.419 6.847 1.00 1.68 H new ATOM 0 HG23 VAL A 16 2.769 -1.327 8.251 1.00 1.68 H new ATOM 241 N GLY A 17 4.353 -5.858 10.171 1.00 1.45 N ATOM 242 CA GLY A 17 5.047 -6.724 11.128 1.00 1.91 C ATOM 243 C GLY A 17 4.638 -6.535 12.595 1.00 2.25 C ATOM 244 O GLY A 17 4.946 -7.389 13.424 1.00 2.36 O ATOM 0 H GLY A 17 3.652 -6.357 9.624 1.00 1.45 H new ATOM 0 HA2 GLY A 17 4.870 -7.763 10.849 1.00 1.91 H new ATOM 0 HA3 GLY A 17 6.119 -6.549 11.041 1.00 1.91 H new ATOM 376 N PRO A 28 -4.819 -7.372 6.497 1.00 2.42 N ATOM 377 CA PRO A 28 -3.794 -8.244 7.092 1.00 2.26 C ATOM 378 C PRO A 28 -2.543 -7.503 7.609 1.00 1.88 C ATOM 379 O PRO A 28 -2.551 -6.299 7.872 1.00 1.81 O ATOM 380 CB PRO A 28 -3.445 -9.259 5.984 1.00 3.27 C ATOM 381 CG PRO A 28 -4.665 -9.251 5.070 1.00 3.93 C ATOM 382 CD PRO A 28 -5.057 -7.782 5.120 1.00 3.41 C ATOM 0 HA PRO A 28 -4.183 -8.718 7.993 1.00 2.26 H new ATOM 0 HB2 PRO A 28 -2.543 -8.967 5.446 1.00 3.27 H new ATOM 0 HB3 PRO A 28 -3.263 -10.251 6.396 1.00 3.27 H new ATOM 0 HG2 PRO A 28 -4.425 -9.579 4.059 1.00 3.93 H new ATOM 0 HG3 PRO A 28 -5.459 -9.902 5.436 1.00 3.93 H new ATOM 0 HD2 PRO A 28 -4.461 -7.191 4.424 1.00 3.41 H new ATOM 0 HD3 PRO A 28 -6.102 -7.643 4.842 1.00 3.41 H new ATOM 390 N ASP A 29 -1.445 -8.243 7.775 1.00 1.91 N ATOM 391 CA ASP A 29 -0.097 -7.699 7.974 1.00 1.61 C ATOM 392 C ASP A 29 0.533 -7.348 6.610 1.00 1.41 C ATOM 393 O ASP A 29 0.472 -8.166 5.686 1.00 1.88 O ATOM 394 CB ASP A 29 0.723 -8.772 8.708 1.00 1.96 C ATOM 395 CG ASP A 29 2.063 -8.278 9.238 1.00 2.49 C ATOM 396 OD1 ASP A 29 2.724 -7.453 8.578 1.00 3.27 O ATOM 397 OD2 ASP A 29 2.440 -8.733 10.348 1.00 3.13 O ATOM 0 H ASP A 29 -1.467 -9.263 7.775 1.00 1.91 H new ATOM 0 HA ASP A 29 -0.122 -6.783 8.564 1.00 1.61 H new ATOM 0 HB2 ASP A 29 0.135 -9.157 9.541 1.00 1.96 H new ATOM 0 HB3 ASP A 29 0.898 -9.607 8.030 1.00 1.96 H new ATOM 402 N LEU A 30 1.156 -6.177 6.447 1.00 0.87 N ATOM 403 CA LEU A 30 1.763 -5.775 5.160 1.00 0.79 C ATOM 404 C LEU A 30 3.205 -6.278 4.966 1.00 0.78 C ATOM 405 O LEU A 30 3.769 -6.135 3.878 1.00 0.94 O ATOM 406 CB LEU A 30 1.667 -4.257 4.932 1.00 0.81 C ATOM 407 CG LEU A 30 0.333 -3.598 5.322 1.00 0.84 C ATOM 408 CD1 LEU A 30 0.357 -2.121 4.921 1.00 1.04 C ATOM 409 CD2 LEU A 30 -0.876 -4.236 4.636 1.00 1.41 C ATOM 0 H LEU A 30 1.257 -5.484 7.189 1.00 0.87 H new ATOM 0 HA LEU A 30 1.168 -6.273 4.395 1.00 0.79 H new ATOM 0 HB2 LEU A 30 2.466 -3.774 5.495 1.00 0.81 H new ATOM 0 HB3 LEU A 30 1.854 -4.056 3.877 1.00 0.81 H new ATOM 0 HG LEU A 30 0.230 -3.731 6.399 1.00 0.84 H new ATOM 0 HD11 LEU A 30 -0.588 -1.654 5.197 1.00 1.04 H new ATOM 0 HD12 LEU A 30 1.175 -1.617 5.436 1.00 1.04 H new ATOM 0 HD13 LEU A 30 0.501 -2.039 3.844 1.00 1.04 H new ATOM 0 HD21 LEU A 30 -1.786 -3.726 4.953 1.00 1.41 H new ATOM 0 HD22 LEU A 30 -0.769 -4.148 3.555 1.00 1.41 H new ATOM 0 HD23 LEU A 30 -0.936 -5.289 4.910 1.00 1.41 H new ATOM 421 N LEU A 31 3.822 -6.875 5.991 1.00 0.86 N ATOM 422 CA LEU A 31 5.169 -7.440 5.896 1.00 0.93 C ATOM 423 C LEU A 31 5.217 -8.533 4.826 1.00 0.94 C ATOM 424 O LEU A 31 4.382 -9.441 4.772 1.00 1.57 O ATOM 425 CB LEU A 31 5.626 -7.901 7.273 1.00 1.14 C ATOM 426 CG LEU A 31 7.133 -8.190 7.390 1.00 1.57 C ATOM 427 CD1 LEU A 31 7.518 -8.072 8.855 1.00 2.46 C ATOM 428 CD2 LEU A 31 7.546 -9.583 6.920 1.00 1.91 C ATOM 0 H LEU A 31 3.398 -6.980 6.913 1.00 0.86 H new ATOM 0 HA LEU A 31 5.879 -6.679 5.570 1.00 0.93 H new ATOM 0 HB2 LEU A 31 5.359 -7.137 8.003 1.00 1.14 H new ATOM 0 HB3 LEU A 31 5.076 -8.803 7.540 1.00 1.14 H new ATOM 0 HG LEU A 31 7.639 -7.471 6.745 1.00 1.57 H new ATOM 0 HD11 LEU A 31 8.583 -8.272 8.968 1.00 2.46 H new ATOM 0 HD12 LEU A 31 7.298 -7.065 9.209 1.00 2.46 H new ATOM 0 HD13 LEU A 31 6.949 -8.794 9.440 1.00 2.46 H new ATOM 0 HD21 LEU A 31 8.623 -9.702 7.037 1.00 1.91 H new ATOM 0 HD22 LEU A 31 7.031 -10.336 7.517 1.00 1.91 H new ATOM 0 HD23 LEU A 31 7.279 -9.707 5.870 1.00 1.91 H new ATOM 440 N GLY A 32 6.221 -8.409 3.966 1.00 0.92 N ATOM 441 CA GLY A 32 6.471 -9.287 2.821 1.00 0.90 C ATOM 442 C GLY A 32 5.563 -9.067 1.601 1.00 0.75 C ATOM 443 O GLY A 32 5.726 -9.782 0.613 1.00 0.81 O ATOM 0 H GLY A 32 6.914 -7.665 4.048 1.00 0.92 H new ATOM 0 HA2 GLY A 32 7.507 -9.158 2.508 1.00 0.90 H new ATOM 0 HA3 GLY A 32 6.363 -10.321 3.149 1.00 0.90 H new ATOM 447 N VAL A 33 4.648 -8.080 1.597 1.00 0.73 N ATOM 448 CA VAL A 33 3.750 -7.847 0.442 1.00 0.73 C ATOM 449 C VAL A 33 4.529 -7.603 -0.862 1.00 0.65 C ATOM 450 O VAL A 33 4.162 -8.142 -1.904 1.00 0.82 O ATOM 451 CB VAL A 33 2.720 -6.733 0.731 1.00 0.87 C ATOM 452 CG1 VAL A 33 3.321 -5.322 0.740 1.00 1.67 C ATOM 453 CG2 VAL A 33 1.568 -6.767 -0.278 1.00 1.50 C ATOM 0 H VAL A 33 4.509 -7.433 2.373 1.00 0.73 H new ATOM 0 HA VAL A 33 3.183 -8.766 0.291 1.00 0.73 H new ATOM 0 HB VAL A 33 2.353 -6.944 1.735 1.00 0.87 H new ATOM 0 HG11 VAL A 33 2.537 -4.594 0.950 1.00 1.67 H new ATOM 0 HG12 VAL A 33 4.090 -5.259 1.510 1.00 1.67 H new ATOM 0 HG13 VAL A 33 3.763 -5.109 -0.233 1.00 1.67 H new ATOM 0 HG21 VAL A 33 0.860 -5.971 -0.048 1.00 1.50 H new ATOM 0 HG22 VAL A 33 1.961 -6.623 -1.284 1.00 1.50 H new ATOM 0 HG23 VAL A 33 1.062 -7.731 -0.220 1.00 1.50 H new ATOM 463 N THR A 34 5.684 -6.931 -0.772 1.00 0.63 N ATOM 464 CA THR A 34 6.635 -6.656 -1.871 1.00 0.79 C ATOM 465 C THR A 34 7.320 -7.916 -2.453 1.00 0.81 C ATOM 466 O THR A 34 8.068 -7.835 -3.434 1.00 1.08 O ATOM 467 CB THR A 34 7.636 -5.583 -1.390 1.00 1.01 C ATOM 468 OG1 THR A 34 8.269 -4.908 -2.450 1.00 2.25 O ATOM 469 CG2 THR A 34 8.724 -6.125 -0.463 1.00 1.81 C ATOM 0 H THR A 34 6.003 -6.541 0.115 1.00 0.63 H new ATOM 0 HA THR A 34 6.073 -6.273 -2.723 1.00 0.79 H new ATOM 0 HB THR A 34 7.010 -4.888 -0.831 1.00 1.01 H new ATOM 0 HG1 THR A 34 8.446 -5.538 -3.180 1.00 2.25 H new ATOM 0 HG21 THR A 34 9.388 -5.313 -0.168 1.00 1.81 H new ATOM 0 HG22 THR A 34 8.263 -6.558 0.425 1.00 1.81 H new ATOM 0 HG23 THR A 34 9.298 -6.891 -0.984 1.00 1.81 H new ATOM 477 N ARG A 35 7.067 -9.106 -1.878 1.00 0.80 N ATOM 478 CA ARG A 35 7.421 -10.426 -2.438 1.00 1.01 C ATOM 479 C ARG A 35 6.243 -11.415 -2.534 1.00 1.22 C ATOM 480 O ARG A 35 6.463 -12.604 -2.786 1.00 1.86 O ATOM 481 CB ARG A 35 8.663 -11.006 -1.731 1.00 1.11 C ATOM 482 CG ARG A 35 8.435 -11.409 -0.266 1.00 1.50 C ATOM 483 CD ARG A 35 9.669 -12.141 0.273 1.00 2.30 C ATOM 484 NE ARG A 35 9.450 -12.632 1.641 1.00 3.45 N ATOM 485 CZ ARG A 35 10.237 -13.513 2.284 1.00 4.53 C ATOM 486 NH1 ARG A 35 11.343 -14.018 1.715 1.00 5.00 N ATOM 487 NH2 ARG A 35 9.907 -13.899 3.524 1.00 5.76 N ATOM 0 H ARG A 35 6.593 -9.179 -0.978 1.00 0.80 H new ATOM 0 HA ARG A 35 7.689 -10.259 -3.481 1.00 1.01 H new ATOM 0 HB2 ARG A 35 9.006 -11.880 -2.285 1.00 1.11 H new ATOM 0 HB3 ARG A 35 9.465 -10.269 -1.771 1.00 1.11 H new ATOM 0 HG2 ARG A 35 8.235 -10.523 0.337 1.00 1.50 H new ATOM 0 HG3 ARG A 35 7.558 -12.052 -0.189 1.00 1.50 H new ATOM 0 HD2 ARG A 35 9.911 -12.979 -0.381 1.00 2.30 H new ATOM 0 HD3 ARG A 35 10.527 -11.469 0.260 1.00 2.30 H new ATOM 0 HE ARG A 35 8.636 -12.276 2.143 1.00 3.45 H new ATOM 0 HH11 ARG A 35 11.605 -13.735 0.771 1.00 5.00 H new ATOM 0 HH12 ARG A 35 11.921 -14.685 2.227 1.00 5.00 H new ATOM 0 HH21 ARG A 35 9.068 -13.525 3.968 1.00 5.76 H new ATOM 0 HH22 ARG A 35 10.494 -14.567 4.024 1.00 5.76 H new ATOM 501 N GLN A 36 5.003 -10.952 -2.338 1.00 0.98 N ATOM 502 CA GLN A 36 3.784 -11.756 -2.325 1.00 1.29 C ATOM 503 C GLN A 36 2.687 -11.236 -3.292 1.00 1.53 C ATOM 504 O GLN A 36 1.899 -12.043 -3.799 1.00 1.88 O ATOM 505 CB GLN A 36 3.315 -11.809 -0.856 1.00 1.42 C ATOM 506 CG GLN