USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 278 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -169:sc= 0.003 USER MOD Single : A 30 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.033) USER MOD Single : A 31 ASN : amide:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 0.876 K(o=0.88,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.067) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc=-0.00849 K(o=-0.0085,f=-0.56) 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 Single : A 56 ASN : amide:sc= 0.5 K(o=0.5,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.072 12.826 -7.259 1.00 0.00 N ATOM 2 CA PHE A 17 34.265 11.906 -6.385 1.00 0.00 C ATOM 3 C PHE A 17 32.760 12.172 -6.319 1.00 0.00 C ATOM 4 O PHE A 17 32.284 13.164 -5.767 1.00 0.00 O ATOM 5 CB PHE A 17 34.936 11.940 -4.974 1.00 0.00 C ATOM 6 CG PHE A 17 34.287 11.110 -3.888 1.00 0.00 C ATOM 7 CD1 PHE A 17 34.305 11.592 -2.566 1.00 0.00 C ATOM 8 CD2 PHE A 17 33.638 9.893 -4.150 1.00 0.00 C ATOM 9 CE1 PHE A 17 33.673 10.887 -1.534 1.00 0.00 C ATOM 10 CE2 PHE A 17 32.988 9.198 -3.125 1.00 0.00 C ATOM 11 CZ PHE A 17 33.006 9.690 -1.816 1.00 0.00 C ATOM 0 HA PHE A 17 34.287 10.913 -6.834 1.00 0.00 H new ATOM 0 HB2 PHE A 17 35.969 11.610 -5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 17 34.966 12.976 -4.637 1.00 0.00 H new ATOM 0 HD1 PHE A 17 34.813 12.519 -2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 17 33.641 9.490 -5.152 1.00 0.00 H new ATOM 0 HE1 PHE A 17 33.700 11.266 -0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 17 32.469 8.277 -3.346 1.00 0.00 H new ATOM 0 HZ PHE A 17 32.507 9.148 -1.026 1.00 0.00 H new ATOM 23 N ASP A 18 31.970 11.219 -6.868 1.00 0.00 N ATOM 24 CA ASP A 18 30.558 11.061 -6.604 1.00 0.00 C ATOM 25 C ASP A 18 30.362 9.714 -5.921 1.00 0.00 C ATOM 26 O ASP A 18 31.090 8.755 -6.187 1.00 0.00 O ATOM 27 CB ASP A 18 29.730 11.122 -7.913 1.00 0.00 C ATOM 28 CG ASP A 18 29.794 12.518 -8.521 1.00 0.00 C ATOM 29 OD1 ASP A 18 30.315 12.641 -9.660 1.00 0.00 O ATOM 30 OD2 ASP A 18 29.276 13.462 -7.870 1.00 0.00 O ATOM 0 H ASP A 18 32.329 10.527 -7.525 1.00 0.00 H new ATOM 0 HA ASP A 18 30.211 11.873 -5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.111 10.391 -8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.693 10.856 -7.707 1.00 0.00 H new ATOM 35 N VAL A 19 29.354 9.607 -5.028 1.00 0.00 N ATOM 36 CA VAL A 19 28.944 8.340 -4.453 1.00 0.00 C ATOM 37 C VAL A 19 27.473 8.179 -4.773 1.00 0.00 C ATOM 38 O VAL A 19 26.683 9.116 -4.649 1.00 0.00 O ATOM 39 CB VAL A 19 29.234 8.235 -2.947 1.00 0.00 C ATOM 40 CG1 VAL A 19 28.511 9.322 -2.122 1.00 0.00 C ATOM 41 CG2 VAL A 19 28.921 6.814 -2.429 1.00 0.00 C ATOM 0 H VAL A 19 28.812 10.405 -4.696 1.00 0.00 H new ATOM 0 HA VAL A 19 29.526 7.527 -4.886 1.00 0.00 H new ATOM 0 HB VAL A 19 30.300 8.418 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 19 28.753 9.198 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 19 28.835 10.308 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 19 27.434 9.228 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.133 6.761 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 19 27.869 6.587 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 19 29.540 6.089 -2.958 1.00 0.00 H new ATOM 51 N VAL A 20 27.083 6.983 -5.257 1.00 0.00 N ATOM 52 CA VAL A 20 25.712 6.641 -5.594 1.00 0.00 C ATOM 53 C VAL A 20 25.405 5.288 -5.005 1.00 0.00 C ATOM 54 O VAL A 20 26.301 4.476 -4.771 1.00 0.00 O ATOM 55 CB VAL A 20 25.408 6.643 -7.096 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.510 8.075 -7.652 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.382 5.720 -7.828 1.00 0.00 C ATOM 0 H VAL A 20 27.738 6.219 -5.424 1.00 0.00 H new ATOM 0 HA VAL A 20 25.075 7.419 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 20 24.393 6.277 -7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.292 8.067 -8.720 1.00 0.00 H new ATOM 0 HG12 VAL A 20 24.792 8.716 -7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.518 8.457 -7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 20 26.158 5.728 -8.895 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.403 6.068 -7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.280 