USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 272 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 31 ASN : amide:sc= 0.301 X(o=0.59,f=0.23) USER MOD Set 1.2: A 44 GLN : amide:sc= 0.288 X(o=0.59,f=0.23) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0697 X(o=-0.07,f=-0.066) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0389 K(o=-0.039,f=-0.92) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.004 USER MOD Single : A 28 SER OG : rot 132:sc= 1.25 USER MOD Single : A 30 GLN : amide:sc= 0.603 K(o=0.6,f=0) USER MOD Single : A 45 ASN : amide:sc= 1.18 K(o=1.2,f=-0.078) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0269) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.0393 X(o=-0.039,f=-0.046) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.959 12.644 -6.837 1.00 0.00 N ATOM 2 CA PHE A 17 35.150 11.664 -6.032 1.00 0.00 C ATOM 3 C PHE A 17 33.693 12.055 -5.769 1.00 0.00 C ATOM 4 O PHE A 17 33.390 13.021 -5.070 1.00 0.00 O ATOM 5 CB PHE A 17 35.939 11.429 -4.704 1.00 0.00 C ATOM 6 CG PHE A 17 35.331 10.443 -3.725 1.00 0.00 C ATOM 7 CD1 PHE A 17 35.560 10.642 -2.353 1.00 0.00 C ATOM 8 CD2 PHE A 17 34.503 9.376 -4.118 1.00 0.00 C ATOM 9 CE1 PHE A 17 34.960 9.815 -1.394 1.00 0.00 C ATOM 10 CE2 PHE A 17 33.872 8.570 -3.163 1.00 0.00 C ATOM 11 CZ PHE A 17 34.105 8.783 -1.800 1.00 0.00 C ATOM 0 HA PHE A 17 35.040 10.752 -6.619 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.941 11.084 -4.958 1.00 0.00 H new ATOM 0 HB3 PHE A 17 36.051 12.388 -4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 17 36.208 11.444 -2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 17 34.352 9.176 -5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 17 35.157 9.973 -0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 17 33.204 7.782 -3.479 1.00 0.00 H new ATOM 0 HZ PHE A 17 33.627 8.154 -1.064 1.00 0.00 H new ATOM 23 N ASP A 18 32.745 11.256 -6.317 1.00 0.00 N ATOM 24 CA ASP A 18 31.357 11.249 -5.915 1.00 0.00 C ATOM 25 C ASP A 18 31.035 9.843 -5.426 1.00 0.00 C ATOM 26 O ASP A 18 31.646 8.864 -5.854 1.00 0.00 O ATOM 27 CB ASP A 18 30.413 11.637 -7.082 1.00 0.00 C ATOM 28 CG ASP A 18 30.650 13.081 -7.506 1.00 0.00 C ATOM 29 OD1 ASP A 18 30.395 13.986 -6.670 1.00 0.00 O ATOM 30 OD2 ASP A 18 31.055 13.290 -8.679 1.00 0.00 O ATOM 0 H ASP A 18 32.950 10.593 -7.064 1.00 0.00 H new ATOM 0 HA ASP A 18 31.202 11.988 -5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.580 10.972 -7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.375 11.508 -6.775 1.00 0.00 H new ATOM 35 N VAL A 19 30.055 9.706 -4.510 1.00 0.00 N ATOM 36 CA VAL A 19 29.611 8.410 -4.036 1.00 0.00 C ATOM 37 C VAL A 19 28.118 8.336 -4.271 1.00 0.00 C ATOM 38 O VAL A 19 27.388 9.302 -4.044 1.00 0.00 O ATOM 39 CB VAL A 19 29.995 8.154 -2.571 1.00 0.00 C ATOM 40 CG1 VAL A 19 29.376 9.185 -1.603 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.658 6.704 -2.164 1.00 0.00 C ATOM 0 H VAL A 19 29.562 10.494 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 19 30.115 7.616 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 19 31.074 8.284 -2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.681 8.955 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.720 10.185 -1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 19 28.289 9.144 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.938 6.544 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.588 6.532 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 19 30.210 6.010 -2.799 1.00 0.00 H new ATOM 51 N VAL A 20 27.635 7.186 -4.787 1.00 0.00 N ATOM 52 CA VAL A 20 26.222 6.934 -5.013 1.00 0.00 C ATOM 53 C VAL A 20 25.894 5.598 -4.397 1.00 0.00 C ATOM 54 O VAL A 20 26.770 4.758 -4.197 1.00 0.00 O ATOM 55 CB VAL A 20 25.792 6.936 -6.486 1.00 0.00 C ATOM 56 CG1 VAL A 20 26.008 8.342 -7.082 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.571 5.872 -7.287 1.00 0.00 C ATOM 0 H VAL A 20 28.234 6.406 -5.057 1.00 0.00 H new ATOM 0 HA VAL A 20 25.673 7.757 -4.555 1.00 0.00 H new ATOM 0 HB VAL A 20 24.733 6.683 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.703 8.344 -8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.412 9.067 -6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 20 27.062 8.609 -7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 20 26.249 5.892 -8.328 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.639 6.085 -7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.377 4.885 -6.866 1.00 0.00 H new ATOM 67 N SER A 21 24.609 5.361 -4.065 1.00 0.00 N ATOM 68 CA SER A 21 24.142 4.075 -3.593 1.00 0.00 C ATOM 69 C SER A 21 23.920 3.081 -4.727 1.00 0.00 C ATOM 70 O SER A 21 23.659 3.447 -5.871 1.00 0.00 O ATOM 71 CB SER A 21 22.865 4.244 -2.729 1.00 0.00 C ATOM 72 OG SER A 21 21.794 4.824 -3.470 1.00 0.00 O ATOM 0 H SER A 21 23.877 6.069 -4.123 1.00 0.00 H new ATOM 0 HA SER A 21 24.929 3.654 -2.968 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.556 3.272 -2.345 1.00 0.00 H new ATOM 0 HB3 SER A 21 23.091 4.871 -1.866 1.00 0.00 H new ATOM 0 HG SER A 21 21.007 4.913 -2.893 1.00 0.00 H new ATOM 78 N CYS A 22 24.046 1.770 -4.421 1.00 0.00 N ATOM 79 CA CYS A 22 23.986 0.696 -5.406 1.00 0.00 C ATOM 80 C CYS A 22 22.709 -0.123 -5.241 1.00 0.00 C ATOM 81 O CYS A 22 22.530 -1.161 -5.871 1.00 0.00 O ATOM 82 CB CYS A 22 25.264 -0.179 -5.266 1.00 0.00 C ATOM 83 SG CYS A 22 25.580 -1.359 -6.618 1.00 0.00 S ATOM 0 H CYS A 22 24.194 1.437 -3.468 1.00 0.00 H new ATOM 0 HA CYS A 22 23.956 1.114 -6.412 1.00 0.00 H new ATOM 0 HB2 CYS A 22 26.125 0.483 -5.180 1.00 0.00 H new ATOM 0 HB3 CYS A 22 25.197 -0.737 -4.332 1.00 0.00 H new ATOM 88 N ASN A 23 21.773 0.367 -4.392 1.00 0.00 N ATOM 89 CA ASN A 23 20.443 -0.181 -4.148 1.00 0.00 C ATOM 90 C ASN A 23 20.426 -1.644 -3.692 1.00 0.00 C ATOM 91 O ASN A 23 19.596 -2.443 -4.118 1.00 0.00 O ATOM 92 CB ASN A 23 19.553 0.064 -5.415 1.00 0.00 C ATOM 93 CG ASN A 23 18.041 -0.105 -5.209 1.00 0.00 C ATOM 94 OD1 ASN A 23 17.368 -0.798 -5.974 1.00 0.00 O ATOM 95 ND2 ASN A 23 17.477 0.585 -4.183 1.00 0.00 N ATOM 0 H ASN A 23 21.949 1.203 -3.834 1.00 0.00 H new ATOM 0 HA ASN A 23 20.024 0.351 -3.294 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.741 1.074 -5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.873 -0.622 -6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.470 0.538 -4.029 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.061 1.150 -3.567 1.00 0.00 H new ATOM 102 N LYS A 24 21.337 -2.023 -2.769 1.00 0.00 N ATOM 103 CA LYS A 24 21.380 -3.366 -2.227 1.00 0.00 C ATOM 104 C LYS A 24 21.697 -3.259 -0.747 1.00 0.00 C ATOM 105 O LYS A 24 22.528 -2.448 -0.338 1.00 0.00 O ATOM 106 CB LYS A 24 22.444 -4.231 -2.949 1.00 0.00 C ATOM 107 CG LYS A 24 22.507 -5.709 -2.522 1.00 0.00 C ATOM 108 CD LYS A 24 21.259 -6.511 -2.929 1.00 0.00 C ATOM 109 CE LYS A 24 21.466 -8.020 -2.813 1.00 0.00 C ATOM 110 NZ LYS A 24 20.256 -8.726 -3.277 1.00 0.00 N ATOM 0 H LYS A 24 22.051 -1.399 -2.392 1.00 0.00 H new ATOM 0 HA LYS A 24 20.417 -3.854 -2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 24 22.252 -4.190 -4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 24 23.423 -3.782 -2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 24 23.389 -6.171 -2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.629 -5.763 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 24 20.420 -6.214 -2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.991 -6.263 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.327 -8.325 -3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.681 -8.289 -1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.401 -9.753 -3.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.444 -8.444 -2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.070 -8.480 -4.270 1.00 0.00 H new ATOM 124 N ASN A 25 21.003 -4.058 0.092 1.00 0.00 N ATOM 125 CA ASN A 25 21.125 -4.075 1.538 1.00 0.00 C ATOM 126 C ASN A 25 22.177 -5.094 1.959 1.00 0.00 C ATOM 127 O ASN A 25 22.117 -6.246 1.536 1.00 0.00 O ATOM 128 CB ASN A 25 19.732 -4.411 2.144 1.00 0.00 C ATOM 129 CG ASN A 25 19.667 -4.336 3.673 1.00 0.00 C ATOM 130 OD1 ASN A 25 19.218 -3.332 4.227 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.108 -5.425 4.358 1.00 0.00 N ATOM 0 H ASN A 25 20.317 -4.732 -0.250 