USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 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 Set 1.1: A 27 THR OG1 : rot 117:sc= 0.812 USER MOD Set 1.2: A 30 GLN : amide:sc= 0.721 K(o=1.5,f=-1.9) 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= -0.0701 X(o=-0.07,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0567 X(o=-0.057,f=-0.057) USER MOD Single : A 45 ASN : amide:sc= 1.06 K(o=1.1,f=-0.0011) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.129) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0 K(o=0,f=-0.73) 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= -0.188 K(o=-0.19,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.214 12.861 -7.797 1.00 0.00 N ATOM 2 CA PHE A 17 34.427 12.022 -6.829 1.00 0.00 C ATOM 3 C PHE A 17 32.959 12.373 -6.619 1.00 0.00 C ATOM 4 O PHE A 17 32.591 13.432 -6.113 1.00 0.00 O ATOM 5 CB PHE A 17 35.228 12.022 -5.490 1.00 0.00 C ATOM 6 CG PHE A 17 34.560 11.359 -4.308 1.00 0.00 C ATOM 7 CD1 PHE A 17 34.259 9.991 -4.321 1.00 0.00 C ATOM 8 CD2 PHE A 17 34.274 12.108 -3.152 1.00 0.00 C ATOM 9 CE1 PHE A 17 33.670 9.382 -3.205 1.00 0.00 C ATOM 10 CE2 PHE A 17 33.691 11.501 -2.031 1.00 0.00 C ATOM 11 CZ PHE A 17 33.389 10.134 -2.058 1.00 0.00 C ATOM 0 HA PHE A 17 34.335 11.030 -7.272 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.184 11.528 -5.664 1.00 0.00 H new ATOM 0 HB3 PHE A 17 35.447 13.056 -5.223 1.00 0.00 H new ATOM 0 HD1 PHE A 17 34.483 9.401 -5.198 1.00 0.00 H new ATOM 0 HD2 PHE A 17 34.506 13.162 -3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 17 33.432 8.329 -3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 17 33.475 12.086 -1.149 1.00 0.00 H new ATOM 0 HZ PHE A 17 32.941 9.661 -1.197 1.00 0.00 H new ATOM 23 N ASP A 18 32.082 11.408 -6.971 1.00 0.00 N ATOM 24 CA ASP A 18 30.743 11.303 -6.442 1.00 0.00 C ATOM 25 C ASP A 18 30.657 9.947 -5.759 1.00 0.00 C ATOM 26 O ASP A 18 31.379 9.015 -6.121 1.00 0.00 O ATOM 27 CB ASP A 18 29.666 11.413 -7.553 1.00 0.00 C ATOM 28 CG ASP A 18 29.676 12.807 -8.171 1.00 0.00 C ATOM 29 OD1 ASP A 18 29.961 12.907 -9.392 1.00 0.00 O ATOM 30 OD2 ASP A 18 29.340 13.772 -7.436 1.00 0.00 O ATOM 0 H ASP A 18 32.308 10.676 -7.645 1.00 0.00 H new ATOM 0 HA ASP A 18 30.550 12.122 -5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 18 29.853 10.666 -8.324 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.682 11.201 -7.136 1.00 0.00 H new ATOM 35 N VAL A 19 29.756 9.804 -4.764 1.00 0.00 N ATOM 36 CA VAL A 19 29.428 8.520 -4.174 1.00 0.00 C ATOM 37 C VAL A 19 27.923 8.377 -4.278 1.00 0.00 C ATOM 38 O VAL A 19 27.180 9.333 -4.054 1.00 0.00 O ATOM 39 CB VAL A 19 29.944 8.370 -2.735 1.00 0.00 C ATOM 40 CG1 VAL A 19 29.361 9.434 -1.780 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.705 6.937 -2.212 1.00 0.00 C ATOM 0 H VAL A 19 29.243 10.586 -4.357 1.00 0.00 H new ATOM 0 HA VAL A 19 29.929 7.714 -4.710 1.00 0.00 H new ATOM 0 HB VAL A 19 31.020 8.545 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.760 9.280 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.636 10.428 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 19 28.275 9.345 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 19 30.079 6.855 -1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.637 6.718 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 19 30.230 6.225 -2.849 1.00 0.00 H new ATOM 51 N VAL A 20 27.438 7.186 -4.694 1.00 0.00 N ATOM 52 CA VAL A 20 26.016 6.905 -4.846 1.00 0.00 C ATOM 53 C VAL A 20 25.738 5.570 -4.218 1.00 0.00 C ATOM 54 O VAL A 20 26.646 4.771 -3.998 1.00 0.00 O ATOM 55 CB VAL A 20 25.477 6.903 -6.287 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.618 8.309 -6.900 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.188 5.842 -7.151 1.00 0.00 C ATOM 0 H VAL A 20 28.037 6.395 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 20 25.496 7.729 -4.357 1.00 0.00 H new ATOM 0 HB VAL A 20 24.420 6.638 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.235 8.301 -7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.050 9.024 -6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.669 8.598 -6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 20 25.784 5.867 -8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.257 