USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 499 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 30 TYR OH : rot -5:sc= 1.18 USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 1.12 USER MOD Single : A 1 SER N :NH3+ 138:sc= 0.687 (180deg=0.0314) USER MOD Single : A 1 SER OG : rot -60:sc= 0.218 USER MOD Single : A 5 SER OG : rot -64:sc= 1.11 USER MOD Single : A 11 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.0069) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 77:sc= 0.385 USER MOD Single : A 21 TYR OH : rot 130:sc= -0.256 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 141:sc= -6.39! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 144:sc= -0.417 (180deg=-1.56!) USER MOD Single : A 41 GLN : amide:sc= -0.444 K(o=-0.44,f=-1.3!) USER MOD Single : A 46 SER OG : rot -54:sc= 0.29 USER MOD Single : A 47 HIS : no HE2:sc= -9.8! C(o=-9.8!,f=-7.1!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0477) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.0061) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 151:sc= -0.288 (180deg=-1.66!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.517 10.151 2.734 1.00 0.00 N ATOM 2 CA SER A 1 14.288 8.938 3.144 1.00 0.00 C ATOM 3 C SER A 1 13.325 7.787 3.452 1.00 0.00 C ATOM 4 O SER A 1 12.239 7.996 3.956 1.00 0.00 O ATOM 5 CB SER A 1 15.054 9.350 4.405 1.00 0.00 C ATOM 6 OG SER A 1 15.267 10.756 4.393 1.00 0.00 O ATOM 0 H1 SER A 1 13.931 10.993 3.182 1.00 0.00 H new ATOM 0 H2 SER A 1 13.556 10.254 1.700 1.00 0.00 H new ATOM 0 H3 SER A 1 12.526 10.051 3.035 1.00 0.00 H new ATOM 0 HA SER A 1 14.962 8.594 2.360 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.492 9.064 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 1 16.009 8.827 4.450 1.00 0.00 H new ATOM 0 HG SER A 1 15.790 11.001 3.601 1.00 0.00 H new ATOM 14 N ALA A 2 13.712 6.574 3.151 1.00 0.00 N ATOM 15 CA ALA A 2 12.811 5.414 3.426 1.00 0.00 C ATOM 16 C ALA A 2 13.602 4.228 3.961 1.00 0.00 C ATOM 17 O ALA A 2 14.815 4.254 4.034 1.00 0.00 O ATOM 18 CB ALA A 2 12.169 5.078 2.079 1.00 0.00 C ATOM 0 H ALA A 2 14.609 6.337 2.728 1.00 0.00 H new ATOM 0 HA ALA A 2 12.064 5.650 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.491 4.233 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.611 5.941 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.946 4.820 1.360 1.00 0.00 H new ATOM 24 N VAL A 3 12.911 3.197 4.363 1.00 0.00 N ATOM 25 CA VAL A 3 13.600 2.013 4.929 1.00 0.00 C ATOM 26 C VAL A 3 12.642 0.808 4.932 1.00 0.00 C ATOM 27 O VAL A 3 12.719 -0.070 5.768 1.00 0.00 O ATOM 28 CB VAL A 3 13.996 2.486 6.340 1.00 0.00 C ATOM 29 CG1 VAL A 3 13.296 1.676 7.431 1.00 0.00 C ATOM 30 CG2 VAL A 3 15.503 2.354 6.494 1.00 0.00 C ATOM 0 H VAL A 3 11.894 3.128 4.322 1.00 0.00 H new ATOM 0 HA VAL A 3 14.470 1.674 4.367 1.00 0.00 H new ATOM 0 HB VAL A 3 13.686 3.525 6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 3 13.604 2.043 8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.216 1.782 7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 3 13.568 0.625 7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 3 15.797 2.686 7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.793 1.312 6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 3 16.001 2.969 5.744 1.00 0.00 H new ATOM 40 N ILE A 4 11.740 0.765 3.991 1.00 0.00 N ATOM 41 CA ILE A 4 10.768 -0.370 3.932 1.00 0.00 C ATOM 42 C ILE A 4 11.055 -1.282 2.722 1.00 0.00 C ATOM 43 O ILE A 4 11.944 -1.020 1.936 1.00 0.00 O ATOM 44 CB ILE A 4 9.382 0.287 3.810 1.00 0.00 C ATOM 45 CG1 ILE A 4 9.380 1.387 2.726 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.969 0.899 5.160 1.00 0.00 C ATOM 47 CD1 ILE A 4 9.693 0.790 1.347 1.00 0.00 C ATOM 0 H ILE A 4 11.632 1.466 3.258 1.00 0.00 H new ATOM 0 HA ILE A 4 10.837 -1.006 4.814 1.00 0.00 H new ATOM 0 HB ILE A 4 8.669 -0.485 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.408 1.880 2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.118 2.150 2.974 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.987 1.362 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.929 0.116 5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.698 1.653 5.456 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.687 1.582 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.676 0.319 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.939 0.045 1.094 1.00 0.00 H new ATOM 59 N SER A 5 10.311 -2.361 2.575 1.00 0.00 N ATOM 60 CA SER A 5 10.541 -3.298 1.421 1.00 0.00 C ATOM 61 C SER A 5 9.565 -4.482 1.470 1.00 0.00 C ATOM 62 O SER A 5 9.926 -5.580 1.833 1.00 0.00 O ATOM 63 CB SER A 5 11.985 -3.789 1.582 1.00 0.00 C ATOM 64 OG SER A 5 12.124 -5.083 1.007 1.00 0.00 O ATOM 0 H SER A 5 9.555 -2.632 3.204 1.00 0.00 H new ATOM 0 HA SER A 5 10.379 -2.802 0.464 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.671 -3.092 1.101 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.252 -3.820 2.638 1.00 0.00 H new ATOM 0 HG SER A 5 11.572 -5.723 1.504 1.00 0.00 H new ATOM 70 N LEU A 6 8.336 -4.259 1.080 1.00 0.00 N ATOM 71 CA LEU A 6 7.313 -5.357 1.071 1.00 0.00 C ATOM 72 C LEU A 6 7.258 -6.078 2.421 1.00 0.00 C ATOM 73 O LEU A 6 6.384 -5.826 3.229 1.00 0.00 O ATOM 74 CB LEU A 6 7.764 -6.304 -0.042 1.00 0.00 C ATOM 75 CG LEU A 6 7.066 -5.920 -1.351 1.00 0.00 C ATOM 76 CD1 LEU A 6 5.601 -6.369 -1.319 1.00 0.00 C ATOM 77 CD2 LEU A 6 7.134 -4.406 -1.542 1.00 0.00 C ATOM 0 H LEU A 6 7.990 -3.353 0.763 1.00 0.00 H new ATOM 0 HA LEU A 6 6.307 -4.974 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.846 -6.250 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.524 -7.334 0.222 1.00 0.00 H new ATOM 0 HG LEU A 6 7.570 -6.415 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.115 -6.091 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.555 -7.451 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.090 -5.885 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.637 -4.134 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.637 -3.911 -0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.177 -4.091 -1.581 1.00 0.00 H new ATOM 89 N ASP A 7 8.181 -6.965 2.676 1.00 0.00 N ATOM 90 CA ASP A 7 8.172 -7.692 3.981 1.00 0.00 C ATOM 91 C ASP A 7 8.336 -6.696 5.132 1.00 0.00 C ATOM 92 O ASP A 7 8.037 -6.996 6.271 1.00 0.00 O ATOM 93 CB ASP A 7 9.362 -8.651 3.913 1.00 0.00 C ATOM 94 CG ASP A 7 9.409 -9.498 5.187 1.00 0.00 C ATOM 95 OD1 ASP A 7 8.392 -10.081 5.526 1.00 0.00 O ATOM 96 OD2 ASP A 7 10.461 -9.549 5.802 1.00 0.00 O ATOM 0 H ASP A 7 8.938 -7.218 2.041 1.00 0.00 H new ATOM 0 HA ASP A 7 7.238 -8.227 4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.274 -9.295 3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.290 -8.089 3.803 1.00 0.00 H new ATOM 101 N GLU A 8 8.801 -5.510 4.838 1.00 0.00 N ATOM 102 CA GLU A 8 8.976 -4.486 5.906 1.00 0.00 C ATOM 103 C GLU A 8 7.967 -3.349 5.716 1.00 0.00 C ATOM 104 O GLU A 8 8.317 -2.189 5.771 1.00 0.00 O ATOM 105 CB GLU A 8 10.403 -3.967 5.723 1.00 0.00 C ATOM 106 CG GLU A 8 10.979 -3.547 7.081 1.00 0.00 C ATOM 107 CD GLU A 8 12.132 -4.479 7.459 1.00 0.00 C ATOM 108 OE1 GLU A 8 12.891 -4.838 6.574 1.00 0.00 O ATOM 109 OE2 GLU A 8 12.236 -4.819 8.626 1.00 0.00 O ATOM 0 H GLU A 8 9.067 -5.207 3.901 1.00 0.00 H new ATOM 0 HA GLU A 8 8.813 -4.895 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.027 -4.741 