1.00 0.00 H new ATOM 0 HA ASN A 25 21.447 -3.101 1.907 1.00 0.00 H new ATOM 0 HB2 ASN A 25 18.994 -3.725 1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.446 -5.415 1.830 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.075 -5.434 5.377 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.471 -6.233 3.852 1.00 0.00 H new ATOM 138 N CYS A 26 23.146 -4.709 2.829 1.00 0.00 N ATOM 139 CA CYS A 26 24.193 -5.627 3.244 1.00 0.00 C ATOM 140 C CYS A 26 24.001 -5.971 4.717 1.00 0.00 C ATOM 141 O CYS A 26 23.411 -5.204 5.478 1.00 0.00 O ATOM 142 CB CYS A 26 25.630 -5.048 3.032 1.00 0.00 C ATOM 143 SG CYS A 26 26.272 -3.843 4.255 1.00 0.00 S ATOM 0 H CYS A 26 23.209 -3.778 3.242 1.00 0.00 H new ATOM 0 HA CYS A 26 24.110 -6.517 2.620 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.324 -5.887 2.997 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.655 -4.572 2.052 1.00 0.00 H new ATOM 148 N THR A 27 24.524 -7.134 5.166 1.00 0.00 N ATOM 149 CA THR A 27 24.476 -7.573 6.557 1.00 0.00 C ATOM 150 C THR A 27 25.824 -7.936 7.096 1.00 0.00 C ATOM 151 O THR A 27 26.730 -8.348 6.366 1.00 0.00 O ATOM 152 CB THR A 27 23.517 -8.731 6.825 1.00 0.00 C ATOM 153 OG1 THR A 27 23.678 -9.807 5.912 1.00 0.00 O ATOM 154 CG2 THR A 27 22.084 -8.202 6.807 1.00 0.00 C ATOM 0 H THR A 27 24.997 -7.797 4.552 1.00 0.00 H new ATOM 0 HA THR A 27 24.093 -6.696 7.080 1.00 0.00 H new ATOM 0 HB THR A 27 23.750 -9.142 7.807 1.00 0.00 H new ATOM 0 HG1 THR A 27 23.042 -10.520 6.131 1.00 0.00 H new ATOM 0 HG21 THR A 27 21.391 -9.022 6.997 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.967 -7.441 7.579 1.00 0.00 H new ATOM 0 HG23 THR A 27 21.870 -7.765 5.832 1.00 0.00 H new ATOM 162 N SER A 28 25.972 -7.791 8.439 1.00 0.00 N ATOM 163 CA SER A 28 27.188 -8.144 9.145 1.00 0.00 C ATOM 164 C SER A 28 27.443 -9.635 9.038 1.00 0.00 C ATOM 165 O SER A 28 26.591 -10.472 9.328 1.00 0.00 O ATOM 166 CB SER A 28 27.149 -7.740 10.645 1.00 0.00 C ATOM 167 OG SER A 28 28.368 -8.069 11.311 1.00 0.00 O ATOM 0 H SER A 28 25.238 -7.424 9.045 1.00 0.00 H new ATOM 0 HA SER A 28 27.996 -7.587 8.671 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.966 -6.669 10.729 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.318 -8.245 11.137 1.00 0.00 H new ATOM 0 HG SER A 28 28.676 -7.297 11.830 1.00 0.00 H new ATOM 173 N GLY A 29 28.657 -9.971 8.568 1.00 0.00 N ATOM 174 CA GLY A 29 29.114 -11.337 8.380 1.00 0.00 C ATOM 175 C GLY A 29 28.859 -11.857 6.994 1.00 0.00 C ATOM 176 O GLY A 29 29.321 -12.942 6.652 1.00 0.00 O ATOM 0 H GLY A 29 29.355 -9.276 8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 29 30.182 -11.389 8.590 1.00 0.00 H new ATOM 0 HA3 GLY A 29 28.615 -11.984 9.102 1.00 0.00 H new ATOM 180 N GLN A 30 28.094 -11.117 6.161 1.00 0.00 N ATOM 181 CA GLN A 30 27.802 -11.531 4.801 1.00 0.00 C ATOM 182 C GLN A 30 28.267 -10.505 3.785 1.00 0.00 C ATOM 183 O GLN A 30 28.899 -10.872 2.798 1.00 0.00 O ATOM 184 CB GLN A 30 26.281 -11.764 4.621 1.00 0.00 C ATOM 185 CG GLN A 30 25.687 -12.916 5.473 1.00 0.00 C ATOM 186 CD GLN A 30 26.142 -14.310 5.021 1.00 0.00 C ATOM 187 OE1 GLN A 30 25.423 -14.991 4.285 1.00 0.00 O ATOM 188 NE2 GLN A 30 27.339 -14.763 5.478 1.00 0.00 N ATOM 0 H GLN A 30 27.672 -10.226 6.424 1.00 0.00 H new ATOM 0 HA GLN A 30 28.345 -12.460 4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 30 25.756 -10.841 4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 30 26.083 -11.971 3.569 1.00 0.00 H new ATOM 0 HG2 GLN A 30 25.971 -12.770 6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.599 -12.866 5.429 1.00 0.00 H new ATOM 0 HE21 GLN A 30 27.909 -14.174 6.085 1.00 0.00 H new ATOM 0 HE22 GLN A 30 27.667 -15.692 5.214 1.00 0.00 H new ATOM 197 N ASN A 31 27.972 -9.195 4.000 1.00 0.00 N ATOM 198 CA ASN A 31 28.298 -8.107 3.083 1.00 0.00 C ATOM 199 C ASN A 31 27.865 -8.293 1.628 1.00 0.00 C ATOM 200 O ASN A 31 28.634 -8.061 0.697 1.00 0.00 O ATOM 201 CB ASN A 31 29.796 -7.695 3.154 1.00 0.00 C ATOM 202 CG ASN A 31 30.070 -6.996 4.485 1.00 0.00 C ATOM 203 OD1 ASN A 31 29.662 -5.845 4.665 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.760 -7.678 5.429 1.00 0.00 