6.054 -7.182 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.027 4.854 -6.720 1.00 0.00 H new ATOM 67 N SER A 21 24.459 5.284 -3.903 1.00 0.00 N ATOM 68 CA SER A 21 24.040 3.966 -3.479 1.00 0.00 C ATOM 69 C SER A 21 23.923 2.996 -4.651 1.00 0.00 C ATOM 70 O SER A 21 23.675 3.383 -5.790 1.00 0.00 O ATOM 71 CB SER A 21 22.708 4.045 -2.682 1.00 0.00 C ATOM 72 OG SER A 21 21.630 4.553 -3.467 1.00 0.00 O ATOM 0 H SER A 21 23.703 5.968 -3.940 1.00 0.00 H new ATOM 0 HA SER A 21 24.814 3.574 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.449 3.052 -2.315 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.848 4.682 -1.808 1.00 0.00 H new ATOM 0 HG SER A 21 20.815 4.582 -2.924 1.00 0.00 H new ATOM 78 N CYS A 22 24.118 1.685 -4.383 1.00 0.00 N ATOM 79 CA CYS A 22 24.096 0.631 -5.391 1.00 0.00 C ATOM 80 C CYS A 22 22.864 -0.245 -5.211 1.00 0.00 C ATOM 81 O CYS A 22 22.767 -1.350 -5.738 1.00 0.00 O ATOM 82 CB CYS A 22 25.419 -0.177 -5.304 1.00 0.00 C ATOM 83 SG CYS A 22 25.751 -1.315 -6.688 1.00 0.00 S ATOM 0 H CYS A 22 24.297 1.337 -3.441 1.00 0.00 H new ATOM 0 HA CYS A 22 24.029 1.062 -6.390 1.00 0.00 H new ATOM 0 HB2 CYS A 22 26.248 0.527 -5.232 1.00 0.00 H new ATOM 0 HB3 CYS A 22 25.409 -0.754 -4.379 1.00 0.00 H new ATOM 88 N ASN A 23 21.875 0.279 -4.451 1.00 0.00 N ATOM 89 CA ASN A 23 20.526 -0.243 -4.273 1.00 0.00 C ATOM 90 C ASN A 23 20.465 -1.672 -3.727 1.00 0.00 C ATOM 91 O ASN A 23 19.586 -2.449 -4.094 1.00 0.00 O ATOM 92 CB ASN A 23 19.720 -0.152 -5.605 1.00 0.00 C ATOM 93 CG ASN A 23 19.659 1.283 -6.140 1.00 0.00 C ATOM 94 OD1 ASN A 23 20.069 1.540 -7.274 1.00 0.00 O ATOM 95 ND2 ASN A 23 19.158 2.246 -5.323 1.00 0.00 N ATOM 0 H ASN A 23 22.022 1.135 -3.916 1.00 0.00 H new ATOM 0 HA ASN A 23 20.073 0.392 -3.512 1.00 0.00 H new ATOM 0 HB2 ASN A 23 20.180 -0.799 -6.352 1.00 0.00 H new ATOM 0 HB3 ASN A 23 18.708 -0.522 -5.443 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.113 3.214 -5.643 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.827 2.001 -4.390 1.00 0.00 H new ATOM 102 N LYS A 24 21.390 -2.040 -2.809 1.00 0.00 N ATOM 103 CA LYS A 24 21.497 -3.394 -2.304 1.00 0.00 C ATOM 104 C LYS A 24 21.745 -3.380 -0.801 1.00 0.00 C ATOM 105 O LYS A 24 22.552 -2.597 -0.295 1.00 0.00 O ATOM 106 CB LYS A 24 22.641 -4.156 -3.019 1.00 0.00 C ATOM 107 CG LYS A 24 22.808 -5.633 -2.622 1.00 0.00 C ATOM 108 CD LYS A 24 21.643 -6.529 -3.075 1.00 0.00 C ATOM 109 CE LYS A 24 21.929 -8.008 -2.829 1.00 0.00 C ATOM 110 NZ LYS A 24 20.805 -8.837 -3.303 1.00 0.00 N ATOM 0 H LYS A 24 22.072 -1.395 -2.410 1.00 0.00 H new ATOM 0 HA LYS A 24 20.557 -3.907 -2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 24 22.470 -4.105 -4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 24 23.579 -3.637 -2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 24 23.735 -6.013 -3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.907 -5.700 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 24 20.737 -6.242 -2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.454 -6.368 -4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.845 -8.298 -3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 24 22.093 -8.181 -1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.016 -9.840 -3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.938 -8.571 -2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.667 -8.685 -4.323 1.00 0.00 H new ATOM 124 N ASN A 25 21.034 -4.271 -0.066 1.00 0.00 N ATOM 125 CA ASN A 25 21.119 -4.476 1.368 1.00 0.00 C ATOM 126 C ASN A 25 22.322 -5.332 1.762 1.00 0.00 C ATOM 127 O ASN A 25 22.539 -6.426 1.248 1.00 0.00 O ATOM 128 CB ASN A 25 19.784 -5.115 1.867 1.00 0.00 C ATOM 129 CG ASN A 25 19.645 -5.362 3.379 1.00 0.00 C ATOM 130 OD1 ASN A 25 18.952 -6.305 3.767 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.311 -4.556 4.242 1.00 0.00 N ATOM 0 H ASN A 25 20.352 -4.892 -0.501 1.00 0.00 H new ATOM 0 HA ASN A 25 21.266 -3.509 1.848 1.00 0.00 H new ATOM 0 HB2 ASN A 25 18.963 -4.470 1.553 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.654 -6.069 1.356 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.247 -4.721 5.247 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.876 -3.784 3.887 1.00 