A 36 2.096 -12.713 -0.723 1.00 2.38 C ATOM 507 CD GLN A 36 1.567 -12.936 0.691 1.00 3.34 C ATOM 508 OE1 GLN A 36 2.018 -12.371 1.680 1.00 4.02 O ATOM 509 NE2 GLN A 36 0.549 -13.757 0.823 1.00 4.35 N ATOM 0 H GLN A 36 4.818 -9.962 -2.177 1.00 0.98 H new ATOM 0 HA GLN A 36 3.991 -12.758 -2.702 1.00 1.29 H new ATOM 0 HB2 GLN A 36 4.121 -12.179 -0.223 1.00 1.42 H new ATOM 0 HB3 GLN A 36 3.071 -10.805 -0.508 1.00 1.42 H new ATOM 0 HG2 GLN A 36 1.291 -12.292 -1.326 1.00 2.38 H new ATOM 0 HG3 GLN A 36 2.342 -13.684 -1.153 1.00 2.38 H new ATOM 0 HE21 GLN A 36 0.167 -14.232 0.005 1.00 4.35 H new ATOM 0 HE22 GLN A 36 0.141 -13.919 1.744 1.00 4.35 H new ATOM 518 N ARG A 37 2.620 -9.923 -3.567 1.00 1.48 N ATOM 519 CA ARG A 37 1.629 -9.290 -4.465 1.00 1.83 C ATOM 520 C ARG A 37 2.273 -8.172 -5.300 1.00 2.02 C ATOM 521 O ARG A 37 2.010 -6.987 -5.122 1.00 3.34 O ATOM 522 CB ARG A 37 0.377 -8.889 -3.663 1.00 2.52 C ATOM 523 CG ARG A 37 -0.803 -8.527 -4.587 1.00 2.29 C ATOM 524 CD ARG A 37 -2.163 -8.867 -3.963 1.00 2.35 C ATOM 525 NE ARG A 37 -2.361 -8.197 -2.672 1.00 1.92 N ATOM 526 CZ ARG A 37 -2.877 -8.740 -1.557 1.00 2.52 C ATOM 527 NH1 ARG A 37 -3.264 -10.023 -1.511 1.00 3.44 N ATOM 528 NH2 ARG A 37 -3.004 -7.971 -0.466 1.00 2.87 N ATOM 0 H ARG A 37 3.270 -9.250 -3.161 1.00 1.48 H new ATOM 0 HA ARG A 37 1.277 -10.004 -5.210 1.00 1.83 H new ATOM 0 HB2 ARG A 37 0.087 -9.710 -3.008 1.00 2.52 H new ATOM 0 HB3 ARG A 37 0.612 -8.038 -3.023 1.00 2.52 H new ATOM 0 HG2 ARG A 37 -0.768 -7.462 -4.816 1.00 2.29 H new ATOM 0 HG3 ARG A 37 -0.697 -9.060 -5.532 1.00 2.29 H new ATOM 0 HD2 ARG A 37 -2.959 -8.575 -4.648 1.00 2.35 H new ATOM 0 HD3 ARG A 37 -2.239 -9.946 -3.827 1.00 2.35 H new ATOM 0 HE ARG A 37 -2.078 -7.219 -2.616 1.00 1.92 H new ATOM 0 HH11 ARG A 37 -3.170 -10.614 -2.337 1.00 3.44 H new ATOM 0 HH12 ARG A 37 -3.652 -10.408 -0.650 1.00 3.44 H new ATOM 0 HH21 ARG A 37 -2.711 -6.994 -0.494 1.00 2.87 H new ATOM 0 HH22 ARG A 37 -3.393 -8.363 0.392 1.00 2.87 H new ATOM 542 N ASP A 38 3.146 -8.597 -6.213 1.00 1.73 N ATOM 543 CA ASP A 38 4.049 -7.770 -7.028 1.00 1.78 C ATOM 544 C ASP A 38 4.992 -6.860 -6.200 1.00 2.27 C ATOM 545 O ASP A 38 5.215 -7.114 -5.017 1.00 3.67 O ATOM 546 CB ASP A 38 3.247 -7.056 -8.134 1.00 1.86 C ATOM 547 CG ASP A 38 4.135 -6.709 -9.329 1.00 2.28 C ATOM 548 OD1 ASP A 38 4.536 -7.638 -10.069 1.00 2.87 O ATOM 549 OD2 ASP A 38 4.521 -5.526 -9.469 1.00 3.42 O ATOM 0 H ASP A 38 3.252 -9.590 -6.420 1.00 1.73 H new ATOM 0 HA ASP A 38 4.759 -8.429 -7.528 1.00 1.78 H new ATOM 0 HB2 ASP A 38 2.427 -7.695 -8.461 1.00 1.86 H new ATOM 0 HB3 ASP A 38 2.801 -6.146 -7.733 1.00 1.86 H new ATOM 554 N ALA A 39 5.622 -5.873 -6.846 1.00 1.62 N ATOM 555 CA ALA A 39 6.529 -4.880 -6.255 1.00 1.60 C ATOM 556 C ALA A 39 6.529 -3.514 -6.985 1.00 1.45 C ATOM 557 O ALA A 39 6.956 -2.516 -6.403 1.00 1.59 O ATOM 558 CB ALA A 39 7.948 -5.458 -6.262 1.00 1.86 C ATOM 0 H ALA A 39 5.507 -5.737 -7.850 1.00 1.62 H new ATOM 0 HA ALA A 39 6.174 -4.683 -5.244 1.00 1.60 H new ATOM 0 HB1 ALA A 39 8.638 -4.735 -5.827 1.00 1.86 H new ATOM 0 HB2 ALA A 39 7.969 -6.377 -5.677 1.00 1.86 H new ATOM 0 HB3 ALA A 39 8.248 -5.673 -7.287 1.00 1.86 H new ATOM 564 N ASN A 40 6.056 -3.444 -8.239 1.00 1.40 N ATOM 565 CA ASN A 40 5.993 -2.230 -9.064 1.00 1.29 C ATOM 566 C ASN A 40 4.540 -1.782 -9.312 1.00 0.90 C ATOM 567 O ASN A 40 4.242 -0.593 -9.195 1.00 0.91 O ATOM 568 CB ASN A 40 6.784 -2.490 -10.357 1.00 1.73 C ATOM 569 CG ASN A 40 8.276 -2.429 -10.090 1.00 3.04 C ATOM 570 OD1 ASN A 40 8.899 -3.390 -9.648 1.00 4.57 O ATOM 571 ND2 ASN A 40 8.871 -1.275 -10.273 1.00 3.21 N ATOM 0 H ASN A 40 5.693 -4.265 -8.724 1.00 1.40 H new ATOM 0 HA ASN A 40 6.452 -1.392 -8.540 1.00 1.29 H new ATOM 0 HB2 ASN A 40 6.521 -3.468 -10.761 1.00 1.73 H new ATOM 0 HB3 ASN A 40 6.513 -1.751 -11.111 1.00 1.73 H new ATOM 0 HD21 ASN A 40 9.860 -1.170 -10.048 1.00 3.21 H new ATOM 0 HD22 ASN A 40 8.345 -0.482 -10.641 1.00 3.21 H new ATOM 578 N TRP A 41 3.611 -2.727 -9.518 1.00 0.73 N ATOM 579 CA TRP A 41 2.156 -2.492 -9.453 1.00 0.57 C ATOM 580 C TRP A 41 1.773 -1.856 -8.110 1.00 0.49 C ATOM 581 O TRP A 41 1.019 -0.886 -8.057 1.00 0.55 O ATOM 582 CB TRP A 41 1.429 -3.839 -9.617 1.00 0.55 C ATOM 583 CG TRP A 41 -0.012 -3.853 -9.204 1.00 0.58 C ATOM 584 CD1 TRP A 41 -1.066 -3.548 -9.996 1.00 0.65 C ATOM 585 CD2 TRP A 41 -0.571 -4.119 -7.876 1.00 0.71 C ATOM 586 NE1 TRP A 41 -2.231 -3.639 -9.264 1.00 0.79 N ATOM 587 CE2 TRP A 41 -1.982 -3.905 -7.933 1.00 0.83 C ATOM 588 CE3 TRP A 41 -0.027 -4.496 -6.626 1.00 0.82 C ATOM 589 CZ2 TRP A 41 -2.800 -4.004 -6.798 1.00 1.02 C ATOM 590 CZ3 TRP A 41 -0.835 -4.572 -5.474 1.00 1.01 C ATOM 591 CH2 TRP A 41 -2.212 -4.316 -5.558 1.00 1.11 C ATOM 0 H TRP A 41 3.851 -3.694 -9.738 1.00 0.73 H new ATOM 0 HA TRP A 41 1.865 -1.809 -10.251 1.00 0.57 H new ATOM 0 HB2 TRP A 41 1.491 -4.140 -10.663 1.00 0.55 H new ATOM 0 HB3 TRP A 41 1.962 -4.592 -9.036 1.00 0.55 H new ATOM 0 HD1 TRP A 41 -1.004 -3.276 -11.039 1.00 0.65 H new ATOM 0 HE1 TRP A 41 -3.164 -3.524 -9.659 1.00 0.79 H new ATOM 0 HE3 TRP A 41 1.025 -4.729 -6.553 1.00 0.82 H new ATOM 0 HZ2 TRP A 41 -3.865 -3.843 -6.874 1.00 1.02 H new ATOM 0 HZ3 TRP A 41 -0.393 -4.828 -4.523 1.00 1.01 H new ATOM 0 HH2 TRP A 41 -2.823 -4.359 -4.668 1.00 1.11 H new ATOM 602 N LEU A 42 2.390 -2.360 -7.036 1.00 0.52 N ATOM 603 CA LEU A 42 2.232 -1.924 -5.649 1.00 0.56 C ATOM 604 C LEU A 42 2.378 -0.401 -5.491 1.00 0.57 C ATOM 605 O LEU A 42 1.597 0.223 -4.776 1.00 0.61 O ATOM 606 CB LEU A 42 3.303 -2.697 -4.850 1.00 0.71 C ATOM 607 CG LEU A 42 3.358 -2.426 -3.336 1.00 1.21 C ATOM 608 CD1 LEU A 42 2.055 -2.814 -2.639 1.00 1.69 C ATOM 609 CD2 LEU A 42 4.496 -3.245 -2.725 1.00 1.89 C ATOM 0 H LEU A 42 3.053 -3.130 -7.120 1.00 0.52 H new ATOM 0 HA LEU A 42 1.228 -2.138 -5.282 1.00 0.56 H new ATOM 0 HB2 LEU A 42 3.137 -3.764 -5.000 1.00 0.71 H new ATOM 0 HB3 LEU A 42 4.280 -2.464 -5.274 1.00 0.71 H new ATOM 0 HG LEU A 42 3.518 -1.357 -3.194 1.00 1.21 H new ATOM 0 HD11 LEU A 42 2.137 -2.606 -1.572 1.00 1.69 H new ATOM 0 HD12 LEU A 42 1.232 -2.236 -3.059 1.00 1.69 H new ATOM 0 HD13 LEU A 42 1.865 -3.877 -2.788 1.00 1.69 H new ATOM 0 HD21 LEU A 42 4.543 -3.059 -1.652 1.00 1.89 H new ATOM 0 HD22 LEU A 42 4.317 -4.305 -2.902 1.00 1.89 H new ATOM 0 HD23 LEU A 42 5.441 -2.955 -3.185 1.00 1.89 H new ATOM 621 N VAL A 43 3.354 0.193 -6.191 1.00 0.61 N ATOM 622 CA VAL A 43 3.707 1.620 -6.099 1.00 0.66 C ATOM 623 C VAL A 43 2.771 2.517 -6.914 1.00 0.69 C ATOM 624 O VAL A 43 2.626 3.703 -6.613 1.00 0.97 O ATOM 625 CB VAL A 43 5.182 1.868 -6.498 1.00 0.72 C ATOM 626 CG1 VAL A 43 5.699 3.181 -5.893 1.00 1.05 C ATOM 627 CG2 VAL A 43 6.112 0.740 -6.029 1.00 0.99 C ATOM 0 H VAL A 43 3.936 -0.317 -6.855 1.00 0.61 H new ATOM 0 HA VAL A 43 3.582 1.894 -5.051 1.00 0.66 H new ATOM 0 HB VAL A 43 5.194 1.913 -7.587 1.00 0.72 H new ATOM 0 HG11 VAL A 43 6.737 3.333 -6.187 1.00 1.05 H new ATOM 0 HG12 VAL A 43 5.094 4.012 -6.255 1.00 1.05 H new ATOM 0 HG13 VAL A 43 5.634 3.131 -4.806 1.00 1.05 H new ATOM 0 HG21 VAL A 43 7.135 0.962 -6.334 1.00 0.99 H new ATOM 0 HG22 VAL A 43 6.066 0.659 -4.943 1.00 0.99 H new ATOM 0 HG23 VAL A 43 5.796 -0.202 -6.477 1.00 0.99 H new ATOM 637 N ARG A 44 2.106 1.971 -7.941 1.00 0.58 N ATOM 638 CA ARG A 44 0.987 2.634 -8.633 1.00 0.61 C ATOM 639 C ARG A 44 -0.267 2.583 -7.758 1.00 0.57 C ATOM 640 O ARG A 44 -0.845 3.618 -7.442 1.00 0.67 O ATOM 641 CB ARG A 44 0.783 1.968 -10.005 1.00 0.65 C ATOM 642 CG ARG A 44 -0.176 2.749 -10.912 1.00 1.69 C ATOM 643 CD ARG A 44 -0.379 1.985 -12.227 