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.407 -3.119 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.331 -2.516 7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.202 -3.585 7.845 1.00 0.00 H new ATOM 116 N PHE A 9 6.717 -3.668 5.492 1.00 0.00 N ATOM 117 CA PHE A 9 5.692 -2.590 5.312 1.00 0.00 C ATOM 118 C PHE A 9 4.589 -2.725 6.360 1.00 0.00 C ATOM 119 O PHE A 9 3.652 -1.950 6.386 1.00 0.00 O ATOM 120 CB PHE A 9 5.117 -2.778 3.910 1.00 0.00 C ATOM 121 CG PHE A 9 5.743 -1.778 2.971 1.00 0.00 C ATOM 122 CD1 PHE A 9 5.797 -0.428 3.320 1.00 0.00 C ATOM 123 CD2 PHE A 9 6.278 -2.201 1.756 1.00 0.00 C ATOM 124 CE1 PHE A 9 6.385 0.493 2.456 1.00 0.00 C ATOM 125 CE2 PHE A 9 6.865 -1.276 0.887 1.00 0.00 C ATOM 126 CZ PHE A 9 6.917 0.070 1.240 1.00 0.00 C ATOM 0 H PHE A 9 6.362 -4.622 5.426 1.00 0.00 H new ATOM 0 HA PHE A 9 6.133 -1.600 5.431 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.310 -3.792 3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 9 4.035 -2.647 3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.383 -0.097 4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.239 -3.246 1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.429 1.537 2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.277 -1.605 -0.056 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.370 0.786 0.571 1.00 0.00 H new ATOM 136 N GLU A 10 4.703 -3.682 7.237 1.00 0.00 N ATOM 137 CA GLU A 10 3.669 -3.845 8.299 1.00 0.00 C ATOM 138 C GLU A 10 4.066 -3.015 9.523 1.00 0.00 C ATOM 139 O GLU A 10 3.491 -3.142 10.586 1.00 0.00 O ATOM 140 CB GLU A 10 3.657 -5.343 8.632 1.00 0.00 C ATOM 141 CG GLU A 10 5.072 -5.819 8.979 1.00 0.00 C ATOM 142 CD GLU A 10 5.005 -6.824 10.131 1.00 0.00 C ATOM 143 OE1 GLU A 10 4.359 -7.845 9.965 1.00 0.00 O ATOM 144 OE2 GLU A 10 5.600 -6.553 11.162 1.00 0.00 O ATOM 0 H GLU A 10 5.466 -4.358 7.266 1.00 0.00 H new ATOM 0 HA GLU A 10 2.683 -3.506 7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.986 -5.531 9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.273 -5.909 7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.536 -6.280 8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.694 -4.969 9.260 1.00 0.00 H new ATOM 151 N ASN A 11 5.050 -2.160 9.373 1.00 0.00 N ATOM 152 CA ASN A 11 5.496 -1.315 10.513 1.00 0.00 C ATOM 153 C ASN A 11 4.737 0.015 10.523 1.00 0.00 C ATOM 154 O ASN A 11 4.310 0.481 11.562 1.00 0.00 O ATOM 155 CB ASN A 11 6.987 -1.077 10.272 1.00 0.00 C ATOM 156 CG ASN A 11 7.778 -2.317 10.690 1.00 0.00 C ATOM 157 OD1 ASN A 11 8.584 -2.822 9.934 1.00 0.00 O ATOM 158 ND2 ASN A 11 7.583 -2.832 11.873 1.00 0.00 N ATOM 0 H ASN A 11 5.562 -2.015 8.503 1.00 0.00 H new ATOM 0 HA ASN A 11 5.308 -1.793 11.474 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.165 -0.857 9.219 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.324 -0.210 10.840 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.107 -3.658 12.162 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.907 -2.409 12.508 1.00 0.00 H new ATOM 165 N LYS A 12 4.575 0.646 9.383 1.00 0.00 N ATOM 166 CA LYS A 12 3.855 1.946 9.371 1.00 0.00 C ATOM 167 C LYS A 12 2.440 1.799 8.819 1.00 0.00 C ATOM 168 O LYS A 12 2.167 0.965 7.978 1.00 0.00 O ATOM 169 CB LYS A 12 4.674 2.845 8.469 1.00 0.00 C ATOM 170 CG LYS A 12 5.745 3.549 9.300 1.00 0.00 C ATOM 171 CD LYS A 12 6.948 3.848 8.412 1.00 0.00 C ATOM 172 CE LYS A 12 7.971 2.717 8.534 1.00 0.00 C ATOM 173 NZ LYS A 12 9.293 3.402 8.565 1.00 0.00 N ATOM 0 H LYS A 12 4.907 0.318 8.476 1.00 0.00 H new ATOM 0 HA LYS A 12 3.751 2.347 10.379 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.139 2.259 7.676 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.030 3.580 7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.348 4.473 9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.044 2.920 10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.630 3.953 7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.402 4.795 8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.807 2.132 9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.902 2.028 7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.049 2.693 8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.423 3.946 7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.331 4.046 9.381 1.00 0.00 H new ATOM 187 N THR A 13 1.547 2.623 9.285 1.00 0.00 N ATOM 188 CA THR A 13 0.136 2.574 8.797 1.00 0.00 C ATOM 189 C THR A 13 0.017 3.298 7.452 1.00 0.00 C ATOM 190 O THR A 13 -0.717 4.256 7.317 1.00 0.00 O ATOM 191 CB THR A 13 -0.697 3.282 9.871 1.00 0.00 C ATOM 192 OG1 THR A 13 0.141 4.116 10.658 1.00 0.00 O ATOM 193 CG2 THR A 13 -1.371 2.239 10.765 1.00 0.00 C ATOM 0 H THR A 13 1.733 3.336 9.990 1.00 0.00 H new ATOM 0 HA THR A 13 -0.206 1.551 8.639 1.00 0.00 H new ATOM 0 HB THR A 13 -1.460 3.894 9.390 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.345 4.936 10.162 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.963 2.743 11.529 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.021 1.607 10.160 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.609 1.624 11.244 1.00 0.00 H new ATOM 201 N LEU A 14 0.729 2.841 6.456 1.00 0.00 N ATOM 202 CA LEU A 14 0.670 3.489 5.111 1.00 0.00 C ATOM 203 C LEU A 14 1.086 4.964 5.197 1.00 0.00 C ATOM 204 O LEU A 14 2.232 5.305 4.989 1.00 0.00 O ATOM 205 CB LEU A 14 -0.797 3.382 4.655 1.00 0.00 C ATOM 206 CG LEU A 14 -0.984 2.201 3.704 1.00 0.00 C ATOM 207 CD1 LEU A 14 -0.125 2.383 2.454 1.00 0.00 C ATOM 208 CD2 LEU A 14 -0.582 0.914 4.408 1.00 0.00 C ATOM 0 H LEU A 14 1.355 2.038 6.517 1.00 0.00 H new ATOM 0 HA LEU A 14 1.351 3.004 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.445 3.262 5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.097 4.305 4.159 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.032 2.150 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.269 1.533 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.417 3.300 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.925 2.445 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.715 0.071 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.464 0.975 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.206 0.772 5.290 1.00 0.00 H new ATOM 220 N ASP A 15 0.141 5.828 5.483 1.00 0.00 N ATOM 221 CA ASP A 15 0.395 7.311 5.565 1.00 0.00 C ATOM 222 C ASP A 15 1.799 7.668 6.073 1.00 0.00 C ATOM 223 O ASP A 15 2.343 8.697 5.722 1.00 0.00 O ATOM 224 CB ASP A 15 -0.659 7.825 6.548 1.00 0.00 C ATOM 225 CG ASP A 15 -2.058 7.558 5.987 1.00 0.00 C ATOM 226 OD1 ASP A 15 -2.531 8.374 5.214 1.00 0.00 O ATOM 227 OD2 ASP A 15 -2.634 6.542 6.344 1.00 0.00 O ATOM 0 H ASP A 15 -0.826 5.563 5.669 1.00 0.00 H new ATOM 0 HA ASP A 15 0.333 7.760 4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.543 7.331 7.513 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.522 8.893 6.718 1.00 0.00 H new ATOM 232 N GLU A 16 2.386 6.849 6.895 1.00 0.00 N ATOM 233 CA GLU A 16 3.751 7.172 7.414 1.00 0.00 C ATOM 234 C GLU A 16 4.720 7.364 6.251 1.00 0.00 C ATOM 235 O GLU A 16 5.704 8.068 6.359 1.00 0.00 O ATOM 236 CB GLU A 16 4.178 5.972 8.263 1.00 0.00 C ATOM 237 CG GLU A 16 3.055 5.552 9.229 1.00 0.00 C ATOM 238 CD GLU A 16 2.453 6.783 9.913 1.00 0.00 C ATOM 239 OE1 GLU A 16 3.215 7.590 10.416 1.00 0.00 O ATOM 240 OE2 GLU A 16 1.237 6.894 9.925 1.00 0.00 O ATOM 0 H GLU A 16 1.987 5.973 7.232 1.00 0.00 H new ATOM 0 