4.705 -7.443 1.00 0.00 H new ATOM 67 N SER A 21 24.110 5.019 -4.727 1.00 0.00 N ATOM 68 CA SER A 21 23.671 3.742 -4.196 1.00 0.00 C ATOM 69 C SER A 21 23.551 2.665 -5.261 1.00 0.00 C ATOM 70 O SER A 21 23.381 2.941 -6.446 1.00 0.00 O ATOM 71 CB SER A 21 22.333 3.852 -3.406 1.00 0.00 C ATOM 72 OG SER A 21 21.211 4.199 -4.218 1.00 0.00 O ATOM 0 H SER A 21 23.354 5.689 -4.869 1.00 0.00 H new ATOM 0 HA SER A 21 24.457 3.443 -3.503 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.133 2.900 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.446 4.599 -2.620 1.00 0.00 H new ATOM 0 HG SER A 21 20.407 4.249 -3.660 1.00 0.00 H new ATOM 78 N CYS A 22 23.652 1.387 -4.835 1.00 0.00 N ATOM 79 CA CYS A 22 23.620 0.233 -5.721 1.00 0.00 C ATOM 80 C CYS A 22 22.372 -0.609 -5.459 1.00 0.00 C ATOM 81 O CYS A 22 22.236 -1.727 -5.947 1.00 0.00 O ATOM 82 CB CYS A 22 24.938 -0.557 -5.509 1.00 0.00 C ATOM 83 SG CYS A 22 25.351 -1.806 -6.765 1.00 0.00 S ATOM 0 H CYS A 22 23.759 1.139 -3.851 1.00 0.00 H new ATOM 0 HA CYS A 22 23.557 0.538 -6.766 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.759 0.158 -5.457 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.886 -1.053 -4.540 1.00 0.00 H new ATOM 88 N ASN A 23 21.419 -0.047 -4.673 1.00 0.00 N ATOM 89 CA ASN A 23 20.080 -0.556 -4.373 1.00 0.00 C ATOM 90 C ASN A 23 20.035 -1.933 -3.704 1.00 0.00 C ATOM 91 O ASN A 23 19.063 -2.676 -3.828 1.00 0.00 O ATOM 92 CB ASN A 23 19.185 -0.567 -5.648 1.00 0.00 C ATOM 93 CG ASN A 23 19.047 0.830 -6.257 1.00 0.00 C ATOM 94 OD1 ASN A 23 19.399 1.046 -7.419 1.00 0.00 O ATOM 95 ND2 ASN A 23 18.520 1.807 -5.473 1.00 0.00 N ATOM 0 H ASN A 23 21.592 0.841 -4.202 1.00 0.00 H new ATOM 0 HA ASN A 23 19.689 0.146 -3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.613 -1.245 -6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 23 18.197 -0.953 -5.396 1.00 0.00 H new ATOM 0 HD21 ASN A 23 18.406 2.751 -5.842 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.238 1.596 -4.516 1.00 0.00 H new ATOM 102 N LYS A 24 21.088 -2.269 -2.938 1.00 0.00 N ATOM 103 CA LYS A 24 21.261 -3.492 -2.178 1.00 0.00 C ATOM 104 C LYS A 24 21.771 -3.083 -0.814 1.00 0.00 C ATOM 105 O LYS A 24 22.293 -1.978 -0.660 1.00 0.00 O ATOM 106 CB LYS A 24 22.276 -4.450 -2.858 1.00 0.00 C ATOM 107 CG LYS A 24 21.771 -5.109 -4.154 1.00 0.00 C ATOM 108 CD LYS A 24 20.817 -6.293 -3.910 1.00 0.00 C ATOM 109 CE LYS A 24 21.557 -7.561 -3.472 1.00 0.00 C ATOM 110 NZ LYS A 24 20.606 -8.678 -3.315 1.00 0.00 N ATOM 0 H LYS A 24 21.887 -1.643 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 24 20.316 -4.031 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 24 23.187 -3.894 -3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.546 -5.233 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.260 -4.359 -4.758 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.627 -5.456 -4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 24 20.090 -6.018 -3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.258 -6.499 -4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.316 -7.821 -4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 24 22.076 -7.381 -2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.120 -9.532 -3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.897 -8.432 -2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.130 -8.858 -4.222 1.00 0.00 H new ATOM 124 N ASN A 25 21.640 -3.943 0.220 1.00 0.00 N ATOM 125 CA ASN A 25 22.238 -3.664 1.510 1.00 0.00 C ATOM 126 C ASN A 25 22.900 -4.918 2.042 1.00 0.00 C ATOM 127 O ASN A 25 22.631 -6.020 1.567 1.00 0.00 O ATOM 128 CB ASN A 25 21.201 -3.119 2.546 1.00 0.00 C ATOM 129 CG ASN A 25 20.097 -4.122 2.910 1.00 0.00 C ATOM 130 OD1 ASN A 25 19.089 -4.272 2.220 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.328 -4.849 4.038 1.00 0.00 N ATOM 0 H ASN A 25 21.127 -4.823 0.171 1.00 0.00 H new ATOM 0 HA ASN A 25 22.982 -2.881 1.366 1.00 0.00 H new ATOM 0 HB2 ASN A 25 21.728 -2.829 3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 25 20.740 -2.217 2.143 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.652 -5.550 4.340 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.177 -4.692 4.581 1.00 0.00 H new ATOM 138 N CYS A 26 23.755 -4.773 3.079 1.00 0.00 N ATOM 139 CA CYS A 26 24.337 -5.906 3.766 1.00 0.00 C ATOM 140 C CYS A 26 23.922 -5.798 5.219 1.00 0.00 C ATOM 141 O CYS A 26 23.815 -4.702 5.770 1.00 0.00 O ATOM 142 CB CYS A 26 25.889 -5.937 3.804 1.00 0.00 C ATOM 143 SG CYS A 26 26.703 -5.694 2.204 1.00 0.00 S ATOM 0 H CYS A 26 24.048 -3.868 3.447 1.00 0.00 H new ATOM 0 HA CYS A 26 23.995 -6.789 3.227 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.235 -5.165 4.491 1.00 0.00 H new ATOM 0 HB3 CYS A 26 26.208 -6.895 4.214 1.00 0.00 H new ATOM 148 N THR A 27 23.742 -6.948 5.892 1.00 0.00 N ATOM 149 CA THR A 27 23.901 -7.058 7.334 1.00 0.00 C ATOM 150 C THR A 27 25.305 -7.498 7.676 1.00 0.00 C ATOM 151 O THR A 27 26.079 -7.935 6.822 1.00 0.00 O ATOM 152 CB THR A 27 22.873 -7.962 8.002 1.00 0.00 C ATOM 153 OG1 THR A 27 22.769 -9.222 7.361 1.00 0.00 O ATOM 154 CG2 THR A 27 21.501 -7.278 8.043 1.00 0.00 C ATOM 0 H THR A 27 23.481 -7.824 5.440 1.00 0.00 H new ATOM 0 HA THR A 27 23.722 -6.061 7.736 1.00 0.00 H new ATOM 0 HB THR A 27 23.219 -8.140 9.020 1.00 0.00 H new ATOM 0 HG1 THR A 27 22.100 -9.770 7.823 1.00 0.00 H new ATOM 0 HG21 THR A 27 20.779 -7.939 8.524 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.575 -6.349 8.608 1.00 0.00 H new ATOM 0 HG23 THR A 27 21.173 -7.060 7.027 1.00 0.00 H new ATOM 162 N SER A 28 25.692 -7.340 8.960 1.00 0.00 N ATOM 163 CA SER A 28 27.015 -7.688 9.444 1.00 0.00 C ATOM 164 C SER A 28 27.328 -9.170 9.278 1.00 0.00 C ATOM 165 O SER A 28 26.533 -10.047 9.609 1.00 0.00 O ATOM 166 CB SER A 28 27.150 -7.274 10.930 1.00 0.00 C ATOM 167 OG SER A 28 28.434 -7.581 11.473 1.00 0.00 O ATOM 0 H SER A 28 25.079 -6.963 9.683 1.00 0.00 H new ATOM 0 HA SER A 28 27.740 -7.143 8.839 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.967 -6.203 11.023 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.382 -7.780 11.515 1.00 0.00 H new ATOM 0 HG SER A 28 28.414 -7.464 12.446 1.00 0.00 H new ATOM 173 N GLY A 29 28.517 -9.461 8.702 1.00 0.00 N ATOM 174 CA GLY A 29 28.996 -10.804 8.412 1.00 0.00 C ATOM 175 C GLY A 29 28.612 -11.300 7.040 1.00 0.00 C ATOM 176 O GLY A 29 29.225 -12.234 6.534 1.00 0.00 O ATOM 0 H GLY A 29 29.178 -8.736 8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 29 30.082 -10.821 8.504 1.00 0.00 H new ATOM 0 HA3 GLY A 29 28.602 -11.491 9.161 1.00 0.00 H new ATOM 180 N GLN A 30 27.588 -10.695 6.396 1.00 0.00 N ATOM 181 CA GLN A 30 27.150 -11.088 5.066 1.00 0.00 C ATOM 182 C GLN A 30 27.991 -10.539 3.933 1.00 0.00 C ATOM 183 O GLN A 30 28.365 -11.276 3.025 1.00 0.00 O ATOM 184 CB GLN A 30 25.687 -10.633 4.825 1.00 0.00 C ATOM 185 CG GLN A 30 24.631 -11.434 5.619 1.00 0.00 C ATOM 186 CD GLN A 30 24.448 -12.840 5.041 1.00 0.00 C ATOM 187 OE1 GLN A 30 24.479 -13.853 5.740 1.00 0.00 O ATOM 188 NE2 GLN A 30 24.233 -12.881 3.699 1.00 0.00 N ATOM 0 H GLN A 30 27.053 -9.924 6.795 1.00 0.00 H new ATOM 0 HA GLN A 30 27.252 -12.173 5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 30 25.599 -9.579 5.088 1.00 0.00 H new ATOM 0 HB3 GLN A 30 25.464 -10.716 3.761 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.935 -11.505 6.663 1.00 0.00 H new ATOM 0 HG3 GLN A 30 23.679 -10.904 5.599 1.00 0.00 H new ATOM 0 HE21 GLN A 30 24.215 -12.016 3.159 1.00 0.00 H new ATOM 0 HE22 GLN A 30 24.089 -13.777 3.233 1.00 0.00 H new ATOM 197 N ASN A 31 28.283 -9.216 3.965 1.00 0.00 N ATOM 198 CA ASN A 31 29.069 -8.483 2.977 1.00 0.00 C ATOM 199 C ASN A 31 28.643 -8.699 1.516 1.00 0.00 C ATOM 200 O ASN A 31 29.474 -8.813 0.618 1.00 0.00 O ATOM 201 CB ASN A 31 30.589 -8.767 3.156 1.00 0.00 C ATOM 202 CG ASN A 31 31.081 -8.337 4.542 1.00 0.00 C ATOM 203 OD1 ASN A 31 31.661 -9.127 5.288 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.855 -7.047 4.909 1.00 0.00 N ATOM 0 H ASN A 31 27.956 -8.615 4.721 1.00 0.00 H new ATOM 0 HA ASN A 31 28.864 -7.432 3.179 1.00 0.00 H new ATOM 0 HB2 ASN A 31 30.781 -9.831 3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 31 31.152 -8.237 2.388 1.00 0.00 H new ATOM 0 HD21 ASN A 31 31.168 -6.714 5.821 1.00 0.00 H new ATOM 0 HD22 ASN A 31 30.372 -6.413 4.272 1.00 0.00 H new ATOM 211 N GLU A 32 27.315 -8.737 1.248 1.00 0.00 N ATOM 212 CA GLU A 32 26.761 -9.091 -0.045 1.00 0.00 C ATOM 213 C GLU A 32 