N ATOM 0 H ASN A 31 27.490 -8.875 4.840 1.00 0.00 H new ATOM 0 HA ASN A 31 27.680 -7.292 3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 31 30.431 -8.575 3.056 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.041 -7.031 2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 31 30.960 -7.242 6.329 1.00 0.00 H new ATOM 0 HD22 ASN A 31 31.080 -8.628 5.240 1.00 0.00 H new ATOM 211 N GLU A 32 26.596 -8.707 1.393 1.00 0.00 N ATOM 212 CA GLU A 32 26.061 -8.883 0.052 1.00 0.00 C ATOM 213 C GLU A 32 25.909 -7.574 -0.710 1.00 0.00 C ATOM 214 O GLU A 32 25.128 -6.709 -0.324 1.00 0.00 O ATOM 215 CB GLU A 32 24.671 -9.576 0.080 1.00 0.00 C ATOM 216 CG GLU A 32 24.720 -11.045 0.565 1.00 0.00 C ATOM 217 CD GLU A 32 23.335 -11.694 0.583 1.00 0.00 C ATOM 218 OE1 GLU A 32 22.861 -12.030 1.699 1.00 0.00 O ATOM 219 OE2 GLU A 32 22.751 -11.867 -0.519 1.00 0.00 O ATOM 0 H GLU A 32 25.930 -8.923 2.135 1.00 0.00 H new ATOM 0 HA GLU A 32 26.793 -9.507 -0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.005 -9.009 0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.240 -9.547 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.380 -11.619 -0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 32 25.149 -11.081 1.566 1.00 0.00 H new ATOM 226 N CYS A 33 26.634 -7.439 -1.843 1.00 0.00 N ATOM 227 CA CYS A 33 26.470 -6.385 -2.822 1.00 0.00 C ATOM 228 C CYS A 33 26.567 -7.056 -4.179 1.00 0.00 C ATOM 229 O CYS A 33 27.154 -8.139 -4.239 1.00 0.00 O ATOM 230 CB CYS A 33 27.558 -5.280 -2.739 1.00 0.00 C ATOM 231 SG CYS A 33 27.577 -4.393 -1.154 1.00 0.00 S ATOM 0 H CYS A 33 27.373 -8.096 -2.093 1.00 0.00 H new ATOM 0 HA CYS A 33 25.517 -5.887 -2.643 1.00 0.00 H new ATOM 0 HB2 CYS A 33 28.536 -5.732 -2.904 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.398 -4.563 -3.545 1.00 0.00 H new ATOM 236 N PRO A 34 26.057 -6.518 -5.289 1.00 0.00 N ATOM 237 CA PRO A 34 26.431 -6.975 -6.626 1.00 0.00 C ATOM 238 C PRO A 34 27.867 -6.576 -6.942 1.00 0.00 C ATOM 239 O PRO A 34 28.417 -5.676 -6.305 1.00 0.00 O ATOM 240 CB PRO A 34 25.431 -6.254 -7.545 1.00 0.00 C ATOM 241 CG PRO A 34 25.114 -4.957 -6.798 1.00 0.00 C ATOM 242 CD PRO A 34 25.107 -5.402 -5.336 1.00 0.00 C ATOM 0 HA PRO A 34 26.393 -8.058 -6.740 1.00 0.00 H new ATOM 0 HB2 PRO A 34 25.862 -6.055 -8.526 1.00 0.00 H new ATOM 0 HB3 PRO A 34 24.534 -6.852 -7.706 1.00 0.00 H new ATOM 0 HG2 PRO A 34 25.865 -4.189 -6.984 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.152 -4.541 -7.099 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.412 -4.592 -4.673 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.111 -5.714 -5.021 1.00 0.00 H new ATOM 250 N GLU A 35 28.518 -7.259 -7.911 1.00 0.00 N ATOM 251 CA GLU A 35 29.924 -7.068 -8.211 1.00 0.00 C ATOM 252 C GLU A 35 30.225 -5.663 -8.725 1.00 0.00 C ATOM 253 O GLU A 35 29.526 -5.122 -9.578 1.00 0.00 O ATOM 254 CB GLU A 35 30.443 -8.102 -9.254 1.00 0.00 C ATOM 255 CG GLU A 35 30.470 -9.584 -8.777 1.00 0.00 C ATOM 256 CD GLU A 35 29.134 -10.338 -8.835 1.00 0.00 C ATOM 257 OE1 GLU A 35 28.095 -9.718 -9.187 1.00 0.00 O ATOM 258 OE2 GLU A 35 29.158 -11.556 -8.522 1.00 0.00 O ATOM 0 H GLU A 35 28.065 -7.958 -8.500 1.00 0.00 H new ATOM 0 HA GLU A 35 30.444 -7.216 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 35 29.818 -8.037 -10.145 1.00 0.00 H new ATOM 0 HB3 GLU A 35 31.452 -7.816 -9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 35 31.196 -10.126 -9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 35 30.832 -9.607 -7.749 1.00 0.00 H new ATOM 265 N GLY A 36 31.298 -5.039 -8.182 1.00 0.00 N ATOM 266 CA GLY A 36 31.663 -3.656 -8.468 1.00 0.00 C ATOM 267 C GLY A 36 31.191 -2.693 -7.409 1.00 0.00 C ATOM 268 O GLY A 36 31.669 -1.564 -7.346 1.00 0.00 O ATOM 0 H GLY A 36 31.932 -5.498 -7.528 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.747 -3.583 -8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 36 31.241 -3.366 -9.430 1.00 0.00 H new ATOM 272 N CYS A 37 30.262 -3.125 -6.532 1.00 0.00 N ATOM 273 CA CYS A 37 29.773 -2.345 -5.411 1.00 0.00 C ATOM 274 C CYS A 37 30.264 -2.939 -4.104 1.00 0.00 C ATOM 275 O CYS A 37 30.640 -4.108 -4.025 