0.00 H new ATOM 138 N CYS A 26 23.123 -4.814 2.719 1.00 0.00 N ATOM 139 CA CYS A 26 24.322 -5.416 3.258 1.00 0.00 C ATOM 140 C CYS A 26 24.169 -5.689 4.746 1.00 0.00 C ATOM 141 O CYS A 26 23.765 -4.821 5.513 1.00 0.00 O ATOM 142 CB CYS A 26 25.491 -4.452 2.954 1.00 0.00 C ATOM 143 SG CYS A 26 27.078 -4.766 3.768 1.00 0.00 S ATOM 0 H CYS A 26 22.922 -3.911 3.149 1.00 0.00 H new ATOM 0 HA CYS A 26 24.517 -6.385 2.798 1.00 0.00 H new ATOM 0 HB2 CYS A 26 25.660 -4.459 1.877 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.172 -3.444 3.220 1.00 0.00 H new ATOM 148 N THR A 27 24.515 -6.915 5.201 1.00 0.00 N ATOM 149 CA THR A 27 24.380 -7.311 6.602 1.00 0.00 C ATOM 150 C THR A 27 25.783 -7.661 7.055 1.00 0.00 C ATOM 151 O THR A 27 26.601 -8.082 6.241 1.00 0.00 O ATOM 152 CB THR A 27 23.483 -8.519 6.834 1.00 0.00 C ATOM 153 OG1 THR A 27 22.264 -8.382 6.124 1.00 0.00 O ATOM 154 CG2 THR A 27 23.079 -8.649 8.316 1.00 0.00 C ATOM 0 H THR A 27 24.893 -7.648 4.601 1.00 0.00 H new ATOM 0 HA THR A 27 23.914 -6.493 7.152 1.00 0.00 H new ATOM 0 HB THR A 27 24.056 -9.385 6.503 1.00 0.00 H new ATOM 0 HG1 THR A 27 22.196 -9.092 5.452 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.439 -9.522 8.443 1.00 0.00 H new ATOM 0 HG22 THR A 27 23.974 -8.762 8.928 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.538 -7.755 8.626 1.00 0.00 H new ATOM 162 N SER A 28 26.116 -7.515 8.357 1.00 0.00 N ATOM 163 CA SER A 28 27.470 -7.574 8.899 1.00 0.00 C ATOM 164 C SER A 28 28.209 -8.881 8.672 1.00 0.00 C ATOM 165 O SER A 28 29.412 -8.874 8.436 1.00 0.00 O ATOM 166 CB SER A 28 27.464 -7.291 10.428 1.00 0.00 C ATOM 167 OG SER A 28 26.743 -8.279 11.167 1.00 0.00 O ATOM 0 H SER A 28 25.414 -7.347 9.077 1.00 0.00 H new ATOM 0 HA SER A 28 28.006 -6.805 8.342 1.00 0.00 H new ATOM 0 HB2 SER A 28 28.491 -7.250 10.790 1.00 0.00 H new ATOM 0 HB3 SER A 28 27.022 -6.312 10.611 1.00 0.00 H new ATOM 0 HG SER A 28 26.770 -8.058 12.121 1.00 0.00 H new ATOM 173 N GLY A 29 27.501 -10.032 8.737 1.00 0.00 N ATOM 174 CA GLY A 29 28.082 -11.344 8.479 1.00 0.00 C ATOM 175 C GLY A 29 27.941 -11.801 7.052 1.00 0.00 C ATOM 176 O GLY A 29 28.368 -12.902 6.719 1.00 0.00 O ATOM 0 H GLY A 29 26.509 -10.063 8.972 1.00 0.00 H new ATOM 0 HA2 GLY A 29 29.140 -11.320 8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 29 27.608 -12.076 9.134 1.00 0.00 H new ATOM 180 N GLN A 30 27.316 -10.984 6.177 1.00 0.00 N ATOM 181 CA GLN A 30 27.140 -11.321 4.773 1.00 0.00 C ATOM 182 C GLN A 30 27.987 -10.430 3.888 1.00 0.00 C ATOM 183 O GLN A 30 28.636 -10.911 2.963 1.00 0.00 O ATOM 184 CB GLN A 30 25.670 -11.144 4.311 1.00 0.00 C ATOM 185 CG GLN A 30 24.663 -12.103 4.982 1.00 0.00 C ATOM 186 CD GLN A 30 23.252 -11.787 4.475 1.00 0.00 C ATOM 187 OE1 GLN A 30 22.814 -10.632 4.523 1.00 0.00 O ATOM 188 NE2 GLN A 30 22.525 -12.819 3.976 1.00 0.00 N ATOM 0 H GLN A 30 26.925 -10.078 6.436 1.00 0.00 H new ATOM 0 HA GLN A 30 27.439 -12.365 4.680 1.00 0.00 H new ATOM 0 HB2 GLN A 30 25.362 -10.118 4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 30 25.623 -11.287 3.231 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.921 -13.137 4.755 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.706 -11.994 6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 30 22.922 -13.758 3.953 1.00 0.00 H new ATOM 0 HE22 GLN A 30 21.582 -12.655 3.624 1.00 0.00 H new ATOM 197 N ASN A 31 27.964 -9.097 4.149 1.00 0.00 N ATOM 198 CA ASN A 31 28.596 -8.049 3.364 1.00 0.00 C ATOM 199 C ASN A 31 28.252 -8.090 1.872 1.00 0.00 C ATOM 200 O ASN A 31 29.112 -7.972 1.002 1.00 0.00 O ATOM 201 CB ASN A 31 30.133 -8.023 3.587 1.00 0.00 C ATOM 202 CG ASN A 31 30.565 -7.684 5.020 1.00 0.00 C ATOM 203 OD1 ASN A 31 31.339 -8.427 5.625 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.114 -6.517 5.555 1.00 0.00 N ATOM 0 H ASN A 31 27.473 -8.723 4.961 1.00 0.00 H new ATOM 0 HA ASN A 31 28.174 -7.115 3.735 1.00 0.00 H new ATOM 0 HB2 ASN A 31 30.542 -8.997 3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.573 -7.294 2.907 1.00 0.00 H new ATOM 0 HD21 ASN A 31 30.417 -6.233 6.487 1.00 0.00 H new ATOM 0 HD22 ASN A 31 29.473 -5.927 5.024 1.00 0.00 H new ATOM 211 N GLU A 32 26.951 -8.280 1.554 1.00 0.00 N ATOM 212 CA GLU A 32 26.496 -8.674 