1.00 2.28 C ATOM 644 NE ARG A 44 -1.251 2.714 -13.160 1.00 3.19 N ATOM 645 CZ ARG A 44 -0.845 3.555 -14.128 1.00 3.51 C ATOM 646 NH1 ARG A 44 0.453 3.848 -14.315 1.00 3.53 N ATOM 647 NH2 ARG A 44 -1.762 4.114 -14.928 1.00 4.68 N ATOM 0 H ARG A 44 2.329 1.050 -8.319 1.00 0.58 H new ATOM 0 HA ARG A 44 1.209 3.687 -8.805 1.00 0.61 H new ATOM 0 HB2 ARG A 44 1.748 1.871 -10.503 1.00 0.65 H new ATOM 0 HB3 ARG A 44 0.397 0.959 -9.859 1.00 0.65 H new ATOM 0 HG2 ARG A 44 -1.133 2.890 -10.410 1.00 1.69 H new ATOM 0 HG3 ARG A 44 0.227 3.741 -11.115 1.00 1.69 H new ATOM 0 HD2 ARG A 44 0.589 1.810 -12.697 1.00 2.28 H new ATOM 0 HD3 ARG A 44 -0.812 1.007 -12.015 1.00 2.28 H new ATOM 0 HE ARG A 44 -2.256 2.569 -13.064 1.00 3.19 H new ATOM 0 HH11 ARG A 44 1.162 3.429 -13.714 1.00 3.53 H new ATOM 0 HH12 ARG A 44 0.729 4.490 -15.058 1.00 3.53 H new ATOM 0 HH21 ARG A 44 -2.751 3.900 -14.798 1.00 4.68 H new ATOM 0 HH22 ARG A 44 -1.472 4.754 -15.667 1.00 4.68 H new ATOM 661 N TRP A 45 -0.630 1.382 -7.301 1.00 0.54 N ATOM 662 CA TRP A 45 -1.823 1.111 -6.497 1.00 0.59 C ATOM 663 C TRP A 45 -1.936 2.004 -5.259 1.00 0.68 C ATOM 664 O TRP A 45 -2.915 2.737 -5.131 1.00 0.83 O ATOM 665 CB TRP A 45 -1.832 -0.372 -6.106 1.00 0.58 C ATOM 666 CG TRP A 45 -2.821 -0.753 -5.046 1.00 0.65 C ATOM 667 CD1 TRP A 45 -2.500 -1.342 -3.872 1.00 0.87 C ATOM 668 CD2 TRP A 45 -4.273 -0.560 -5.013 1.00 0.66 C ATOM 669 NE1 TRP A 45 -3.654 -1.613 -3.164 1.00 0.99 N ATOM 670 CE2 TRP A 45 -4.772 -1.115 -3.796 1.00 0.84 C ATOM 671 CE3 TRP A 45 -5.221 0.035 -5.876 1.00 0.72 C ATOM 672 CZ2 TRP A 45 -6.132 -1.092 -3.456 1.00 0.96 C ATOM 673 CZ3 TRP A 45 -6.588 0.085 -5.535 1.00 0.90 C ATOM 674 CH2 TRP A 45 -7.046 -0.480 -4.331 1.00 0.98 C ATOM 0 H TRP A 45 -0.082 0.542 -7.488 1.00 0.54 H new ATOM 0 HA TRP A 45 -2.695 1.346 -7.107 1.00 0.59 H new ATOM 0 HB2 TRP A 45 -2.036 -0.964 -6.998 1.00 0.58 H new ATOM 0 HB3 TRP A 45 -0.834 -0.646 -5.763 1.00 0.58 H new ATOM 0 HD1 TRP A 45 -1.497 -1.566 -3.540 1.00 0.87 H new ATOM 0 HE1 TRP A 45 -3.676 -2.121 -2.280 1.00 0.99 H new ATOM 0 HE3 TRP A 45 -4.892 0.459 -6.813 1.00 0.72 H new ATOM 0 HZ2 TRP A 45 -6.473 -1.539 -2.534 1.00 0.96 H new ATOM 0 HZ3 TRP A 45 -7.290 0.561 -6.204 1.00 0.90 H new ATOM 0 HH2 TRP A 45 -8.096 -0.444 -4.080 1.00 0.98 H new ATOM 685 N LEU A 46 -0.925 2.011 -4.381 1.00 0.70 N ATOM 686 CA LEU A 46 -1.011 2.732 -3.102 1.00 0.90 C ATOM 687 C LEU A 46 -1.014 4.269 -3.247 1.00 0.97 C ATOM 688 O LEU A 46 -1.313 4.975 -2.286 1.00 1.13 O ATOM 689 CB LEU A 46 0.044 2.178 -2.116 1.00 1.04 C ATOM 690 CG LEU A 46 1.302 3.030 -1.867 1.00 1.04 C ATOM 691 CD1 LEU A 46 2.161 2.342 -0.808 1.00 1.78 C ATOM 692 CD2 LEU A 46 2.155 3.113 -3.123 1.00 2.09 C ATOM 0 H LEU A 46 -0.040 1.527 -4.531 1.00 0.70 H new ATOM 0 HA LEU A 46 -1.992 2.537 -2.669 1.00 0.90 H new ATOM 0 HB2 LEU A 46 -0.446 2.014 -1.156 1.00 1.04 H new ATOM 0 HB3 LEU A 46 0.365 1.202 -2.481 1.00 1.04 H new ATOM 0 HG LEU A 46 0.981 4.025 -1.558 1.00 1.04 H new ATOM 0 HD11 LEU A 46 3.056 2.936 -0.623 1.00 1.78 H new ATOM 0 HD12 LEU A 46 1.591 2.246 0.116 1.00 1.78 H new ATOM 0 HD13 LEU A 46 2.450 1.352 -1.161 1.00 1.78 H new ATOM 0 HD21 LEU A 46 3.038 3.720 -2.924 1.00 2.09 H new ATOM 0 HD22 LEU A 46 2.463 2.111 -3.421 1.00 2.09 H new ATOM 0 HD23 LEU A 46 1.576 3.568 -3.927 1.00 2.09 H new ATOM 704 N LYS A 47 -0.674 4.774 -4.441 1.00 0.88 N ATOM 705 CA LYS A 47 -0.572 6.196 -4.794 1.00 0.88 C ATOM 706 C LYS A 47 -1.845 6.731 -5.465 1.00 0.89 C ATOM 707 O LYS A 47 -2.085 7.936 -5.436 1.00 1.19 O ATOM 708 CB LYS A 47 0.677 6.349 -5.686 1.00 0.86 C ATOM 709 CG LYS A 47 1.050 7.812 -5.965 1.00 1.23 C ATOM 710 CD LYS A 47 2.359 7.974 -6.749 1.00 1.26 C ATOM 711 CE LYS A 47 2.302 7.281 -8.114 1.00 2.17 C ATOM 712 NZ LYS A 47 3.475 7.631 -8.945 1.00 2.40 N ATOM 0 H LYS A 47 -0.450 4.167 -5.230 1.00 0.88 H new ATOM 0 HA LYS A 47 -0.469 6.801 -3.893 1.00 0.88 H new ATOM 0 HB2 LYS A 47 1.520 5.852 -5.207 1.00 0.86 H new ATOM 0 HB3 LYS A 47 0.503 5.839 -6.633 1.00 0.86 H new ATOM 0 HG2 LYS A 47 0.241 8.284 -6.523 1.00 1.23 H new ATOM 0 HG3 LYS A 47 1.136 8.343 -5.017 1.00 1.23 H new ATOM 0 HD2 LYS A 47 2.568 9.034 -6.890 1.00 1.26 H new ATOM 0 HD3 LYS A 47 3.183 7.561 -6.167 1.00 1.26 H new ATOM 0 HE2 LYS A 47 2.262 6.201 -7.974 1.00 2.17 H new ATOM 0 HE3 LYS A 47 1.388 7.569 -8.632 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 3.407 7.146 -9.863 1.00 2.40 H new ATOM 0 HZ2 LYS A 47 3.498 8.660 -9.097 1.00 2.40 H new ATOM 0 HZ3 LYS A 47 4.345 7.333 -8.460 1.00 2.40 H new ATOM 726 N VAL A 48 -2.663 5.859 -6.065 1.00 0.72 N ATOM 727 CA VAL A 48 -3.872 6.246 -6.818 1.00 0.73 C ATOM 728 C VAL A 48 -5.043 5.229 -6.673 1.00 0.62 C ATOM 729 O VAL A 48 -5.629 4.777 -7.664 1.00 0.67 O ATOM 730 CB VAL A 48 -3.410 6.611 -8.257 1.00 0.85 C ATOM 731 CG1 VAL A 48 -3.247 5.456 -9.249 1.00 1.84 C ATOM 732 CG2 VAL A 48 -4.290 7.688 -8.873 1.00 1.55 C ATOM 0 H VAL A 48 -2.506 4.851 -6.044 1.00 0.72 H new ATOM 0 HA VAL A 48 -4.347 7.133 -6.398 1.00 0.73 H new ATOM 0 HB VAL A 48 -2.398 6.981 -8.090 1.00 0.85 H new ATOM 0 HG11 VAL A 48 -2.921 5.847 -10.213 1.00 1.84 H new ATOM 0 HG12 VAL A 48 -2.503 4.755 -8.872 1.00 1.84 H new ATOM 0 HG13 VAL A 48 -4.201 4.943 -9.370 1.00 1.84 H new ATOM 0 HG21 VAL A 48 -3.936 7.916 -9.878 1.00 1.55 H new ATOM 0 HG22 VAL A 48 -5.319 7.332 -8.923 1.00 1.55 H new ATOM 0 HG23 VAL A 48 -4.246 8.588 -8.260 1.00 1.55 H new ATOM 742 N PRO A 49 -5.413 4.832 -5.430 1.00 0.60 N ATOM 743 CA PRO A 49 -6.323 3.708 -5.149 1.00 0.62 C ATOM 744 C PRO A 49 -7.814 3.930 -5.482 1.00 0.75 C ATOM 745 O PRO A 49 -8.633 3.056 -5.196 1.00 1.50 O ATOM 746 CB PRO A 49 -6.124 3.391 -3.659 1.00 0.63 C ATOM 747 CG PRO A 49 -5.777 4.756 -3.071 1.00 0.75 C ATOM 748 CD PRO A 49 -4.878 5.324 -4.162 1.00 0.64 C ATOM 0 HA PRO A 49 -6.065 2.883 -5.813 1.00 0.62 H new ATOM 0 HB2 PRO A 49 -7.025 2.973 -3.210 1.00 0.63 H new ATOM 0 HB3 PRO A 49 -5.324 2.667 -3.502 1.00 0.63 H new ATOM 0 HG2 PRO A 49 -6.662 5.370 -2.905 1.00 0.75 H new ATOM 0 HG3 PRO A 49 -5.262 4.674 -2.114 1.00 0.75 H new ATOM 0 HD2 PRO A 49 -4.877 6.414 -4.137 1.00 0.64 H new ATOM 0 HD3 PRO A 49 -3.846 5.001 -4.023 1.00 0.64 H new ATOM 756 N ASP A 50 -8.214 5.062 -6.072 1.00 0.76 N ATOM 757 CA ASP A 50 -9.550 5.230 -6.668 1.00 0.92 C ATOM 758 C ASP A 50 -9.498 5.128 -8.201 1.00 0.97 C ATOM 759 O ASP A 50 -10.282 4.395 -8.809 1.00 1.20 O ATOM 760 CB ASP A 50 -10.172 6.554 -6.204 1.00 1.27 C ATOM 761 CG ASP A 50 -11.527 6.795 -6.867 1.00 1.93 C ATOM 762 OD1 ASP A 50 -12.460 5.982 -6.641 1.00 2.62 O ATOM 763 OD2 ASP A 50 -11.643 7.775 -7.637 1.00 2.82 O ATOM 0 H ASP A 50 -7.623 5.889 -6.151 1.00 0.76 H new ATOM 0 HA ASP A 50 -10.188 4.417 -6.322 1.00 0.92 H new ATOM 0 HB2 ASP A 50 -10.292 6.542 -5.121 1.00 1.27 H new ATOM 0 HB3 ASP A 50 -9.498 7.377 -6.440 1.00 1.27 H new ATOM 768 N GLN A 51 -8.535 5.801 -8.832 1.00 0.94 N ATOM 769 CA GLN A 51 -8.409 5.845 -10.290 1.00 1.00 C ATOM 770 C GLN A 51 -8.042 4.482 -10.895 1.00 0.89 C ATOM 771 O GLN A 51 -8.489 4.164 -11.992 1.00 0.96 O ATOM 772 CB GLN A 51 -7.375 6.914 -10.649 1.00 1.11 C ATOM 773 CG GLN A 51 -7.562 7.531 -12.033 1.00 1.48 C ATOM 774 CD GLN A 51 -6.660 8.753 -12.145 1.00 1.71 C ATOM 775 OE1 GLN A 51 -6.999 9.847 -11.703 1.00 2.20 O ATOM 776 NE2 GLN A 51 -5.462 8.614 -12.658 1.00 2.57 N ATOM 0 H GLN A 51 -7.816 6.334 -8.343 1.00 0.94 H new ATOM 0 HA GLN A 51 -9.378 6.101 -10.719 1.00 1.00 H new ATOM 0 HB2 GLN A 51 -7.416 7.707 -9.902 1.00 1.11 H new ATOM 0 HB3 GLN A 51 -6.380 6.473 -10.592 1.00 1.11 H new ATOM 0 