USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 438 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 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 15 SER OG : rot -137:sc= 0.18 USER MOD Set 2.2: A 16 SER OG : rot 180:sc= -0.0565 USER MOD Set 2.3: A 32 LYS NZ :NH3+ -163:sc= -0.0601 (180deg=-0.457) USER MOD Set 2.4: A 35 ASN : amide:sc= -2.93! C(o=-2.9!,f=-5.3!) USER MOD Single : A 1 ASN : amide:sc= -0.0781 X(o=-0.078,f=-0.078) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0.697 K(o=0.7,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.8!) USER MOD Single : A 19 LYS NZ :NH3+ -133:sc= -3.89! (180deg=-8.51!) USER MOD Single : A 20 THR OG1 : rot -120:sc= -0.445 USER MOD Single : A 23 THR OG1 : rot -8:sc= 0.259 USER MOD Single : A 25 ASN : amide:sc= -0.658 K(o=-0.66,f=-0.12) USER MOD Single : A 26 LYS NZ :NH3+ -125:sc= -0.392 (180deg=-0.514) USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= -0.0513 (180deg=-0.472) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -39:sc= 0.2 USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= -0.0609 (180deg=-0.499) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0193 USER MOD Single : A 49 LYS NZ :NH3+ -109:sc= 0.358 (180deg=-0.517) USER MOD Single : A 51 SER OG : rot 130:sc= 0.158 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -0.531 X(o=-0.53,f=-0.88) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= -0.0183 (180deg=-0.407) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 32.620 14.753 -9.701 1.00 0.00 N ATOM 2 CA ASN A 1 33.007 15.016 -8.288 1.00 0.00 C ATOM 3 C ASN A 1 34.510 15.341 -8.247 1.00 0.00 C ATOM 4 O ASN A 1 35.323 14.564 -7.782 1.00 0.00 O ATOM 5 CB ASN A 1 32.684 13.762 -7.433 1.00 0.00 C ATOM 6 CG ASN A 1 33.060 14.014 -5.965 1.00 0.00 C ATOM 7 OD1 ASN A 1 33.968 13.411 -5.429 1.00 0.00 O ATOM 8 ND2 ASN A 1 32.387 14.900 -5.281 1.00 0.00 N ATOM 0 H1 ASN A 1 31.605 14.531 -9.747 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.817 15.596 -10.278 1.00 0.00 H new ATOM 0 H3 ASN A 1 33.167 13.948 -10.067 1.00 0.00 H new ATOM 0 HA ASN A 1 32.451 15.861 -7.882 1.00 0.00 H new ATOM 0 HB2 ASN A 1 31.623 13.524 -7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 1 33.233 12.901 -7.815 1.00 0.00 H new ATOM 0 HD21 ASN A 1 32.626 15.080 -4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 1 31.623 15.412 -5.722 1.00 0.00 H new ATOM 17 N PHE A 2 34.822 16.508 -8.749 1.00 0.00 N ATOM 18 CA PHE A 2 36.241 16.990 -8.791 1.00 0.00 C ATOM 19 C PHE A 2 36.559 17.828 -7.541 1.00 0.00 C ATOM 20 O PHE A 2 37.429 18.677 -7.548 1.00 0.00 O ATOM 21 CB PHE A 2 36.427 17.823 -10.090 1.00 0.00 C ATOM 22 CG PHE A 2 35.452 19.018 -10.118 1.00 0.00 C ATOM 23 CD1 PHE A 2 34.162 18.859 -10.594 1.00 0.00 C ATOM 24 CD2 PHE A 2 35.850 20.265 -9.669 1.00 0.00 C ATOM 25 CE1 PHE A 2 33.287 19.924 -10.619 1.00 0.00 C ATOM 26 CE2 PHE A 2 34.976 21.331 -9.695 1.00 0.00 C ATOM 27 CZ PHE A 2 33.693 21.162 -10.170 1.00 0.00 C ATOM 0 H PHE A 2 34.143 17.161 -9.139 1.00 0.00 H new ATOM 0 HA PHE A 2 36.930 16.146 -8.796 1.00 0.00 H new ATOM 0 HB2 PHE A 2 37.454 18.184 -10.152 1.00 0.00 H new ATOM 0 HB3 PHE A 2 36.258 17.190 -10.961 1.00 0.00 H new ATOM 0 HD1 PHE A 2 33.838 17.892 -10.949 1.00 0.00 H new ATOM 0 HD2 PHE A 2 36.854 20.404 -9.295 1.00 0.00 H new ATOM 0 HE1 PHE A 2 32.282 19.788 -10.991 1.00 0.00 H new ATOM 0 HE2 PHE A 2 35.297 22.300 -9.343 1.00 0.00 H new ATOM 0 HZ PHE A 2 33.008 21.997 -10.190 1.00 0.00 H new ATOM 37 N VAL A 3 35.825 17.538 -6.498 1.00 0.00 N ATOM 38 CA VAL A 3 35.988 18.250 -5.194 1.00 0.00 C ATOM 39 C VAL A 3 36.957 17.470 -4.291 1.00 0.00 C ATOM 40 O VAL A 3 36.968 16.253 -4.297 1.00 0.00 O ATOM 41 CB VAL A 3 34.589 18.373 -4.532 1.00 0.00 C ATOM 42 CG1 VAL A 3 34.691 19.134 -3.188 1.00 0.00 C ATOM 43 CG2 VAL A 3 33.631 19.144 -5.474 1.00 0.00 C ATOM 0 H VAL A 3 35.101 16.819 -6.496 1.00 0.00 H new ATOM 0 HA VAL A 3 36.406 19.245 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 3 34.205 17.370 -4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 3 33.701 19.211 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 3 35.356 18.594 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 3 35.088 20.134 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 3 32.650 19.228 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 3 34.030 20.141 -5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 3 33.538 18.606 -6.418 1.00 0.00 H new ATOM 53 N CYS A 4 37.736 18.214 -3.546 1.00 0.00 N ATOM 54 CA CYS A 4 38.742 17.628 -2.604 1.00 0.00 C ATOM 55 C CYS A 4 38.774 18.267 -1.213 1.00 0.00 C ATOM 56 O CYS A 4 38.249 19.347 -1.024 1.00 0.00 O ATOM 57 CB CYS A 4 40.129 17.720 -3.276 1.00 0.00 C ATOM 58 SG CYS A 4 40.396 16.396 -4.476 1.00 0.00 S ATOM 0 H CYS A 4 37.716 19.234 -3.552 1.00 0.00 H new ATOM 0 HA CYS A 4 38.448 16.595 -2.419 1.00 0.00 H new ATOM 0 HB2 CYS A 4 40.226 18.685 -3.774 1.00 0.00 H new ATOM 0 HB3 CYS A 4 40.905 17.677 -2.511 1.00 0.00 H new ATOM 63 N PRO A 5 39.395 17.574 -0.276 1.00 0.00 N ATOM 64 CA PRO A 5 39.295 17.932 1.152 1.00 0.00 C ATOM 65 C PRO A 5 39.977 19.278 1.456 1.00 0.00 C ATOM 66 O PRO A 5 40.583 19.836 0.565 1.00 0.00 O ATOM 67 CB PRO A 5 39.993 16.765 1.897 1.00 0.00 C ATOM 68 CG PRO A 5 40.308 15.729 0.869 1.00 0.00 C ATOM 69 CD PRO A 5 40.263 16.389 -0.472 1.00 0.00 C ATOM 0 HA PRO A 5 38.259 18.062 1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 5 40.902 17.109 2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 5 39.344 16.357 2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 5 41.293 15.298 1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 5 39.588 14.912 0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 5 41.260 16.678 -0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 5 39.855 15.720 -1.230 1.00 0.00 H new ATOM 77 N PRO A 6 39.873 19.764 2.672 1.00 0.00 N ATOM 78 CA PRO A 6 40.457 21.056 3.098 1.00 0.00 C ATOM 79 C PRO A 6 41.902 21.274 2.627 1.00 0.00 C ATOM 80 O PRO A 6 42.193 22.251 1.967 1.00 0.00 O ATOM 81 CB PRO A 6 40.419 20.950 4.642 1.00 0.00 C ATOM 82 CG PRO A 6 40.116 19.514 4.911 1.00 0.00 C ATOM 83 CD PRO A 6 39.185 19.154 3.821 1.00 0.00 C ATOM 0 HA PRO A 6 39.908 21.897 2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 6 41.371 21.244 5.083 1.00 0.00 H new ATOM 0 HB3 PRO A 6 39.656 21.603 5.066 1.00 0.00 H new ATOM 0 HG2 PRO A 6 41.017 18.902 4.889 1.00 0.00 H new ATOM 0 HG3 PRO A 6 39.660 19.376 5.892 1.00 0.00 H new ATOM 0 HD2 PRO A 6 39.071 18.075 3.712 1.00 0.00 H new ATOM 0 HD3 PRO A 6 38.188 19.566 3.974 1.00 