26.397 -7.853 -0.850 1.00 0.00 C ATOM 214 O GLU A 32 25.414 -7.178 -0.557 1.00 0.00 O ATOM 215 CB GLU A 32 25.484 -9.950 0.161 1.00 0.00 C ATOM 216 CG GLU A 32 24.798 -10.504 -1.118 1.00 0.00 C ATOM 217 CD GLU A 32 25.633 -11.542 -1.874 1.00 0.00 C ATOM 218 OE1 GLU A 32 26.657 -11.151 -2.490 1.00 0.00 O ATOM 219 OE2 GLU A 32 25.230 -12.734 -1.853 1.00 0.00 O ATOM 0 H GLU A 32 26.604 -8.517 1.946 1.00 0.00 H new ATOM 0 HA GLU A 32 27.517 -9.652 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 32 25.742 -10.794 0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.755 -9.349 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 32 23.844 -10.953 -0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 32 24.577 -9.673 -1.788 1.00 0.00 H new ATOM 226 N CYS A 33 27.153 -7.556 -1.928 1.00 0.00 N ATOM 227 CA CYS A 33 26.784 -6.568 -2.924 1.00 0.00 C ATOM 228 C CYS A 33 27.111 -7.195 -4.266 1.00 0.00 C ATOM 229 O CYS A 33 27.945 -8.104 -4.285 1.00 0.00 O ATOM 230 CB CYS A 33 27.561 -5.228 -2.795 1.00 0.00 C ATOM 231 SG CYS A 33 27.302 -4.367 -1.215 1.00 0.00 S ATOM 0 H CYS A 33 28.046 -8.010 -2.120 1.00 0.00 H new ATOM 0 HA CYS A 33 25.731 -6.316 -2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 33 28.626 -5.425 -2.919 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.262 -4.568 -3.609 1.00 0.00 H new ATOM 236 N PRO A 34 26.536 -6.801 -5.402 1.00 0.00 N ATOM 237 CA PRO A 34 27.006 -7.231 -6.716 1.00 0.00 C ATOM 238 C PRO A 34 28.362 -6.617 -7.049 1.00 0.00 C ATOM 239 O PRO A 34 28.764 -5.627 -6.437 1.00 0.00 O ATOM 240 CB PRO A 34 25.905 -6.735 -7.670 1.00 0.00 C ATOM 241 CG PRO A 34 25.335 -5.501 -6.968 1.00 0.00 C ATOM 242 CD PRO A 34 25.378 -5.909 -5.496 1.00 0.00 C ATOM 0 HA PRO A 34 27.163 -8.308 -6.781 1.00 0.00 H new ATOM 0 HB2 PRO A 34 26.310 -6.485 -8.651 1.00 0.00 H new ATOM 0 HB3 PRO A 34 25.139 -7.495 -7.825 1.00 0.00 H new ATOM 0 HG2 PRO A 34 25.935 -4.611 -7.160 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.320 -5.279 -7.298 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.490 -5.041 -4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.460 -6.415 -5.196 1.00 0.00 H new ATOM 250 N GLU A 35 29.109 -7.222 -8.002 1.00 0.00 N ATOM 251 CA GLU A 35 30.479 -6.848 -8.310 1.00 0.00 C ATOM 252 C GLU A 35 30.584 -5.418 -8.827 1.00 0.00 C ATOM 253 O GLU A 35 29.841 -4.996 -9.710 1.00 0.00 O ATOM 254 CB GLU A 35 31.074 -7.867 -9.327 1.00 0.00 C ATOM 255 CG GLU A 35 32.583 -7.732 -9.682 1.00 0.00 C ATOM 256 CD GLU A 35 32.915 -6.668 -10.735 1.00 0.00 C ATOM 257 OE1 GLU A 35 32.406 -6.792 -11.878 1.00 0.00 O ATOM 258 OE2 GLU A 35 33.710 -5.751 -10.402 1.00 0.00 O ATOM 0 H GLU A 35 28.759 -7.990 -8.576 1.00 0.00 H new ATOM 0 HA GLU A 35 31.060 -6.880 -7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 35 30.910 -8.870 -8.933 1.00 0.00 H new ATOM 0 HB3 GLU A 35 30.503 -7.791 -10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 35 33.135 -7.502 -8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 35 32.943 -8.697 -10.038 1.00 0.00 H new ATOM 265 N GLY A 36 31.528 -4.634 -8.251 1.00 0.00 N ATOM 266 CA GLY A 36 31.688 -3.214 -8.537 1.00 0.00 C ATOM 267 C GLY A 36 31.074 -2.338 -7.477 1.00 0.00 C ATOM 268 O GLY A 36 31.354 -1.144 -7.424 1.00 0.00 O ATOM 0 H GLY A 36 32.200 -4.988 -7.570 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.749 -2.982 -8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 36 31.231 -2.987 -9.500 1.00 0.00 H new ATOM 272 N CYS A 37 30.238 -2.915 -6.589 1.00 0.00 N ATOM 273 CA CYS A 37 29.620 -2.214 -5.481 1.00 0.00 C ATOM 274 C CYS A 37 30.147 -2.759 -4.164 1.00 0.00 C ATOM 275 O CYS A 37 30.591 -3.902 -4.074 1.00 0.00 O ATOM 276 CB CYS A 37 28.073 -2.334 -5.514 1.00 0.00 C ATOM 277 SG CYS A 37 27.355 -1.567 -7.001 1.00 0.00 S ATOM 0 H CYS A 37 29.979 -3.900 -6.637 1.00 0.00 H new ATOM 0 HA CYS A 37 29.877 -1.159 -5.574 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.791 -3.386 -5.478 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.655 -1.861 -4.625 1.00 0.00 H new ATOM 282 N PHE A 38 30.120 -1.931 -3.098 1.00 0.00 N ATOM 283 CA PHE A 38 30.558 -2.319 -1.766 1.00 0.00 C ATOM 284 C PHE A 38 29.525 -1.785 -0.797 1.00 0.00 C ATOM 285 O PHE A 38 28.839 -0.821 -1.120 