HG2 GLN A 51 -7.314 6.805 -12.808 1.00 1.48 H new ATOM 0 HG3 GLN A 51 -8.604 7.814 -12.183 1.00 1.48 H new ATOM 0 HE21 GLN A 51 -5.168 7.710 -13.029 1.00 2.57 H new ATOM 0 HE22 GLN A 51 -4.824 9.409 -12.686 1.00 2.57 H new ATOM 785 N MET A 52 -7.313 3.628 -10.166 1.00 0.78 N ATOM 786 CA MET A 52 -7.051 2.238 -10.568 1.00 0.71 C ATOM 787 C MET A 52 -8.342 1.419 -10.766 1.00 0.79 C ATOM 788 O MET A 52 -8.442 0.634 -11.713 1.00 0.82 O ATOM 789 CB MET A 52 -6.185 1.583 -9.478 1.00 0.69 C ATOM 790 CG MET A 52 -4.748 2.108 -9.507 1.00 1.45 C ATOM 791 SD MET A 52 -3.715 1.394 -10.807 1.00 1.59 S ATOM 792 CE MET A 52 -3.236 -0.144 -9.980 1.00 1.10 C ATOM 0 H MET A 52 -6.885 3.882 -9.276 1.00 0.78 H new ATOM 0 HA MET A 52 -6.540 2.251 -11.531 1.00 0.71 H new ATOM 0 HB2 MET A 52 -6.624 1.777 -8.499 1.00 0.69 H new ATOM 0 HB3 MET A 52 -6.181 0.502 -9.617 1.00 0.69 H new ATOM 0 HG2 MET A 52 -4.773 3.190 -9.633 1.00 1.45 H new ATOM 0 HG3 MET A 52 -4.283 1.910 -8.541 1.00 1.45 H new ATOM 0 HE1 MET A 52 -2.603 -0.732 -10.644 1.00 1.10 H new ATOM 0 HE2 MET A 52 -2.687 0.089 -9.068 1.00 1.10 H new ATOM 0 HE3 MET A 52 -4.129 -0.716 -9.729 1.00 1.10 H new ATOM 802 N LEU A 53 -9.351 1.635 -9.911 1.00 0.90 N ATOM 803 CA LEU A 53 -10.652 0.958 -9.991 1.00 0.98 C ATOM 804 C LEU A 53 -11.553 1.539 -11.098 1.00 1.08 C ATOM 805 O LEU A 53 -12.466 0.870 -11.594 1.00 1.06 O ATOM 806 CB LEU A 53 -11.347 1.009 -8.617 1.00 1.07 C ATOM 807 CG LEU A 53 -10.566 0.329 -7.474 1.00 1.08 C ATOM 808 CD1 LEU A 53 -11.239 0.624 -6.137 1.00 1.77 C ATOM 809 CD2 LEU A 53 -10.464 -1.186 -7.643 1.00 2.16 C ATOM 0 H LEU A 53 -9.285 2.293 -9.135 1.00 0.90 H new ATOM 0 HA LEU A 53 -10.473 -0.082 -10.263 1.00 0.98 H new ATOM 0 HB2 LEU A 53 -11.519 2.052 -8.351 1.00 1.07 H new ATOM 0 HB3 LEU A 53 -12.325 0.536 -8.702 1.00 1.07 H new ATOM 0 HG LEU A 53 -9.556 0.739 -7.502 1.00 1.08 H new ATOM 0 HD11 LEU A 53 -10.682 0.140 -5.335 1.00 1.77 H new ATOM 0 HD12 LEU A 53 -11.257 1.701 -5.969 1.00 1.77 H new ATOM 0 HD13 LEU A 53 -12.260 0.242 -6.151 1.00 1.77 H new ATOM 0 HD21 LEU A 53 -9.904 -1.608 -6.809 1.00 2.16 H new ATOM 0 HD22 LEU A 53 -11.465 -1.618 -7.664 1.00 2.16 H new ATOM 0 HD23 LEU A 53 -9.951 -1.414 -8.577 1.00 2.16 H new ATOM 821 N ALA A 54 -11.287 2.776 -11.524 1.00 1.23 N ATOM 822 CA ALA A 54 -11.853 3.329 -12.748 1.00 1.47 C ATOM 823 C ALA A 54 -11.160 2.745 -13.993 1.00 1.50 C ATOM 824 O ALA A 54 -11.846 2.268 -14.899 1.00 1.85 O ATOM 825 CB ALA A 54 -11.785 4.856 -12.686 1.00 1.67 C ATOM 0 H ALA A 54 -10.672 3.420 -11.027 1.00 1.23 H new ATOM 0 HA ALA A 54 -12.902 3.044 -12.833 1.00 1.47 H new ATOM 0 HB1 ALA A 54 -12.207 5.276 -13.599 1.00 1.67 H new ATOM 0 HB2 ALA A 54 -12.354 5.211 -11.826 1.00 1.67 H new ATOM 0 HB3 ALA A 54 -10.746 5.170 -12.588 1.00 1.67 H new ATOM 831 N GLU A 55 -9.822 2.722 -14.041 1.00 1.27 N ATOM 832 CA GLU A 55 -9.071 2.421 -15.269 1.00 1.30 C ATOM 833 C GLU A 55 -9.290 0.985 -15.771 1.00 1.52 C ATOM 834 O GLU A 55 -9.659 0.818 -16.936 1.00 1.55 O ATOM 835 CB GLU A 55 -7.584 2.832 -15.141 1.00 1.21 C ATOM 836 CG GLU A 55 -6.606 1.840 -14.489 1.00 1.34 C ATOM 837 CD GLU A 55 -5.162 2.373 -14.427 1.00 2.02 C ATOM 838 OE1 GLU A 55 -4.945 3.613 -14.411 1.00 2.45 O ATOM 839 OE2 GLU A 55 -4.213 1.551 -14.420 1.00 3.17 O ATOM 0 H GLU A 55 -9.230 2.911 -13.232 1.00 1.27 H new ATOM 0 HA GLU A 55 -9.484 3.044 -16.062 1.00 1.30 H new ATOM 0 HB2 GLU A 55 -7.214 3.055 -16.142 1.00 1.21 H new ATOM 0 HB3 GLU A 55 -7.544 3.761 -14.572 1.00 1.21 H new ATOM 0 HG2 GLU A 55 -6.947 1.612 -13.479 1.00 1.34 H new ATOM 0 HG3 GLU A 55 -6.619 0.905 -15.048 1.00 1.34 H new ATOM 846 N LYS A 56 -9.101 -0.025 -14.904 1.00 2.00 N ATOM 847 CA LYS A 56 -9.494 -1.450 -15.067 1.00 2.04 C ATOM 848 C LYS A 56 -8.891 -2.371 -14.000 1.00 1.25 C ATOM 849 O LYS A 56 -9.390 -3.480 -13.841 1.00 1.97 O ATOM 850 CB LYS A 56 -9.090 -2.052 -16.440 1.00 3.52 C ATOM 851 CG LYS A 56 -7.587 -1.996 -16.783 1.00 6.24 C ATOM 852 CD LYS A 56 -7.368 -2.522 -18.209 1.00 7.82 C ATOM 853 CE LYS A 56 -5.917 -2.433 -18.695 1.00 10.23 C ATOM 854 NZ LYS A 56 -5.447 -1.034 -18.845 1.00 11.24 N ATOM 0 H LYS A 56 -8.639 0.135 -14.009 1.00 2.00 H new ATOM 0 HA LYS A 56 -10.579 -1.414 -14.974 1.00 2.04 H new ATOM 0 HB2 LYS A 56 -9.411 -3.093 -16.467 1.00 3.52 H new ATOM 0 HB3 LYS A 56 -9.641 -1.528 -17.221 1.00 3.52 H new ATOM 0 HG2 LYS A 56 -7.222 -0.972 -16.702 1.00 6.24 H new ATOM 0 HG3 LYS A 56 -7.018 -2.595 -16.072 1.00 6.24 H new ATOM 0 HD2 LYS A 56 -7.692 -3.562 -18.254 1.00 7.82 H new ATOM 0 HD3 LYS A 56 -8.004 -1.960 -18.893 1.00 7.82 H new ATOM 0 HE2 LYS A 56 -5.270 -2.956 -17.991 1.00 10.23 H new ATOM 0 HE3 LYS A 56 -5.827 -2.947 -19.652 1.00 10.23 H new ATOM 0 HZ1 LYS A 56 -4.467 -1.032 -19.192 1.00 11.24 H new ATOM 0 HZ2 LYS A 56 -6.055 -0.534 -19.525 1.00 11.24 H new ATOM 0 HZ3 LYS A 56 -5.489 -0.553 -17.924 1.00 11.24 H new ATOM 868 N ASP A 57 -7.796 -1.943 -13.370 1.00 1.03 N ATOM 869 CA ASP A 57 -6.728 -2.765 -12.792 1.00 1.08 C ATOM 870 C ASP A 57 -7.249 -3.963 -11.990 1.00 1.00 C ATOM 871 O ASP A 57 -7.659 -3.842 -10.835 1.00 0.93 O ATOM 872 CB ASP A 57 -5.766 -1.907 -11.967 1.00 1.10 C ATOM 873 CG ASP A 57 -4.441 -2.655 -11.846 1.00 1.58 C ATOM 874 OD1 ASP A 57 -4.356 -3.649 -11.088 1.00 2.48 O ATOM 875 OD2 ASP A 57 -3.511 -2.297 -12.602 1.00 2.14 O ATOM 0 H ASP A 57 -7.618 -0.947 -13.241 1.00 1.03 H new ATOM 0 HA ASP A 57 -6.177 -3.191 -13.630 1.00 1.08 H new ATOM 0 HB2 ASP A 57 -5.614 -0.940 -12.446 1.00 1.10 H new ATOM 0 HB3 ASP A 57 -6.183 -1.711 -10.979 1.00 1.10 H new ATOM 880 N PRO A 58 -7.291 -5.136 -12.630 1.00 1.09 N ATOM 881 CA PRO A 58 -8.258 -6.164 -12.266 1.00 1.09 C ATOM 882 C PRO A 58 -7.866 -6.919 -10.991 1.00 1.26 C ATOM 883 O PRO A 58 -8.732 -7.430 -10.281 1.00 2.02 O ATOM 884 CB PRO A 58 -8.304 -7.026 -13.518 1.00 1.21 C ATOM 885 CG PRO A 58 -6.889 -6.930 -14.088 1.00 1.36 C ATOM 886 CD PRO A 58 -6.641 -5.454 -13.898 1.00 1.28 C ATOM 0 HA PRO A 58 -9.240 -5.773 -12.000 1.00 1.09 H new ATOM 0 HB2 PRO A 58 -8.570 -8.057 -13.283 1.00 1.21 H new ATOM 0 HB3 PRO A 58 -9.046 -6.659 -14.228 1.00 1.21 H new ATOM 0 HG2 PRO A 58 -6.175 -7.548 -13.543 1.00 1.36 H new ATOM 0 HG3 PRO A 58 -6.838 -7.232 -15.134 1.00 1.36 H new ATOM 0 HD2 PRO A 58 -5.574 -5.232 -13.864 1.00 1.28 H new ATOM 0 HD3 PRO A 58 -7.062 -4.872 -14.717 1.00 1.28 H new ATOM 894 N LEU A 59 -6.571 -6.901 -10.661 1.00 0.91 N ATOM 895 CA LEU A 59 -6.029 -7.306 -9.360 1.00 0.92 C ATOM 896 C LEU A 59 -6.583 -6.432 -8.224 1.00 0.82 C ATOM 897 O LEU A 59 -6.971 -6.953 -7.181 1.00 0.88 O ATOM 898 CB LEU A 59 -4.490 -7.232 -9.436 1.00 1.03 C ATOM 899 CG LEU A 59 -3.739 -7.581 -8.136 1.00 1.24 C ATOM 900 CD1 LEU A 59 -4.044 -8.992 -7.641 1.00 1.35 C ATOM 901 CD2 LEU A 59 -2.232 -7.503 -8.380 1.00 1.81 C ATOM 0 H LEU A 59 -5.848 -6.595 -11.312 1.00 0.91 H new ATOM 0 HA LEU A 59 -6.335 -8.328 -9.134 1.00 0.92 H new ATOM 0 HB2 LEU A 59 -4.151 -7.906 -10.222 1.00 1.03 H new ATOM 0 HB3 LEU A 59 -4.208 -6.223 -9.737 1.00 1.03 H new ATOM 0 HG LEU A 59 -4.070 -6.864 -7.384 1.00 1.24 H new ATOM 0 HD11 LEU A 59 -3.488 -9.184 -6.723 1.00 1.35 H new ATOM 0 HD12 LEU A 59 -5.112 -9.086 -7.445 1.00 1.35 H new ATOM 0 HD13 LEU A 59 -3.750 -9.716 -8.401 1.00 1.35 H new ATOM 0 HD21 LEU A 59 -1.701 -7.750 -7.460 1.00 1.81 H new ATOM 0 HD22 LEU A 59 -1.953 -8.210 -9.161 1.00 1.81 H new ATOM 0 HD23 LEU A 59 -1.966 -6.493 -8.693 1.00 1.81 H new ATOM 913 N ALA A 60 -6.688 -5.115 -8.422 1.00 0.71 N ATOM 914 CA ALA A 60 -7.333 -4.237 -7.450 1.00 0.64 C ATOM 915 C ALA A 60 -8.861 -4.400 -7.430 1.00 0.59 C ATOM 916 O ALA A 60 -9.442 -4.470 -6.350 1.00 0.70 O ATOM 917 CB ALA A 60 -6.930 -2.792 -7.703 1.00 0.67 C ATOM 0 H ALA A 60 -6.333 -4.636 -9.249 1.00 0.71 H new ATOM 0 HA ALA A 60 -6.985 -4.530 -6.459 1.00 0.64 H new ATOM 0 HB1 ALA A 60 -7.416 -2.145 -6.973 1.00 0.67 H new ATOM 0 HB2 ALA A 60 -5.848 -2.694 -7.610 1.00 0.67 H new ATOM 0 HB3 ALA A 60 -7.236 -2.499 -8.707 1.00 0.67 H new ATOM 923 N MET A 61 -9.504 -4.536 -8.598 1.00 0.57 N ATOM 924 CA MET A 61 -10.951 -4.802 -8.710 1.00 0.65 C ATOM 925 C MET A 61 -11.377 -6.051 -7.923 1.00 0.73 C ATOM 926 O MET A 61 -12.471 -6.081 -7.353 1.00 0.89 O ATOM 927 CB MET A 61 -11.345 -4.991 -10.181 1.00 0.77 C ATOM 928 CG MET A 61 -11.035 -3.779 -11.061 1.00 0.77 C ATOM 929 SD MET A 61 -11.956 -2.282 -10.659 1.00 1.55 S ATOM 930 CE MET A 61 -13.510 -2.735 -11.436 1.00 1.85 C ATOM 0 H MET A 61 -9.034 -4.465 -9.500 1.00 0.57 H new ATOM 0 HA MET A 61 -11.462 -3.937 -8.286 1.00 0.65 H new ATOM 0 HB2 MET A 61 -10.823 -5.861 -10.579 1.00 0.77 H new ATOM 0 HB3 MET A 61 -12.412 -5.206 -10.237 1.00 0.77 H new ATOM 0 HG2 MET A 61 -9.969 -3.561 -10.989 1.00 0.77 H new ATOM 0 HG3 MET A 61 -11.237 -4.043 -12.099 1.00 0.77 H new ATOM 0 HE1 MET A 61 -13.739 -2.027 -12.232 1.00 1.85 H new ATOM 0 HE2 MET A 61 -13.429 -3.738 -11.855 1.00 1.85 H new ATOM 0 HE3 MET A 61 -14.307 -2.716 -10.693 1.00 1.85 H new ATOM 940 N LEU A 62 -10.496 -7.054 -7.860 1.00 0.75 N ATOM 941 CA LEU A 62 -10.611 -8.230 -7.021 1.00 0.92 C ATOM 942 C LEU A 62 -10.315 -7.917 -5.549 1.00 1.01 C ATOM 943 O LEU A 62 -11.149 -8.204 -4.692 1.00 1.29 O ATOM 944 CB LEU A 62 -9.620 -9.261 -7.570 1.00 1.02 C ATOM 945 CG LEU A 62 -9.658 -10.612 -6.849 1.00 1.84 C ATOM 946 CD1 LEU A 62 -10.975 -11.362 -7.070 1.00 2.84 C ATOM 947 CD2 LEU A 62 -8.515 -11.484 -7.355 1.00 2.22 C ATOM 0 H LEU A 62 -9.646 -7.059 -8.423 1.00 0.75 H new ATOM 0 HA LEU A 62 -11.632 -8.610 -7.046 1.00 0.92 H new ATOM 0 HB2 LEU A 62 -9.827 -9.420 -8.628 1.00 1.02 H new ATOM 0 HB3 LEU A 62 -8.612 -8.853 -7.501 1.00 1.02 H new ATOM 0 HG LEU A 62 -9.562 -10.409 -5.782 1.00 1.84 H new ATOM 0 HD11 LEU A 62 -10.947 -12.312 -6.537 1.00 2.84 H new ATOM 0 HD12 LEU A 62 -11.803 -10.760 -6.696 1.00 2.84 H new ATOM 0 HD13 LEU A 62 -11.114 -11.548 -8.135 1.00 2.84 H new ATOM 0 HD21 LEU A 62 -8.538 -12.447 -6.844 1.00 2.22 H new ATOM 0 HD22 LEU A 62 -8.624 -11.640 -8.428 1.00 2.22 H new ATOM 0 HD23 LEU A 62 -7.564 -10.990 -7.155 1.00 2.22 H new ATOM 959 N LEU A 63 -9.141 -7.352 -5.234 1.00 0.88 N ATOM 960 CA LEU A 63 -8.677 -7.294 -3.842 1.00 1.04 C ATOM 961 C LEU A 63 -9.533 -6.328 -3.021 1.00 1.06 C ATOM 962 O LEU A 63 -9.832 -6.600 -1.861 1.00 1.28 O ATOM 963 CB LEU A 63 -7.156 -7.057 -3.783 1.00 1.11 C ATOM 964 CG LEU A 63 -6.696 -5.589 -3.789 1.00 1.62 C ATOM 965 CD1 LEU A 63 -6.658 -5.011 -2.375 1.00 2.60 C ATOM 966 CD2 LEU A 63 -5.289 -5.475 -4.355 1.00 2.16 C ATOM 0 H LEU A 63 -8.504 -6.935 -5.913 1.00 0.88 H new ATOM 0 HA LEU A 63 -8.822 -8.260 -3.359 1.00 1.04 H new ATOM 0 HB2 LEU A 63 -6.770 -7.533 -2.882 1.00 1.11 H new ATOM 0 HB3 LEU A 63 -6.697 -7.563 -4.632 1.00 1.11 H new ATOM 0 HG LEU A 63 -7.411 -5.039 -4.401 1.00 1.62 H new ATOM 0 HD11 LEU A 63 -6.329 -3.973 -2.415 1.00 2.60 H new ATOM 0 HD12 LEU A 63 -7.654 -5.059 -1.935 1.00 2.60 H new ATOM 0 HD13 LEU A 63 -5.964 -5.588 -1.765 1.00 2.60 H new ATOM 0 HD21 LEU A 63 -4.979 -4.430 -4.352 1.00 2.16 H new ATOM 0 HD22 LEU A 63 -4.602 -6.059 -3.742 1.00 2.16 H new ATOM 0 HD23 LEU A 63 -5.276 -5.854 -5.377 1.00 2.16 H new ATOM 978 N PHE A 64 -9.982 -5.228 -3.627 1.00 0.91 N ATOM 979 CA PHE A 64 -10.744 -4.213 -2.896 1.00 1.01 C ATOM 980 C PHE A 64 -12.128 -4.746 -2.501 1.00 1.19 C ATOM 981 O PHE A 64 -12.574 -4.518 -1.381 1.00 1.39 O ATOM 982 CB PHE A 64 -10.782 -2.876 -3.659 1.00 0.94 C ATOM 983 CG PHE A 64 -12.102 -2.507 -4.315 1.00 1.00 C ATOM 984 CD1 PHE A 64 -12.513 -3.129 -5.508 1.00 1.97 C ATOM 985 CD2 PHE A 64 -12.925 -1.530 -3.731 1.00 1.99 C ATOM 986 CE1 PHE A 64 -13.727 -2.762 -6.118 1.00 2.07 C ATOM 987 CE2 PHE A 64 -14.126 -1.142 -4.344 1.00 2.06 C ATOM 988 CZ PHE A 64 -14.532 -1.762 -5.542 1.00 1.30 C ATOM 0 H PHE A 64 -9.833 -5.017 -4.614 1.00 0.91 H new ATOM 0 HA PHE A 64 -10.229 -3.995 -1.961 1.00 1.01 H new ATOM 0 HB2 PHE A 64 -10.511 -2.080 -2.966 1.00 0.94 H new ATOM 0 HB3 PHE A 64 -10.013 -2.902 -4.431 1.00 0.94 H new ATOM 0 HD1 PHE A 64 -11.894 -3.891 -5.958 1.00 1.97 H new ATOM 0 HD2 PHE A 64 -12.630 -1.072 -2.799 1.00 1.99 H new ATOM 0 HE1 PHE A 64 -14.041 -3.249 -7.030 1.00 2.07 H new ATOM 0 HE2 PHE A 64 -14.737 -0.371 -3.899 1.00 2.06 H new ATOM 0 HZ PHE A 64 -15.457 -1.471 -6.016 1.00 1.30 H new ATOM 998 N GLU A 65 -12.766 -5.529 -3.375 1.00 1.18 N ATOM 999 CA GLU A 65 -14.008 -6.246 -3.135 1.00 1.32 C ATOM 1000 C GLU A 65 -13.801 -7.363 -2.098 1.00 1.42 C ATOM 1001 O GLU A 65 -14.559 -7.454 -1.128 1.00 1.70 O ATOM 1002 CB GLU A 65 -14.438 -6.768 -4.516 1.00 1.27 C ATOM 1003 CG GLU A 65 -15.555 -7.802 -4.532 1.00 1.64 C ATOM 1004 CD GLU A 65 -16.945 -7.184 -4.377 1.00 2.73 C ATOM 1005 OE1 GLU A 65 -17.405 -6.974 -3.227 1.00 3.94 O ATOM 1006 OE2 GLU A 65 -17.612 -6.913 -5.404 1.00 3.36 O ATOM 0 H GLU A 65 -12.406 -5.684 -4.317 1.00 1.18 H new ATOM 0 HA GLU A 65 -14.788 -5.616 -2.707 1.00 1.32 H new ATOM 0 HB2 GLU A 65 -14.752 -5.917 -5.120 1.00 1.27 H new ATOM 0 HB3 GLU A 65 -13.565 -7.201 -5.004 1.00 1.27 H new ATOM 0 HG2 GLU A 65 -15.514 -8.359 -5.468 1.00 1.64 H new ATOM 0 HG3 GLU A 65 -15.390 -8.519 -3.727 1.00 1.64 H new ATOM 1013 N GLN A 66 -12.758 -8.183 -2.255 1.00 1.32 N ATOM 1014 CA GLN A 66 -12.532 -9.376 -1.431 1.00 1.43 C ATOM 1015 C GLN A 66 -11.987 -9.069 -0.024 1.00 1.25 C ATOM 1016 O GLN A 66 -12.189 -9.881 0.883 1.00 1.51 O ATOM 1017 CB GLN A 66 -11.640 -10.369 -2.197 1.00 1.68 C ATOM 1018 CG GLN A 66 -12.304 -10.942 -3.464 1.00 2.69 C ATOM 1019 CD GLN A 66 -13.370 -11.992 -3.170 1.00 3.51 C ATOM 1020 OE1 GLN A 66 -14.481 -11.703 -2.734 1.00 4.68 O ATOM 1021 NE2 GLN A 66 -13.087 -13.252 -3.415 1.00 3.80 N ATOM 0 H GLN A 66 -12.039 -8.037 -2.964 1.00 1.32 H new ATOM 0 HA GLN A 66 -13.504 -9.834 -1.250 1.00 1.43 H new ATOM 0 HB2 GLN A 66 -10.712 -9.870 -2.477 1.00 1.68 H new ATOM 0 HB3 GLN A 66 -11.372 -11.191 -1.533 1.00 1.68 H new ATOM 0 HG2 GLN A 66 -12.755 -10.126 -4.029 1.00 2.69 H new ATOM 0 HG3 GLN A 66 -11.536 -11.383 -4.099 1.00 2.69 H new ATOM 0 HE21 GLN A 66 -12.168 -13.507 -3.777 1.00 3.80 H new ATOM 0 HE22 GLN A 66 -13.786 -13.975 -3.243 1.00 3.80 H new ATOM 1030 N TYR A 67 -11.419 -7.880 0.211 1.00 1.00 N ATOM 1031 CA TYR A 67 -11.213 -7.298 1.550 1.00 1.07 C ATOM 1032 C TYR A 67 -12.391 -6.382 1.979 1.00 1.22 C ATOM 1033 O TYR A 67 -12.202 -5.364 2.648 1.00 1.52 O ATOM 1034 CB TYR A 67 -9.820 -6.645 1.652 1.00 0.96 C ATOM 1035 CG TYR A 67 -8.634 -7.584 1.450 1.00 0.96 C ATOM 1036 CD1 TYR A 67 -8.363 -8.616 2.372 1.00 1.91 C ATOM 1037 CD2 TYR A 67 -7.758 -7.385 0.365 1.00 2.01 C ATOM 1038 CE1 TYR A 67 -7.228 -9.441 2.209 1.00 2.05 C ATOM 1039 CE2 TYR A 67 -6.629 -8.208 0.194 1.00 2.06 C ATOM 1040 CZ TYR A 67 -6.354 -9.234 1.117 1.00 1.28 C ATOM 1041 OH TYR A 67 -5.264 -10.021 0.924 1.00 1.55 O ATOM 0 H TYR A 67 -11.081 -7.279 -0.540 1.00 1.00 H new ATOM 0 HA TYR A 67 -11.220 -8.102 2.285 1.00 1.07 H new ATOM 0 HB2 TYR A 67 -9.758 -5.847 0.913 1.00 0.96 H new ATOM 0 HB3 TYR A 67 -9.728 -6.179 2.633 1.00 0.96 H new ATOM 0 HD1 TYR A 67 -9.027 -8.777 3.208 1.00 1.91 H new ATOM 0 HD2 TYR A 67 -7.955 -6.593 -0.343 1.00 2.01 H new ATOM 0 HE1 TYR A 67 -7.028 -10.230 2.919 1.00 2.05 H new