0.00 H new ATOM 91 N GLY A 7 42.735 20.337 2.995 1.00 0.00 N ATOM 92 CA GLY A 7 44.180 20.388 2.631 1.00 0.00 C ATOM 93 C GLY A 7 44.469 20.411 1.123 1.00 0.00 C ATOM 94 O GLY A 7 45.573 20.742 0.736 1.00 0.00 O ATOM 0 H GLY A 7 42.467 19.521 3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 7 44.622 21.275 3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 7 44.680 19.524 3.068 1.00 0.00 H new ATOM 98 N GLN A 8 43.493 20.068 0.315 1.00 0.00 N ATOM 99 CA GLN A 8 43.706 20.065 -1.169 1.00 0.00 C ATOM 100 C GLN A 8 42.689 20.946 -1.889 1.00 0.00 C ATOM 101 O GLN A 8 41.563 21.112 -1.462 1.00 0.00 O ATOM 102 CB GLN A 8 43.590 18.622 -1.688 1.00 0.00 C ATOM 103 CG GLN A 8 44.682 17.750 -1.044 1.00 0.00 C ATOM 104 CD GLN A 8 44.549 16.310 -1.548 1.00 0.00 C ATOM 105 OE1 GLN A 8 44.923 15.985 -2.658 1.00 0.00 O ATOM 106 NE2 GLN A 8 44.019 15.421 -0.755 1.00 0.00 N ATOM 0 H GLN A 8 42.559 19.790 0.618 1.00 0.00 H new ATOM 0 HA GLN A 8 44.698 20.468 -1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 8 42.605 18.219 -1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 8 43.691 18.606 -2.773 1.00 0.00 H new ATOM 0 HG2 GLN A 8 45.668 18.143 -1.290 1.00 0.00 H new ATOM 0 HG3 GLN A 8 44.590 17.776 0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 8 43.705 15.692 0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 8 43.919 14.455 -1.066 1.00 0.00 H new ATOM 115 N THR A 9 43.151 21.484 -2.983 1.00 0.00 N ATOM 116 CA THR A 9 42.326 22.383 -3.841 1.00 0.00 C ATOM 117 C THR A 9 42.759 22.154 -5.289 1.00 0.00 C ATOM 118 O THR A 9 43.557 21.281 -5.573 1.00 0.00 O ATOM 119 CB THR A 9 42.588 23.863 -3.455 1.00 0.00 C ATOM 120 OG1 THR A 9 43.967 24.079 -3.730 1.00 0.00 O ATOM 121 CG2 THR A 9 42.504 24.092 -1.946 1.00 0.00 C ATOM 0 H THR A 9 44.098 21.333 -3.330 1.00 0.00 H new ATOM 0 HA THR A 9 41.265 22.171 -3.711 1.00 0.00 H new ATOM 0 HB THR A 9 41.869 24.492 -3.981 1.00 0.00 H new ATOM 0 HG1 THR A 9 44.204 25.004 -3.509 1.00 0.00 H new ATOM 0 HG21 THR A 9 42.695 25.142 -1.726 1.00 0.00 H new ATOM 0 HG22 THR A 9 41.509 23.822 -1.592 1.00 0.00 H new ATOM 0 HG23 THR A 9 43.248 23.475 -1.442 1.00 0.00 H new ATOM 129 N PHE A 10 42.205 22.960 -6.161 1.00 0.00 N ATOM 130 CA PHE A 10 42.550 22.854 -7.607 1.00 0.00 C ATOM 131 C PHE A 10 44.066 23.075 -7.714 1.00 0.00 C ATOM 132 O PHE A 10 44.635 23.834 -6.951 1.00 0.00 O ATOM 133 CB PHE A 10 41.795 23.938 -8.394 1.00 0.00 C ATOM 134 CG PHE A 10 42.266 23.921 -9.858 1.00 0.00 C ATOM 135 CD1 PHE A 10 41.959 22.867 -10.701 1.00 0.00 C ATOM 136 CD2 PHE A 10 43.018 24.975 -10.346 1.00 0.00 C ATOM 137 CE1 PHE A 10 42.399 22.871 -12.009 1.00 0.00 C ATOM 138 CE2 PHE A 10 43.457 24.978 -11.651 1.00 0.00 C ATOM 139 CZ PHE A 10 43.149 23.927 -12.484 1.00 0.00 C ATOM 0 H PHE A 10 41.528 23.687 -5.930 1.00 0.00 H new ATOM 0 HA PHE A 10 42.271 21.883 -8.017 1.00 0.00 H new ATOM 0 HB2 PHE A 10 40.721 23.760 -8.343 1.00 0.00 H new ATOM 0 HB3 PHE A 10 41.977 24.918 -7.952 1.00 0.00 H new ATOM 0 HD1 PHE A 10 41.373 22.038 -10.334 1.00 0.00 H new ATOM 0 HD2 PHE A 10 43.263 25.803 -9.697 1.00 0.00 H new ATOM 0 HE1 PHE A 10 42.156 22.046 -12.662 1.00 0.00 H new ATOM 0 HE2 PHE A 10 44.044 25.806 -12.021 1.00 0.00 H new ATOM 0 HZ PHE A 10 43.494 23.929 -13.508 1.00 0.00 H new ATOM 149 N GLN A 11 44.668 22.407 -8.658 1.00 0.00 N ATOM 150 CA GLN A 11 46.139 22.547 -8.843 1.00 0.00 C ATOM 151 C GLN A 11 46.272 22.519 -10.373 1.00 0.00 C ATOM 152 O GLN A 11 45.886 21.542 -10.986 1.00 0.00 O ATOM 153 CB GLN A 11 46.818 21.330 -8.162 1.00 0.00 C ATOM 154 CG GLN A 11 48.220 21.690 -7.645 1.00 0.00 C ATOM 155 CD GLN A 11 48.101 22.698 -6.476 1.00 0.00 C ATOM 156 OE1 GLN A 11 48.913 23.590 -6.334 1.00 0.00 O ATOM 157 NE2 GLN A 11 47.116 22.603 -5.614 1.00 0.00 N ATOM 0 H GLN A 11 44.206 21.771 -9.308 1.00 0.00 H new ATOM 0 HA GLN A 11 46.599 23.437 -8.413 1.00 0.00 H new ATOM 0 HB2 GLN A 11 46.201 20.983 -7.334 1.00 0.00 H new ATOM 0 HB3 GLN A 11 46.890 20.507 -8.872 1.00 0.00 H new ATOM 0 HG2 GLN A 11 48.737 20.790 -7.311 1.00 0.00 H new ATOM 0 HG3 GLN A 11 48.816 22.120 -8.450 1.00 0.00 H new ATOM 0 HE21 GLN A 11 46.422 21.862 -5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 11 47.045 23.270 -4.846 1.00 0.00 H new ATOM 166 N THR A 12 46.804 23.564 -10.959 1.00 0.00 N ATOM 167 CA THR A 12 46.944 23.580 -12.449 1.00 0.00 C ATOM 168 C THR A 12 48.153 22.759 -12.926 1.00 0.00 C ATOM 169 O THR A 12 47.983 21.912 -13.783 1.00 0.00 O ATOM 170 CB THR A 12 47.045 25.072 -12.905 1.00 0.00 C ATOM 171 OG1 THR A 12 47.165 25.009 -14.320 1.00 0.00 O ATOM 172 CG2 THR A 12 48.323 25.796 -12.443 1.00 0.00 C ATOM 0 H THR A 12 47.143 24.397 -10.478 1.00 0.00 H new ATOM 0 HA THR A 12 46.072 23.108 -12.902 1.00 0.00 H new ATOM 0 HB THR A 12 46.187 25.606 -12.497 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.232 25.917 -14.683 1.00 0.00 H new ATOM 0 HG21 THR A 12 48.309 26.824 -12.804 1.00 0.00 H new ATOM 0 HG22 THR A 12 48.369 25.794 -11.354 1.00 0.00 H new ATOM 0 HG23 THR A 12 49.197 25.283 -12.844 1.00 0.00 H new ATOM 180 N CYS A 13 49.318 23.014 -12.375 1.00 0.00 N ATOM 181 CA CYS A 13 50.525 22.244 -12.799 1.00 0.00 C ATOM 182 C CYS A 13 51.082 21.231 -11.807 1.00 0.00 C ATOM 183 O CYS A 13 51.976 21.495 -11.025 1.00 0.00 O ATOM 184 CB CYS A 13 51.652 23.223 -13.197 1.00 0.00 C ATOM 185 SG CYS A 13 51.473 23.894 -14.866 1.00 0.00 S ATOM 0 H CYS A 13 49.481 23.718 -11.655 1.00 0.00 H new ATOM 0 HA CYS A 13 50.170 21.645 -13.637 1.00 0.00 H new ATOM 0 HB2 CYS A 13 51.675 24.047 -12.484 1.00 0.00 H new ATOM 0 HB3 CYS A 13 52.611 22.710 -13.122 1.00 0.00 H new ATOM 190 N ALA A 14 50.490 20.072 -11.901 1.00 0.00 N ATOM 191 CA ALA A 14 50.874 18.927 -11.036 1.00 0.00 C ATOM 192 C ALA A 14 50.361 17.662 -11.701 1.00 0.00 C ATOM 193 O ALA A 14 49.199 17.597 -12.042 1.00 0.00 O ATOM 194 CB ALA A 14 50.240 19.107 -9.653 1.00 0.00 C ATOM 0 H ALA A 14 49.737 19.869 -12.559 1.00 0.00 H new ATOM 0 HA ALA A 14 51.955 18.868 -10.910 1.00 0.00 H new ATOM 0 HB1 ALA A 14 50.518 18.269 -9.013 1.00 0.00 H new ATOM 0 HB2 ALA A 14 50.595 20.037 -9.208 1.00 0.00 H new ATOM 0 HB3 ALA A 14 49.155 19.143 -9.752 1.00 0.00 H new ATOM 200 N SER A 15 51.235 16.702 -11.864 1.00 0.00 N ATOM 201 CA SER A 15 50.844 15.415 -12.507 1.00 0.00 C ATOM 202 C SER A 15 49.985 14.610 -11.513 1.00 0.00 C ATOM 203 O SER A 15 49.092 15.150 -10.888 1.00 0.00 O ATOM 204 CB SER A 15 52.131 14.659 -12.877 1.00 0.00 C ATOM 205 OG SER A 15 51.707 13.608 -13.737 1.00 0.00 O ATOM 0 H SER A 15 52.212 16.757 -11.576 1.00 0.00 H new ATOM 0 HA SER A 15 