HA GLU A 16 3.750 8.092 7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.435 5.136 7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.075 6.223 8.829 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.279 5.015 8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.449 4.867 9.980 1.00 0.00 H new ATOM 247 N ILE A 17 4.448 6.737 5.138 1.00 0.00 N ATOM 248 CA ILE A 17 5.352 6.874 3.961 1.00 0.00 C ATOM 249 C ILE A 17 4.571 6.685 2.656 1.00 0.00 C ATOM 250 O ILE A 17 4.769 5.725 1.966 1.00 0.00 O ATOM 251 CB ILE A 17 6.447 5.783 4.094 1.00 0.00 C ATOM 252 CG1 ILE A 17 6.112 4.743 5.184 1.00 0.00 C ATOM 253 CG2 ILE A 17 7.778 6.450 4.452 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.326 3.571 4.584 1.00 0.00 C ATOM 0 H ILE A 17 3.637 6.135 4.994 1.00 0.00 H new ATOM 0 HA ILE A 17 5.797 7.869 3.935 1.00 0.00 H new ATOM 0 HB ILE A 17 6.507 5.263 3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.032 4.376 5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.529 5.212 5.976 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.552 5.689 4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.055 7.154 3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.675 6.983 5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.098 2.847 5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.397 3.940 4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.923 3.091 3.809 1.00 0.00 H new ATOM 266 N ILE A 18 3.678 7.587 2.319 1.00 0.00 N ATOM 267 CA ILE A 18 2.886 7.442 1.037 1.00 0.00 C ATOM 268 C ILE A 18 3.009 8.723 0.189 1.00 0.00 C ATOM 269 O ILE A 18 3.680 9.664 0.563 1.00 0.00 O ATOM 270 CB ILE A 18 1.426 7.207 1.473 1.00 0.00 C ATOM 271 CG1 ILE A 18 1.400 6.265 2.672 1.00 0.00 C ATOM 272 CG2 ILE A 18 0.610 6.565 0.337 1.00 0.00 C ATOM 273 CD1 ILE A 18 2.151 4.971 2.328 1.00 0.00 C ATOM 0 H ILE A 18 3.458 8.417 2.869 1.00 0.00 H new ATOM 0 HA ILE A 18 3.251 6.620 0.422 1.00 0.00 H new ATOM 0 HB ILE A 18 0.989 8.172 1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.861 6.746 3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.370 6.037 2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.416 6.409 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.614 7.224 -0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.053 5.606 0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.131 4.300 3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.671 4.487 1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.185 5.206 2.076 1.00 0.00 H new ATOM 285 N GLY A 19 2.374 8.756 -0.959 1.00 0.00 N ATOM 286 CA GLY A 19 2.459 9.958 -1.845 1.00 0.00 C ATOM 287 C GLY A 19 2.916 9.532 -3.241 1.00 0.00 C ATOM 288 O GLY A 19 2.197 8.878 -3.968 1.00 0.00 O ATOM 0 H GLY A 19 1.797 7.997 -1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.488 10.449 -1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.158 10.682 -1.427 1.00 0.00 H new ATOM 292 N PHE A 20 4.117 9.881 -3.613 1.00 0.00 N ATOM 293 CA PHE A 20 4.629 9.482 -4.957 1.00 0.00 C ATOM 294 C PHE A 20 5.235 8.091 -4.854 1.00 0.00 C ATOM 295 O PHE A 20 4.884 7.192 -5.594 1.00 0.00 O ATOM 296 CB PHE A 20 5.692 10.523 -5.298 1.00 0.00 C ATOM 297 CG PHE A 20 5.555 10.904 -6.747 1.00 0.00 C ATOM 298 CD1 PHE A 20 5.914 9.992 -7.743 1.00 0.00 C ATOM 299 CD2 PHE A 20 5.055 12.164 -7.093 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.779 10.341 -9.092 1.00 0.00 C ATOM 301 CE2 PHE A 20 4.918 12.514 -8.442 1.00 0.00 C ATOM 302 CZ PHE A 20 5.280 11.602 -9.442 1.00 0.00 C ATOM 0 H PHE A 20 4.767 10.425 -3.045 1.00 0.00 H new ATOM 0 HA PHE A 20 3.855 9.446 -5.724 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.575 11.402 -4.665 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.687 10.122 -5.106 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.295 9.019 -7.472 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.775 12.866 -6.321 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.060 9.638 -9.863 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.533 13.487 -8.711 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.174 11.871 -10.483 1.00 0.00 H new ATOM 312 N TYR A 21 6.102 7.893 -3.900 1.00 0.00 N ATOM 313 CA TYR A 21 6.696 6.543 -3.697 1.00 0.00 C ATOM 314 C TYR A 21 5.543 5.528 -3.548 1.00 0.00 C ATOM 315 O TYR A 21 5.712 4.338 -3.720 1.00 0.00 O ATOM 316 CB TYR A 21 7.536 6.688 -2.401 1.00 0.00 C ATOM 317 CG TYR A 21 7.054 5.731 -1.333 1.00 0.00 C ATOM 318 CD1 TYR A 21 5.718 5.757 -0.922 1.00 0.00 C ATOM 319 CD2 TYR A 21 7.939 4.806 -0.774 1.00 0.00 C ATOM 320 CE1 TYR A 21 5.265 4.857 0.035 1.00 0.00 C ATOM 321 CE2 TYR A 21 7.483 3.901 0.190 1.00 0.00 C ATOM 322 CZ TYR A 21 6.144 3.926 0.592 1.00 0.00 C ATOM 323 OH TYR A 21 5.688 3.032 1.537 1.00 0.00 O ATOM 0 H TYR A 21 6.425 8.610 -3.251 1.00 0.00 H new ATOM 0 HA TYR A 21 7.320 6.190 -4.518 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.586 6.495 -2.620 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.470 7.712 -2.033 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.037 6.478 -1.349 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.973 4.790 -1.085 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.232 4.878 0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.164 3.184 0.623 1.00 0.00 H new ATOM 0 HH TYR A 21 5.964 2.125 1.289 1.00 0.00 H new ATOM 333 N GLU A 22 4.368 6.005 -3.207 1.00 0.00 N ATOM 334 CA GLU A 22 3.210 5.098 -3.028 1.00 0.00 C ATOM 335 C GLU A 22 2.860 4.422 -4.348 1.00 0.00 C ATOM 336 O GLU A 22 2.677 3.234 -4.400 1.00 0.00 O ATOM 337 CB GLU A 22 2.072 6.003 -2.551 1.00 0.00 C ATOM 338 CG GLU A 22 0.724 5.308 -2.751 1.00 0.00 C ATOM 339 CD GLU A 22 0.266 5.494 -4.199 1.00 0.00 C ATOM 340 OE1 GLU A 22 0.553 6.538 -4.760 1.00 0.00 O ATOM 341 OE2 GLU A 22 -0.336 4.577 -4.732 1.00 0.00 O ATOM 0 H GLU A 22 4.170 6.992 -3.046 1.00 0.00 H new ATOM 0 HA GLU A 22 3.412 4.297 -2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.210 6.248 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.090 6.943 -3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.812 4.247 -2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.017 5.723 -2.068 1.00 0.00 H new ATOM 348 N ALA A 23 2.759 5.160 -5.416 1.00 0.00 N ATOM 349 CA ALA A 23 2.406 4.521 -6.718 1.00 0.00 C ATOM 350 C ALA A 23 3.129 3.177 -6.862 1.00 0.00 C ATOM 351 O ALA A 23 2.548 2.188 -7.266 1.00 0.00 O ATOM 352 CB ALA A 23 2.869 5.509 -7.790 1.00 0.00 C ATOM 0 H ALA A 23 2.904 6.169 -5.447 1.00 0.00 H new ATOM 0 HA ALA A 23 1.339 4.313 -6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.642 5.107 -8.778 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.351 6.459 -7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.944 5.666 -7.700 1.00 0.00 H new ATOM 358 N GLN A 24 4.385 3.133 -6.507 1.00 0.00 N ATOM 359 CA GLN A 24 5.148 1.845 -6.607 1.00 0.00 C ATOM 360 C GLN A 24 5.019 1.028 -5.315 1.00 0.00 C ATOM 361 O GLN A 24 5.368 -0.131 -5.275 1.00 0.00 O ATOM 362 CB GLN A 24 6.599 2.258 -6.851 1.00 0.00 C ATOM 363 CG GLN A 24 7.078 3.139 -5.700 1.00 0.00 C ATOM 364 CD GLN A 24 8.554 2.869 -5.420 1.00 0.00 C ATOM 365 OE1 GLN A 24 9.419 3.429 -6.063 1.00 0.00 O ATOM 366 NE2 GLN A 24 8.876 2.026 -4.480 1.00 0.00 N ATOM 0 H GLN A 24 4.918 3.927 -6.153 1.00 0.00 H new ATOM 0 HA GLN A 24 4.767 1.209 -7.406 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.231 1.374 -6.934 