1.00 0.00 O ATOM 276 CB CYS A 37 28.225 -2.246 -5.399 1.00 0.00 C ATOM 277 SG CYS A 37 27.598 -1.327 -6.840 1.00 0.00 S ATOM 0 H CYS A 37 29.831 -4.047 -6.598 1.00 0.00 H new ATOM 0 HA CYS A 37 30.167 -1.335 -5.523 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.796 -3.248 -5.392 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.899 -1.753 -4.483 1.00 0.00 H new ATOM 282 N PHE A 38 30.300 -2.114 -3.038 1.00 0.00 N ATOM 283 CA PHE A 38 30.826 -2.493 -1.739 1.00 0.00 C ATOM 284 C PHE A 38 29.919 -1.833 -0.722 1.00 0.00 C ATOM 285 O PHE A 38 29.147 -0.945 -1.077 1.00 0.00 O ATOM 286 CB PHE A 38 32.316 -2.053 -1.534 1.00 0.00 C ATOM 287 CG PHE A 38 32.460 -0.553 -1.466 1.00 0.00 C ATOM 288 CD1 PHE A 38 32.412 0.222 -2.633 1.00 0.00 C ATOM 289 CD2 PHE A 38 32.520 0.090 -0.215 1.00 0.00 C ATOM 290 CE1 PHE A 38 32.331 1.613 -2.550 1.00 0.00 C ATOM 291 CE2 PHE A 38 32.474 1.487 -0.132 1.00 0.00 C ATOM 292 CZ PHE A 38 32.364 2.249 -1.302 1.00 0.00 C ATOM 0 H PHE A 38 29.956 -1.154 -3.070 1.00 0.00 H new ATOM 0 HA PHE A 38 30.838 -3.578 -1.637 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.701 -2.496 -0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.923 -2.438 -2.353 1.00 0.00 H new ATOM 0 HD1 PHE A 38 32.438 -0.259 -3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 38 32.602 -0.498 0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 38 32.243 2.201 -3.451 1.00 0.00 H new ATOM 0 HE2 PHE A 38 32.523 1.975 0.830 1.00 0.00 H new ATOM 0 HZ PHE A 38 32.305 3.326 -1.242 1.00 0.00 H new ATOM 302 N CYS A 39 29.956 -2.251 0.560 1.00 0.00 N ATOM 303 CA CYS A 39 29.063 -1.686 1.550 1.00 0.00 C ATOM 304 C CYS A 39 29.884 -0.993 2.611 1.00 0.00 C ATOM 305 O CYS A 39 30.802 -1.574 3.188 1.00 0.00 O ATOM 306 CB CYS A 39 28.184 -2.792 2.175 1.00 0.00 C ATOM 307 SG CYS A 39 26.862 -2.192 3.253 1.00 0.00 S ATOM 0 H CYS A 39 30.590 -2.967 0.914 1.00 0.00 H new ATOM 0 HA CYS A 39 28.401 -0.961 1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 39 27.740 -3.381 1.372 1.00 0.00 H new ATOM 0 HB3 CYS A 39 28.823 -3.464 2.747 1.00 0.00 H new ATOM 312 N GLY A 40 29.555 0.284 2.915 1.00 0.00 N ATOM 313 CA GLY A 40 30.207 1.042 3.975 1.00 0.00 C ATOM 314 C GLY A 40 29.553 0.772 5.297 1.00 0.00 C ATOM 315 O GLY A 40 28.989 1.666 5.921 1.00 0.00 O ATOM 0 H GLY A 40 28.829 0.806 2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 40 31.263 0.774 4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 40 30.158 2.107 3.750 1.00 0.00 H new ATOM 319 N LEU A 41 29.600 -0.504 5.731 1.00 0.00 N ATOM 320 CA LEU A 41 28.961 -1.000 6.930 1.00 0.00 C ATOM 321 C LEU A 41 29.656 -0.451 8.172 1.00 0.00 C ATOM 322 O LEU A 41 30.880 -0.332 8.230 1.00 0.00 O ATOM 323 CB LEU A 41 28.935 -2.552 6.923 1.00 0.00 C ATOM 324 CG LEU A 41 27.703 -3.218 7.586 1.00 0.00 C ATOM 325 CD1 LEU A 41 27.815 -4.745 7.503 1.00 0.00 C ATOM 326 CD2 LEU A 41 27.377 -2.800 9.028 1.00 0.00 C ATOM 0 H LEU A 41 30.107 -1.230 5.225 1.00 0.00 H new ATOM 0 HA LEU A 41 27.928 -0.652 6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 41 28.993 -2.891 5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 41 29.832 -2.912 7.427 1.00 0.00 H new ATOM 0 HG LEU A 41 26.863 -2.842 7.002 1.00 0.00 H new ATOM 0 HD11 LEU A 41 26.943 -5.200 7.973 1.00 0.00 H new ATOM 0 HD12 LEU A 41 27.865 -5.050 6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 41 28.717 -5.072 8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 41 26.494 -3.339 9.372 1.00 0.00 H new ATOM 0 HD22 LEU A 41 28.222 -3.037 9.675 1.00 0.00 H new ATOM 0 HD23 LEU A 41 27.184 -1.728 9.061 1.00 0.00 H new ATOM 338 N LEU A 42 28.871 -0.073 9.203 1.00 0.00 N ATOM 339 CA LEU A 42 29.283 0.763 10.306 1.00 0.00 C ATOM 340 C LEU A 42 30.032 -0.090 11.322 1.00 0.00 C ATOM 341 O LEU A 42 29.501 -0.427 12.378 1.00 0.00 O ATOM 342 CB LEU A 42 28.053 1.373 11.038 1.00 0.00 C ATOM 343 CG LEU A 42 27.056 2.196 10.183 1.00 0.00 C ATOM 344 CD1 LEU A 42 27.709 3.143 9.165 1.00 0.00 C ATOM 345 CD2 LEU A 42 26.003 1.285 9.517 1.00 0.00 C ATOM 0 H LEU A 42 27.896 -0.364 9.275 1.00 0.00 H new ATOM 0 HA LEU A 42 29.908 1.562 9.906 