1.00 0.00 O ATOM 286 CB PHE A 38 31.973 -1.748 -1.400 1.00 0.00 C ATOM 287 CG PHE A 38 32.003 -0.237 -1.289 1.00 0.00 C ATOM 288 CD1 PHE A 38 32.057 0.571 -2.435 1.00 0.00 C ATOM 289 CD2 PHE A 38 31.912 0.379 -0.025 1.00 0.00 C ATOM 290 CE1 PHE A 38 31.950 1.961 -2.330 1.00 0.00 C ATOM 291 CE2 PHE A 38 31.828 1.772 0.089 1.00 0.00 C ATOM 292 CZ PHE A 38 31.836 2.563 -1.068 1.00 0.00 C ATOM 0 H PHE A 38 29.788 -0.968 -3.152 1.00 0.00 H new ATOM 0 HA PHE A 38 30.648 -3.404 -1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.297 -2.181 -0.454 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.691 -2.063 -2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 38 32.182 0.115 -3.406 1.00 0.00 H new ATOM 0 HD2 PHE A 38 31.907 -0.231 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 38 31.955 2.572 -3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 38 31.757 2.234 1.063 1.00 0.00 H new ATOM 0 HZ PHE A 38 31.754 3.637 -0.988 1.00 0.00 H new ATOM 302 N CYS A 39 29.390 -2.362 0.418 1.00 0.00 N ATOM 303 CA CYS A 39 28.542 -1.780 1.443 1.00 0.00 C ATOM 304 C CYS A 39 29.362 -1.137 2.524 1.00 0.00 C ATOM 305 O CYS A 39 30.432 -1.609 2.910 1.00 0.00 O ATOM 306 CB CYS A 39 27.516 -2.800 2.043 1.00 0.00 C ATOM 307 SG CYS A 39 28.218 -4.386 2.601 1.00 0.00 S ATOM 0 H CYS A 39 29.860 -3.223 0.697 1.00 0.00 H new ATOM 0 HA CYS A 39 27.953 -1.006 0.950 1.00 0.00 H new ATOM 0 HB2 CYS A 39 27.013 -2.328 2.887 1.00 0.00 H new ATOM 0 HB3 CYS A 39 26.753 -3.005 1.292 1.00 0.00 H new ATOM 312 N GLY A 40 28.842 -0.006 3.051 1.00 0.00 N ATOM 313 CA GLY A 40 29.476 0.739 4.126 1.00 0.00 C ATOM 314 C GLY A 40 29.101 0.138 5.441 1.00 0.00 C ATOM 315 O GLY A 40 28.262 0.674 6.159 1.00 0.00 O ATOM 0 H GLY A 40 27.965 0.406 2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.559 0.724 4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 40 29.166 1.783 4.090 1.00 0.00 H new ATOM 319 N LEU A 41 29.700 -1.024 5.769 1.00 0.00 N ATOM 320 CA LEU A 41 29.334 -1.794 6.936 1.00 0.00 C ATOM 321 C LEU A 41 30.241 -1.341 8.068 1.00 0.00 C ATOM 322 O LEU A 41 31.468 -1.391 7.971 1.00 0.00 O ATOM 323 CB LEU A 41 29.498 -3.312 6.643 1.00 0.00 C ATOM 324 CG LEU A 41 28.771 -4.293 7.595 1.00 0.00 C ATOM 325 CD1 LEU A 41 29.262 -4.261 9.047 1.00 0.00 C ATOM 326 CD2 LEU A 41 27.249 -4.110 7.536 1.00 0.00 C ATOM 0 H LEU A 41 30.451 -1.441 5.219 1.00 0.00 H new ATOM 0 HA LEU A 41 28.291 -1.635 7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 41 29.147 -3.501 5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 41 30.562 -3.548 6.661 1.00 0.00 H new ATOM 0 HG LEU A 41 29.030 -5.283 7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 41 28.695 -4.980 9.639 1.00 0.00 H new ATOM 0 HD12 LEU A 41 30.321 -4.519 9.079 1.00 0.00 H new ATOM 0 HD13 LEU A 41 29.119 -3.261 9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 41 26.771 -4.815 8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 41 26.993 -3.092 7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 41 26.900 -4.293 6.520 1.00 0.00 H new ATOM 338 N LEU A 42 29.657 -0.844 9.181 1.00 0.00 N ATOM 339 CA LEU A 42 30.416 -0.075 10.142 1.00 0.00 C ATOM 340 C LEU A 42 30.970 -1.015 11.200 1.00 0.00 C ATOM 341 O LEU A 42 30.255 -1.413 12.121 1.00 0.00 O ATOM 342 CB LEU A 42 29.542 0.974 10.884 1.00 0.00 C ATOM 343 CG LEU A 42 28.778 2.001 10.009 1.00 0.00 C ATOM 344 CD1 LEU A 42 29.602 2.615 8.862 1.00 0.00 C ATOM 345 CD2 LEU A 42 27.452 1.398 9.498 1.00 0.00 C ATOM 0 H LEU A 42 28.673 -0.970 9.418 1.00 0.00 H new ATOM 0 HA LEU A 42 31.201 0.441 9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 42 28.813 0.438 11.492 1.00 0.00 H new ATOM 0 HB3 LEU A 42 30.185 1.526 11.570 1.00 0.00 H new ATOM 0 HG LEU A 42 28.561 2.843 10.667 1.00 0.00 H new ATOM 0 HD11 LEU A 42 28.984 3.320 8.307 1.00 0.00 H new ATOM 0 HD12 LEU A 42 30.466 3.136 9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.940 1.824 8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 42 26.930 2.133 8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.662 0.511 8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.826 1.123 10.347 1.00 0.00 H new ATOM 357 N GLY A 43 32.272 -1.385 11.107 1.00 0.00 N ATOM 358 CA GLY A 43 33.021 -2.023 