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.681 2.798 -7.795 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.932 4.190 -5.950 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.487 2.939 -4.807 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.146 1.558 -3.943 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.858 1.834 -4.282 1.00 0.00 H new ATOM 375 N VAL A 25 4.514 1.622 -4.271 1.00 0.00 N ATOM 376 CA VAL A 25 4.332 0.889 -2.981 1.00 0.00 C ATOM 377 C VAL A 25 2.891 0.350 -2.913 1.00 0.00 C ATOM 378 O VAL A 25 2.660 -0.807 -2.630 1.00 0.00 O ATOM 379 CB VAL A 25 4.604 1.965 -1.922 1.00 0.00 C ATOM 380 CG1 VAL A 25 3.735 1.768 -0.668 1.00 0.00 C ATOM 381 CG2 VAL A 25 6.080 1.899 -1.528 1.00 0.00 C ATOM 0 H VAL A 25 4.215 2.597 -4.253 1.00 0.00 H new ATOM 0 HA VAL A 25 4.985 0.026 -2.849 1.00 0.00 H new ATOM 0 HB VAL A 25 4.356 2.937 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.959 2.551 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.682 1.819 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.948 0.794 -0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.290 2.659 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.304 0.913 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.700 2.078 -2.407 1.00 0.00 H new ATOM 391 N LEU A 26 1.922 1.190 -3.182 1.00 0.00 N ATOM 392 CA LEU A 26 0.498 0.750 -3.145 1.00 0.00 C ATOM 393 C LEU A 26 0.181 -0.115 -4.367 1.00 0.00 C ATOM 394 O LEU A 26 -0.419 -1.165 -4.245 1.00 0.00 O ATOM 395 CB LEU A 26 -0.314 2.047 -3.184 1.00 0.00 C ATOM 396 CG LEU A 26 -0.644 2.518 -1.759 1.00 0.00 C ATOM 397 CD1 LEU A 26 -1.694 1.594 -1.139 1.00 0.00 C ATOM 398 CD2 LEU A 26 0.622 2.505 -0.895 1.00 0.00 C ATOM 0 H LEU A 26 2.061 2.170 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 26 0.272 0.150 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.249 2.820 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.236 1.889 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.036 3.534 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.925 1.932 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.600 1.615 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.306 0.576 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.378 2.840 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.024 1.493 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.366 3.173 -1.329 1.00 0.00 H new ATOM 410 N LYS A 27 0.591 0.296 -5.546 1.00 0.00 N ATOM 411 CA LYS A 27 0.311 -0.546 -6.741 1.00 0.00 C ATOM 412 C LYS A 27 1.093 -1.849 -6.604 1.00 0.00 C ATOM 413 O LYS A 27 0.770 -2.858 -7.201 1.00 0.00 O ATOM 414 CB LYS A 27 0.797 0.267 -7.941 1.00 0.00 C ATOM 415 CG LYS A 27 0.117 -0.247 -9.210 1.00 0.00 C ATOM 416 CD LYS A 27 0.147 0.844 -10.285 1.00 0.00 C ATOM 417 CE LYS A 27 0.541 0.229 -11.630 1.00 0.00 C ATOM 418 NZ LYS A 27 0.851 1.390 -12.511 1.00 0.00 N ATOM 0 H LYS A 27 1.098 1.163 -5.725 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.744 -0.798 -6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.570 1.323 -7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.880 0.184 -8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.625 -1.141 -9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.913 -0.531 -8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.831 1.318 -10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.858 1.623 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.404 -0.428 -11.525 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.270 -0.373 -12.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.130 1.047 -13.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.009 1.994 -12.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.631 1.940 -12.098 1.00 0.00 H new ATOM 432 N LEU A 28 2.110 -1.827 -5.786 1.00 0.00 N ATOM 433 CA LEU A 28 2.923 -3.037 -5.545 1.00 0.00 C ATOM 434 C LEU A 28 2.213 -3.881 -4.477 1.00 0.00 C ATOM 435 O LEU A 28 1.951 -5.044 -4.688 1.00 0.00 O ATOM 436 CB LEU A 28 4.267 -2.468 -5.091 1.00 0.00 C ATOM 437 CG LEU A 28 4.981 -3.433 -4.158 1.00 0.00 C ATOM 438 CD1 LEU A 28 6.366 -3.758 -4.712 1.00 0.00 C ATOM 439 CD2 LEU A 28 5.121 -2.778 -2.790 1.00 0.00 C ATOM 0 H LEU A 28 2.412 -1.002 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 28 3.061 -3.698 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.893 -2.267 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.110 -1.516 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 28 4.407 -4.356 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.874 -4.450 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.266 -4.216 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.949 -2.841 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.632 -3.460 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.699 -1.859 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.132 -2.546 -2.395 1.00 0.00 H new ATOM 451 N PHE A 29 1.854 -3.298 -3.354 1.00 0.00 N ATOM 452 CA PHE A 29 1.104 -4.063 -2.313 1.00 0.00 C ATOM 453 C PHE A 29 -0.083 -4.732 -2.969 1.00 0.00 C ATOM 454 O PHE A 29 -0.455 -5.839 -2.655 1.00 0.00 O ATOM 455 CB PHE A 29 0.577 -3.008 -1.337 1.00 0.00 C ATOM 456 CG PHE A 29 1.710 -2.317 -0.635 1.00 0.00 C ATOM 457 CD1 PHE A 29 3.017 -2.789 -0.770 1.00 0.00 C ATOM 458 CD2 PHE A 29 1.448 -1.195 0.154 1.00 0.00 C ATOM 459 CE1 PHE A 29 4.059 -2.142 -0.122 1.00 0.00 C ATOM 460 CE2 PHE A 29 2.494 -0.549 0.808 1.00 0.00 C ATOM 461 CZ PHE A 29 3.797 -1.020 0.672 1.00 0.00 C ATOM 0 H PHE A 29 2.050 -2.325 -3.117 1.00 0.00 H new ATOM 0 HA PHE A 29 1.725 -4.814 -1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.024 -2.275 -1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.078 -3.479 -0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.217 -3.658 -1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.437 -0.829 0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.071 -2.504 -0.230 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.294 0.318 1.421 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.607 -0.518 1.180 1.00 0.00 H new ATOM 471 N TYR A 30 -0.687 -4.040 -3.878 1.00 0.00 N ATOM 472 CA TYR A 30 -1.865 -4.605 -4.567 1.00 0.00 C ATOM 473 C TYR A 30 -1.398 -5.672 -5.559 1.00 0.00 C ATOM 474 O TYR A 30 -2.135 -6.573 -5.909 1.00 0.00 O ATOM 475 CB TYR A 30 -2.514 -3.413 -5.266 1.00 0.00 C ATOM 476 CG TYR A 30 -3.998 -3.488 -5.052 1.00 0.00 C ATOM 477 CD1 TYR A 30 -4.535 -3.071 -3.830 1.00 0.00 C ATOM 478 CD2 TYR A 30 -4.829 -3.986 -6.054 1.00 0.00 C ATOM 479 CE1 TYR A 30 -5.910 -3.150 -3.610 1.00 0.00 C ATOM 480 CE2 TYR A 30 -6.208 -4.068 -5.836 1.00 0.00 C ATOM 481 CZ TYR A 30 -6.749 -3.648 -4.613 1.00 0.00 C ATOM 482 OH TYR A 30 -8.110 -3.733 -4.396 1.00 0.00 O ATOM 0 H TYR A 30 -0.415 -3.103 -4.176 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.574 -5.092 -3.898 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.120 -2.479 -4.866 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.283 -3.426 -6.331 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.885 -2.688 -3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.409 -4.308 -6.996 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.326 -2.827 -2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.855 -4.455 -6.609 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.310 -3.486 -3.469 1.00 0.00 H new ATOM 492 N ALA A 31 -0.158 -5.602 -5.976 1.00 0.00 