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.502 0.559 11.509 1.00 0.00 H new ATOM 0 HB3 LEU A 42 28.421 2.014 11.839 1.00 0.00 H new ATOM 0 HG LEU A 42 26.552 2.854 10.891 1.00 0.00 H new ATOM 0 HD11 LEU A 42 26.934 3.676 8.614 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.340 3.861 9.689 1.00 0.00 H new ATOM 0 HD13 LEU A 42 28.317 2.565 8.469 1.00 0.00 H new ATOM 0 HD21 LEU A 42 25.319 1.892 8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 42 26.503 0.565 8.869 1.00 0.00 H new ATOM 0 HD23 LEU A 42 25.443 0.753 10.286 1.00 0.00 H new ATOM 357 N GLY A 43 31.276 -0.517 11.008 1.00 0.00 N ATOM 358 CA GLY A 43 32.106 -1.319 11.905 1.00 0.00 C ATOM 359 C GLY A 43 31.664 -2.759 11.999 1.00 0.00 C ATOM 360 O GLY A 43 32.065 -3.476 12.910 1.00 0.00 O ATOM 0 H GLY A 43 31.726 -0.308 10.117 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.139 -1.285 11.560 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.088 -0.875 12.900 1.00 0.00 H new ATOM 364 N GLN A 44 30.801 -3.187 11.051 1.00 0.00 N ATOM 365 CA GLN A 44 30.085 -4.453 11.016 1.00 0.00 C ATOM 366 C GLN A 44 29.223 -4.733 12.248 1.00 0.00 C ATOM 367 O GLN A 44 29.140 -5.861 12.729 1.00 0.00 O ATOM 368 CB GLN A 44 31.031 -5.648 10.719 1.00 0.00 C ATOM 369 CG GLN A 44 31.707 -5.530 9.334 1.00 0.00 C ATOM 370 CD GLN A 44 32.499 -6.790 8.979 1.00 0.00 C ATOM 371 OE1 GLN A 44 32.123 -7.515 8.053 1.00 0.00 O ATOM 372 NE2 GLN A 44 33.606 -7.055 9.718 1.00 0.00 N ATOM 0 H GLN A 44 30.581 -2.607 10.241 1.00 0.00 H new ATOM 0 HA GLN A 44 29.386 -4.346 10.186 1.00 0.00 H new ATOM 0 HB2 GLN A 44 31.798 -5.702 11.492 1.00 0.00 H new ATOM 0 HB3 GLN A 44 30.464 -6.578 10.766 1.00 0.00 H new ATOM 0 HG2 GLN A 44 30.947 -5.352 8.573 1.00 0.00 H new ATOM 0 HG3 GLN A 44 32.374 -4.668 9.327 1.00 0.00 H new ATOM 0 HE21 GLN A 44 33.877 -6.426 10.474 1.00 0.00 H new ATOM 0 HE22 GLN A 44 34.167 -7.883 9.518 1.00 0.00 H new ATOM 381 N ASN A 45 28.507 -3.705 12.768 1.00 0.00 N ATOM 382 CA ASN A 45 27.565 -3.885 13.868 1.00 0.00 C ATOM 383 C ASN A 45 26.317 -4.682 13.542 1.00 0.00 C ATOM 384 O ASN A 45 25.921 -5.557 14.308 1.00 0.00 O ATOM 385 CB ASN A 45 27.150 -2.523 14.499 1.00 0.00 C ATOM 386 CG ASN A 45 28.252 -2.027 15.441 1.00 0.00 C ATOM 387 OD1 ASN A 45 28.302 -2.460 16.595 1.00 0.00 O ATOM 388 ND2 ASN A 45 29.153 -1.134 14.973 1.00 0.00 N ATOM 0 H ASN A 45 28.575 -2.744 12.432 1.00 0.00 H new ATOM 0 HA ASN A 45 28.129 -4.484 14.583 1.00 0.00 H new ATOM 0 HB2 ASN A 45 26.972 -1.788 13.714 1.00 0.00 H new ATOM 0 HB3 ASN A 45 26.215 -2.636 15.047 1.00 0.00 H new ATOM 0 HD21 ASN A 45 29.902 -0.799 15.580 1.00 0.00 H new ATOM 0 HD22 ASN A 45 29.084 -0.795 14.013 1.00 0.00 H new ATOM 395 N LYS A 46 25.664 -4.406 12.395 1.00 0.00 N ATOM 396 CA LYS A 46 24.420 -5.072 12.061 1.00 0.00 C ATOM 397 C LYS A 46 24.140 -5.120 10.572 1.00 0.00 C ATOM 398 O LYS A 46 24.134 -6.198 9.974 1.00 0.00 O ATOM 399 CB LYS A 46 23.242 -4.445 12.881 1.00 0.00 C ATOM 400 CG LYS A 46 23.069 -2.913 12.807 1.00 0.00 C ATOM 401 CD LYS A 46 21.882 -2.401 13.642 1.00 0.00 C ATOM 402 CE LYS A 46 22.012 -0.943 14.095 1.00 0.00 C ATOM 403 NZ LYS A 46 22.208 -0.054 12.935 1.00 0.00 N ATOM 0 H LYS A 46 25.985 -3.731 11.701 1.00 0.00 H new ATOM 0 HA LYS A 46 24.520 -6.118 12.350 1.00 0.00 H new ATOM 0 HB2 LYS A 46 22.313 -4.907 12.545 1.00 0.00 H new ATOM 0 HB3 LYS A 46 23.375 -4.720 13.927 1.00 0.00 H new ATOM 0 HG2 LYS A 46 23.984 -2.432 13.153 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.928 -2.619 11.767 1.00 0.00 H new ATOM 0 HD2 LYS A 46 20.969 -2.507 13.057 1.00 0.00 H new ATOM 0 HD3 LYS A 46 21.772 -3.034 14.522 1.00 0.00 H new ATOM 0 HE2 LYS A 46 21.117 -0.645 14.641 1.00 0.00 H new ATOM 0 HE3 LYS A 46 22.852 -0.844 14.