12.191 1.00 0.00 C ATOM 359 C GLY A 43 32.475 -3.341 12.672 1.00 0.00 C ATOM 360 O GLY A 43 32.569 -3.637 13.859 1.00 0.00 O ATOM 0 H GLY A 43 32.827 -1.242 10.263 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.048 -2.175 11.858 1.00 0.00 H new ATOM 0 HA3 GLY A 43 33.058 -1.336 13.036 1.00 0.00 H new ATOM 364 N GLN A 44 31.854 -4.123 11.757 1.00 0.00 N ATOM 365 CA GLN A 44 31.045 -5.315 11.997 1.00 0.00 C ATOM 366 C GLN A 44 30.002 -5.209 13.112 1.00 0.00 C ATOM 367 O GLN A 44 29.770 -6.146 13.873 1.00 0.00 O ATOM 368 CB GLN A 44 31.904 -6.618 12.124 1.00 0.00 C ATOM 369 CG GLN A 44 32.952 -6.647 13.256 1.00 0.00 C ATOM 370 CD GLN A 44 33.704 -7.980 13.283 1.00 0.00 C ATOM 371 OE1 GLN A 44 34.341 -8.379 12.306 1.00 0.00 O ATOM 372 NE2 GLN A 44 33.643 -8.685 14.443 1.00 0.00 N ATOM 0 H GLN A 44 31.918 -3.911 10.761 1.00 0.00 H new ATOM 0 HA GLN A 44 30.451 -5.390 11.086 1.00 0.00 H new ATOM 0 HB2 GLN A 44 31.227 -7.460 12.265 1.00 0.00 H new ATOM 0 HB3 GLN A 44 32.420 -6.779 11.178 1.00 0.00 H new ATOM 0 HG2 GLN A 44 33.660 -5.830 13.120 1.00 0.00 H new ATOM 0 HG3 GLN A 44 32.459 -6.485 14.215 1.00 0.00 H new ATOM 0 HE21 GLN A 44 33.106 -8.324 15.232 1.00 0.00 H new ATOM 0 HE22 GLN A 44 34.134 -9.575 14.525 1.00 0.00 H new ATOM 381 N ASN A 45 29.275 -4.062 13.164 1.00 0.00 N ATOM 382 CA ASN A 45 28.152 -3.858 14.066 1.00 0.00 C ATOM 383 C ASN A 45 26.834 -4.304 13.435 1.00 0.00 C ATOM 384 O ASN A 45 26.495 -5.484 13.470 1.00 0.00 O ATOM 385 CB ASN A 45 28.058 -2.372 14.521 1.00 0.00 C ATOM 386 CG ASN A 45 29.216 -2.044 15.469 1.00 0.00 C ATOM 387 OD1 ASN A 45 29.174 -2.403 16.648 1.00 0.00 O ATOM 388 ND2 ASN A 45 30.264 -1.355 14.955 1.00 0.00 N ATOM 0 H ASN A 45 29.468 -3.257 12.568 1.00 0.00 H new ATOM 0 HA ASN A 45 28.331 -4.478 14.945 1.00 0.00 H new ATOM 0 HB2 ASN A 45 28.089 -1.714 13.653 1.00 0.00 H new ATOM 0 HB3 ASN A 45 27.106 -2.195 15.021 1.00 0.00 H new ATOM 0 HD21 ASN A 45 31.057 -1.115 15.549 1.00 0.00 H new ATOM 0 HD22 ASN A 45 30.259 -1.077 13.974 1.00 0.00 H new ATOM 395 N LYS A 46 26.027 -3.370 12.877 1.00 0.00 N ATOM 396 CA LYS A 46 24.667 -3.656 12.445 1.00 0.00 C ATOM 397 C LYS A 46 24.550 -3.961 10.955 1.00 0.00 C ATOM 398 O LYS A 46 24.589 -5.118 10.532 1.00 0.00 O ATOM 399 CB LYS A 46 23.717 -2.481 12.816 1.00 0.00 C ATOM 400 CG LYS A 46 23.557 -2.231 14.330 1.00 0.00 C ATOM 401 CD LYS A 46 22.846 -3.375 15.078 1.00 0.00 C ATOM 402 CE LYS A 46 22.591 -3.091 16.562 1.00 0.00 C ATOM 403 NZ LYS A 46 21.588 -2.018 16.715 1.00 0.00 N ATOM 0 H LYS A 46 26.314 -2.404 12.721 1.00 0.00 H new ATOM 0 HA LYS A 46 24.370 -4.560 12.976 1.00 0.00 H new ATOM 0 HB2 LYS A 46 24.090 -1.569 12.349 1.00 0.00 H new ATOM 0 HB3 LYS A 46 22.734 -2.679 12.389 1.00 0.00 H new ATOM 0 HG2 LYS A 46 24.543 -2.079 14.770 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.996 -1.308 14.479 1.00 0.00 H new ATOM 0 HD2 LYS A 46 21.893 -3.577 14.589 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.447 -4.280 14.991 1.00 0.00 H new ATOM 0 HE2 LYS A 46 22.242 -3.997 17.058 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.522 -2.800 17.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 21.325 -1.929 17.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.988 -1.118 16.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.743 -2.250 16.155 1.00 0.00 H new ATOM 417 N LYS A 47 24.346 -2.918 10.120 1.00 0.00 N ATOM 418 CA LYS A 47 23.970 -3.068 8.733 1.00 0.00 C ATOM 419 C LYS A 47 24.480 -1.876 7.954 1.00 0.00 C ATOM 420 O LYS A 47 24.836 -0.853 8.539 1.00 0.00 O ATOM 421 CB LYS A 47 22.432 -3.207 8.578 1.00 0.00 C ATOM 422 CG LYS A 47 21.622 -1.986 9.048 1.00 0.00 C ATOM 423 CD LYS A 47 20.105 -2.219 8.969 1.00 0.00 C ATOM 424 CE LYS A 47 19.301 -1.013 9.455 1.00 0.00 C ATOM 425 NZ LYS A 47 17.861 -1.331 9.432 1.00 0.00 N ATOM 0 H LYS A 47 24.444 -1.946 10.412 1.00 0.00 H new ATOM 0 HA LYS A 47 24.418 -3.981 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 47 22.202 -3.396 7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 47 22.102 -4.082 9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.896 -1.746 10.075 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.886 -1.122 8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.829 -2.445 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.843 -3.091 9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.607 -0.744 10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 47 19.503 -0.150 8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.318 -0.508 9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.573 -1.567 8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.675 -2.142 10.056 1.00 0.00 H new ATOM 439 N GLY A 48 24.560 -1.995 6.610 1.00 0.00 N ATOM 440 CA GLY A 48 25.034 -0.911 5.765 1.00 0.00 C ATOM 441 C GLY A 48 24.518 -1.094 4.368 1.00 0.00 C ATOM 442 O GLY A 48 24.230 -2.211 3.944 1.00 0.00 O ATOM 0 H GLY A 48 24.298 -2.839 6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 48 24.699 0.047 6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 48 26.124 -0.891 5.760 1.00 0.00 H new ATOM 446 N HIS A 49 24.383 0.009 3.603 1.00 0.00 N ATOM 447 CA HIS A 49 23.772 -0.006 2.284 1.00 0.00 C ATOM 448 C HIS A 49 24.867 -0.083 1.226 1.00 0.00 C ATOM 449 O HIS A 49 25.977 0.403 1.449 1.00 0.00 O ATOM 450 CB HIS A 49 22.890 1.254 2.089 1.00 0.00 C ATOM 451 CG HIS A 49 21.959 1.218 0.903 1.00 0.00 C ATOM 452 ND1 HIS A 49 20.856 0.381 0.954 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.934 1.959 -0.238 1.00 0.00 C ATOM 454 CE1 HIS A 49 20.189 0.633 -0.153 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.792 1.583 -0.910 1.00 0.00 N ATOM 0 H HIS A 49 24.701 0.933 3.896 1.00 0.00 H new ATOM 0 HA HIS A 49 23.128 -0.880 2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 49 22.296 1.403 2.991 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.543 2.121 1.990 1.00 0.00 H new ATOM 0 HD2 HIS A 49 22.661 2.693 -0.553 1.00 0.00 H new ATOM 0 HE1 HIS A 49 19.268 0.140 -0.427 1.00 0.00 H new ATOM 0 HE2 HIS A 49 20.463 1.948 -1.804 1.00 0.00 H new ATOM 463 N CYS A 50 24.611 -0.737 0.062 1.00 0.00 N ATOM 464 CA CYS A 50 25.607 -0.887 -0.991 1.00 0.00 C ATOM 465 C CYS A 50 25.707 0.369 -1.849 1.00 0.00 C ATOM 466 O CYS A 50 24.701 0.938 -2.282 1.00 0.00 O ATOM 467 CB CYS A 50 25.344 -2.087 -1.952 1.00 0.00 C ATOM 468 SG CYS A 50 25.367 -3.738 -1.171 1.00 0.00 S ATOM 0 H CYS A 50 23.711 -1.166 -0.155 1.00 0.00 H new ATOM 0 HA CYS A 50 26.536 -1.073 -0.452 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.374 -1.943 -2.428 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.094 -2.068 -2.743 1.00 0.00 H new ATOM 473 N TYR A 51 26.952 0.810 -2.131 1.00 0.00 N ATOM 474 CA TYR A 51 27.244 2.017 -2.879 1.00 0.00 C ATOM 475 C TYR A 51 28.254 1.642 -3.945 1.00 0.00 C ATOM 476 O TYR A 51 28.892 0.589 -3.889 1.00 0.00 O ATOM 477 CB TYR A 51 27.960 3.157 -2.101 1.00 0.00 C ATOM 478 CG TYR A 51 27.315 3.491 -0.789 1.00 0.00 C ATOM 479 CD1 TYR A 51 28.127 3.443 0.354 1.00 0.00 C ATOM 480 CD2 TYR A 51 25.952 3.795 -0.645 1.00 0.00 C ATOM 481 CE1 TYR A 51 27.585 3.637 1.629 1.00 0.00 C ATOM 482 CE2 TYR A 51 25.405 4.006 0.631 1.00 0.00 C ATOM 483 CZ TYR A 51 26.217 3.910 1.769 1.00 0.00 C ATOM 484 OH TYR A 51 25.651 4.079 3.051 1.00 0.00 O ATOM 0 H TYR A 51 27.791 0.313 -1.830 1.00 0.00 H new ATOM 0 HA TYR A 51 26.271 2.382 -3.208 1.00 0.00 H new ATOM 0 HB2 TYR A 51 28.996 2.868 -1.923 1.00 0.00 H new ATOM 0 HB3 TYR A 51 27.981 4.052 -2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 51 29.185 3.254 0.248 1.00 0.00 H new ATOM 0 HD2 TYR A 51 25.322 3.867 -1.519 1.00 0.00 H new ATOM 0 HE1 TYR A 51 28.218 3.577 2.502 1.00 0.00 H new ATOM 0 HE2 TYR A 51 24.356 4.243 0.735 1.00 0.00 H new ATOM 0 HH TYR A 51 24.692 4.263 2.964 1.00 0.00 H new ATOM 494 N LYS A 52 28.460 2.549 -4.916 1.00 0.00 N ATOM 495 CA LYS A 52 29.684 2.591 -5.689 1.00 0.00 C ATOM 496 C LYS A 52 30.325 3.970 -5.601 1.00 0.00 C ATOM 497 O LYS A 52 29.647 4.988 -5.451 1.00 0.00 O ATOM 498 CB LYS A 52 29.437 2.173 -7.162 1.00 0.00 C ATOM 499 CG LYS A 52 28.399 3.040 -7.889 1.00 0.00 C ATOM 500 CD LYS A 52 28.248 2.694 -9.377 1.00 0.00 C ATOM 501 CE LYS A 52 26.905 3.082 -9.996 1.00 0.00 C ATOM 502 NZ LYS A 52 26.781 2.479 -11.338 1.00 0.00 N ATOM 0 H LYS A 52 27.779 3.263 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 52 30.379 1.868 -5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 52 30.380 2.220 -7.706 1.00 0.00 H new ATOM 0 HB3 LYS A 52 29.108 1.134 -7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.433 2.925 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 52 28.682 4.088 -7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 52 29.044 3.189 -9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 52 28.392 1.621 -9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.089 2.743 -9.358 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.826 4.167 -10.