N ATOM 493 CA ALA A 31 0.382 -6.637 -6.903 1.00 0.00 C ATOM 494 C ALA A 31 0.982 -7.771 -6.067 1.00 0.00 C ATOM 495 O ALA A 31 1.131 -8.889 -6.520 1.00 0.00 O ATOM 496 CB ALA A 31 1.469 -5.929 -7.713 1.00 0.00 C ATOM 0 H ALA A 31 0.502 -4.871 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.377 -7.064 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.913 -6.631 -8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.030 -5.094 -8.259 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.240 -5.556 -7.039 1.00 0.00 H new ATOM 502 N GLU A 32 1.307 -7.478 -4.833 1.00 0.00 N ATOM 503 CA GLU A 32 1.877 -8.509 -3.927 1.00 0.00 C ATOM 504 C GLU A 32 0.759 -9.030 -3.028 1.00 0.00 C ATOM 505 O GLU A 32 0.406 -10.191 -3.073 1.00 0.00 O ATOM 506 CB GLU A 32 2.940 -7.777 -3.105 1.00 0.00 C ATOM 507 CG GLU A 32 3.970 -7.137 -4.041 1.00 0.00 C ATOM 508 CD GLU A 32 5.063 -8.154 -4.373 1.00 0.00 C ATOM 509 OE1 GLU A 32 5.378 -8.959 -3.512 1.00 0.00 O ATOM 510 OE2 GLU A 32 5.569 -8.110 -5.482 1.00 0.00 O ATOM 0 H GLU A 32 1.198 -6.555 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 32 2.308 -9.359 -4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.471 -7.011 -2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.434 -8.475 -2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.484 -6.799 -4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.408 -6.258 -3.569 1.00 0.00 H new ATOM 517 N TYR A 33 0.176 -8.168 -2.236 1.00 0.00 N ATOM 518 CA TYR A 33 -0.953 -8.610 -1.354 1.00 0.00 C ATOM 519 C TYR A 33 -2.287 -8.387 -2.089 1.00 0.00 C ATOM 520 O TYR A 33 -2.703 -7.263 -2.266 1.00 0.00 O ATOM 521 CB TYR A 33 -0.912 -7.737 -0.084 1.00 0.00 C ATOM 522 CG TYR A 33 0.465 -7.150 0.163 1.00 0.00 C ATOM 523 CD1 TYR A 33 1.606 -7.959 0.112 1.00 0.00 C ATOM 524 CD2 TYR A 33 0.588 -5.788 0.461 1.00 0.00 C ATOM 525 CE1 TYR A 33 2.870 -7.400 0.353 1.00 0.00 C ATOM 526 CE2 TYR A 33 1.846 -5.233 0.706 1.00 0.00 C ATOM 527 CZ TYR A 33 2.987 -6.037 0.653 1.00 0.00 C ATOM 528 OH TYR A 33 4.230 -5.489 0.899 1.00 0.00 O ATOM 0 H TYR A 33 0.428 -7.183 -2.159 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.862 -9.666 -1.100 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.638 -6.929 -0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.210 -8.336 0.777 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.514 -9.011 -0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.293 -5.164 0.502 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.753 -8.021 0.307 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.937 -4.182 0.937 1.00 0.00 H new ATOM 0 HH TYR A 33 4.279 -4.596 0.499 1.00 0.00 H new ATOM 538 N PRO A 34 -2.918 -9.459 -2.502 1.00 0.00 N ATOM 539 CA PRO A 34 -4.208 -9.339 -3.231 1.00 0.00 C ATOM 540 C PRO A 34 -5.347 -8.973 -2.275 1.00 0.00 C ATOM 541 O PRO A 34 -5.240 -9.128 -1.075 1.00 0.00 O ATOM 542 CB PRO A 34 -4.421 -10.734 -3.809 1.00 0.00 C ATOM 543 CG PRO A 34 -3.649 -11.652 -2.916 1.00 0.00 C ATOM 544 CD PRO A 34 -2.504 -10.859 -2.342 1.00 0.00 C ATOM 0 HA PRO A 34 -4.192 -8.558 -3.991 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.479 -10.997 -3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.064 -10.793 -4.837 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.285 -12.039 -2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.279 -12.511 -3.475 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.334 -11.107 -1.294 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.574 -11.062 -2.872 1.00 0.00 H new ATOM 552 N SER A 35 -6.444 -8.495 -2.810 1.00 0.00 N ATOM 553 CA SER A 35 -7.612 -8.116 -1.953 1.00 0.00 C ATOM 554 C SER A 35 -7.223 -7.011 -0.970 1.00 0.00 C ATOM 555 O SER A 35 -6.379 -7.200 -0.118 1.00 0.00 O ATOM 556 CB SER A 35 -7.994 -9.394 -1.202 1.00 0.00 C ATOM 557 OG SER A 35 -9.332 -9.282 -0.735 1.00 0.00 O ATOM 0 H SER A 35 -6.582 -8.350 -3.810 1.00 0.00 H new ATOM 0 HA SER A 35 -8.441 -7.730 -2.546 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.897 -10.258 -1.859 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.316 -9.553 -0.363 1.00 0.00 H new ATOM 0 HG SER A 35 -9.580 -10.100 -0.255 1.00 0.00 H new ATOM 563 N THR A 36 -7.839 -5.860 -1.075 1.00 0.00 N ATOM 564 CA THR A 36 -7.502 -4.746 -0.137 1.00 0.00 C ATOM 565 C THR A 36 -7.595 -5.235 1.309 1.00 0.00 C ATOM 566 O THR A 36 -6.888 -4.772 2.179 1.00 0.00 O ATOM 567 CB THR A 36 -8.539 -3.658 -0.388 1.00 0.00 C ATOM 568 OG1 THR A 36 -8.685 -3.446 -1.785 1.00 0.00 O ATOM 569 CG2 THR A 36 -8.080 -2.372 0.286 1.00 0.00 C ATOM 0 H THR A 36 -8.557 -5.644 -1.766 1.00 0.00 H new ATOM 0 HA THR A 36 -6.489 -4.378 -0.298 1.00 0.00 H new ATOM 0 HB THR A 36 -9.501 -3.964 0.023 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.353 -2.747 -1.942 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.816 -1.587 0.112 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.976 -2.540 1.358 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.119 -2.067 -0.129 1.00 0.00 H new ATOM 577 N ARG A 37 -8.457 -6.175 1.563 1.00 0.00 N ATOM 578 CA ARG A 37 -8.591 -6.711 2.947 1.00 0.00 C ATOM 579 C ARG A 37 -7.272 -7.377 3.352 1.00 0.00 C ATOM 580 O ARG A 37 -6.664 -7.014 4.339 1.00 0.00 O ATOM 581 CB ARG A 37 -9.735 -7.721 2.851 1.00 0.00 C ATOM 582 CG ARG A 37 -9.778 -8.603 4.101 1.00 0.00 C ATOM 583 CD ARG A 37 -10.762 -9.752 3.873 1.00 0.00 C ATOM 584 NE ARG A 37 -11.487 -9.901 5.164 1.00 0.00 N ATOM 585 CZ ARG A 37 -10.976 -10.629 6.118 1.00 0.00 C ATOM 586 NH1 ARG A 37 -10.509 -11.818 5.853 1.00 0.00 N ATOM 587 NH2 ARG A 37 -10.934 -10.166 7.337 1.00 0.00 N ATOM 0 H ARG A 37 -9.077 -6.598 0.872 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.801 -5.950 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.683 -7.196 2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.606 -8.342 1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.785 -8.997 4.317 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.083 -8.014 4.966 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.450 -9.527 3.058 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.240 -10.671 3.605 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.383 -9.434 5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.543 -12.179 4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.109 -12.387 6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.300 -9.236 7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.535 -10.734 8.085 1.00 0.00 H new ATOM 601 N LYS A 38 -6.808 -8.325 2.578 1.00 0.00 N ATOM 602 CA LYS A 38 -5.509 -8.974 2.908 1.00 0.00 C ATOM 603 C LYS A 38 -4.385 -7.972 2.636 1.00 0.00 C ATOM 604 O LYS A 38 -3.293 -8.078 3.159 1.00 0.00 O ATOM 605 CB LYS A 38 -5.404 -10.179 1.973 1.00 0.00 C ATOM 606 CG LYS A 38 -5.687 -11.458 2.759 1.00 0.00 C ATOM 607 CD LYS A 38 -7.195 -11.591 2.988 1.00 0.00 C ATOM 608 CE LYS A 38 -7.459 -12.614 4.098 1.00 0.00 C ATOM 609 NZ LYS A 38 -6.923 -11.985 5.340 1.00 0.00 N ATOM 0 H LYS A 38 -7.270 -8.674 1.738 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.438 -9.286 3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.114 -10.079 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.409 -10.224 1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.313 -12.324 2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.164 -11.434 3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.618 -10.625 