0.235 1.00 0.00 C ATOM 213 C GLU A 32 26.338 -7.489 -0.704 1.00 0.00 C ATOM 214 O GLU A 32 25.469 -6.651 -0.491 1.00 0.00 O ATOM 215 CB GLU A 32 25.126 -9.390 0.367 1.00 0.00 C ATOM 216 CG GLU A 32 24.592 -10.005 -0.952 1.00 0.00 C ATOM 217 CD GLU A 32 23.297 -10.808 -0.782 1.00 0.00 C ATOM 218 OE1 GLU A 32 22.741 -11.223 -1.833 1.00 0.00 O ATOM 219 OE2 GLU A 32 22.870 -11.037 0.379 1.00 0.00 O ATOM 0 H GLU A 32 26.193 -8.158 2.225 1.00 0.00 H new ATOM 0 HA GLU A 32 27.252 -9.336 -0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 32 25.214 -10.181 1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.393 -8.677 0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 32 24.420 -9.204 -1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 32 25.358 -10.655 -1.375 1.00 0.00 H new ATOM 226 N CYS A 33 27.140 -7.419 -1.794 1.00 0.00 N ATOM 227 CA CYS A 33 26.984 -6.425 -2.845 1.00 0.00 C ATOM 228 C CYS A 33 27.091 -7.110 -4.195 1.00 0.00 C ATOM 229 O CYS A 33 27.696 -8.181 -4.264 1.00 0.00 O ATOM 230 CB CYS A 33 28.054 -5.299 -2.797 1.00 0.00 C ATOM 231 SG CYS A 33 28.006 -4.333 -1.261 1.00 0.00 S ATOM 0 H CYS A 33 27.915 -8.063 -1.955 1.00 0.00 H new ATOM 0 HA CYS A 33 26.009 -5.963 -2.692 1.00 0.00 H new ATOM 0 HB2 CYS A 33 29.044 -5.742 -2.909 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.906 -4.630 -3.644 1.00 0.00 H new ATOM 236 N PRO A 34 26.560 -6.567 -5.298 1.00 0.00 N ATOM 237 CA PRO A 34 26.960 -6.968 -6.644 1.00 0.00 C ATOM 238 C PRO A 34 28.373 -6.485 -6.947 1.00 0.00 C ATOM 239 O PRO A 34 28.871 -5.570 -6.289 1.00 0.00 O ATOM 240 CB PRO A 34 25.929 -6.272 -7.549 1.00 0.00 C ATOM 241 CG PRO A 34 25.548 -5.010 -6.772 1.00 0.00 C ATOM 242 CD PRO A 34 25.560 -5.492 -5.323 1.00 0.00 C ATOM 0 HA PRO A 34 26.977 -8.049 -6.783 1.00 0.00 H new ATOM 0 HB2 PRO A 34 26.353 -6.028 -8.523 1.00 0.00 H new ATOM 0 HB3 PRO A 34 25.062 -6.907 -7.729 1.00 0.00 H new ATOM 0 HG2 PRO A 34 26.262 -4.202 -6.936 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.568 -4.634 -7.066 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.827 -4.686 -4.639 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.579 -5.856 -5.018 1.00 0.00 H new ATOM 250 N GLU A 35 29.056 -7.104 -7.936 1.00 0.00 N ATOM 251 CA GLU A 35 30.429 -6.770 -8.274 1.00 0.00 C ATOM 252 C GLU A 35 30.571 -5.353 -8.819 1.00 0.00 C ATOM 253 O GLU A 35 29.770 -4.890 -9.628 1.00 0.00 O ATOM 254 CB GLU A 35 31.019 -7.772 -9.305 1.00 0.00 C ATOM 255 CG GLU A 35 31.195 -9.222 -8.775 1.00 0.00 C ATOM 256 CD GLU A 35 32.293 -9.394 -7.717 1.00 0.00 C ATOM 257 OE1 GLU A 35 32.409 -10.538 -7.205 1.00 0.00 O ATOM 258 OE2 GLU A 35 33.022 -8.411 -7.425 1.00 0.00 O ATOM 0 H GLU A 35 28.658 -7.846 -8.512 1.00 0.00 H new ATOM 0 HA GLU A 35 30.988 -6.835 -7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 35 30.370 -7.796 -10.180 1.00 0.00 H new ATOM 0 HB3 GLU A 35 31.989 -7.401 -9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 35 30.248 -9.556 -8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 35 31.417 -9.877 -9.618 1.00 0.00 H new ATOM 265 N GLY A 36 31.615 -4.628 -8.353 1.00 0.00 N ATOM 266 CA GLY A 36 31.842 -3.226 -8.683 1.00 0.00 C ATOM 267 C GLY A 36 31.338 -2.280 -7.624 1.00 0.00 C ATOM 268 O GLY A 36 31.691 -1.104 -7.625 1.00 0.00 O ATOM 0 H GLY A 36 32.324 -5.017 -7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.909 -3.062 -8.830 1.00 0.00 H new ATOM 0 HA3 GLY A 36 31.351 -2.998 -9.629 1.00 0.00 H new ATOM 272 N CYS A 37 30.517 -2.778 -6.677 1.00 0.00 N ATOM 273 CA CYS A 37 30.002 -2.019 -5.554 1.00 0.00 C ATOM 274 C CYS A 37 30.554 -2.575 -4.258 1.00 0.00 C ATOM 275 O CYS A 37 30.994 -3.721 -4.191 1.00 0.00 O ATOM 276 CB CYS A 37 28.453 -2.021 -5.514 1.00 0.00 C ATOM 277 SG CYS A 37 27.754 -1.163 -6.958 1.00 0.00 S ATOM 0 H CYS A 37 30.194 -3.746 -6.686 1.00 0.00 H new ATOM 0 HA CYS A 37 30.326 -0.986 -5.678 1.00 0.00 H new ATOM 0 HB2 CYS A 37 28.089 -3.048 -5.487 1.00 0.00 H new ATOM 0 HB3 CYS A 37 28.110 -1.537 -4.599 1.00 0.00 H new ATOM 282 N PHE A 38 30.577 -1.748 -3.190 1.00 0.00 N ATOM 283 CA PHE A 38 31.215 -2.109 -1.936 1.00 0.00 C ATOM 284 C PHE A 38 30.306 -1.667 -0.802 1.00 0.00 C ATOM 285 O PHE A 38 29.418 -0.838 -0.993 1.00 0.00 O ATOM 286 CB PHE A 38 