ATOM 0 HE2 TYR A 67 -5.972 -8.052 -0.648 1.00 2.06 H new ATOM 0 HH TYR A 67 -5.463 -10.694 0.240 1.00 1.55 H new ATOM 1051 N ASN A 68 -13.622 -6.779 1.622 1.00 1.36 N ATOM 1052 CA ASN A 68 -14.915 -6.227 2.061 1.00 1.48 C ATOM 1053 C ASN A 68 -15.298 -4.814 1.547 1.00 1.35 C ATOM 1054 O ASN A 68 -15.956 -4.036 2.246 1.00 1.33 O ATOM 1055 CB ASN A 68 -15.070 -6.437 3.578 1.00 1.63 C ATOM 1056 CG ASN A 68 -16.507 -6.375 4.062 1.00 2.31 C ATOM 1057 OD1 ASN A 68 -17.463 -6.401 3.299 1.00 2.94 O ATOM 1058 ND2 ASN A 68 -16.690 -6.314 5.355 1.00 2.53 N ATOM 0 H ASN A 68 -13.750 -7.553 0.970 1.00 1.36 H new ATOM 0 HA ASN A 68 -15.682 -6.805 1.546 1.00 1.48 H new ATOM 0 HB2 ASN A 68 -14.648 -7.405 3.846 1.00 1.63 H new ATOM 0 HB3 ASN A 68 -14.487 -5.679 4.102 1.00 1.63 H new ATOM 0 HD21 ASN A 68 -17.636 -6.288 5.736 1.00 2.53 H new ATOM 0 HD22 ASN A 68 -15.887 -6.293 5.983 1.00 2.53 H new ATOM 1065 N ARG A 69 -14.895 -4.489 0.310 1.00 1.40 N ATOM 1066 CA ARG A 69 -15.309 -3.320 -0.510 1.00 1.45 C ATOM 1067 C ARG A 69 -15.253 -1.936 0.159 1.00 1.46 C ATOM 1068 O ARG A 69 -15.945 -1.007 -0.253 1.00 2.00 O ATOM 1069 CB ARG A 69 -16.632 -3.641 -1.240 1.00 1.60 C ATOM 1070 CG ARG A 69 -16.714 -2.953 -2.619 1.00 2.71 C ATOM 1071 CD ARG A 69 -17.887 -3.446 -3.474 1.00 2.48 C ATOM 1072 NE ARG A 69 -19.194 -3.144 -2.868 1.00 2.93 N ATOM 1073 CZ ARG A 69 -20.279 -3.934 -2.903 1.00 3.27 C ATOM 1074 NH1 ARG A 69 -20.260 -5.140 -3.488 1.00 3.46 N ATOM 1075 NH2 ARG A 69 -21.411 -3.497 -2.337 1.00 4.48 N ATOM 0 H ARG A 69 -14.223 -5.072 -0.188 1.00 1.40 H new ATOM 0 HA ARG A 69 -14.525 -3.183 -1.254 1.00 1.45 H new ATOM 0 HB2 ARG A 69 -16.723 -4.720 -1.367 1.00 1.60 H new ATOM 0 HB3 ARG A 69 -17.473 -3.320 -0.625 1.00 1.60 H new ATOM 0 HG2 ARG A 69 -16.806 -1.876 -2.475 1.00 2.71 H new ATOM 0 HG3 ARG A 69 -15.783 -3.124 -3.159 1.00 2.71 H new ATOM 0 HD2 ARG A 69 -17.832 -2.985 -4.460 1.00 2.48 H new ATOM 0 HD3 ARG A 69 -17.798 -4.522 -3.620 1.00 2.48 H new ATOM 0 HE ARG A 69 -19.283 -2.254 -2.377 1.00 2.93 H new ATOM 0 HH11 ARG A 69 -19.404 -5.482 -3.924 1.00 3.46 H new ATOM 0 HH12 ARG A 69 -21.102 -5.716 -3.497 1.00 3.46 H new ATOM 0 HH21 ARG A 69 -21.437 -2.580 -1.891 1.00 4.48 H new ATOM 0 HH22 ARG A 69 -22.247 -4.081 -2.352 1.00 4.48 H new ATOM 1089 N LEU A 70 -14.363 -1.772 1.140 1.00 1.22 N ATOM 1090 CA LEU A 70 -14.060 -0.483 1.779 1.00 1.21 C ATOM 1091 C LEU A 70 -13.278 0.469 0.853 1.00 1.25 C ATOM 1092 O LEU A 70 -13.321 1.688 1.033 1.00 2.38 O ATOM 1093 CB LEU A 70 -13.268 -0.782 3.067 1.00 1.22 C ATOM 1094 CG LEU A 70 -12.931 0.441 3.945 1.00 1.45 C ATOM 1095 CD1 LEU A 70 -14.172 1.214 4.394 1.00 2.59 C ATOM 1096 CD2 LEU A 70 -12.182 -0.041 5.186 1.00 2.00 C ATOM 0 H LEU A 70 -13.820 -2.546 1.523 1.00 1.22 H new ATOM 0 HA LEU A 70 -14.992 0.035 2.007 1.00 1.21 H new ATOM 0 HB2 LEU A 70 -13.840 -1.490 3.667 1.00 1.22 H new ATOM 0 HB3 LEU A 70 -12.336 -1.276 2.792 1.00 1.22 H new ATOM 0 HG LEU A 70 -12.325 1.118 3.342 1.00 1.45 H new ATOM 0 HD11 LEU A 70 -13.870 2.062 5.008 1.00 2.59 H new ATOM 0 HD12 LEU A 70 -14.713 1.574 3.519 1.00 2.59 H new ATOM 0 HD13 LEU A 70 -14.819 0.557 4.976 1.00 2.59 H new ATOM 0 HD21 LEU A 70 -11.936 0.813 5.817 1.00 2.00 H new ATOM 0 HD22 LEU A 70 -12.810 -0.736 5.743 1.00 2.00 H new ATOM 0 HD23 LEU A 70 -11.264 -0.545 4.884 1.00 2.00 H new ATOM 1108 N ALA A 71 -12.558 -0.094 -0.127 1.00 0.71 N ATOM 1109 CA ALA A 71 -11.465 0.565 -0.846 1.00 0.72 C ATOM 1110 C ALA A 71 -10.387 1.108 0.128 1.00 1.08 C ATOM 1111 O ALA A 71 -10.278 0.647 1.267 1.00 2.37 O ATOM 1112 CB ALA A 71 -12.047 1.610 -1.819 1.00 1.05 C ATOM 0 H ALA A 71 -12.727 -1.047 -0.449 1.00 0.71 H new ATOM 0 HA ALA A 71 -10.928 -0.160 -1.458 1.00 0.72 H new ATOM 0 HB1 ALA A 71 -11.234 2.101 -2.354 1.00 1.05 H new ATOM 0 HB2 ALA A 71 -12.705 1.115 -2.533 1.00 1.05 H new ATOM 0 HB3 ALA A 71 -12.613 2.354 -1.258 1.00 1.05 H new ATOM 1118 N MET A 72 -9.580 2.070 -0.321 1.00 0.60 N ATOM 1119 CA MET A 72 -8.825 2.967 0.560 1.00 0.63 C ATOM 1120 C MET A 72 -8.646 4.350 -0.102 1.00 0.69 C ATOM 1121 O MET A 72 -8.721 4.431 -1.336 1.00 0.71 O ATOM 1122 CB MET A 72 -7.494 2.324 0.996 1.00 0.85 C ATOM 1123 CG MET A 72 -6.454 2.109 -0.105 1.00 1.01 C ATOM 1124 SD MET A 72 -4.930 1.379 0.571 1.00 0.79 S ATOM 1125 CE MET A 72 -3.897 1.426 -0.913 1.00 1.23 C ATOM 0 H MET A 72 -9.430 2.251 -1.313 1.00 0.60 H new ATOM 0 HA MET A 72 -9.395 3.130 1.475 1.00 0.63 H new ATOM 0 HB2 MET A 72 -7.049 2.949 1.770 1.00 0.85 H new ATOM 0 HB3 MET A 72 -7.713 1.359 1.453 1.00 0.85 H new ATOM 0 HG2 MET A 72 -6.864 1.455 -0.875 1.00 1.01 H new ATOM 0 HG3 MET A 72 -6.224 3.061 -0.584 1.00 1.01 H new ATOM 0 HE1 MET A 72 -2.849 1.502 -0.624 1.00 1.23 H new ATOM 0 HE2 MET A 72 -4.049 0.514 -1.491 1.00 1.23 H new ATOM 0 HE3 MET A 72 -4.170 2.290 -1.519 1.00 1.23 H new ATOM 1135 N PRO A 73 -8.441 5.429 0.678 1.00 0.88 N ATOM 1136 CA PRO A 73 -8.374 6.789 0.150 1.00 1.02 C ATOM 1137 C PRO A 73 -7.009 7.152 -0.451 1.00 0.89 C ATOM 1138 O PRO A 73 -5.954 6.823 0.095 1.00 1.01 O ATOM 1139 CB PRO A 73 -8.717 7.707 1.328 1.00 1.30 C ATOM 1140 CG PRO A 73 -8.220 6.916 2.536 1.00 1.29 C ATOM 1141 CD PRO A 73 -8.487 5.466 2.136 1.00 1.06 C ATOM 0 HA PRO A 73 -9.071 6.897 -0.681 1.00 1.02 H new ATOM 0 HB2 PRO A 73 -8.219 8.673 1.245 1.00 1.30 H new ATOM 0 HB3 PRO A 73 -9.787 7.904 1.387 1.00 1.30 H new ATOM 0 HG2 PRO A 73 -7.161 7.093 2.726 1.00 1.29 H new ATOM 0 HG3 PRO A 73 -8.757 7.189 3.445 1.00 1.29 H new ATOM 0 HD2 PRO A 73 -7.739 4.800 2.566 1.00 1.06 H new ATOM 0 HD3 PRO A 73 -9.458 5.134 2.503 1.00 1.06 H new ATOM 1149 N ASN A 74 -7.037 7.925 -1.534 1.00 0.92 N ATOM 1150 CA ASN A 74 -5.995 8.875 -1.908 1.00 1.18 C ATOM 1151 C ASN A 74 -6.168 10.167 -1.096 1.00 1.70 C ATOM 1152 O ASN A 74 -7.287 10.667 -0.925 1.00 2.62 O ATOM 1153 CB ASN A 74 -6.125 9.105 -3.420 1.00 1.29 C ATOM 1154 CG ASN A 74 -5.085 10.024 -4.031 1.00 1.54 C ATOM 1155 OD1 ASN A 74 -4.062 10.357 -3.445 1.00 1.48 O ATOM 1156 ND2 ASN A 74 -5.346 10.432 -5.245 1.00 2.45 N ATOM 0 H ASN A 74 -7.812 7.906 -2.197 1.00 0.92 H new ATOM 0 HA ASN A 74 -4.995 8.502 -1.689 1.00 1.18 H new ATOM 0 HB2 ASN A 74 -6.072 8.139 -3.923 1.00 1.29 H new ATOM 0 HB3 ASN A 74 -7.113 9.517 -3.624 1.00 1.29 H new ATOM 0 HD21 ASN A 74 -4.690 11.044 -5.729 1.00 2.45 H new ATOM 0 HD22 ASN A 74 -6.206 10.138 -5.708 1.00 2.45 H new ATOM 1163 N MET A 75 -5.046 10.701 -0.616 1.00 1.73 N ATOM 1164 CA MET A 75 -4.967 11.937 0.161 1.00 2.27 C ATOM 1165 C MET A 75 -4.066 12.943 -0.571 1.00 2.31 C ATOM 1166 O MET A 75 -4.535 13.641 -1.470 1.00 3.75 O ATOM 1167 CB MET A 75 -4.532 11.651 1.616 1.00 2.70 C ATOM 1168 CG MET A 75 -5.500 10.767 2.412 1.00 2.86 C ATOM 1169 SD MET A 75 -7.153 11.465 2.659 1.00 4.82 S ATOM 1170 CE MET A 75 -7.716 10.409 4.019 1.00 4.43 C ATOM 0 H MET A 75 -4.134 10.269 -0.763 1.00 1.73 H new ATOM 0 HA MET A 75 -5.954 12.392 0.242 1.00 2.27 H new ATOM 0 HB2 MET A 75 -3.553 11.172 1.601 1.00 2.70 H new ATOM 0 HB3 MET A 75 -4.414 12.600 2.139 1.00 2.70 H new ATOM 0 HG2 MET A 75 -5.600 9.811 1.899 1.00 2.86 H new ATOM 0 HG3 MET A 75 -5.060 10.561 3.388 1.00 2.86 H new ATOM 0 HE1 MET A 75 -8.798 10.492 4.120 1.00 4.43 H new ATOM 0 HE2 MET A 75 -7.450 9.373 3.809 1.00 4.43 H new ATOM 0 HE3 MET A 75 -7.239 10.726 4.947 1.00 4.43 H new ATOM 1180 N ARG A 76 -2.780 13.008 -0.195 1.00 1.61 N ATOM 1181 CA ARG A 76 -1.840 14.073 -0.581 1.00 1.67 C ATOM 1182 C ARG A 76 -0.352 13.683 -0.449 1.00 1.37 C ATOM 1183 O ARG A 76 0.481 14.500 -0.059 1.00 1.58 O ATOM 1184 CB ARG A 76 -2.183 15.338 