3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.687 -11.904 2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.524 -12.828 4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.961 -13.561 3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.530 -12.236 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.957 -12.329 5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.908 -10.951 5.227 1.00 0.00 H new ATOM 623 N LEU A 39 -4.671 -6.973 1.841 1.00 0.00 N ATOM 624 CA LEU A 39 -3.661 -5.919 1.538 1.00 0.00 C ATOM 625 C LEU A 39 -3.417 -5.126 2.818 1.00 0.00 C ATOM 626 O LEU A 39 -2.304 -4.972 3.280 1.00 0.00 O ATOM 627 CB LEU A 39 -4.360 -5.036 0.487 1.00 0.00 C ATOM 628 CG LEU A 39 -3.400 -4.043 -0.194 1.00 0.00 C ATOM 629 CD1 LEU A 39 -2.306 -3.576 0.766 1.00 0.00 C ATOM 630 CD2 LEU A 39 -2.769 -4.705 -1.418 1.00 0.00 C ATOM 0 H LEU A 39 -5.574 -6.843 1.384 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.703 -6.300 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.814 -5.673 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.169 -4.483 0.964 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.973 -3.167 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.646 -2.876 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.762 -3.082 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.729 -4.436 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.089 -4.003 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.215 -5.591 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.552 -4.993 -2.120 1.00 0.00 H new ATOM 642 N ALA A 40 -4.475 -4.629 3.381 1.00 0.00 N ATOM 643 CA ALA A 40 -4.379 -3.835 4.635 1.00 0.00 C ATOM 644 C ALA A 40 -3.961 -4.722 5.812 1.00 0.00 C ATOM 645 O ALA A 40 -3.516 -4.237 6.837 1.00 0.00 O ATOM 646 CB ALA A 40 -5.794 -3.299 4.852 1.00 0.00 C ATOM 0 H ALA A 40 -5.422 -4.740 3.020 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.633 -3.043 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.820 -2.697 5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.084 -2.683 4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.488 -4.134 4.950 1.00 0.00 H new ATOM 652 N GLN A 41 -4.111 -6.016 5.680 1.00 0.00 N ATOM 653 CA GLN A 41 -3.729 -6.930 6.797 1.00 0.00 C ATOM 654 C GLN A 41 -2.212 -6.922 6.993 1.00 0.00 C ATOM 655 O GLN A 41 -1.721 -7.039 8.099 1.00 0.00 O ATOM 656 CB GLN A 41 -4.205 -8.317 6.363 1.00 0.00 C ATOM 657 CG GLN A 41 -4.456 -9.178 7.604 1.00 0.00 C ATOM 658 CD GLN A 41 -5.840 -9.817 7.510 1.00 0.00 C ATOM 659 OE1 GLN A 41 -6.762 -9.226 6.983 1.00 0.00 O ATOM 660 NE2 GLN A 41 -6.028 -11.010 8.001 1.00 0.00 N ATOM 0 H GLN A 41 -4.481 -6.477 4.849 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.174 -6.626 7.745 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.118 -8.233 5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.457 -8.788 5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.692 -9.951 7.684 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.386 -8.567 8.504 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.255 -11.507 8.444 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.948 -11.446 7.943 1.00 0.00 H new ATOM 669 N ARG A 42 -1.466 -6.781 5.932 1.00 0.00 N ATOM 670 CA ARG A 42 0.021 -6.763 6.062 1.00 0.00 C ATOM 671 C ARG A 42 0.514 -5.327 6.247 1.00 0.00 C ATOM 672 O ARG A 42 1.487 -5.079 6.927 1.00 0.00 O ATOM 673 CB ARG A 42 0.543 -7.344 4.746 1.00 0.00 C ATOM 674 CG ARG A 42 1.090 -8.755 4.984 1.00 0.00 C ATOM 675 CD ARG A 42 2.449 -8.905 4.294 1.00 0.00 C ATOM 676 NE ARG A 42 3.414 -9.165 5.398 1.00 0.00 N ATOM 677 CZ ARG A 42 3.653 -10.390 5.780 1.00 0.00 C ATOM 678 NH1 ARG A 42 4.171 -11.245 4.942 1.00 0.00 N ATOM 679 NH2 ARG A 42 3.374 -10.759 7.001 1.00 0.00 N ATOM 0 H ARG A 42 -1.820 -6.677 4.981 1.00 0.00 H new ATOM 0 HA ARG A 42 0.368 -7.334 6.923 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.258 -7.374 4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.326 -6.704 4.340 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.192 -8.940 6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.391 -9.496 4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.439 -9.726 3.577 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.714 -8.003 3.743 1.00 0.00 H new ATOM 0 HE ARG A 42 3.888 -8.386 5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.389 -10.956 3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.358 -12.202 5.240 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.969 -10.090 7.656 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.561 -11.716 7.300 1.00 0.00 H new ATOM 693 N LEU A 43 -0.153 -4.387 5.640 1.00 0.00 N ATOM 694 CA LEU A 43 0.264 -2.960 5.769 1.00 0.00 C ATOM 695 C LEU A 43 -0.294 -2.339 7.053 1.00 0.00 C ATOM 696 O LEU A 43 -0.146 -1.155 7.289 1.00 0.00 O ATOM 697 CB LEU A 43 -0.310 -2.284 4.523 1.00 0.00 C ATOM 698 CG LEU A 43 0.763 -2.171 3.416 1.00 0.00 C ATOM 699 CD1 LEU A 43 1.585 -0.897 3.608 1.00 0.00 C ATOM 700 CD2 LEU A 43 1.711 -3.376 3.448 1.00 0.00 C ATOM 0 H LEU A 43 -0.974 -4.545 5.056 1.00 0.00 H new ATOM 0 HA LEU A 43 1.346 -2.845 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.161 -2.855 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.680 -1.291 4.780 1.00 0.00 H new ATOM 0 HG LEU A 43 0.249 -2.143 2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.338 -0.828 2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.928 -0.029 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.077 -0.924 4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.457 -3.273 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.210 -3.421 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.141 -4.292 3.291 1.00 0.00 H new ATOM 712 N GLY A 44 -0.920 -3.127 7.893 1.00 0.00 N ATOM 713 CA GLY A 44 -1.471 -2.584 9.172 1.00 0.00 C ATOM 714 C GLY A 44 -2.317 -1.341 8.892 1.00 0.00 C ATOM 715 O GLY A 44 -1.868 -0.224 9.057 1.00 0.00 O ATOM 0 H GLY A 44 -1.073 -4.125 7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.077 -3.342 9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.656 -2.334 9.851 1.00 0.00 H new ATOM 719 N VAL A 45 -3.534 -1.529 8.467 1.00 0.00 N ATOM 720 CA VAL A 45 -4.406 -0.355 8.168 1.00 0.00 C ATOM 721 C VAL A 45 -5.882 -0.745 8.298 1.00 0.00 C ATOM 722 O VAL A 45 -6.212 -1.893 8.523 1.00 0.00 O ATOM 723 CB VAL A 45 -4.073 0.051 6.725 1.00 0.00 C ATOM 724 CG1 VAL A 45 -3.108 1.236 6.742 1.00 0.00 C ATOM 725 CG2 VAL A 45 -3.422 -1.115 5.973 1.00 0.00 C ATOM 0 H VAL A 45 -3.964 -2.441 8.313 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.234 0.468 8.862 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.998 0.326 6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.870 1.526 5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.572 2.076 7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.192 0.952 7.261 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.194 -0.808 4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.501 -1.406 6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.107 -1.962 5.952 1.00 0.00 H new ATOM 735 N SER A 46 -6.773 0.203 8.161 1.00 0.00 N ATOM 736 CA SER A 46 -8.231 -0.111 8.283 1.00 0.00 C ATOM 737 C SER A 46 -8.803 -0.563 6.934 1.00 0.00 C ATOM 738 O SER A 46 -9.928 -0.254 6.594 1.00 0.00 O ATOM 739 CB SER A 46 -8.882 1.198 8.727 1.00 0.00 C ATOM 740 OG SER A 46 -10.221 0.941 9.128 1.00 0.00 O