50.258 15.578 -13.411 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.844 15.315 -13.377 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.627 14.267 -11.989 1.00 0.00 H new ATOM 0 HG SER A 15 52.172 12.780 -13.496 1.00 0.00 H new ATOM 211 N SER A 16 50.278 13.341 -11.400 1.00 0.00 N ATOM 212 CA SER A 16 49.534 12.446 -10.476 1.00 0.00 C ATOM 213 C SER A 16 50.541 11.942 -9.432 1.00 0.00 C ATOM 214 O SER A 16 50.354 10.878 -8.873 1.00 0.00 O ATOM 215 CB SER A 16 48.944 11.287 -11.297 1.00 0.00 C ATOM 216 OG SER A 16 48.108 11.931 -12.247 1.00 0.00 O ATOM 0 H SER A 16 51.021 12.880 -11.925 1.00 0.00 H new ATOM 0 HA SER A 16 48.713 12.955 -9.971 1.00 0.00 H new ATOM 0 HB2 SER A 16 49.726 10.704 -11.784 1.00 0.00 H new ATOM 0 HB3 SER A 16 48.378 10.600 -10.668 1.00 0.00 H new ATOM 0 HG SER A 16 47.687 11.258 -12.821 1.00 0.00 H new ATOM 222 N CYS A 17 51.583 12.719 -9.206 1.00 0.00 N ATOM 223 CA CYS A 17 52.620 12.304 -8.199 1.00 0.00 C ATOM 224 C CYS A 17 52.502 13.164 -6.914 1.00 0.00 C ATOM 225 O CYS A 17 53.253 14.105 -6.746 1.00 0.00 O ATOM 226 CB CYS A 17 54.039 12.473 -8.820 1.00 0.00 C ATOM 227 SG CYS A 17 54.812 14.094 -9.078 1.00 0.00 S ATOM 0 H CYS A 17 51.758 13.611 -9.669 1.00 0.00 H new ATOM 0 HA CYS A 17 52.459 11.259 -7.933 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.722 11.899 -8.194 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.012 11.983 -9.794 1.00 0.00 H new ATOM 232 N PRO A 18 51.574 12.834 -6.037 1.00 0.00 N ATOM 233 CA PRO A 18 51.255 13.690 -4.876 1.00 0.00 C ATOM 234 C PRO A 18 52.461 14.040 -3.998 1.00 0.00 C ATOM 235 O PRO A 18 53.282 13.190 -3.710 1.00 0.00 O ATOM 236 CB PRO A 18 50.216 12.893 -4.072 1.00 0.00 C ATOM 237 CG PRO A 18 50.284 11.508 -4.601 1.00 0.00 C ATOM 238 CD PRO A 18 50.720 11.628 -6.030 1.00 0.00 C ATOM 0 HA PRO A 18 50.891 14.658 -5.221 1.00 0.00 H new ATOM 0 HB2 PRO A 18 50.442 12.918 -3.006 1.00 0.00 H new ATOM 0 HB3 PRO A 18 49.218 13.312 -4.196 1.00 0.00 H new ATOM 0 HG2 PRO A 18 50.989 10.906 -4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 18 49.314 11.016 -4.530 1.00 0.00 H new ATOM 0 HD2 PRO A 18 51.271 10.746 -6.356 1.00 0.00 H new ATOM 0 HD3 PRO A 18 49.868 11.737 -6.701 1.00 0.00 H new ATOM 246 N LYS A 19 52.500 15.291 -3.618 1.00 0.00 N ATOM 247 CA LYS A 19 53.601 15.811 -2.759 1.00 0.00 C ATOM 248 C LYS A 19 53.054 15.652 -1.348 1.00 0.00 C ATOM 249 O LYS A 19 52.074 16.277 -0.987 1.00 0.00 O ATOM 250 CB LYS A 19 53.852 17.290 -3.068 1.00 0.00 C ATOM 251 CG LYS A 19 55.073 17.781 -2.255 1.00 0.00 C ATOM 252 CD LYS A 19 55.385 19.286 -2.466 1.00 0.00 C ATOM 253 CE LYS A 19 54.333 20.274 -1.875 1.00 0.00 C ATOM 254 NZ LYS A 19 52.961 20.095 -2.426 1.00 0.00 N ATOM 0 H LYS A 19 51.799 15.987 -3.874 1.00 0.00 H new ATOM 0 HA LYS A 19 54.548 15.292 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 19 54.032 17.425 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 19 52.971 17.881 -2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 19 54.892 17.600 -1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 19 55.947 17.193 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 19 56.355 19.505 -2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 19 55.476 19.475 -3.536 1.00 0.00 H new ATOM 0 HE2 LYS A 19 54.299 20.148 -0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 19 54.661 21.296 -2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 52.569 21.022 -2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 53.002 19.485 -3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 52.353 19.653 -1.707 1.00 0.00 H new ATOM 268 N THR A 20 53.712 14.813 -0.600 1.00 0.00 N ATOM 269 CA THR A 20 53.277 14.560 0.798 1.00 0.00 C ATOM 270 C THR A 20 54.419 14.843 1.773 1.00 0.00 C ATOM 271 O THR A 20 55.480 15.300 1.391 1.00 0.00 O ATOM 272 CB THR A 20 52.829 13.086 0.906 1.00 0.00 C ATOM 273 OG1 THR A 20 54.020 12.335 0.728 1.00 0.00 O ATOM 274 CG2 THR A 20 52.012 12.625 -0.333 1.00 0.00 C ATOM 0 H THR A 20 54.535 14.290 -0.899 1.00 0.00 H new ATOM 0 HA THR A 20 52.449 15.221 1.055 1.00 0.00 H new ATOM 0 HB THR A 20 52.266 12.966 1.832 1.00 0.00 H new ATOM 0 HG1 THR A 20 53.924 11.750 -0.053 1.00 0.00 H new ATOM 0 HG21 THR A 20 51.720 11.582 -0.209 1.00 0.00 H new ATOM 0 HG22 THR A 20 51.119 13.242 -0.430 1.00 0.00 H new ATOM 0 HG23 THR A 20 52.623 12.727 -1.230 1.00 0.00 H new ATOM 282 N CYS A 21 54.141 14.554 3.018 1.00 0.00 N ATOM 283 CA CYS A 21 55.137 14.756 4.112 1.00 0.00 C ATOM 284 C CYS A 21 56.408 13.948 3.815 1.00 0.00 C ATOM 285 O CYS A 21 57.471 14.216 4.339 1.00 0.00 O ATOM 286 CB CYS A 21 54.417 14.339 5.400 1.00 0.00 C ATOM 287 SG CYS A 21 53.098 15.506 5.824 1.00 0.00 S ATOM 0 H CYS A 21 53.245 14.178 3.329 1.00 0.00 H new ATOM 0 HA CYS A 21 55.478 15.787 4.207 1.00 0.00 H new ATOM 0 HB2 CYS A 21 53.997 13.341 5.277 1.00 0.00 H new ATOM 0 HB3 CYS A 21 55.134 14.284 6.219 1.00 0.00 H new ATOM 292 N GLU A 22 56.217 12.975 2.962 1.00 0.00 N ATOM 293 CA GLU A 22 57.307 12.064 2.511 1.00 0.00 C ATOM 294 C GLU A 22 58.250 12.893 1.612 1.00 0.00 C ATOM 295 O GLU A 22 59.452 12.874 1.789 1.00 0.00 O ATOM 296 CB GLU A 22 56.664 10.907 1.728 1.00 0.00 C ATOM 297 CG GLU A 22 57.715 9.901 1.228 1.00 0.00 C ATOM 298 CD GLU A 22 56.988 8.799 0.432 1.00 0.00 C ATOM 299 OE1 GLU A 22 56.683 9.071 -0.718 1.00 0.00 O ATOM 300 OE2 GLU A 22 56.777 7.749 1.016 1.00 0.00 O ATOM 0 H GLU A 22 55.310 12.769 2.544 1.00 0.00 H new ATOM 0 HA GLU A 22 57.875 11.647 3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 22 55.944 10.394 2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 22 56.110 11.307 0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 22 58.451 10.402 0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 22 58.257 9.468 2.069 1.00 0.00 H new ATOM 307 N THR A 23 57.658 13.598 0.673 1.00 0.00 N ATOM 308 CA THR A 23 58.447 14.450 -0.274 1.00 0.00 C ATOM 309 C THR A 23 58.813 15.831 0.293 1.00 0.00 C ATOM 310 O THR A 23 59.925 15.988 0.755 1.00 0.00 O ATOM 311 CB THR A 23 57.644 14.632 -1.601 1.00 0.00 C ATOM 312 OG1 THR A 23 56.368 15.134 -1.238 1.00 0.00 O ATOM 313 CG2 THR A 23 57.339 13.306 -2.299 1.00 0.00 C ATOM 0 H THR A 23 56.649 13.618 0.522 1.00 0.00 H new ATOM 0 HA THR A 23 59.387 13.927 -0.451 1.00 0.00 H new ATOM 0 HB THR A 23 58.236 15.269 -2.258 1.00 0.00 H new ATOM 0 HG1 THR A 23 56.274 15.114 -0.263 1.00 0.00 H new ATOM 0 HG21 THR A 23 56.779 13.497 -3.215 1.00 0.00 H new ATOM 0 HG22 THR A 23 58.273 12.800 -2.543 1.00 0.00 H new ATOM 0 HG23 THR A 23 56.747 12.674 -1.637 1.00 0.00 H new ATOM 