32.640 -1.469 -1.792 1.00 0.00 C ATOM 287 CG PHE A 38 32.604 0.030 -1.632 1.00 0.00 C ATOM 288 CD1 PHE A 38 32.357 0.848 -2.740 1.00 0.00 C ATOM 289 CD2 PHE A 38 32.773 0.623 -0.366 1.00 0.00 C ATOM 290 CE1 PHE A 38 32.187 2.222 -2.576 1.00 0.00 C ATOM 291 CE2 PHE A 38 32.652 2.010 -0.208 1.00 0.00 C ATOM 292 CZ PHE A 38 32.343 2.809 -1.314 1.00 0.00 C ATOM 0 H PHE A 38 30.153 -0.820 -3.187 1.00 0.00 H new ATOM 0 HA PHE A 38 31.362 -3.189 -1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 38 33.143 -1.908 -0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 38 33.235 -1.720 -2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 38 32.298 0.413 -3.727 1.00 0.00 H new ATOM 0 HD2 PHE A 38 32.998 0.004 0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 38 31.934 2.837 -3.427 1.00 0.00 H new ATOM 0 HE2 PHE A 38 32.797 2.460 0.763 1.00 0.00 H new ATOM 0 HZ PHE A 38 32.225 3.876 -1.195 1.00 0.00 H new ATOM 302 N CYS A 39 30.493 -2.227 0.410 1.00 0.00 N ATOM 303 CA CYS A 39 29.689 -1.902 1.572 1.00 0.00 C ATOM 304 C CYS A 39 30.540 -1.308 2.665 1.00 0.00 C ATOM 305 O CYS A 39 31.535 -1.890 3.092 1.00 0.00 O ATOM 306 CB CYS A 39 28.953 -3.162 2.092 1.00 0.00 C ATOM 307 SG CYS A 39 27.965 -2.959 3.602 1.00 0.00 S ATOM 0 H CYS A 39 31.216 -2.922 0.596 1.00 0.00 H new ATOM 0 HA CYS A 39 28.947 -1.161 1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 39 28.296 -3.524 1.301 1.00 0.00 H new ATOM 0 HB3 CYS A 39 29.695 -3.940 2.272 1.00 0.00 H new ATOM 312 N GLY A 40 30.124 -0.125 3.170 1.00 0.00 N ATOM 313 CA GLY A 40 30.666 0.457 4.383 1.00 0.00 C ATOM 314 C GLY A 40 29.785 0.145 5.559 1.00 0.00 C ATOM 315 O GLY A 40 29.026 1.003 6.002 1.00 0.00 O ATOM 0 H GLY A 40 29.398 0.443 2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 40 31.670 0.071 4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 40 30.756 1.537 4.266 1.00 0.00 H new ATOM 319 N LEU A 41 29.880 -1.086 6.109 1.00 0.00 N ATOM 320 CA LEU A 41 29.273 -1.439 7.381 1.00 0.00 C ATOM 321 C LEU A 41 30.416 -1.713 8.327 1.00 0.00 C ATOM 322 O LEU A 41 31.287 -2.535 8.042 1.00 0.00 O ATOM 323 CB LEU A 41 28.349 -2.678 7.263 1.00 0.00 C ATOM 324 CG LEU A 41 27.596 -3.125 8.544 1.00 0.00 C ATOM 325 CD1 LEU A 41 28.463 -3.866 9.574 1.00 0.00 C ATOM 326 CD2 LEU A 41 26.858 -1.963 9.228 1.00 0.00 C ATOM 0 H LEU A 41 30.385 -1.855 5.669 1.00 0.00 H new ATOM 0 HA LEU A 41 28.637 -0.629 7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 41 27.609 -2.475 6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 41 28.952 -3.517 6.915 1.00 0.00 H new ATOM 0 HG LEU A 41 26.867 -3.845 8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 41 27.852 -4.139 10.435 1.00 0.00 H new ATOM 0 HD12 LEU A 41 28.875 -4.768 9.121 1.00 0.00 H new ATOM 0 HD13 LEU A 41 29.277 -3.218 9.898 1.00 0.00 H new ATOM 0 HD21 LEU A 41 26.348 -2.330 10.119 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.576 -1.193 9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 41 26.127 -1.541 8.539 1.00 0.00 H new ATOM 338 N LEU A 42 30.470 -0.982 9.461 1.00 0.00 N ATOM 339 CA LEU A 42 31.674 -0.907 10.257 1.00 0.00 C ATOM 340 C LEU A 42 31.379 -1.440 11.637 1.00 0.00 C ATOM 341 O LEU A 42 30.270 -1.285 12.147 1.00 0.00 O ATOM 342 CB LEU A 42 32.189 0.542 10.431 1.00 0.00 C ATOM 343 CG LEU A 42 32.441 1.327 9.119 1.00 0.00 C ATOM 344 CD1 LEU A 42 33.072 0.486 7.989 1.00 0.00 C ATOM 345 CD2 LEU A 42 31.148 2.026 8.651 1.00 0.00 C ATOM 0 H LEU A 42 29.686 -0.443 9.830 1.00 0.00 H new ATOM 0 HA LEU A 42 32.435 -1.488 9.736 1.00 0.00 H new ATOM 0 HB2 LEU A 42 31.466 1.095 11.031 1.00 0.00 H new ATOM 0 HB3 LEU A 42 33.119 0.512 10.999 1.00 0.00 H new ATOM 0 HG LEU A 42 33.189 2.083 9.358 1.00 0.00 H new ATOM 0 HD11 LEU A 42 33.215 1.110 7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 42 34.036 0.098 8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 42 32.412 -0.345 7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 42 31.343 2.573 7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 42 30.374 1.279 8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 42 30.811 2.721 9.420 1.00 0.00 H new ATOM 357 N GLY A 43 32.377 -2.093 12.284 1.00 0.00 N ATOM 358 CA GLY A 43 32.339 -2.390 13.715 1.00 0.00 C ATOM 359 C