ATOM 0 H SER A 46 -6.556 1.181 7.970 1.00 0.00 H new ATOM 0 HA SER A 46 -8.415 -0.922 8.988 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.320 1.636 9.552 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.866 1.921 7.911 1.00 0.00 H new ATOM 0 HG SER A 46 -10.697 0.484 8.404 1.00 0.00 H new ATOM 746 N HIS A 47 -8.032 -1.294 6.171 1.00 0.00 N ATOM 747 CA HIS A 47 -8.494 -1.785 4.839 1.00 0.00 C ATOM 748 C HIS A 47 -9.172 -0.680 4.022 1.00 0.00 C ATOM 749 O HIS A 47 -8.538 -0.027 3.225 1.00 0.00 O ATOM 750 CB HIS A 47 -9.480 -2.922 5.135 1.00 0.00 C ATOM 751 CG HIS A 47 -10.191 -3.280 3.860 1.00 0.00 C ATOM 752 ND1 HIS A 47 -11.299 -4.101 3.818 1.00 0.00 N ATOM 753 CD2 HIS A 47 -9.962 -2.897 2.565 1.00 0.00 C ATOM 754 CE1 HIS A 47 -11.686 -4.179 2.531 1.00 0.00 C ATOM 755 NE2 HIS A 47 -10.904 -3.465 1.729 1.00 0.00 N ATOM 0 H HIS A 47 -7.084 -1.576 6.420 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.649 -2.121 4.238 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.951 -3.789 5.530 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.198 -2.613 5.895 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -11.742 -4.562 4.613 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.162 -2.246 2.244 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.534 -4.755 2.190 1.00 0.00 H new ATOM 763 N THR A 48 -10.457 -0.487 4.184 1.00 0.00 N ATOM 764 CA THR A 48 -11.157 0.556 3.380 1.00 0.00 C ATOM 765 C THR A 48 -10.305 1.820 3.323 1.00 0.00 C ATOM 766 O THR A 48 -10.185 2.460 2.296 1.00 0.00 O ATOM 767 CB THR A 48 -12.461 0.836 4.112 1.00 0.00 C ATOM 768 OG1 THR A 48 -12.815 -0.282 4.917 1.00 0.00 O ATOM 769 CG2 THR A 48 -13.567 1.105 3.094 1.00 0.00 C ATOM 0 H THR A 48 -11.047 -1.005 4.835 1.00 0.00 H new ATOM 0 HA THR A 48 -11.335 0.229 2.355 1.00 0.00 H new ATOM 0 HB THR A 48 -12.333 1.709 4.752 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.654 -0.094 5.387 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.502 1.306 3.617 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.299 1.969 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.691 0.233 2.452 1.00 0.00 H new ATOM 777 N ALA A 49 -9.689 2.165 4.421 1.00 0.00 N ATOM 778 CA ALA A 49 -8.818 3.370 4.436 1.00 0.00 C ATOM 779 C ALA A 49 -7.744 3.214 3.362 1.00 0.00 C ATOM 780 O ALA A 49 -7.404 4.147 2.661 1.00 0.00 O ATOM 781 CB ALA A 49 -8.191 3.390 5.833 1.00 0.00 C ATOM 0 H ALA A 49 -9.752 1.663 5.307 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.359 4.294 4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.532 4.253 5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.978 3.454 6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.616 2.477 5.987 1.00 0.00 H new ATOM 787 N ILE A 50 -7.221 2.023 3.221 1.00 0.00 N ATOM 788 CA ILE A 50 -6.182 1.779 2.187 1.00 0.00 C ATOM 789 C ILE A 50 -6.830 1.718 0.802 1.00 0.00 C ATOM 790 O ILE A 50 -6.351 2.319 -0.138 1.00 0.00 O ATOM 791 CB ILE A 50 -5.516 0.439 2.575 1.00 0.00 C ATOM 792 CG1 ILE A 50 -4.017 0.539 2.274 1.00 0.00 C ATOM 793 CG2 ILE A 50 -6.119 -0.739 1.790 1.00 0.00 C ATOM 794 CD1 ILE A 50 -3.339 -0.820 2.476 1.00 0.00 C ATOM 0 H ILE A 50 -7.473 1.209 3.782 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.440 2.576 2.142 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.688 0.255 3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.867 0.878 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.558 1.282 2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.627 -1.665 2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.186 -0.810 2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.972 -0.578 0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.275 -0.732 2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.472 -1.143 3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.787 -1.553 1.805 1.00 0.00 H new ATOM 806 N ALA A 51 -7.921 1.007 0.666 1.00 0.00 N ATOM 807 CA ALA A 51 -8.585 0.918 -0.666 1.00 0.00 C ATOM 808 C ALA A 51 -8.856 2.321 -1.200 1.00 0.00 C ATOM 809 O ALA A 51 -8.530 2.636 -2.328 1.00 0.00 O ATOM 810 CB ALA A 51 -9.899 0.173 -0.421 1.00 0.00 C ATOM 0 H ALA A 51 -8.377 0.488 1.416 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.967 0.403 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.441 0.072 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.686 -0.816 -0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.507 0.732 0.290 1.00 0.00 H new ATOM 816 N ASN A 52 -9.439 3.175 -0.392 1.00 0.00 N ATOM 817 CA ASN A 52 -9.710 4.568 -0.855 1.00 0.00 C ATOM 818 C ASN A 52 -8.437 5.149 -1.471 1.00 0.00 C ATOM 819 O ASN A 52 -8.479 5.866 -2.452 1.00 0.00 O ATOM 820 CB ASN A 52 -10.107 5.335 0.408 1.00 0.00 C ATOM 821 CG ASN A 52 -11.270 6.273 0.093 1.00 0.00 C ATOM 822 OD1 ASN A 52 -11.067 7.396 -0.325 1.00 0.00 O ATOM 823 ND2 ASN A 52 -12.491 5.855 0.275 1.00 0.00 N ATOM 0 H ASN A 52 -9.736 2.967 0.561 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.491 4.622 -1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.392 4.637 1.195 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.257 5.906 0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -13.277 6.471 0.067 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -12.660 4.912 0.626 1.00 0.00 H new ATOM 830 N LYS A 53 -7.303 4.813 -0.917 1.00 0.00 N ATOM 831 CA LYS A 53 -6.021 5.310 -1.486 1.00 0.00 C ATOM 832 C LYS A 53 -5.700 4.499 -2.741 1.00 0.00 C ATOM 833 O LYS A 53 -5.314 5.038 -3.759 1.00 0.00 O ATOM 834 CB LYS A 53 -4.973 5.067 -0.399 1.00 0.00 C ATOM 835 CG LYS A 53 -5.294 5.928 0.824 1.00 0.00 C ATOM 836 CD LYS A 53 -4.501 7.234 0.751 1.00 0.00 C ATOM 837 CE LYS A 53 -5.146 8.273 1.670 1.00 0.00 C ATOM 838 NZ LYS A 53 -4.755 7.866 3.050 1.00 0.00 N ATOM 0 H LYS A 53 -7.211 4.216 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.056 6.363 -1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.960 4.013 -0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.980 5.309 -0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.362 6.141 0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.044 5.389 1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.467 7.061 1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.480 7.603 -0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.791 9.278 1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.230 8.283 1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.610 7.670 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.167 7.010 3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.216 8.634 3.499 1.00 0.00 H new ATOM 852 N LEU A 54 -5.880 3.203 -2.678 1.00 0.00 N ATOM 853 CA LEU A 54 -5.605 2.349 -3.872 1.00 0.00 C ATOM 854 C LEU A 54 -6.443 2.844 -5.055 1.00 0.00 C ATOM 855 O LEU A 54 -5.916 3.250 -6.071 1.00 0.00 O ATOM 856 CB LEU A 54 -6.035 0.929 -3.474 1.00 0.00 C ATOM 857 CG LEU A 54 -4.882 0.160 -2.800 1.00 0.00 C ATOM 858 CD1 LEU A 54 -3.589 0.318 -3.595 1.00 0.00 C ATOM 859 CD2 LEU A 54 -4.665 0.692 -1.389 1.00 0.00 C ATOM 0 H LEU A 54 -6.205 2.701 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.557 2.380 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.885 0.982 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.368 0.387 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.150 -0.896 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.789 -0.233 