321 N ARG A 24 57.895 16.779 0.247 1.00 0.00 N ATOM 322 CA ARG A 24 58.121 18.182 0.760 1.00 0.00 C ATOM 323 C ARG A 24 59.137 18.975 -0.068 1.00 0.00 C ATOM 324 O ARG A 24 59.260 20.178 0.056 1.00 0.00 O ATOM 325 CB ARG A 24 58.634 18.161 2.205 1.00 0.00 C ATOM 326 CG ARG A 24 57.564 17.545 3.109 1.00 0.00 C ATOM 327 CD ARG A 24 58.039 17.507 4.563 1.00 0.00 C ATOM 328 NE ARG A 24 59.232 16.608 4.645 1.00 0.00 N ATOM 329 CZ ARG A 24 60.264 16.866 5.409 1.00 0.00 C ATOM 330 NH1 ARG A 24 60.309 17.939 6.154 1.00 0.00 N ATOM 331 NH2 ARG A 24 61.249 16.011 5.403 1.00 0.00 N ATOM 0 H ARG A 24 56.963 16.632 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 24 57.148 18.669 0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 24 59.557 17.584 2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 24 58.868 19.173 2.535 1.00 0.00 H new ATOM 0 HG2 ARG A 24 56.643 18.124 3.037 1.00 0.00 H new ATOM 0 HG3 ARG A 24 57.333 16.535 2.771 1.00 0.00 H new ATOM 0 HD2 ARG A 24 58.295 18.510 4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 24 57.243 17.142 5.213 1.00 0.00 H new ATOM 0 HE ARG A 24 59.242 15.758 4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 24 59.529 18.597 6.148 1.00 0.00 H new ATOM 0 HH12 ARG A 24 61.124 18.119 6.741 1.00 0.00 H new ATOM 0 HH21 ARG A 24 61.197 15.178 4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 24 62.071 16.176 5.984 1.00 0.00 H new ATOM 345 N ASN A 25 59.824 18.240 -0.889 1.00 0.00 N ATOM 346 CA ASN A 25 60.871 18.772 -1.789 1.00 0.00 C ATOM 347 C ASN A 25 60.354 19.881 -2.724 1.00 0.00 C ATOM 348 O ASN A 25 60.999 20.902 -2.874 1.00 0.00 O ATOM 349 CB ASN A 25 61.411 17.566 -2.577 1.00 0.00 C ATOM 350 CG ASN A 25 61.915 16.459 -1.631 1.00 0.00 C ATOM 351 OD1 ASN A 25 61.881 15.290 -1.963 1.00 0.00 O ATOM 352 ND2 ASN A 25 62.385 16.767 -0.453 1.00 0.00 N ATOM 0 H ASN A 25 59.690 17.232 -0.974 1.00 0.00 H new ATOM 0 HA ASN A 25 61.658 19.253 -1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 25 60.626 17.168 -3.220 1.00 0.00 H new ATOM 0 HB3 ASN A 25 62.223 17.889 -3.228 1.00 0.00 H new ATOM 0 HD21 ASN A 25 62.716 16.032 0.172 1.00 0.00 H new ATOM 0 HD22 ASN A 25 62.421 17.743 -0.157 1.00 0.00 H new ATOM 359 N LYS A 26 59.211 19.650 -3.321 1.00 0.00 N ATOM 360 CA LYS A 26 58.597 20.633 -4.249 1.00 0.00 C ATOM 361 C LYS A 26 57.635 21.531 -3.460 1.00 0.00 C ATOM 362 O LYS A 26 57.556 21.459 -2.249 1.00 0.00 O ATOM 363 CB LYS A 26 57.854 19.847 -5.384 1.00 0.00 C ATOM 364 CG LYS A 26 58.829 19.105 -6.350 1.00 0.00 C ATOM 365 CD LYS A 26 59.709 18.045 -5.650 1.00 0.00 C ATOM 366 CE LYS A 26 60.602 17.324 -6.679 1.00 0.00 C ATOM 367 NZ LYS A 26 59.775 16.616 -7.696 1.00 0.00 N ATOM 0 H LYS A 26 58.668 18.796 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 26 59.354 21.270 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 26 57.177 19.122 -4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 26 57.241 20.542 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 26 58.249 18.621 -7.136 1.00 0.00 H new ATOM 0 HG3 LYS A 26 59.474 19.838 -6.834 1.00 0.00 H new ATOM 0 HD2 LYS A 26 60.330 18.522 -4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 26 59.077 17.320 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 26 61.252 18.047 -7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 26 61.248 16.610 -6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 60.048 15.613 -7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 58.770 16.693 -7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 59.929 17.047 -8.630 1.00 0.00 H new ATOM 381 N LEU A 27 56.941 22.357 -4.195 1.00 0.00 N ATOM 382 CA LEU A 27 55.951 23.310 -3.589 1.00 0.00 C ATOM 383 C LEU A 27 54.617 23.257 -4.332 1.00 0.00 C ATOM 384 O LEU A 27 53.913 24.236 -4.487 1.00 0.00 O ATOM 385 CB LEU A 27 56.459 24.784 -3.643 1.00 0.00 C ATOM 386 CG LEU A 27 57.783 25.055 -2.878 1.00 0.00 C ATOM 387 CD1 LEU A 27 59.042 24.487 -3.584 1.00 0.00 C ATOM 388 CD2 LEU A 27 57.956 26.575 -2.678 1.00 0.00 C ATOM 0 H LEU A 27 57.016 22.417 -5.210 1.00 0.00 H new ATOM 0 HA LEU A 27 55.826 23.001 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 27 56.597 25.066 -4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.684 25.434 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 27 57.700 24.536 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 27 59.927 24.716 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 27 58.944 23.406 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 27 59.141 24.939 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 27 58.885 26.768 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 27 57.989 27.068 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 27 57.116 26.964 -2.102 1.00 0.00 H new ATOM 400 N VAL A 28 54.328 22.065 -4.757 1.00 0.00 N ATOM 401 CA VAL A 28 53.065 21.787 -5.520 1.00 0.00 C ATOM 402 C VAL A 28 52.811 20.288 -5.404 1.00 0.00 C ATOM 403 O VAL A 28 53.723 19.531 -5.140 1.00 0.00 O ATOM 404 CB VAL A 28 53.216 22.091 -7.019 1.00 0.00 C ATOM 405 CG1 VAL A 28 51.842 22.125 -7.712 1.00 0.00 C ATOM 406 CG2 VAL A 28 54.014 23.380 -7.325 1.00 0.00 C ATOM 0 H VAL A 28 54.920 21.248 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 28 52.266 22.408 -5.115 1.00 0.00 H new ATOM 0 HB VAL A 28 53.808 21.271 -7.427 1.00 0.00 H new ATOM 0 HG11 VAL A 28 51.974 22.342 -8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 28 51.353 21.158 -7.598 1.00 0.00 H new ATOM 0 HG13 VAL A 28 51.224 22.900 -7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 28 54.075 23.523 -8.404 1.00 0.00 H new ATOM 0 HG22 VAL A 28 53.511 24.235 -6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 28 55.019 23.292 -6.913 1.00 0.00 H new ATOM 416 N LEU A 29 51.576 19.914 -5.619 1.00 0.00 N ATOM 417 CA LEU A 29 51.179 18.481 -5.543 1.00 0.00 C ATOM 418 C LEU A 29 52.154 17.594 -6.309 1.00 0.00 C ATOM 419 O LEU A 29 52.542 16.536 -5.862 1.00 0.00 O ATOM 420 CB LEU A 29 49.717 18.429 -6.083 1.00 0.00 C ATOM 421 CG LEU A 29 49.020 17.020 -6.147 1.00 0.00 C ATOM 422 CD1 LEU A 29 49.641 16.034 -7.169 1.00 0.00 C ATOM 423 CD2 LEU A 29 48.999 16.377 -4.741 1.00 0.00 C ATOM 0 H LEU A 29 50.815 20.554 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 29 51.214 18.089 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 29 49.104 19.080 -5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 29 49.713 18.853 -7.087 1.00 0.00 H new ATOM 0 HG LEU A 29 48.007 17.211 -6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 29 49.095 15.091 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 