0.250 1.00 2.17 C ATOM 1185 CG ARG A 76 -1.761 16.683 -0.380 1.00 3.67 C ATOM 1186 CD ARG A 76 -2.508 17.032 -1.675 1.00 4.04 C ATOM 1187 NE ARG A 76 -3.948 17.229 -1.442 1.00 4.15 N ATOM 1188 CZ ARG A 76 -4.939 16.934 -2.303 1.00 4.86 C ATOM 1189 NH1 ARG A 76 -4.693 16.402 -3.510 1.00 5.45 N ATOM 1190 NH2 ARG A 76 -6.206 17.177 -1.944 1.00 5.87 N ATOM 0 H ARG A 76 -2.352 12.301 0.403 1.00 1.61 H new ATOM 0 HA ARG A 76 -1.966 14.267 -1.646 1.00 1.67 H new ATOM 0 HB2 ARG A 76 -3.259 15.359 0.420 1.00 2.17 H new ATOM 0 HB3 ARG A 76 -1.708 15.249 1.227 1.00 2.17 H new ATOM 0 HG2 ARG A 76 -1.924 17.479 0.346 1.00 3.67 H new ATOM 0 HG3 ARG A 76 -0.691 16.655 -0.587 1.00 3.67 H new ATOM 0 HD2 ARG A 76 -2.083 17.938 -2.106 1.00 4.04 H new ATOM 0 HD3 ARG A 76 -2.364 16.234 -2.404 1.00 4.04 H new ATOM 0 HE ARG A 76 -4.220 17.627 -0.543 1.00 4.15 H new ATOM 0 HH11 ARG A 76 -3.733 16.210 -3.797 1.00 5.45 H new ATOM 0 HH12 ARG A 76 -5.466 16.189 -4.141 1.00 5.45 H new ATOM 0 HH21 ARG A 76 -6.408 17.580 -1.029 1.00 5.87 H new ATOM 0 HH22 ARG A 76 -6.969 16.959 -2.585 1.00 5.87 H new ATOM 1204 N LEU A 77 0.003 12.420 -0.687 1.00 1.23 N ATOM 1205 CA LEU A 77 1.339 11.880 -0.364 1.00 1.27 C ATOM 1206 C LEU A 77 2.429 12.476 -1.283 1.00 1.52 C ATOM 1207 O LEU A 77 2.281 12.451 -2.508 1.00 1.73 O ATOM 1208 CB LEU A 77 1.334 10.338 -0.462 1.00 1.32 C ATOM 1209 CG LEU A 77 0.626 9.520 0.641 1.00 1.26 C ATOM 1210 CD1 LEU A 77 1.326 9.650 1.994 1.00 2.66 C ATOM 1211 CD2 LEU A 77 -0.853 9.863 0.822 1.00 2.35 C ATOM 0 H LEU A 77 -0.624 11.735 -1.110 1.00 1.23 H new ATOM 0 HA LEU A 77 1.576 12.168 0.660 1.00 1.27 H new ATOM 0 HB2 LEU A 77 0.877 10.070 -1.415 1.00 1.32 H new ATOM 0 HB3 LEU A 77 2.372 10.007 -0.502 1.00 1.32 H new ATOM 0 HG LEU A 77 0.689 8.491 0.286 1.00 1.26 H new ATOM 0 HD11 LEU A 77 0.793 9.058 2.738 1.00 2.66 H new ATOM 0 HD12 LEU A 77 2.351 9.289 1.910 1.00 2.66 H new ATOM 0 HD13 LEU A 77 1.334 10.696 2.300 1.00 2.66 H new ATOM 0 HD21 LEU A 77 -1.275 9.245 1.614 1.00 2.35 H new ATOM 0 HD22 LEU A 77 -0.952 10.915 1.090 1.00 2.35 H new ATOM 0 HD23 LEU A 77 -1.387 9.674 -0.109 1.00 2.35 H new ATOM 1223 N GLY A 78 3.534 12.973 -0.720 1.00 1.63 N ATOM 1224 CA GLY A 78 4.727 13.366 -1.486 1.00 1.90 C ATOM 1225 C GLY A 78 5.478 12.162 -2.074 1.00 1.49 C ATOM 1226 O GLY A 78 5.402 11.058 -1.540 1.00 1.14 O ATOM 0 H GLY A 78 3.630 13.116 0.285 1.00 1.63 H new ATOM 0 HA2 GLY A 78 4.431 14.034 -2.295 1.00 1.90 H new ATOM 0 HA3 GLY A 78 5.400 13.928 -0.839 1.00 1.90 H new ATOM 1230 N ASP A 79 6.257 12.360 -3.137 1.00 1.62 N ATOM 1231 CA ASP A 79 7.039 11.287 -3.783 1.00 1.42 C ATOM 1232 C ASP A 79 8.123 10.725 -2.843 1.00 1.26 C ATOM 1233 O ASP A 79 8.394 9.522 -2.841 1.00 1.34 O ATOM 1234 CB ASP A 79 7.643 11.844 -5.080 1.00 1.61 C ATOM 1235 CG ASP A 79 8.514 10.849 -5.857 1.00 2.45 C ATOM 1236 OD1 ASP A 79 8.095 9.681 -6.048 1.00 3.19 O ATOM 1237 OD2 ASP A 79 9.604 11.270 -6.320 1.00 3.60 O ATOM 0 H ASP A 79 6.369 13.271 -3.582 1.00 1.62 H new ATOM 0 HA ASP A 79 6.383 10.449 -4.018 1.00 1.42 H new ATOM 0 HB2 ASP A 79 6.833 12.181 -5.727 1.00 1.61 H new ATOM 0 HB3 ASP A 79 8.243 12.721 -4.838 1.00 1.61 H new ATOM 1242 N ALA A 80 8.678 11.574 -1.972 1.00 1.40 N ATOM 1243 CA ALA A 80 9.569 11.162 -0.889 1.00 1.43 C ATOM 1244 C ALA A 80 8.839 10.383 0.224 1.00 1.21 C ATOM 1245 O ALA A 80 9.427 9.482 0.826 1.00 1.26 O ATOM 1246 CB ALA A 80 10.256 12.415 -0.335 1.00 1.81 C ATOM 0 H ALA A 80 8.517 12.581 -2.002 1.00 1.40 H new ATOM 0 HA ALA A 80 10.309 10.469 -1.288 1.00 1.43 H new ATOM 0 HB1 ALA A 80 10.927 12.133 0.476 1.00 1.81 H new ATOM 0 HB2 ALA A 80 10.827 12.897 -1.128 1.00 1.81 H new ATOM 0 HB3 ALA A 80 9.502 13.107 0.042 1.00 1.81 H new ATOM 1252 N GLU A 81 7.560 10.672 0.494 1.00 1.12 N ATOM 1253 CA GLU A 81 6.746 9.886 1.438 1.00 1.02 C ATOM 1254 C GLU A 81 6.429 8.505 0.851 1.00 0.75 C ATOM 1255 O GLU A 81 6.649 7.495 1.515 1.00 0.72 O ATOM 1256 CB GLU A 81 5.454 10.626 1.838 1.00 1.19 C ATOM 1257 CG GLU A 81 5.718 11.900 2.651 1.00 1.46 C ATOM 1258 CD GLU A 81 4.421 12.665 2.950 1.00 1.48 C ATOM 1259 OE1 GLU A 81 4.000 13.480 2.091 1.00 2.02 O ATOM 1260 OE2 GLU A 81 3.833 12.486 4.043 1.00 2.39 O ATOM 0 H GLU A 81 7.060 11.452 0.068 1.00 1.12 H new ATOM 0 HA GLU A 81 7.332 9.752 2.347 1.00 1.02 H new ATOM 0 HB2 GLU A 81 4.897 10.885 0.938 1.00 1.19 H new ATOM 0 HB3 GLU A 81 4.823 9.955 2.420 1.00 1.19 H new ATOM 0 HG2 GLU A 81 6.210 11.638 3.588 1.00 1.46 H new ATOM 0 HG3 GLU A 81 6.403 12.546 2.102 1.00 1.46 H new ATOM 1267 N VAL A 82 6.010 8.440 -0.419 1.00 0.68 N ATOM 1268 CA VAL A 82 5.785 7.177 -1.145 1.00 0.63 C ATOM 1269 C VAL A 82 7.067 6.338 -1.195 1.00 0.63 C ATOM 1270 O VAL A 82 7.024 5.149 -0.887 1.00 0.67 O ATOM 1271 CB VAL A 82 5.238 7.439 -2.568 1.00 0.78 C ATOM 1272 CG1 VAL A 82 5.092 6.147 -3.383 1.00 0.95 C ATOM 1273 CG2 VAL A 82 3.850 8.090 -2.512 1.00 0.87 C ATOM 0 H VAL A 82 5.815 9.269 -0.980 1.00 0.68 H new ATOM 0 HA VAL A 82 5.031 6.609 -0.599 1.00 0.63 H new ATOM 0 HB VAL A 82 5.963 8.098 -3.045 1.00 0.78 H new ATOM 0 HG11 VAL A 82 4.705 6.384 -4.374 1.00 0.95 H new ATOM 0 HG12 VAL A 82 6.065 5.666 -3.479 1.00 0.95 H new ATOM 0 HG13 VAL A 82 4.402 5.473 -2.875 1.00 0.95 H new ATOM 0 HG21 VAL A 82 3.488 8.264 -3.526 1.00 0.87 H new ATOM 0 HG22 VAL A 82 3.159 7.429 -1.988 1.00 0.87 H new ATOM 0 HG23 VAL A 82 3.915 9.040 -1.982 1.00 0.87 H new ATOM 1283 N SER A 83 8.216 6.941 -1.514 1.00 0.73 N ATOM 1284 CA SER A 83 9.500 6.225 -1.609 1.00 0.76 C ATOM 1285 C SER A 83 9.944 5.634 -0.262 1.00 0.72 C ATOM 1286 O SER A 83 10.397 4.487 -0.205 1.00 0.74 O ATOM 1287 CB SER A 83 10.599 7.145 -2.157 1.00 0.98 C ATOM 1288 OG SER A 83 10.223 7.707 -3.409 1.00 1.91 O ATOM 0 H SER A 83 8.287 7.939 -1.714 1.00 0.73 H new ATOM 0 HA SER A 83 9.342 5.396 -2.299 1.00 0.76 H new ATOM 0 HB2 SER A 83 10.798 7.943 -1.442 1.00 0.98 H new ATOM 0 HB3 SER A 83 11.525 6.581 -2.272 1.00 0.98 H new ATOM 0 HG SER A 83 9.702 8.523 -3.258 1.00 1.91 H new ATOM 1294 N ALA A 84 9.745 6.365 0.840 1.00 0.78 N ATOM 1295 CA ALA A 84 10.021 5.862 2.185 1.00 0.86 C ATOM 1296 C ALA A 84 9.034 4.754 2.605 1.00 0.81 C ATOM 1297 O ALA A 84 9.458 3.727 3.128 1.00 0.91 O ATOM 1298 CB ALA A 84 10.017 7.047 3.154 1.00 1.00 C ATOM 0 H ALA A 84 9.388 7.320 0.822 1.00 0.78 H new ATOM 0 HA ALA A 84 11.003 5.390 2.202 1.00 0.86 H new ATOM 0 HB1 ALA A 84 10.221 6.692 4.164 1.00 1.00 H new ATOM 0 HB2 ALA A 84 10.785 7.761 2.858 1.00 1.00 H new ATOM 0 HB3 ALA A 84 9.042 7.533 3.131 1.00 1.00 H new ATOM 1304 N LEU A 85 7.735 4.900 2.313 1.00 0.75 N ATOM 1305 CA LEU A 85 6.706 3.883 2.589 1.00 0.81 C ATOM 1306 C LEU A 85 6.924 2.577 1.800 1.00 0.87 C ATOM 1307 O LEU A 85 6.666 1.492 2.318 1.00 1.04 O ATOM 1308 CB LEU A 85 5.321 4.484 2.278 1.00 0.84 C ATOM 1309 CG LEU A 85 4.833 5.524 3.308 1.00 1.20 C ATOM 1310 CD1 LEU A 85 3.651 6.310 2.736 1.00 2.71 C ATOM 1311 CD2 LEU A 85 4.364 4.850 4.599 1.00 1.44 C ATOM 0 H LEU A 85 7.361 5.740 1.872 1.00 0.75 H new ATOM 0 HA LEU A 85 6.774 3.611 3.642 1.00 0.81 H new ATOM 0 HB2 LEU A 85 5.354 4.952 1.294 1.00 0.84 H new ATOM 0 HB3 LEU A 85 4.592 3.676 2.222 1.00 0.84 H new ATOM 0 HG LEU A 85 5.672 6.185 3.525 1.00 1.20 H new ATOM 0 HD11 LEU A 85 3.312 7.042 3.469 1.00 2.71 H new ATOM 0 HD12 LEU A 85 3.962 6.824 1.827 1.00 2.71 H new ATOM 0 HD13 LEU A 85 2.836 5.624 2.505 1.00 2.71 H new ATOM 0 HD21 LEU A 85 4.027 5.610 5.304 1.00 1.44 H new ATOM 0 HD22 LEU A 85 3.541 4.170 4.377 1.00 1.44 H new ATOM 0 HD23 LEU A 85 5.190 4.289 5.037 1.00 1.44 H new ATOM 1323 N ILE A 