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.175 0.937 13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 23.132 -0.250 12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.455 -0.222 12.238 1.00 0.00 H new ATOM 417 N LYS A 47 23.937 -3.962 9.919 1.00 0.00 N ATOM 418 CA LYS A 47 23.512 -3.901 8.546 1.00 0.00 C ATOM 419 C LYS A 47 23.914 -2.564 7.976 1.00 0.00 C ATOM 420 O LYS A 47 24.202 -1.620 8.713 1.00 0.00 O ATOM 421 CB LYS A 47 21.976 -4.117 8.410 1.00 0.00 C ATOM 422 CG LYS A 47 21.101 -3.052 9.102 1.00 0.00 C ATOM 423 CD LYS A 47 19.590 -3.353 9.048 1.00 0.00 C ATOM 424 CE LYS A 47 19.007 -3.363 7.636 1.00 0.00 C ATOM 425 NZ LYS A 47 17.544 -3.555 7.698 1.00 0.00 N ATOM 0 H LYS A 47 24.069 -3.047 10.349 1.00 0.00 H new ATOM 0 HA LYS A 47 23.995 -4.704 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.721 -4.142 7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.725 -5.095 8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.407 -2.966 10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.286 -2.085 8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.406 -4.322 9.512 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.061 -2.609 9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.238 -2.425 7.131 1.00 0.00 H new ATOM 0 HE3 LYS A 47 19.463 -4.161 7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.153 -3.561 6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.332 -4.461 8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.115 -2.779 8.241 1.00 0.00 H new ATOM 439 N GLY A 48 23.956 -2.472 6.635 1.00 0.00 N ATOM 440 CA GLY A 48 24.229 -1.234 5.926 1.00 0.00 C ATOM 441 C GLY A 48 23.719 -1.334 4.512 1.00 0.00 C ATOM 442 O GLY A 48 23.040 -2.292 4.152 1.00 0.00 O ATOM 0 H GLY A 48 23.798 -3.269 6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 48 23.751 -0.398 6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.301 -1.034 5.923 1.00 0.00 H new ATOM 446 N HIS A 49 24.037 -0.339 3.657 1.00 0.00 N ATOM 447 CA HIS A 49 23.523 -0.278 2.299 1.00 0.00 C ATOM 448 C HIS A 49 24.703 -0.121 1.347 1.00 0.00 C ATOM 449 O HIS A 49 25.678 0.553 1.672 1.00 0.00 O ATOM 450 CB HIS A 49 22.524 0.903 2.188 1.00 0.00 C ATOM 451 CG HIS A 49 21.737 0.991 0.910 1.00 0.00 C ATOM 452 ND1 HIS A 49 20.835 -0.013 0.607 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.634 2.008 0.014 1.00 0.00 C ATOM 454 CE1 HIS A 49 20.211 0.411 -0.473 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.649 1.630 -0.874 1.00 0.00 N ATOM 0 H HIS A 49 24.655 0.435 3.900 1.00 0.00 H new ATOM 0 HA HIS A 49 22.987 -1.190 2.035 1.00 0.00 H new ATOM 0 HB2 HIS A 49 21.821 0.836 3.019 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.078 1.833 2.313 1.00 0.00 H new ATOM 0 HD2 HIS A 49 22.206 2.924 0.000 1.00 0.00 H new ATOM 0 HE1 HIS A 49 19.439 -0.148 -0.981 1.00 0.00 H new ATOM 0 HE2 HIS A 49 20.315 2.164 -1.676 1.00 0.00 H new ATOM 463 N CYS A 50 24.683 -0.791 0.168 1.00 0.00 N ATOM 464 CA CYS A 50 25.819 -0.835 -0.752 1.00 0.00 C ATOM 465 C CYS A 50 25.998 0.444 -1.564 1.00 0.00 C ATOM 466 O CYS A 50 25.024 1.097 -1.946 1.00 0.00 O ATOM 467 CB CYS A 50 25.716 -2.017 -1.753 1.00 0.00 C ATOM 468 SG CYS A 50 25.704 -3.636 -0.928 1.00 0.00 S ATOM 0 H CYS A 50 23.871 -1.313 -0.161 1.00 0.00 H new ATOM 0 HA CYS A 50 26.683 -0.962 -0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.807 -1.909 -2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.555 -1.974 -2.447 1.00 0.00 H new ATOM 473 N TYR A 51 27.267 0.824 -1.865 1.00 0.00 N ATOM 474 CA TYR A 51 27.603 2.069 -2.543 1.00 0.00 C ATOM 475 C TYR A 51 28.457 1.749 -3.763 1.00 0.00 C ATOM 476 O TYR A 51 29.055 0.677 -3.871 1.00 0.00 O ATOM 477 CB TYR A 51 28.488 3.083 -1.755 1.00 0.00 C ATOM 478 CG TYR A 51 28.029 3.444 -0.370 1.00 0.00 C ATOM 479 CD1 TYR A 51 29.038 3.771 0.551 1.00 0.00 C ATOM 480 CD2 TYR A 51 26.700 3.363 0.081 1.00 0.00 C ATOM 481 CE1 TYR A 51 28.743 3.945 1.908 1.00 0.00 C ATOM 482 CE2 TYR A 51 26.406 3.518 1.443 1.00 0.00 C ATOM 483 CZ TYR A 51 27.424 3.804 2.358 1.00 0.00 C ATOM 484 OH TYR A 51 27.114 3.910 3.730 1.00 0.00 O ATOM 0 H TYR A 51 28.083 0.257 -1.634 1.00 0.00 H new ATOM 0 HA TYR A 51 26.628 2.519 -2.727 1.00 0.00 H new ATOM 0 HB2 TYR A 51 29.495 2.672 -1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 51 28.558 4.000 -2.340 1.00 0.00 H new ATOM 0 HD1 TYR A 51 30.055 3.890 0.207 1.00 0.00 H new ATOM 0 HD2 TYR A 51 25.903 3.181 -0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 51 29.530 4.187 2.606 1.00 0.00 H new ATOM 0 HE2 TYR A 51 25.388 