29 49.579 16.461 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 29 50.686 15.856 -6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 29 48.515 15.402 -4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 29 50.021 16.256 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 29 48.447 17.020 -4.055 1.00 0.00 H new ATOM 435 N CYS A 30 52.519 18.079 -7.450 1.00 0.00 N ATOM 436 CA CYS A 30 53.475 17.352 -8.336 1.00 0.00 C ATOM 437 C CYS A 30 54.133 18.383 -9.262 1.00 0.00 C ATOM 438 O CYS A 30 53.778 19.546 -9.219 1.00 0.00 O ATOM 439 CB CYS A 30 52.694 16.278 -9.116 1.00 0.00 C ATOM 440 SG CYS A 30 53.655 15.257 -10.256 1.00 0.00 S ATOM 0 H CYS A 30 52.191 18.970 -7.823 1.00 0.00 H new ATOM 0 HA CYS A 30 54.260 16.848 -7.772 1.00 0.00 H new ATOM 0 HB2 CYS A 30 52.206 15.620 -8.397 1.00 0.00 H new ATOM 0 HB3 CYS A 30 51.905 16.773 -9.682 1.00 0.00 H new ATOM 445 N ASP A 31 55.065 17.950 -10.077 1.00 0.00 N ATOM 446 CA ASP A 31 55.758 18.910 -10.998 1.00 0.00 C ATOM 447 C ASP A 31 56.110 18.365 -12.388 1.00 0.00 C ATOM 448 O ASP A 31 56.130 19.113 -13.346 1.00 0.00 O ATOM 449 CB ASP A 31 57.034 19.378 -10.269 1.00 0.00 C ATOM 450 CG ASP A 31 57.960 18.168 -10.003 1.00 0.00 C ATOM 451 OD1 ASP A 31 57.559 17.327 -9.214 1.00 0.00 O ATOM 452 OD2 ASP A 31 59.021 18.151 -10.605 1.00 0.00 O ATOM 0 H ASP A 31 55.375 16.981 -10.145 1.00 0.00 H new ATOM 0 HA ASP A 31 55.061 19.721 -11.210 1.00 0.00 H new ATOM 0 HB2 ASP A 31 57.556 20.121 -10.872 1.00 0.00 H new ATOM 0 HB3 ASP A 31 56.770 19.859 -9.327 1.00 0.00 H new ATOM 457 N LYS A 32 56.377 17.087 -12.452 1.00 0.00 N ATOM 458 CA LYS A 32 56.741 16.428 -13.755 1.00 0.00 C ATOM 459 C LYS A 32 55.764 16.735 -14.915 1.00 0.00 C ATOM 460 O LYS A 32 56.146 16.673 -16.067 1.00 0.00 O ATOM 461 CB LYS A 32 56.817 14.895 -13.534 1.00 0.00 C ATOM 462 CG LYS A 32 55.457 14.356 -13.040 1.00 0.00 C ATOM 463 CD LYS A 32 55.490 12.828 -12.797 1.00 0.00 C ATOM 464 CE LYS A 32 55.756 12.063 -14.110 1.00 0.00 C ATOM 465 NZ LYS A 32 54.692 12.378 -15.105 1.00 0.00 N ATOM 0 H LYS A 32 56.360 16.458 -11.649 1.00 0.00 H new ATOM 0 HA LYS A 32 57.704 16.840 -14.057 1.00 0.00 H new ATOM 0 HB2 LYS A 32 57.096 14.400 -14.464 1.00 0.00 H new ATOM 0 HB3 LYS A 32 57.594 14.664 -12.805 1.00 0.00 H new ATOM 0 HG2 LYS A 32 55.180 14.864 -12.116 1.00 0.00 H new ATOM 0 HG3 LYS A 32 54.687 14.589 -13.775 1.00 0.00 H new ATOM 0 HD2 LYS A 32 56.266 12.589 -12.070 1.00 0.00 H new ATOM 0 HD3 LYS A 32 54.541 12.504 -12.369 1.00 0.00 H new ATOM 0 HE2 LYS A 32 56.732 12.337 -14.509 1.00 0.00 H new ATOM 0 HE3 LYS A 32 55.780 10.990 -13.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 54.702 11.665 -15.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 53.764 12.371 -14.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 54.866 13.319 -15.513 1.00 0.00 H new ATOM 479 N LYS A 33 54.541 17.054 -14.571 1.00 0.00 N ATOM 480 CA LYS A 33 53.498 17.378 -15.597 1.00 0.00 C ATOM 481 C LYS A 33 52.421 18.284 -15.004 1.00 0.00 C ATOM 482 O LYS A 33 52.236 18.325 -13.804 1.00 0.00 O ATOM 483 CB LYS A 33 52.882 16.047 -16.110 1.00 0.00 C ATOM 484 CG LYS A 33 51.735 16.341 -17.085 1.00 0.00 C ATOM 485 CD LYS A 33 51.202 15.020 -17.679 1.00 0.00 C ATOM 486 CE LYS A 33 50.057 15.315 -18.666 1.00 0.00 C ATOM 487 NZ LYS A 33 50.543 16.169 -19.786 1.00 0.00 N ATOM 0 H LYS A 33 54.215 17.105 -13.606 1.00 0.00 H new ATOM 0 HA LYS A 33 53.953 17.915 -16.429 1.00 0.00 H new ATOM 0 HB2 LYS A 33 53.647 15.450 -16.606 1.00 0.00 H new ATOM 0 HB3 LYS A 33 52.514 15.459 -15.269 1.00 0.00 H new ATOM 0 HG2 LYS A 33 50.933 16.868 -16.569 1.00 0.00 H new ATOM 0 HG3 LYS A 33 52.083 16.995 -17.884 1.00 0.00 H new ATOM 0 HD2 LYS A 33 52.006 14.490 -18.189 1.00 0.00 H new ATOM 0 HD3 LYS A 33 50.847 14.369 -16.880 1.00 0.00 H new ATOM 0 HE2 LYS A 33 49.658 14.380 -19.060 1.00 0.00 H new ATOM 0 HE3 LYS A 33 49.240 15.816 -18.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 49.884 16.098 -20.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 50.598 17.158 -19.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 51.486 15.848 -20.083 1.00 0.00 H new ATOM 501 N CYS A 34 51.748 18.987 -15.885 1.00 0.00 N ATOM 502 CA CYS A 34 50.667 19.915 -15.453 1.00 0.00 C ATOM 503 C CYS A 34 49.234 19.404 -15.654 1.00 0.00 C ATOM 504 O CYS A 34 48.549 19.759 -16.596 1.00 0.00 O ATOM 505 CB CYS A 34 50.788 21.253 -16.199 1.00 0.00 C ATOM 506 SG CYS A 34 52.210 22.350 -15.949 1.00 0.00 S ATOM 0 H CYS A 34 51.907 18.953 -16.892 1.00 0.00 H new ATOM 0 HA CYS A 34 50.820 20.016 -14.379 1.00 0.00 H new ATOM 0 HB2 CYS A 34 50.745 21.027 -17.264 1.00 0.00 H new ATOM 0 HB3 CYS A 34 49.896 21.831 -15.960 1.00 0.00 H new ATOM 511 N ASN A 35 48.831 18.569 -14.739 1.00 0.00 N ATOM 512 CA ASN A 35 47.442 18.000 -14.804 1.00 0.00 C ATOM 513 C ASN A 35 46.598 18.995 -13.995 1.00 0.00 C ATOM 514 O ASN A 35 46.867 19.218 -12.828 1.00 0.00 O ATOM 515 CB ASN A 35 47.290 16.611 -14.110 1.00 0.00 C ATOM 516 CG ASN A 35 48.216 15.533 -14.680 1.00 0.00 C ATOM 517 OD1 ASN A 35 48.877 15.705 -15.684 1.00 0.00 O ATOM 518 ND2 ASN A 35 48.281 14.393 -14.043 1.00 0.00 N ATOM 0 H ASN A 35 49.394 18.253 -13.950 1.00 0.00 H new ATOM 0 HA ASN A 35 47.157 17.860 -15.847 1.00 0.00 H new ATOM 0 HB2 ASN A 35 47.491 16.723 -13.045 1.00 0.00 H new ATOM 0 HB3 ASN A 35 46.257 16.278 -14.206 1.00 0.00 H new ATOM 0 HD21 ASN A 35 48.887 13.649 -14.389 1.00 0.00 H new ATOM 0 HD22 ASN A 35 47.726 14.248 -13.200 1.00 0.00 H new ATOM 525 N GLN A 36 45.612 19.569 -14.632 1.00 0.00 N ATOM 526 CA GLN A 36 44.732 20.552 -13.931 1.00 0.00 C ATOM 527 C GLN A 36 43.711 19.759 -13.102 1.00 0.00 C ATOM 528 O GLN A 36 42.626 19.450 -13.556 1.00 0.00 O ATOM 529 CB GLN A 36 44.054 21.432 -15.003 1.00 0.00 C ATOM 530 CG GLN A 36 45.141 22.206 -15.777 1.00 0.00 C ATOM 531 CD GLN A 36 44.472 23.126 -16.801 1.00 0.00 C ATOM 532 OE1 GLN A 36 44.158 22.728 -17.905 1.00 0.00 O ATOM 533 NE2 GLN A 36 44.238 24.366 -16.471 1.00 0.00 N ATOM 0 H GLN A 36 45.377 19.400 -15.610 1.00 0.00 H new ATOM 0 HA GLN A 36 45.288 21.204 -13.258 1.00 0.00 H new ATOM 0 HB2 GLN A 36 43.474 20.813 -15.687 1.00 0.00 H new ATOM 0 HB3 GLN A 36 43.358 22.128 -14.534 1.00 0.00 H new ATOM 0 HG2 GLN A 36 45.748 22.791 -15.087 1.00 0.00 H new ATOM 0 HG3 GLN A 36 45.812 21.509 -16.280 1.00 0.00 H new ATOM 0 HE21 GLN A 36 44.500 24.705 -15.545 1.00 0.00 H new ATOM 0 HE22 GLN A 36 43.793 24.996 -17.139 1.00 0.00 H new ATOM 542 N ARG A 37 44.118 19.458 -11.892 1.00 0.00 N ATOM 543 CA ARG A 37 43.254 18.681 -10.946 1.00 0.00 C ATOM 544 