GLY A 43 31.379 -3.479 14.098 1.00 0.00 C ATOM 360 O GLY A 43 31.061 -3.642 15.271 1.00 0.00 O ATOM 0 H GLY A 43 33.223 -2.422 11.819 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.340 -2.673 14.041 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.073 -1.481 14.255 1.00 0.00 H new ATOM 364 N GLN A 44 30.881 -4.218 13.083 1.00 0.00 N ATOM 365 CA GLN A 44 29.814 -5.196 13.166 1.00 0.00 C ATOM 366 C GLN A 44 28.526 -4.643 13.769 1.00 0.00 C ATOM 367 O GLN A 44 27.867 -5.268 14.597 1.00 0.00 O ATOM 368 CB GLN A 44 30.266 -6.506 13.875 1.00 0.00 C ATOM 369 CG GLN A 44 31.374 -7.292 13.122 1.00 0.00 C ATOM 370 CD GLN A 44 32.789 -6.746 13.358 1.00 0.00 C ATOM 371 OE1 GLN A 44 33.332 -6.828 14.461 1.00 0.00 O ATOM 372 NE2 GLN A 44 33.424 -6.199 12.286 1.00 0.00 N ATOM 0 H GLN A 44 31.246 -4.130 12.135 1.00 0.00 H new ATOM 0 HA GLN A 44 29.577 -5.450 12.133 1.00 0.00 H new ATOM 0 HB2 GLN A 44 30.627 -6.259 14.873 1.00 0.00 H new ATOM 0 HB3 GLN A 44 29.399 -7.154 14.001 1.00 0.00 H new ATOM 0 HG2 GLN A 44 31.341 -8.336 13.433 1.00 0.00 H new ATOM 0 HG3 GLN A 44 31.160 -7.270 12.053 1.00 0.00 H new ATOM 0 HE21 GLN A 44 32.949 -6.145 11.385 1.00 0.00 H new ATOM 0 HE22 GLN A 44 34.375 -5.843 12.383 1.00 0.00 H new ATOM 381 N ASN A 45 28.117 -3.444 13.284 1.00 0.00 N ATOM 382 CA ASN A 45 26.802 -2.873 13.508 1.00 0.00 C ATOM 383 C ASN A 45 25.767 -3.561 12.627 1.00 0.00 C ATOM 384 O ASN A 45 26.078 -4.464 11.858 1.00 0.00 O ATOM 385 CB ASN A 45 26.798 -1.336 13.277 1.00 0.00 C ATOM 386 CG ASN A 45 27.508 -0.638 14.441 1.00 0.00 C ATOM 387 OD1 ASN A 45 26.906 -0.472 15.504 1.00 0.00 O ATOM 388 ND2 ASN A 45 28.786 -0.228 14.258 1.00 0.00 N ATOM 0 H ASN A 45 28.720 -2.849 12.716 1.00 0.00 H new ATOM 0 HA ASN A 45 26.536 -3.043 14.551 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.298 -1.098 12.338 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.773 -0.974 13.193 1.00 0.00 H new ATOM 0 HD21 ASN A 45 29.286 0.237 15.016 1.00 0.00 H new ATOM 0 HD22 ASN A 45 29.249 -0.385 13.362 1.00 0.00 H new ATOM 395 N LYS A 46 24.477 -3.208 12.795 1.00 0.00 N ATOM 396 CA LYS A 46 23.366 -4.091 12.457 1.00 0.00 C ATOM 397 C LYS A 46 23.234 -4.424 10.981 1.00 0.00 C ATOM 398 O LYS A 46 23.126 -5.591 10.604 1.00 0.00 O ATOM 399 CB LYS A 46 22.013 -3.472 12.896 1.00 0.00 C ATOM 400 CG LYS A 46 21.796 -3.364 14.415 1.00 0.00 C ATOM 401 CD LYS A 46 21.596 -4.727 15.103 1.00 0.00 C ATOM 402 CE LYS A 46 21.042 -4.617 16.525 1.00 0.00 C ATOM 403 NZ LYS A 46 19.624 -4.205 16.483 1.00 0.00 N ATOM 0 H LYS A 46 24.187 -2.304 13.168 1.00 0.00 H new ATOM 0 HA LYS A 46 23.598 -5.011 12.993 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.932 -2.475 12.463 1.00 0.00 H new ATOM 0 HB3 LYS A 46 21.206 -4.070 12.473 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.654 -2.862 14.862 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.925 -2.737 14.606 1.00 0.00 H new ATOM 0 HD2 LYS A 46 20.917 -5.332 14.503 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.550 -5.254 15.133 1.00 0.00 H new ATOM 0 HE2 LYS A 46 21.136 -5.575 17.036 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.623 -3.893 17.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.190 -4.359 17.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.563 -3.197 16.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.120 -4.768 15.769 1.00 0.00 H new ATOM 417 N LYS A 47 23.274 -3.398 10.112 1.00 0.00 N ATOM 418 CA LYS A 47 23.194 -3.584 8.689 1.00 0.00 C ATOM 419 C LYS A 47 23.667 -2.311 8.037 1.00 0.00 C ATOM 420 O LYS A 47 23.683 -1.251 8.663 1.00 0.00 O ATOM 421 CB LYS A 47 21.756 -3.963 8.235 1.00 0.00 C ATOM 422 CG LYS A 47 20.675 -2.907 8.521 1.00 0.00 C ATOM 423 CD LYS A 47 19.260 -3.462 8.292 1.00 0.00 C ATOM 424 CE LYS A 47 18.148 -2.443 8.535 1.00 0.00 C ATOM 425 NZ LYS A 47 18.041 -1.545 7.371 1.00 0.00 N ATOM 0 H LYS A 47 23.363 -2.423 10.398 1.00 0.00 H new ATOM 0 HA LYS A 47 23.828 -4.418 8.386 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.772 -4.161 7.163 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.471 -4.893 8.727 1.00 0.00 H new ATOM 0 HG2 LYS A 47 20.768 -2.562 9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 47 20.834 -2.041 