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.731 -0.073 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.323 1.373 -3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.849 0.146 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.414 1.752 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.576 0.560 -0.806 1.00 0.00 H new ATOM 871 N LYS A 55 -7.747 2.825 -4.927 1.00 0.00 N ATOM 872 CA LYS A 55 -8.611 3.304 -6.048 1.00 0.00 C ATOM 873 C LYS A 55 -8.162 4.698 -6.489 1.00 0.00 C ATOM 874 O LYS A 55 -8.093 4.997 -7.665 1.00 0.00 O ATOM 875 CB LYS A 55 -10.027 3.352 -5.473 1.00 0.00 C ATOM 876 CG LYS A 55 -11.027 2.914 -6.545 1.00 0.00 C ATOM 877 CD LYS A 55 -12.447 2.992 -5.982 1.00 0.00 C ATOM 878 CE LYS A 55 -12.860 4.460 -5.838 1.00 0.00 C ATOM 879 NZ LYS A 55 -14.342 4.459 -5.997 1.00 0.00 N ATOM 0 H LYS A 55 -8.247 2.500 -4.100 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.554 2.655 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.100 2.699 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.260 4.362 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.937 3.553 -7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.808 1.896 -6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.140 2.471 -6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.494 2.493 -5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.567 4.859 -4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.382 5.081 -6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.701 5.431 -5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.590 4.080 -6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.770 3.865 -5.258 1.00 0.00 H new ATOM 893 N GLN A 56 -7.846 5.548 -5.549 1.00 0.00 N ATOM 894 CA GLN A 56 -7.391 6.922 -5.909 1.00 0.00 C ATOM 895 C GLN A 56 -6.115 6.852 -6.757 1.00 0.00 C ATOM 896 O GLN A 56 -5.963 7.577 -7.721 1.00 0.00 O ATOM 897 CB GLN A 56 -7.108 7.612 -4.573 1.00 0.00 C ATOM 898 CG GLN A 56 -6.798 9.091 -4.818 1.00 0.00 C ATOM 899 CD GLN A 56 -7.103 9.895 -3.552 1.00 0.00 C ATOM 900 OE1 GLN A 56 -6.232 10.542 -3.007 1.00 0.00 O ATOM 901 NE2 GLN A 56 -8.311 9.881 -3.058 1.00 0.00 N ATOM 0 H GLN A 56 -7.883 5.351 -4.549 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.135 7.461 -6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.969 7.515 -3.912 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.267 7.131 -4.074 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.751 9.213 -5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.393 9.465 -5.651 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.043 9.338 -3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.523 10.414 -2.214 1.00 0.00 H new ATOM 910 N TYR A 57 -5.200 5.978 -6.415 1.00 0.00 N ATOM 911 CA TYR A 57 -3.941 5.864 -7.207 1.00 0.00 C ATOM 912 C TYR A 57 -4.193 5.100 -8.517 1.00 0.00 C ATOM 913 O TYR A 57 -3.275 4.822 -9.264 1.00 0.00 O ATOM 914 CB TYR A 57 -2.978 5.088 -6.304 1.00 0.00 C ATOM 915 CG TYR A 57 -2.546 5.970 -5.154 1.00 0.00 C ATOM 916 CD1 TYR A 57 -2.002 7.235 -5.411 1.00 0.00 C ATOM 917 CD2 TYR A 57 -2.686 5.526 -3.831 1.00 0.00 C ATOM 918 CE1 TYR A 57 -1.602 8.056 -4.349 1.00 0.00 C ATOM 919 CE2 TYR A 57 -2.282 6.348 -2.770 1.00 0.00 C ATOM 920 CZ TYR A 57 -1.741 7.611 -3.030 1.00 0.00 C ATOM 921 OH TYR A 57 -1.349 8.423 -1.985 1.00 0.00 O ATOM 0 H TYR A 57 -5.273 5.340 -5.622 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.543 6.839 -7.489 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.463 4.189 -5.925 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.108 4.764 -6.875 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.891 7.578 -6.429 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.105 4.551 -3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.186 9.033 -4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.389 6.006 -1.751 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.514 7.964 -1.135 1.00 0.00 H new ATOM 931 N GLY A 58 -5.424 4.756 -8.798 1.00 0.00 N ATOM 932 CA GLY A 58 -5.726 4.009 -10.050 1.00 0.00 C ATOM 933 C GLY A 58 -5.486 2.519 -9.813 1.00 0.00 C ATOM 934 O GLY A 58 -5.166 1.778 -10.720 1.00 0.00 O ATOM 0 H GLY A 58 -6.233 4.962 -8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.760 4.180 -10.350 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.095 4.367 -10.863 1.00 0.00 H new ATOM 938 N ILE A 59 -5.628 2.079 -8.591 1.00 0.00 N ATOM 939 CA ILE A 59 -5.398 0.637 -8.280 1.00 0.00 C ATOM 940 C ILE A 59 -6.702 -0.151 -8.370 1.00 0.00 C ATOM 941 O ILE A 59 -7.781 0.408 -8.393 1.00 0.00 O ATOM 942 CB ILE A 59 -4.865 0.609 -6.850 1.00 0.00 C ATOM 943 CG1 ILE A 59 -3.755 1.661 -6.691 1.00 0.00 C ATOM 944 CG2 ILE A 59 -4.308 -0.790 -6.554 1.00 0.00 C ATOM 945 CD1 ILE A 59 -2.557 1.271 -7.545 1.00 0.00 C ATOM 0 H ILE A 59 -5.894 2.656 -7.793 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.703 0.182 -8.986 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.669 0.837 -6.150 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.124 2.642 -6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.459 1.737 -5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.924 -0.821 -5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.102 -1.529 -6.666 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.502 -1.016 -7.252 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.771 2.017 -7.432 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.183 0.299 -7.225 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.858 1.217 -8.591 1.00 0.00 H new ATOM 957 N GLY A 60 -6.602 -1.450 -8.419 1.00 0.00 N ATOM 958 CA GLY A 60 -7.828 -2.298 -8.504 1.00 0.00 C ATOM 959 C GLY A 60 -8.354 -2.305 -9.941 1.00 0.00 C ATOM 960 O GLY A 60 -8.461 -3.341 -10.568 1.00 0.00 O ATOM 0 H GLY A 60 -5.721 -1.965 -8.404 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.601 -3.315 -8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.593 -1.916 -7.829 1.00 0.00 H new ATOM 964 N LYS A 61 -8.687 -1.154 -10.467 1.00 0.00 N ATOM 965 CA LYS A 61 -9.209 -1.088 -11.867 1.00 0.00 C ATOM 966 C LYS A 61 -8.235 -1.768 -12.834 1.00 0.00 C ATOM 967 O LYS A 61 -7.151 -2.125 -12.401 1.00 0.00 O ATOM 968 CB LYS A 61 -9.315 0.406 -12.180 1.00 0.00 C ATOM 969 CG LYS A 61 -10.702 0.916 -11.784 1.00 0.00 C ATOM 970 CD LYS A 61 -10.785 2.422 -12.050 1.00 0.00 C ATOM 971 CE LYS A 61 -12.105 2.968 -11.501 1.00 0.00 C ATOM 972 NZ LYS A 61 -12.055 2.709 -10.033 1.00 0.00 N ATOM 973 OXT LYS A 61 -8.588 -1.917 -13.992 1.00 0.00 O ATOM 0 H LYS A 61 -8.620 -0.256 -9.988 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.166 -1.599 -11.972 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.546 0.957 -11.639 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.143 0.578 -13.242 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.470 0.392 -12.353 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.890 0.711 -10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.945 2.932 -11.578 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.716 2.617 -13.120 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.208 4.033 -11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.959 2.469 -11.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.614 3.430 -9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.448 1.767 -9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.068 2.749 -9.707 1.00 0.00 H new TER 987 LYS A 61