C ARG A 37 43.613 18.923 -9.467 1.00 0.00 C ATOM 545 O ARG A 37 44.428 19.758 -9.134 1.00 0.00 O ATOM 546 CB ARG A 37 43.408 17.174 -11.287 1.00 0.00 C ATOM 547 CG ARG A 37 44.912 16.778 -11.170 1.00 0.00 C ATOM 548 CD ARG A 37 45.129 15.289 -11.485 1.00 0.00 C ATOM 549 NE ARG A 37 44.387 14.474 -10.474 1.00 0.00 N ATOM 550 CZ ARG A 37 44.737 13.243 -10.186 1.00 0.00 C ATOM 551 NH1 ARG A 37 45.757 12.678 -10.780 1.00 0.00 N ATOM 552 NH2 ARG A 37 44.037 12.606 -9.290 1.00 0.00 N ATOM 0 H ARG A 37 45.028 19.722 -11.514 1.00 0.00 H new ATOM 0 HA ARG A 37 42.224 19.015 -11.069 1.00 0.00 H new ATOM 0 HB2 ARG A 37 42.806 16.571 -10.607 1.00 0.00 H new ATOM 0 HB3 ARG A 37 43.044 16.977 -12.295 1.00 0.00 H new ATOM 0 HG2 ARG A 37 45.504 17.386 -11.855 1.00 0.00 H new ATOM 0 HG3 ARG A 37 45.269 16.994 -10.163 1.00 0.00 H new ATOM 0 HD2 ARG A 37 44.774 15.059 -12.490 1.00 0.00 H new ATOM 0 HD3 ARG A 37 46.192 15.048 -11.459 1.00 0.00 H new ATOM 0 HE ARG A 37 43.587 14.887 -9.995 1.00 0.00 H new ATOM 0 HH11 ARG A 37 46.292 13.196 -11.477 1.00 0.00 H new ATOM 0 HH12 ARG A 37 46.017 11.720 -10.546 1.00 0.00 H new ATOM 0 HH21 ARG A 37 43.247 13.066 -8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 37 44.280 11.647 -9.040 1.00 0.00 H new ATOM 566 N CYS A 38 42.957 18.142 -8.645 1.00 0.00 N ATOM 567 CA CYS A 38 43.114 18.157 -7.151 1.00 0.00 C ATOM 568 C CYS A 38 44.591 18.112 -6.727 1.00 0.00 C ATOM 569 O CYS A 38 45.411 17.548 -7.428 1.00 0.00 O ATOM 570 CB CYS A 38 42.353 16.942 -6.635 1.00 0.00 C ATOM 571 SG CYS A 38 42.366 16.411 -4.908 1.00 0.00 S ATOM 0 H CYS A 38 42.278 17.453 -8.968 1.00 0.00 H new ATOM 0 HA CYS A 38 42.719 19.082 -6.731 1.00 0.00 H new ATOM 0 HB2 CYS A 38 41.307 17.101 -6.898 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.703 16.091 -7.219 1.00 0.00 H new ATOM 576 N GLY A 39 44.887 18.702 -5.595 1.00 0.00 N ATOM 577 CA GLY A 39 46.299 18.704 -5.109 1.00 0.00 C ATOM 578 C GLY A 39 46.531 19.635 -3.927 1.00 0.00 C ATOM 579 O GLY A 39 45.835 20.621 -3.786 1.00 0.00 O ATOM 0 H GLY A 39 44.217 19.178 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 39 46.578 17.690 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 39 46.957 18.997 -5.927 1.00 0.00 H new ATOM 583 N CYS A 40 47.506 19.293 -3.112 1.00 0.00 N ATOM 584 CA CYS A 40 47.834 20.124 -1.921 1.00 0.00 C ATOM 585 C CYS A 40 48.071 21.558 -2.355 1.00 0.00 C ATOM 586 O CYS A 40 48.535 21.820 -3.448 1.00 0.00 O ATOM 587 CB CYS A 40 49.102 19.612 -1.217 1.00 0.00 C ATOM 588 SG CYS A 40 49.079 17.967 -0.467 1.00 0.00 S ATOM 0 H CYS A 40 48.089 18.465 -3.229 1.00 0.00 H new ATOM 0 HA CYS A 40 46.995 20.064 -1.228 1.00 0.00 H new ATOM 0 HB2 CYS A 40 49.914 19.632 -1.944 1.00 0.00 H new ATOM 0 HB3 CYS A 40 49.357 20.327 -0.435 1.00 0.00 H new ATOM 593 N ILE A 41 47.744 22.440 -1.457 1.00 0.00 N ATOM 594 CA ILE A 41 47.913 23.891 -1.743 1.00 0.00 C ATOM 595 C ILE A 41 49.415 24.186 -1.794 1.00 0.00 C ATOM 596 O ILE A 41 50.228 23.428 -1.298 1.00 0.00 O ATOM 597 CB ILE A 41 47.230 24.706 -0.620 1.00 0.00 C ATOM 598 CG1 ILE A 41 45.763 24.188 -0.444 1.00 0.00 C ATOM 599 CG2 ILE A 41 47.167 26.191 -1.047 1.00 0.00 C ATOM 600 CD1 ILE A 41 45.028 24.910 0.704 1.00 0.00 C ATOM 0 H ILE A 41 47.366 22.220 -0.535 1.00 0.00 H new ATOM 0 HA ILE A 41 47.456 24.165 -2.694 1.00 0.00 H new ATOM 0 HB ILE A 41 47.790 24.599 0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 41 45.213 24.333 -1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 41 45.778 23.116 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 41 46.687 26.775 -0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 41 48.177 26.565 -1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 41 46.592 26.280 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 41 44.014 24.519 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 41 45.562 24.743 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 41 44.988 25.979 0.495 1.00 0.00 H new ATOM 612 N SER A 42 49.718 25.296 -2.404 1.00 0.00 N ATOM 613 CA SER A 42 51.138 25.735 -2.542 1.00 0.00 C ATOM 614 C SER A 42 51.617 26.154 -1.149 1.00 0.00 C ATOM 615 O SER A 42 51.376 27.258 -0.699 1.00 0.00 O ATOM 616 CB SER A 42 51.200 26.913 -3.531 1.00 0.00 C ATOM 617 OG SER A 42 50.695 26.367 -4.742 1.00 0.00 O ATOM 0 H SER A 42 49.034 25.928 -2.820 1.00 0.00 H new ATOM 0 HA SER A 42 51.777 24.940 -2.926 1.00 0.00 H new ATOM 0 HB2 SER A 42 50.597 27.754 -3.189 1.00 0.00 H new ATOM 0 HB3 SER A 42 52.219 27.280 -3.652 1.00 0.00 H new ATOM 0 HG SER A 42 50.696 27.057 -5.438 1.00 0.00 H new ATOM 623 N GLY A 43 52.285 25.222 -0.523 1.00 0.00 N ATOM 624 CA GLY A 43 52.834 25.430 0.850 1.00 0.00 C ATOM 625 C GLY A 43 52.344 24.334 1.810 1.00 0.00 C ATOM 626 O GLY A 43 52.499 24.477 3.007 1.00 0.00 O ATOM 0 H GLY A 43 52.478 24.301 -0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 43 53.923 25.427 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.530 26.408 1.223 1.00 0.00 H new ATOM 630 N THR A 44 51.768 23.283 1.269 1.00 0.00 N ATOM 631 CA THR A 44 51.259 22.153 2.112 1.00 0.00 C ATOM 632 C THR A 44 51.588 20.813 1.452 1.00 0.00 C ATOM 633 O THR A 44 51.801 20.729 0.258 1.00 0.00 O ATOM 634 CB THR A 44 49.712 22.252 2.305 1.00 0.00 C ATOM 635 OG1 THR A 44 49.111 22.208 1.015 1.00 0.00 O ATOM 636 CG2 THR A 44 49.304 23.612 2.867 1.00 0.00 C ATOM 0 H THR A 44 51.628 23.160 0.266 1.00 0.00 H new ATOM 0 HA THR A 44 51.746 22.219 3.085 1.00 0.00 H new ATOM 0 HB THR A 44 49.408 21.447 2.974 1.00 0.00 H new ATOM 0 HG1 THR A 44 49.655 22.723 0.383 1.00 0.00 H new ATOM 0 HG21 THR A 44 48.221 23.646 2.988 1.00 0.00 H new ATOM 0 HG22 THR A 44 49.782 23.764 3.834 1.00 0.00 H new ATOM 0 HG23 THR A 44 49.617 24.398 2.180 1.00 0.00 H new ATOM 644 N VAL A 45 51.612 19.809 2.287 1.00 0.00 N ATOM 645 CA VAL A 45 51.912 18.409 1.862 1.00 0.00 C ATOM 646 C VAL A 45 50.979 17.406 2.526 1.00 0.00 C ATOM 647 O VAL A 45 50.798 17.430 3.726 1.00 0.00 O ATOM 648 CB VAL A 45 53.372 18.034 2.222 1.00 0.00 C ATOM 649 CG1 VAL A 45 54.314 18.837 1.351 1.00 0.00 C ATOM 650 CG2 VAL A 45 53.720 18.340 3.698 1.00 0.00 C ATOM 0 H VAL A 45 51.429 19.906 3.286 1.00 0.00 H new ATOM 0 HA VAL A 45 51.767 18.368 0.783 1.00 0.00 H new ATOM 0 HB VAL A 45 53.477 16.961 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 45 55.344 18.580 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 45 54.123 18.609 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 45 54.153 19.901 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 45 54.754 18.058 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 