7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.186 -3.829 7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.105 -4.318 8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.200 -2.956 8.701 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.360 -1.866 9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.284 -0.851 7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.943 -1.047 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.820 -2.103 6.521 1.00 0.00 H new ATOM 439 N GLY A 48 24.082 -2.402 6.762 1.00 0.00 N ATOM 440 CA GLY A 48 24.505 -1.278 5.953 1.00 0.00 C ATOM 441 C GLY A 48 23.924 -1.407 4.575 1.00 0.00 C ATOM 442 O GLY A 48 23.002 -2.186 4.322 1.00 0.00 O ATOM 0 H GLY A 48 24.129 -3.291 6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 48 24.179 -0.344 6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.593 -1.244 5.899 1.00 0.00 H new ATOM 446 N HIS A 49 24.456 -0.629 3.617 1.00 0.00 N ATOM 447 CA HIS A 49 23.884 -0.593 2.293 1.00 0.00 C ATOM 448 C HIS A 49 25.057 -0.455 1.341 1.00 0.00 C ATOM 449 O HIS A 49 26.091 0.095 1.719 1.00 0.00 O ATOM 450 CB HIS A 49 22.903 0.599 2.186 1.00 0.00 C ATOM 451 CG HIS A 49 21.970 0.535 1.015 1.00 0.00 C ATOM 452 ND1 HIS A 49 20.854 -0.280 1.107 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.998 1.170 -0.184 1.00 0.00 C ATOM 454 CE1 HIS A 49 20.224 -0.114 -0.036 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.871 0.752 -0.856 1.00 0.00 N ATOM 0 H HIS A 49 25.271 -0.030 3.748 1.00 0.00 H new ATOM 0 HA HIS A 49 23.310 -1.489 2.056 1.00 0.00 H new ATOM 0 HB2 HIS A 49 22.313 0.651 3.101 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.479 1.522 2.125 1.00 0.00 H new ATOM 0 HD1 HIS A 49 20.581 -0.877 1.888 1.00 0.00 H new ATOM 0 HD2 HIS A 49 22.749 1.861 -0.538 1.00 0.00 H new ATOM 0 HE1 HIS A 49 19.299 -0.610 -0.292 1.00 0.00 H new ATOM 463 N CYS A 50 24.968 -0.998 0.106 1.00 0.00 N ATOM 464 CA CYS A 50 26.087 -0.959 -0.833 1.00 0.00 C ATOM 465 C CYS A 50 26.193 0.361 -1.580 1.00 0.00 C ATOM 466 O CYS A 50 25.184 0.974 -1.939 1.00 0.00 O ATOM 467 CB CYS A 50 26.012 -2.091 -1.881 1.00 0.00 C ATOM 468 SG CYS A 50 26.078 -3.715 -1.087 1.00 0.00 S ATOM 0 H CYS A 50 24.134 -1.463 -0.252 1.00 0.00 H new ATOM 0 HA CYS A 50 26.970 -1.088 -0.207 1.00 0.00 H new ATOM 0 HB2 CYS A 50 25.090 -2.000 -2.455 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.837 -1.993 -2.587 1.00 0.00 H new ATOM 473 N TYR A 51 27.440 0.823 -1.846 1.00 0.00 N ATOM 474 CA TYR A 51 27.702 2.118 -2.454 1.00 0.00 C ATOM 475 C TYR A 51 28.547 1.895 -3.703 1.00 0.00 C ATOM 476 O TYR A 51 29.233 0.880 -3.841 1.00 0.00 O ATOM 477 CB TYR A 51 28.530 3.109 -1.578 1.00 0.00 C ATOM 478 CG TYR A 51 28.028 3.272 -0.162 1.00 0.00 C ATOM 479 CD1 TYR A 51 28.983 3.354 0.868 1.00 0.00 C ATOM 480 CD2 TYR A 51 26.665 3.249 0.186 1.00 0.00 C ATOM 481 CE1 TYR A 51 28.595 3.376 2.214 1.00 0.00 C ATOM 482 CE2 TYR A 51 26.277 3.235 1.533 1.00 0.00 C ATOM 483 CZ TYR A 51 27.238 3.297 2.548 1.00 0.00 C ATOM 484 OH TYR A 51 26.832 3.247 3.898 1.00 0.00 O ATOM 0 H TYR A 51 28.286 0.292 -1.637 1.00 0.00 H new ATOM 0 HA TYR A 51 26.719 2.555 -2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 51 29.564 2.766 -1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 51 28.533 4.085 -2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 51 30.032 3.401 0.617 1.00 0.00 H new ATOM 0 HD2 TYR A 51 25.913 3.242 -0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 51 29.341 3.454 2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 51 25.229 3.176 1.789 1.00 0.00 H new ATOM 0 HH TYR A 51 25.854 3.195 3.944 1.00 0.00 H new ATOM 494 N LYS A 52 28.526 2.872 -4.634 1.00 0.00 N ATOM 495 CA LYS A 52 29.458 2.973 -5.742 1.00 0.00 C ATOM 496 C LYS A 52 30.232 4.279 -5.587 1.00 0.00 C ATOM 497 O LYS A 52 29.647 5.320 -5.288 1.00 0.00 O ATOM 498 CB LYS A 52 28.741 2.982 -7.119 1.00 0.00 C ATOM 499 CG LYS A 52 29.683 3.014 -8.341 1.00 0.00 C ATOM 500 CD LYS A 52 28.973 3.188 -9.700 1.00 0.00 C ATOM 501 CE LYS A 52 27.895 2.151 -10.001 1.00 0.00 C ATOM 502 NZ LYS A 52 27.381 2.350 -11.370 1.00 0.00 N ATOM 0 H LYS A 52 27.837 3.624 -4.622 1.00 0.00 H new ATOM 0 HA LYS A 52 30.114 2.103 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 52 