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 25.866 2.745 -11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 27.552 2.823 -11.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 26.837 1.443 -11.260 1.00 0.00 H new ATOM 516 N ILE A 53 31.680 4.008 -5.678 1.00 0.00 N ATOM 517 CA ILE A 53 32.498 5.214 -5.734 1.00 0.00 C ATOM 518 C ILE A 53 32.980 5.378 -7.151 1.00 0.00 C ATOM 519 O ILE A 53 33.595 4.484 -7.730 1.00 0.00 O ATOM 520 CB ILE A 53 33.694 5.209 -4.768 1.00 0.00 C ATOM 521 CG1 ILE A 53 33.227 5.250 -3.295 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.687 6.362 -5.059 1.00 0.00 C ATOM 523 CD1 ILE A 53 34.316 4.866 -2.286 1.00 0.00 C ATOM 0 H ILE A 53 32.241 3.156 -5.703 1.00 0.00 H new ATOM 0 HA ILE A 53 31.875 6.050 -5.416 1.00 0.00 H new ATOM 0 HB ILE A 53 34.226 4.272 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 53 32.871 6.254 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 53 32.379 4.575 -3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 53 35.515 6.317 -4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 53 35.072 6.263 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.174 7.318 -4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 53 33.911 4.919 -1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 53 34.657 3.850 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 53 35.156 5.555 -2.377 1.00 0.00 H new ATOM 535 N ILE A 54 32.684 6.553 -7.736 1.00 0.00 N ATOM 536 CA ILE A 54 33.073 6.933 -9.072 1.00 0.00 C ATOM 537 C ILE A 54 33.683 8.320 -9.031 1.00 0.00 C ATOM 538 O ILE A 54 33.257 9.188 -8.269 1.00 0.00 O ATOM 539 CB ILE A 54 31.918 6.835 -10.078 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.653 7.644 -9.669 1.00 0.00 C ATOM 541 CG2 ILE A 54 31.624 5.352 -10.392 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.678 6.938 -8.708 1.00 0.00 C ATOM 0 H ILE A 54 32.147 7.278 -7.259 1.00 0.00 H new ATOM 0 HA ILE A 54 33.820 6.225 -9.431 1.00 0.00 H new ATOM 0 HB ILE A 54 32.241 7.320 -10.999 1.00 0.00 H new ATOM 0 HG12 ILE A 54 30.977 8.576 -9.206 1.00 0.00 H new ATOM 0 HG13 ILE A 54 30.109 7.911 -10.575 1.00 0.00 H new ATOM 0 HG21 ILE A 54 30.803 5.287 -11.107 1.00 0.00 H new ATOM 0 HG22 ILE A 54 32.513 4.887 -10.817 1.00 0.00 H new ATOM 0 HG23 ILE A 54 31.347 4.834 -9.474 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.836 7.597 -8.495 1.00 0.00 H new ATOM 0 HD12 ILE A 54 29.313 6.021 -9.170 1.00 0.00 H new ATOM 0 HD13 ILE A 54 30.194 6.696 -7.779 1.00 0.00 H new ATOM 554 N GLY A 55 34.738 8.564 -9.839 1.00 0.00 N ATOM 555 CA GLY A 55 35.450 9.829 -9.808 1.00 0.00 C ATOM 556 C GLY A 55 36.904 9.585 -10.062 1.00 0.00 C ATOM 557 O GLY A 55 37.281 8.666 -10.783 1.00 0.00 O ATOM 0 H GLY A 55 35.103 7.893 -10.515 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.046 10.505 -10.561 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.314 10.312 -8.840 1.00 0.00 H new ATOM 561 N ASN A 56 37.770 10.420 -9.459 1.00 0.00 N ATOM 562 CA ASN A 56 39.215 10.337 -9.579 1.00 0.00 C ATOM 563 C ASN A 56 39.867 9.157 -8.786 1.00 0.00 C ATOM 564 O ASN A 56 39.643 9.062 -7.551 1.00 0.00 O ATOM 565 CB ASN A 56 39.843 11.718 -9.191 1.00 0.00 C ATOM 566 CG ASN A 56 39.459 12.167 -7.772 1.00 0.00 C ATOM 567 OD1 ASN A 56 38.272 12.332 -7.477 1.00 0.00 O ATOM 568 ND2 ASN A 56 40.466 12.372 -6.885 1.00 0.00 N ATOM 569 OXT ASN A 56 40.622 8.376 -9.424 1.00 0.00 O ATOM 0 H ASN A 56 37.463 11.188 -8.861 1.00 0.00 H new ATOM 0 HA ASN A 56 39.435 10.107 -10.621 1.00 0.00 H new ATOM 0 HB2 ASN A 56 40.928 11.653 -9.266 1.00 0.00 H new ATOM 0 HB3 ASN A 56 39.519 12.474 -9.907 1.00 0.00 H new ATOM 0 HD21 ASN A 56 40.254 12.674 -5.934 1.00 0.00 H new ATOM 0 HD22 ASN A 56 41.434 12.224 -7.170 1.00 0.00 H new TER 576 ASN A 56