45 53.593 19.406 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 45 53.059 17.773 4.353 1.00 0.00 H new ATOM 660 N LEU A 46 50.428 16.549 1.704 1.00 0.00 N ATOM 661 CA LEU A 46 49.478 15.480 2.153 1.00 0.00 C ATOM 662 C LEU A 46 50.049 14.854 3.441 1.00 0.00 C ATOM 663 O LEU A 46 51.214 14.504 3.476 1.00 0.00 O ATOM 664 CB LEU A 46 49.383 14.465 1.018 1.00 0.00 C ATOM 665 CG LEU A 46 48.220 13.460 1.155 1.00 0.00 C ATOM 666 CD1 LEU A 46 46.871 14.216 1.103 1.00 0.00 C ATOM 667 CD2 LEU A 46 48.281 12.466 -0.030 1.00 0.00 C ATOM 0 H LEU A 46 50.604 16.546 0.699 1.00 0.00 H new ATOM 0 HA LEU A 46 48.480 15.859 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 46 49.274 15.002 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 46 50.320 13.912 0.963 1.00 0.00 H new ATOM 0 HG LEU A 46 48.304 12.929 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 46 46.051 13.504 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 46 46.825 14.936 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 46 46.785 14.741 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 46 47.464 11.749 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 46 48.189 13.013 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 46 49.233 11.935 -0.011 1.00 0.00 H new ATOM 679 N LYS A 47 49.217 14.741 4.444 1.00 0.00 N ATOM 680 CA LYS A 47 49.637 14.159 5.764 1.00 0.00 C ATOM 681 C LYS A 47 50.542 12.926 5.627 1.00 0.00 C ATOM 682 O LYS A 47 51.479 12.762 6.385 1.00 0.00 O ATOM 683 CB LYS A 47 48.355 13.800 6.560 1.00 0.00 C ATOM 684 CG LYS A 47 48.668 13.135 7.924 1.00 0.00 C ATOM 685 CD LYS A 47 49.486 14.086 8.833 1.00 0.00 C ATOM 686 CE LYS A 47 49.776 13.397 10.179 1.00 0.00 C ATOM 687 NZ LYS A 47 48.502 13.059 10.875 1.00 0.00 N ATOM 0 H LYS A 47 48.241 15.033 4.407 1.00 0.00 H new ATOM 0 HA LYS A 47 50.233 14.906 6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 47 47.770 14.704 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 47 47.739 13.127 5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 47 47.737 12.863 8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 47 49.225 12.212 7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 47 50.421 14.357 8.343 1.00 0.00 H new ATOM 0 HD3 LYS A 47 48.933 15.011 8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 47 50.358 12.491 10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 47 50.379 14.052 10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 48.690 12.900 11.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 47.829 13.844 10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 48.097 12.196 10.459 1.00 0.00 H new ATOM 701 N SER A 48 50.229 12.101 4.662 1.00 0.00 N ATOM 702 CA SER A 48 51.029 10.863 4.415 1.00 0.00 C ATOM 703 C SER A 48 51.141 10.639 2.913 1.00 0.00 C ATOM 704 O SER A 48 50.543 11.354 2.131 1.00 0.00 O ATOM 705 CB SER A 48 50.334 9.653 5.071 1.00 0.00 C ATOM 706 OG SER A 48 50.254 9.997 6.446 1.00 0.00 O ATOM 0 H SER A 48 49.443 12.234 4.026 1.00 0.00 H new ATOM 0 HA SER A 48 52.024 10.976 4.846 1.00 0.00 H new ATOM 0 HB2 SER A 48 49.345 9.483 4.645 1.00 0.00 H new ATOM 0 HB3 SER A 48 50.906 8.737 4.923 1.00 0.00 H new ATOM 0 HG SER A 48 49.818 9.272 6.940 1.00 0.00 H new ATOM 712 N LYS A 49 51.912 9.637 2.574 1.00 0.00 N ATOM 713 CA LYS A 49 52.152 9.255 1.148 1.00 0.00 C ATOM 714 C LYS A 49 50.823 9.163 0.369 1.00 0.00 C ATOM 715 O LYS A 49 50.804 9.305 -0.839 1.00 0.00 O ATOM 716 CB LYS A 49 52.886 7.906 1.153 1.00 0.00 C ATOM 717 CG LYS A 49 53.320 7.504 -0.273 1.00 0.00 C ATOM 718 CD LYS A 49 54.036 6.137 -0.212 1.00 0.00 C ATOM 719 CE LYS A 49 54.543 5.749 -1.610 1.00 0.00 C ATOM 720 NZ LYS A 49 55.536 6.752 -2.091 1.00 0.00 N ATOM 0 H LYS A 49 52.401 9.049 3.249 1.00 0.00 H new ATOM 0 HA LYS A 49 52.755 10.012 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 49 53.762 7.967 1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 49 52.236 7.136 1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 49 52.451 7.445 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 49 53.985 8.259 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 49 54.871 6.185 0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 49 53.352 5.375 0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 49 55.000 4.760 -1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 49 53.706 5.691 -2.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 55.117 7.314 -2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 55.802 7.381 -1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 56.383 6.261 -2.443 1.00 0.00 H new ATOM 734 N ASP A 50 49.755 8.931 1.095 1.00 0.00 N ATOM 735 CA ASP A 50 48.408 8.820 0.457 1.00 0.00 C ATOM 736 C ASP A 50 47.278 9.105 1.477 1.00 0.00 C ATOM 737 O ASP A 50 46.384 8.302 1.666 1.00 0.00 O ATOM 738 CB ASP A 50 48.300 7.388 -0.143 1.00 0.00 C ATOM 739 CG ASP A 50 46.964 7.202 -0.891 1.00 0.00 C ATOM 740 OD1 ASP A 50 46.785 7.913 -1.867 1.00 0.00 O ATOM 741 OD2 ASP A 50 46.199 6.362 -0.447 1.00 0.00 O ATOM 0 H ASP A 50 49.761 8.813 2.108 1.00 0.00 H new ATOM 0 HA ASP A 50 48.293 9.565 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 50 49.131 7.212 -0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 50 48.381 6.649 0.654 1.00 0.00 H new ATOM 746 N SER A 51 47.351 10.253 2.113 1.00 0.00 N ATOM 747 CA SER A 51 46.313 10.643 3.122 1.00 0.00 C ATOM 748 C SER A 51 45.242 11.472 2.379 1.00 0.00 C ATOM 749 O SER A 51 44.968 11.208 1.223 1.00 0.00 O ATOM 750 CB SER A 51 47.024 11.452 4.231 1.00 0.00 C ATOM 751 OG SER A 51 46.040 11.646 5.237 1.00 0.00 O ATOM 0 H SER A 51 48.091 10.941 1.974 1.00 0.00 H new ATOM 0 HA SER A 51 45.823 9.789 3.588 1.00 0.00 H new ATOM 0 HB2 SER A 51 47.886 10.912 4.622 1.00 0.00 H new ATOM 0 HB3 SER A 51 47.391 12.405 3.850 1.00 0.00 H new ATOM 0 HG SER A 51 46.407 11.386 6.108 1.00 0.00 H new ATOM 757 N SER A 52 44.669 12.441 3.049 1.00 0.00 N ATOM 758 CA SER A 52 43.616 13.315 2.436 1.00 0.00 C ATOM 759 C SER A 52 43.770 14.792 2.840 1.00 0.00 C ATOM 760 O SER A 52 43.384 15.670 2.094 1.00 0.00 O ATOM 761 CB SER A 52 42.233 12.798 2.876 1.00 0.00 C ATOM 762 OG SER A 52 42.250 12.881 4.295 1.00 0.00 O ATOM 0 H SER A 52 44.891 12.669 4.018 1.00 0.00 H new ATOM 0 HA SER A 52 43.724 13.268 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 52 41.431 13.404 2.454 1.00 0.00 H new ATOM 0 HB3 SER A 52 42.069 11.774 2.541 1.00 0.00 H new ATOM 0 HG SER A 52 41.393 12.567 4.651 1.00 0.00 H new ATOM 768 N GLU A 53 44.329 15.032 4.000 1.00 0.00 N ATOM 769 CA GLU A 53 44.514 16.444 