28.109 2.097 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 52 28.082 3.849 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 52 30.395 3.829 -8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 52 30.258 2.088 -8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 52 28.522 4.180 -9.733 1.00 0.00 H new ATOM 0 HD3 LYS A 52 29.722 3.152 -10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 52 28.305 1.146 -9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 52 27.082 2.238 -9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.647 1.642 -11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 26.974 3.304 -11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 28.159 2.245 -12.052 1.00 0.00 H new ATOM 516 N ILE A 53 31.570 4.247 -5.803 1.00 0.00 N ATOM 517 CA ILE A 53 32.427 5.418 -5.964 1.00 0.00 C ATOM 518 C ILE A 53 32.610 5.670 -7.444 1.00 0.00 C ATOM 519 O ILE A 53 32.973 4.767 -8.197 1.00 0.00 O ATOM 520 CB ILE A 53 33.785 5.270 -5.264 1.00 0.00 C ATOM 521 CG1 ILE A 53 33.617 5.259 -3.729 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.795 6.356 -5.704 1.00 0.00 C ATOM 523 CD1 ILE A 53 34.844 4.743 -2.968 1.00 0.00 C ATOM 0 H ILE A 53 32.087 3.370 -5.870 1.00 0.00 H new ATOM 0 HA ILE A 53 31.941 6.268 -5.485 1.00 0.00 H new ATOM 0 HB ILE A 53 34.198 4.310 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 53 33.393 6.271 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 53 32.757 4.640 -3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 53 35.740 6.208 -5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 53 34.961 6.285 -6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.397 7.342 -5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 53 34.644 4.767 -1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 53 35.058 3.719 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 53 35.703 5.375 -3.192 1.00 0.00 H new ATOM 535 N ILE A 54 32.336 6.915 -7.901 1.00 0.00 N ATOM 536 CA ILE A 54 32.420 7.259 -9.309 1.00 0.00 C ATOM 537 C ILE A 54 33.533 8.289 -9.362 1.00 0.00 C ATOM 538 O ILE A 54 33.472 9.303 -8.662 1.00 0.00 O ATOM 539 CB ILE A 54 31.160 7.902 -9.882 1.00 0.00 C ATOM 540 CG1 ILE A 54 29.873 7.097 -9.597 1.00 0.00 C ATOM 541 CG2 ILE A 54 31.294 7.998 -11.420 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.267 7.462 -8.239 1.00 0.00 C ATOM 0 H ILE A 54 32.055 7.689 -7.299 1.00 0.00 H new ATOM 0 HA ILE A 54 32.577 6.354 -9.896 1.00 0.00 H new ATOM 0 HB ILE A 54 31.073 8.876 -9.401 1.00 0.00 H new ATOM 0 HG12 ILE A 54 29.143 7.287 -10.384 1.00 0.00 H new ATOM 0 HG13 ILE A 54 30.098 6.031 -9.621 1.00 0.00 H new ATOM 0 HG21 ILE A 54 30.397 8.457 -11.835 1.00 0.00 H new ATOM 0 HG22 ILE A 54 32.163 8.606 -11.672 1.00 0.00 H new ATOM 0 HG23 ILE A 54 31.417 6.999 -11.838 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.363 6.875 -8.074 1.00 0.00 H new ATOM 0 HD12 ILE A 54 29.988 7.248 -7.450 1.00 0.00 H new ATOM 0 HD13 ILE A 54 29.018 8.523 -8.225 1.00 0.00 H new ATOM 554 N GLY A 55 34.586 8.076 -10.177 1.00 0.00 N ATOM 555 CA GLY A 55 35.670 9.034 -10.227 1.00 0.00 C ATOM 556 C GLY A 55 36.714 8.592 -11.200 1.00 0.00 C ATOM 557 O GLY A 55 36.542 7.617 -11.926 1.00 0.00 O ATOM 0 H GLY A 55 34.694 7.267 -10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.286 10.012 -10.516 1.00 0.00 H new ATOM 0 HA3 GLY A 55 36.111 9.145 -9.236 1.00 0.00 H new ATOM 561 N ASN A 56 37.840 9.328 -11.236 1.00 0.00 N ATOM 562 CA ASN A 56 38.954 9.059 -12.135 1.00 0.00 C ATOM 563 C ASN A 56 39.970 7.985 -11.618 1.00 0.00 C ATOM 564 O ASN A 56 40.881 7.635 -12.417 1.00 0.00 O ATOM 565 CB ASN A 56 39.658 10.406 -12.503 1.00 0.00 C ATOM 566 CG ASN A 56 40.189 11.134 -11.263 1.00 0.00 C ATOM 567 OD1 ASN A 56 41.034 10.607 -10.539 1.00 0.00 O ATOM 568 ND2 ASN A 56 39.650 12.349 -10.982 1.00 0.00 N ATOM 569 OXT ASN A 56 39.828 7.508 -10.462 1.00 0.00 O ATOM 0 H ASN A 56 37.994 10.134 -10.630 1.00 0.00 H new ATOM 0 HA ASN A 56 38.533 8.605 -13.032 1.00 0.00 H new ATOM 0 HB2 ASN A 56 40.482 10.209 -13.188 1.00 0.00 H new ATOM 0 HB3 ASN A 56 38.954 11.051 -13.028 1.00 0.00 H new ATOM 0 HD21 ASN A 56 39.943 12.856 -10.147 1.00 0.00 H new ATOM 0 HD22 ASN A 56 38.952 12.754 -11.606 1.00 0.00 H new TER 576 ASN A 56