86 7.450 2.662 0.576 1.00 0.81 N ATOM 1324 CA ILE A 86 7.864 1.514 -0.252 1.00 0.89 C ATOM 1325 C ILE A 86 9.110 0.853 0.337 1.00 0.94 C ATOM 1326 O ILE A 86 9.207 -0.377 0.378 1.00 1.06 O ATOM 1327 CB ILE A 86 8.068 1.973 -1.719 1.00 0.92 C ATOM 1328 CG1 ILE A 86 6.840 1.621 -2.572 1.00 1.10 C ATOM 1329 CG2 ILE A 86 9.280 1.352 -2.431 1.00 1.02 C ATOM 1330 CD1 ILE A 86 5.519 2.229 -2.095 1.00 1.03 C ATOM 0 H ILE A 86 7.607 3.558 0.114 1.00 0.81 H new ATOM 0 HA ILE A 86 7.079 0.758 -0.253 1.00 0.89 H new ATOM 0 HB ILE A 86 8.233 3.047 -1.635 1.00 0.92 H new ATOM 0 HG12 ILE A 86 7.023 1.948 -3.596 1.00 1.10 H new ATOM 0 HG13 ILE A 86 6.734 0.536 -2.597 1.00 1.10 H new ATOM 0 HG21 ILE A 86 9.338 1.734 -3.450 1.00 1.02 H new ATOM 0 HG22 ILE A 86 10.191 1.613 -1.893 1.00 1.02 H new ATOM 0 HG23 ILE A 86 9.171 0.268 -2.456 1.00 1.02 H new ATOM 0 HD11 ILE A 86 4.715 1.921 -2.763 1.00 1.03 H new ATOM 0 HD12 ILE A 86 5.303 1.883 -1.084 1.00 1.03 H new ATOM 0 HD13 ILE A 86 5.597 3.316 -2.098 1.00 1.03 H new ATOM 1342 N SER A 87 10.035 1.675 0.837 1.00 0.90 N ATOM 1343 CA SER A 87 11.244 1.211 1.511 1.00 0.94 C ATOM 1344 C SER A 87 10.918 0.539 2.851 1.00 0.99 C ATOM 1345 O SER A 87 11.599 -0.422 3.191 1.00 1.10 O ATOM 1346 CB SER A 87 12.255 2.352 1.671 1.00 0.95 C ATOM 1347 OG SER A 87 12.560 2.919 0.403 1.00 1.67 O ATOM 0 H SER A 87 9.963 2.691 0.784 1.00 0.90 H new ATOM 0 HA SER A 87 11.708 0.451 0.882 1.00 0.94 H new ATOM 0 HB2 SER A 87 11.849 3.118 2.332 1.00 0.95 H new ATOM 0 HB3 SER A 87 13.166 1.978 2.139 1.00 0.95 H new ATOM 0 HG SER A 87 11.779 3.406 0.066 1.00 1.67 H new ATOM 1353 N TYR A 88 9.846 0.929 3.563 1.00 1.02 N ATOM 1354 CA TYR A 88 9.427 0.205 4.782 1.00 1.11 C ATOM 1355 C TYR A 88 9.091 -1.269 4.500 1.00 1.04 C ATOM 1356 O TYR A 88 9.556 -2.168 5.204 1.00 1.08 O ATOM 1357 CB TYR A 88 8.218 0.892 5.458 1.00 1.40 C ATOM 1358 CG TYR A 88 7.840 0.422 6.867 1.00 1.22 C ATOM 1359 CD1 TYR A 88 8.770 -0.215 7.718 1.00 2.08 C ATOM 1360 CD2 TYR A 88 6.535 0.662 7.347 1.00 2.26 C ATOM 1361 CE1 TYR A 88 8.394 -0.645 9.004 1.00 2.23 C ATOM 1362 CE2 TYR A 88 6.155 0.246 8.643 1.00 2.07 C ATOM 1363 CZ TYR A 88 7.083 -0.426 9.469 1.00 1.13 C ATOM 1364 OH TYR A 88 6.723 -0.889 10.700 1.00 1.24 O ATOM 0 H TYR A 88 9.260 1.729 3.323 1.00 1.02 H new ATOM 0 HA TYR A 88 10.280 0.234 5.461 1.00 1.11 H new ATOM 0 HB2 TYR A 88 8.419 1.962 5.502 1.00 1.40 H new ATOM 0 HB3 TYR A 88 7.350 0.757 4.813 1.00 1.40 H new ATOM 0 HD1 TYR A 88 9.782 -0.374 7.377 1.00 2.08 H new ATOM 0 HD2 TYR A 88 5.819 1.169 6.717 1.00 2.26 H new ATOM 0 HE1 TYR A 88 9.113 -1.145 9.636 1.00 2.23 H new ATOM 0 HE2 TYR A 88 5.155 0.442 9.002 1.00 2.07 H new ATOM 0 HH TYR A 88 6.312 -1.774 10.609 1.00 1.24 H new ATOM 1374 N LEU A 89 8.331 -1.517 3.426 1.00 1.01 N ATOM 1375 CA LEU A 89 7.843 -2.850 3.047 1.00 1.08 C ATOM 1376 C LEU A 89 8.966 -3.815 2.622 1.00 1.05 C ATOM 1377 O LEU A 89 8.770 -5.028 2.687 1.00 1.43 O ATOM 1378 CB LEU A 89 6.794 -2.704 1.924 1.00 1.12 C ATOM 1379 CG LEU A 89 5.550 -1.873 2.301 1.00 1.17 C ATOM 1380 CD1 LEU A 89 4.669 -1.657 1.069 1.00 2.94 C ATOM 1381 CD2 LEU A 89 4.699 -2.537 3.384 1.00 1.61 C ATOM 0 H LEU A 89 8.032 -0.783 2.784 1.00 1.01 H new ATOM 0 HA LEU A 89 7.390 -3.296 3.932 1.00 1.08 H new ATOM 0 HB2 LEU A 89 7.271 -2.244 1.058 1.00 1.12 H new ATOM 0 HB3 LEU A 89 6.470 -3.699 1.618 1.00 1.12 H new ATOM 0 HG LEU A 89 5.922 -0.925 2.690 1.00 1.17 H new ATOM 0 HD11 LEU A 89 3.794 -1.069 1.346 1.00 2.94 H new ATOM 0 HD12 LEU A 89 5.236 -1.125 0.305 1.00 2.94 H new ATOM 0 HD13 LEU A 89 4.349 -2.622 0.677 1.00 2.94 H new ATOM 0 HD21 LEU A 89 3.838 -1.907 3.608 1.00 1.61 H new ATOM 0 HD22 LEU A 89 4.355 -3.509 3.031 1.00 1.61 H new ATOM 0 HD23 LEU A 89 5.296 -2.669 4.286 1.00 1.61 H new ATOM 1393 N GLU A 90 10.127 -3.297 2.208 1.00 0.75 N ATOM 1394 CA GLU A 90 11.329 -4.092 1.923 1.00 0.75 C ATOM 1395 C GLU A 90 12.299 -4.140 3.115 1.00 0.69 C ATOM 1396 O GLU A 90 12.696 -5.229 3.534 1.00 0.84 O ATOM 1397 CB GLU A 90 12.005 -3.575 0.640 1.00 0.94 C ATOM 1398 CG GLU A 90 13.202 -4.447 0.236 1.00 1.38 C ATOM 1399 CD GLU A 90 13.741 -4.086 -1.152 1.00 1.54 C ATOM 1400 OE1 GLU A 90 14.166 -2.924 -1.367 1.00 2.38 O ATOM 1401 OE2 GLU A 90 13.799 -4.986 -2.029 1.00 2.55 O ATOM 0 H GLU A 90 10.261 -2.297 2.059 1.00 0.75 H new ATOM 0 HA GLU A 90 11.022 -5.125 1.757 1.00 0.75 H new ATOM 0 HB2 GLU A 90 11.278 -3.557 -0.172 1.00 0.94 H new ATOM 0 HB3 GLU A 90 12.338 -2.548 0.793 1.00 0.94 H new ATOM 0 HG2 GLU A 90 13.997 -4.333 0.973 1.00 1.38 H new ATOM 0 HG3 GLU A 90 12.905 -5.496 0.247 1.00 1.38 H new ATOM 1408 N GLU A 91 12.673 -2.993 3.691 1.00 0.72 N ATOM 1409 CA GLU A 91 13.736 -2.906 4.704 1.00 0.96 C ATOM 1410 C GLU A 91 13.372 -3.622 6.014 1.00 1.08 C ATOM 1411 O GLU A 91 14.246 -4.234 6.619 1.00 1.37 O ATOM 1412 CB GLU A 91 14.162 -1.445 4.952 1.00 1.20 C ATOM 1413 CG GLU A 91 14.878 -0.840 3.726 1.00 1.70 C ATOM 1414 CD GLU A 91 15.450 0.571 3.946 1.00 2.72 C ATOM 1415 OE1 GLU A 91 15.558 1.045 5.106 1.00 3.51 O ATOM 1416 OE2 GLU A 91 15.883 1.195 2.947 1.00 3.57 O ATOM 0 H GLU A 91 12.247 -2.094 3.468 1.00 0.72 H new ATOM 0 HA GLU A 91 14.596 -3.437 4.296 1.00 0.96 H new ATOM 0 HB2 GLU A 91 13.283 -0.846 5.192 1.00 1.20 H new ATOM 0 HB3 GLU A 91 14.823 -1.401 5.817 1.00 1.20 H new ATOM 0 HG2 GLU A 91 15.690 -1.505 3.432 1.00 1.70 H new ATOM 0 HG3 GLU A 91 14.176 -0.807 2.893 1.00 1.70 H new ATOM 1423 N GLU A 92 12.095 -3.692 6.404 1.00 1.01 N ATOM 1424 CA GLU A 92 11.644 -4.526 7.535 1.00 1.31 C ATOM 1425 C GLU A 92 12.026 -6.017 7.368 1.00 1.76 C ATOM 1426 O GLU A 92 12.244 -6.736 8.349 1.00 1.97 O ATOM 1427 CB GLU A 92 10.120 -4.349 7.649 1.00 1.46 C ATOM 1428 CG GLU A 92 9.446 -5.136 8.778 1.00 2.40 C ATOM 1429 CD GLU A 92 9.804 -4.635 10.180 1.00 2.62 C ATOM 1430 OE1 GLU A 92 9.341 -3.537 10.549 1.00 2.94 O ATOM 1431 OE2 GLU A 92 10.417 -5.388 10.978 1.00 3.56 O ATOM 0 H GLU A 92 11.342 -3.175 5.949 1.00 1.01 H new ATOM 0 HA GLU A 92 12.144 -4.203 8.448 1.00 1.31 H new ATOM 0 HB2 GLU A 92 9.905 -3.290 7.789 1.00 1.46 H new ATOM 0 HB3 GLU A 92 9.666 -4.644 6.703 1.00 1.46 H new ATOM 0 HG2 GLU A 92 8.365 -5.084 8.649 1.00 2.40 H new ATOM 0 HG3 GLU A 92 9.727 -6.186 8.695 1.00 2.40 H new ATOM 1438 N THR A 93 12.142 -6.480 6.119 1.00 1.98 N ATOM 1439 CA THR A 93 12.416 -7.881 5.737 1.00 2.31 C ATOM 1440 C THR A 93 13.889 -8.126 5.401 1.00 2.42 C ATOM 1441 O THR A 93 14.434 -9.200 5.671 1.00 2.97 O ATOM 1442 CB THR A 93 11.524 -8.303 4.556 1.00 2.11 C ATOM 1443 OG1 THR A 93 11.974 -7.804 3.313 1.00 3.48 O ATOM 1444 CG2 THR A 93 10.092 -7.799 4.696 1.00 2.09 C ATOM 0 H THR A 93 12.045 -5.868 5.309 1.00 1.98 H new ATOM 0 HA THR A 93 12.180 -8.494 6.607 1.00 2.31 H new ATOM 0 HB THR A 93 11.571 -9.392 4.579 1.00 2.11 H new ATOM 0 HG1 THR A 93 12.126 -6.838 3.384 1.00 3.48 H new ATOM 0 HG21 THR A 93 9.506 -8.125 3.837 1.00 2.09 H new ATOM 0 HG22 THR A 93 9.652 -8.201 5.609 1.00 2.09 H new ATOM 0 HG23 THR A 93 10.093 -6.710 4.743 1.00 2.09 H new ATOM 1452 N ALA A 94 14.540 -7.110 4.829 1.00 2.11 N ATOM 1453 CA ALA A 94 15.962 -7.108 4.480 1.00 2.63 C ATOM 1454 C ALA A 94 16.885 -6.808 5.684 1.00 3.42 C ATOM 1455 O ALA A 94 18.013 -7.303 5.756 1.00 4.02 O ATOM 1456 CB ALA A 94 16.169 -6.130 3.320 1.00 2.52 C ATOM 0 H ALA A 94 14.074 -6.235 4.588 1.00 2.11 H new ATOM 0 HA ALA A 94 16.251 -8.111 4.167 1.00 2.63 H new ATOM 0 HB1 ALA A 94 17.223 -6.112 3.043 1.00 2.52 H new ATOM 0 HB2 ALA A 94 15.574 -6.449 2.464 1.00 2.52 H new ATOM 0 HB3 ALA A 94 15.857 -5.131 3.626 1.00 2.52 H new