3.416 1.787 1.00 0.00 H new ATOM 0 HH TYR A 51 26.150 3.786 3.858 1.00 0.00 H new ATOM 494 N LYS A 52 28.550 2.721 -4.696 1.00 0.00 N ATOM 495 CA LYS A 52 29.511 2.732 -5.780 1.00 0.00 C ATOM 496 C LYS A 52 30.353 4.005 -5.670 1.00 0.00 C ATOM 497 O LYS A 52 29.823 5.091 -5.421 1.00 0.00 O ATOM 498 CB LYS A 52 28.787 2.684 -7.147 1.00 0.00 C ATOM 499 CG LYS A 52 29.705 2.607 -8.380 1.00 0.00 C ATOM 500 CD LYS A 52 28.944 2.622 -9.721 1.00 0.00 C ATOM 501 CE LYS A 52 27.909 1.506 -9.875 1.00 0.00 C ATOM 502 NZ LYS A 52 27.365 1.517 -11.248 1.00 0.00 N ATOM 0 H LYS A 52 27.934 3.534 -4.701 1.00 0.00 H new ATOM 0 HA LYS A 52 30.154 1.854 -5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 52 28.122 1.820 -7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 52 28.159 3.571 -7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 52 30.400 3.446 -8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 52 30.302 1.697 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 52 28.442 3.583 -9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 52 29.665 2.546 -10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 52 28.367 0.540 -9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 52 27.103 1.642 -9.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.662 0.757 -11.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 26.912 2.435 -11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 28.137 1.367 -11.929 1.00 0.00 H new ATOM 516 N ILE A 53 31.695 3.896 -5.854 1.00 0.00 N ATOM 517 CA ILE A 53 32.621 5.024 -5.938 1.00 0.00 C ATOM 518 C ILE A 53 32.906 5.324 -7.392 1.00 0.00 C ATOM 519 O ILE A 53 33.300 4.451 -8.165 1.00 0.00 O ATOM 520 CB ILE A 53 33.945 4.807 -5.187 1.00 0.00 C ATOM 521 CG1 ILE A 53 33.709 4.714 -3.662 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.999 5.892 -5.523 1.00 0.00 C ATOM 523 CD1 ILE A 53 34.900 4.141 -2.884 1.00 0.00 C ATOM 0 H ILE A 53 32.160 2.993 -5.949 1.00 0.00 H new ATOM 0 HA ILE A 53 32.131 5.865 -5.448 1.00 0.00 H new ATOM 0 HB ILE A 53 34.351 3.855 -5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 53 33.481 5.708 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 53 32.833 4.092 -3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 53 35.915 5.693 -4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 53 35.212 5.874 -6.592 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.612 6.873 -5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 53 34.658 4.107 -1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 53 35.116 3.133 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 53 35.774 4.775 -3.037 1.00 0.00 H new ATOM 535 N ILE A 54 32.696 6.596 -7.786 1.00 0.00 N ATOM 536 CA ILE A 54 32.973 7.119 -9.105 1.00 0.00 C ATOM 537 C ILE A 54 33.751 8.415 -8.953 1.00 0.00 C ATOM 538 O ILE A 54 33.600 9.148 -7.975 1.00 0.00 O ATOM 539 CB ILE A 54 31.712 7.308 -9.962 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.642 8.240 -9.323 1.00 0.00 C ATOM 541 CG2 ILE A 54 31.147 5.929 -10.370 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.708 7.595 -8.280 1.00 0.00 C ATOM 0 H ILE A 54 32.313 7.301 -7.156 1.00 0.00 H new ATOM 0 HA ILE A 54 33.570 6.386 -9.647 1.00 0.00 H new ATOM 0 HB ILE A 54 32.010 7.842 -10.864 1.00 0.00 H new ATOM 0 HG12 ILE A 54 31.156 9.077 -8.850 1.00 0.00 H new ATOM 0 HG13 ILE A 54 30.028 8.654 -10.123 1.00 0.00 H new ATOM 0 HG21 ILE A 54 30.253 6.068 -10.978 1.00 0.00 H new ATOM 0 HG22 ILE A 54 31.896 5.385 -10.945 1.00 0.00 H new ATOM 0 HG23 ILE A 54 30.893 5.361 -9.475 1.00 0.00 H new ATOM 0 HD11 ILE A 54 29.008 8.342 -7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 54 29.155 6.778 -8.743 1.00 0.00 H new ATOM 0 HD13 ILE A 54 30.301 7.208 -7.451 1.00 0.00 H new ATOM 554 N GLY A 55 34.647 8.743 -9.907 1.00 0.00 N ATOM 555 CA GLY A 55 35.457 9.937 -9.760 1.00 0.00 C ATOM 556 C GLY A 55 36.666 9.871 -10.637 1.00 0.00 C ATOM 557 O GLY A 55 36.675 9.198 -11.662 1.00 0.00 O ATOM 0 H GLY A 55 34.815 8.206 -10.758 1.00 0.00 H new ATOM 0 HA2 GLY A 55 34.865 10.816 -10.014 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.763 10.048 -8.720 1.00 0.00 H new