4.474 1.00 0.00 C ATOM 770 C GLU A 53 45.992 16.845 4.501 1.00 0.00 C ATOM 771 O GLU A 53 46.776 16.324 5.270 1.00 0.00 O ATOM 772 CB GLU A 53 43.912 16.582 5.887 1.00 0.00 C ATOM 773 CG GLU A 53 42.409 16.237 5.843 1.00 0.00 C ATOM 774 CD GLU A 53 41.806 16.407 7.247 1.00 0.00 C ATOM 775 OE1 GLU A 53 41.864 15.437 7.985 1.00 0.00 O ATOM 776 OE2 GLU A 53 41.324 17.500 7.501 1.00 0.00 O ATOM 0 H GLU A 53 44.666 14.314 4.641 1.00 0.00 H new ATOM 0 HA GLU A 53 44.005 17.109 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 53 44.428 15.918 6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.052 17.598 6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 53 41.896 16.886 5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 53 42.269 15.213 5.497 1.00 0.00 H new ATOM 783 N CYS A 54 46.313 17.774 3.638 1.00 0.00 N ATOM 784 CA CYS A 54 47.704 18.295 3.518 1.00 0.00 C ATOM 785 C CYS A 54 47.961 19.319 4.635 1.00 0.00 C ATOM 786 O CYS A 54 47.081 20.063 5.023 1.00 0.00 O ATOM 787 CB CYS A 54 47.865 18.976 2.163 1.00 0.00 C ATOM 788 SG CYS A 54 47.409 18.067 0.665 1.00 0.00 S ATOM 0 H CYS A 54 45.648 18.204 2.995 1.00 0.00 H new ATOM 0 HA CYS A 54 48.415 17.474 3.605 1.00 0.00 H new ATOM 0 HB2 CYS A 54 47.276 19.893 2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.910 19.270 2.064 1.00 0.00 H new ATOM 793 N VAL A 55 49.179 19.304 5.102 1.00 0.00 N ATOM 794 CA VAL A 55 49.645 20.217 6.188 1.00 0.00 C ATOM 795 C VAL A 55 51.023 20.744 5.776 1.00 0.00 C ATOM 796 O VAL A 55 51.760 20.043 5.115 1.00 0.00 O ATOM 797 CB VAL A 55 49.751 19.437 7.521 1.00 0.00 C ATOM 798 CG1 VAL A 55 48.372 18.859 7.911 1.00 0.00 C ATOM 799 CG2 VAL A 55 50.791 18.281 7.441 1.00 0.00 C ATOM 0 H VAL A 55 49.901 18.669 4.761 1.00 0.00 H new ATOM 0 HA VAL A 55 48.945 21.040 6.332 1.00 0.00 H new ATOM 0 HB VAL A 55 50.088 20.142 8.281 1.00 0.00 H new ATOM 0 HG11 VAL A 55 48.459 18.313 8.850 1.00 0.00 H new ATOM 0 HG12 VAL A 55 47.657 19.673 8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 55 48.026 18.183 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 55 50.832 17.761 8.398 1.00 0.00 H new ATOM 0 HG22 VAL A 55 50.497 17.580 6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 55 51.774 18.691 7.209 1.00 0.00 H new ATOM 809 N HIS A 56 51.335 21.949 6.176 1.00 0.00 N ATOM 810 CA HIS A 56 52.656 22.567 5.825 1.00 0.00 C ATOM 811 C HIS A 56 53.881 21.631 5.982 1.00 0.00 C ATOM 812 O HIS A 56 53.939 20.850 6.914 1.00 0.00 O ATOM 813 CB HIS A 56 52.851 23.810 6.703 1.00 0.00 C ATOM 814 CG HIS A 56 51.727 24.805 6.396 1.00 0.00 C ATOM 815 ND1 HIS A 56 51.765 25.697 5.463 1.00 0.00 N ATOM 816 CD2 HIS A 56 50.489 24.982 6.989 1.00 0.00 C ATOM 817 CE1 HIS A 56 50.661 26.373 5.462 1.00 0.00 C ATOM 818 NE2 HIS A 56 49.838 25.963 6.395 1.00 0.00 N ATOM 0 H HIS A 56 50.725 22.542 6.739 1.00 0.00 H new ATOM 0 HA HIS A 56 52.613 22.808 4.763 1.00 0.00 H new ATOM 0 HB2 HIS A 56 52.835 23.535 7.758 1.00 0.00 H new ATOM 0 HB3 HIS A 56 53.822 24.264 6.506 1.00 0.00 H new ATOM 0 HD1 HIS A 56 52.546 25.846 4.824 1.00 0.00 H new ATOM 0 HD2 HIS A 56 50.111 24.401 7.818 1.00 0.00 H new ATOM 0 HE1 HIS A 56 50.445 27.178 4.775 1.00 0.00 H new ATOM 826 N PRO A 57 54.827 21.738 5.065 1.00 0.00 N ATOM 827 CA PRO A 57 56.099 20.991 5.151 1.00 0.00 C ATOM 828 C PRO A 57 56.993 21.511 6.287 1.00 0.00 C ATOM 829 O PRO A 57 58.089 21.022 6.473 1.00 0.00 O ATOM 830 CB PRO A 57 56.745 21.215 3.776 1.00 0.00 C ATOM 831 CG PRO A 57 56.201 22.516 3.321 1.00 0.00 C ATOM 832 CD PRO A 57 54.797 22.580 3.849 1.00 0.00 C ATOM 0 HA PRO A 57 55.948 19.936 5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 57 57.832 21.242 3.847 1.00 0.00 H new ATOM 0 HB3 PRO A 57 56.491 20.414 3.082 1.00 0.00 H new ATOM 0 HG2 PRO A 57 56.799 23.344 3.700 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.213 22.586 2.233 1.00 0.00 H new ATOM 0 HD2 PRO A 57 54.505 23.604 4.081 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.080 22.202 3.120 1.00 0.00 H new ATOM 840 N SER A 58 56.484 22.489 6.993 1.00 0.00 N ATOM 841 CA SER A 58 57.220 23.101 8.139 1.00 0.00 C ATOM 842 C SER A 58 56.935 22.220 9.367 1.00 0.00 C ATOM 843 O SER A 58 57.722 22.147 10.289 1.00 0.00 O ATOM 844 CB SER A 58 56.700 24.535 8.364 1.00 0.00 C ATOM 845 OG SER A 58 55.311 24.394 8.638 1.00 0.00 O ATOM 0 H SER A 58 55.566 22.898 6.817 1.00 0.00 H new ATOM 0 HA SER A 58 58.292 23.157 7.952 1.00 0.00 H new ATOM 0 HB2 SER A 58 57.218 25.015 9.195 1.00 0.00 H new ATOM 0 HB3 SER A 58 56.866 25.156 7.484 1.00 0.00 H new ATOM 0 HG SER A 58 54.917 25.278 8.794 1.00 0.00 H new ATOM 851 N LYS A 59 55.791 21.579 9.311 1.00 0.00 N ATOM 852 CA LYS A 59 55.330 20.671 10.402 1.00 0.00 C ATOM 853 C LYS A 59 55.956 19.328 10.043 1.00 0.00 C ATOM 854 O LYS A 59 56.731 18.764 10.789 1.00 0.00 O ATOM 855 CB LYS A 59 53.803 20.562 10.376 1.00 0.00 C ATOM 856 CG LYS A 59 53.163 21.946 10.540 1.00 0.00 C ATOM 857 CD LYS A 59 51.642 21.761 10.432 1.00 0.00 C ATOM 858 CE LYS A 59 50.929 23.117 10.585 1.00 0.00 C ATOM 859 NZ LYS A 59 51.236 23.716 11.916 1.00 0.00 N ATOM 0 H LYS A 59 55.141 21.653 8.529 1.00 0.00 H new ATOM 0 HA LYS A 59 55.611 21.018 11.396 1.00 0.00 H new ATOM 0 HB2 LYS A 59 53.480 20.115 9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 59 53.466 19.902 11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 59 53.430 22.381 11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 59 53.523 22.629 9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 59 51.390 21.316 9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 59 51.297 21.071 11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 59 51.247 23.794 9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 59 49.852 22.984 10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 50.555 24.475 12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 51.168 22.983 12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 52.199 24.108 11.906 1.00 0.00 H new ATOM 873 N CYS A 60 55.571 18.878 8.875 1.00 0.00 N ATOM 874 CA CYS A 60 56.076 17.585 8.345 1.00 0.00 C ATOM 875 C CYS A 60 57.554 17.625 7.908 1.00 0.00 C ATOM 876 O CYS A 60 58.082 18.722 7.848 1.00 0.00 O ATOM 877 CB CYS A 60 55.174 17.175 7.171 1.00 0.00 C ATOM 878 SG CYS A 60 53.672 16.268 7.604 1.00 0.00 S ATOM 879 OXT CYS A 60 58.078 16.552 7.658 1.00 0.00 O ATOM 0 H CYS A 60 54.918 19.364 8.260 1.00 0.00 H new ATOM 0 HA CYS A 60 56.039 16.851 9.150 1.00 0.00 H new ATOM 0 HB2 CYS A 60 54.887 18.075 6.628 1.00 0.00 H new ATOM 0 HB3 CYS A 60 55.760 16.562 6.486 1.00 0.00 H new TER 884 CYS A 60