USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 438 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 HIS : no HE2:sc= -0.931 K(o=-3.5,f=-2.1) USER MOD Set 1.2: A 58 SER OG : rot -130:sc= -1.11 USER MOD Set 1.3: A 59 LYS NZ :NH3+ -120:sc= -1.45 (180deg=-0.323) USER MOD Set 2.1: A 47 LYS NZ :NH3+ -131:sc= -2.19 (180deg=-5.5!) USER MOD Set 2.2: A 51 SER OG : rot 80:sc= 1.26 USER MOD Set 3.1: A 9 THR OG1 : rot 97:sc= 1.35 USER MOD Set 3.2: A 11 GLN : amide:sc= -2.18 K(o=-0.82,f=-1.9!) USER MOD Single : A 1 ASN : amide:sc= -0.598 X(o=-0.6,f=-0.37) USER MOD Single : A 1 ASN N :NH3+ 148:sc= 0.697 (180deg=0.269) USER MOD Single : A 8 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.32) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.208 USER MOD Single : A 16 SER OG : rot -50:sc= 0.816 USER MOD Single : A 19 LYS NZ :NH3+ -139:sc= -1.88 (180deg=-4.55!) USER MOD Single : A 20 THR OG1 : rot -170:sc= 0.62 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.8! K(o=-1.8!,f=0.25) USER MOD Single : A 26 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.416) USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= -0.0335 (180deg=-0.379) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -2.82 K(o=-2.8,f=-3.8!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -24:sc= -0.246 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= -0.084 (180deg=-0.456) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 38.252 24.089 -12.455 1.00 0.00 N ATOM 2 CA ASN A 1 38.074 23.667 -11.037 1.00 0.00 C ATOM 3 C ASN A 1 37.714 22.175 -10.981 1.00 0.00 C ATOM 4 O ASN A 1 37.154 21.636 -11.916 1.00 0.00 O ATOM 5 CB ASN A 1 36.945 24.492 -10.380 1.00 0.00 C ATOM 6 CG ASN A 1 36.772 24.071 -8.911 1.00 0.00 C ATOM 7 OD1 ASN A 1 35.691 23.730 -8.473 1.00 0.00 O ATOM 8 ND2 ASN A 1 37.809 24.081 -8.119 1.00 0.00 N ATOM 0 H1 ASN A 1 37.960 25.082 -12.561 1.00 0.00 H new ATOM 0 H2 ASN A 1 39.252 23.991 -12.723 1.00 0.00 H new ATOM 0 H3 ASN A 1 37.668 23.489 -13.072 1.00 0.00 H new ATOM 0 HA ASN A 1 39.006 23.837 -10.497 1.00 0.00 H new ATOM 0 HB2 ASN A 1 37.180 25.555 -10.437 1.00 0.00 H new ATOM 0 HB3 ASN A 1 36.011 24.342 -10.922 1.00 0.00 H new ATOM 0 HD21 ASN A 1 37.708 23.804 -7.143 1.00 0.00 H new ATOM 0 HD22 ASN A 1 38.721 24.365 -8.476 1.00 0.00 H new ATOM 17 N PHE A 2 38.054 21.560 -9.876 1.00 0.00 N ATOM 18 CA PHE A 2 37.773 20.115 -9.664 1.00 0.00 C ATOM 19 C PHE A 2 37.171 20.044 -8.245 1.00 0.00 C ATOM 20 O PHE A 2 36.498 20.961 -7.816 1.00 0.00 O ATOM 21 CB PHE A 2 39.135 19.371 -9.824 1.00 0.00 C ATOM 22 CG PHE A 2 38.970 17.840 -9.816 1.00 0.00 C ATOM 23 CD1 PHE A 2 38.135 17.215 -10.726 1.00 0.00 C ATOM 24 CD2 PHE A 2 39.655 17.064 -8.900 1.00 0.00 C ATOM 25 CE1 PHE A 2 37.990 15.844 -10.718 1.00 0.00 C ATOM 26 CE2 PHE A 2 39.512 15.694 -8.890 1.00 0.00 C ATOM 27 CZ PHE A 2 38.678 15.082 -9.799 1.00 0.00 C ATOM 0 H PHE A 2 38.526 22.015 -9.095 1.00 0.00 H new ATOM 0 HA PHE A 2 37.077 19.650 -10.363 1.00 0.00 H new ATOM 0 HB2 PHE A 2 39.607 19.678 -10.757 1.00 0.00 H new ATOM 0 HB3 PHE A 2 39.805 19.666 -9.016 1.00 0.00 H new ATOM 0 HD1 PHE A 2 37.592 17.806 -11.449 1.00 0.00 H new ATOM 0 HD2 PHE A 2 40.310 17.537 -8.184 1.00 0.00 H new ATOM 0 HE1 PHE A 2 37.336 15.367 -11.433 1.00 0.00 H new ATOM 0 HE2 PHE A 2 40.054 15.100 -8.169 1.00 0.00 H new ATOM 0 HZ PHE A 2 38.564 14.008 -9.792 1.00 0.00 H new ATOM 37 N VAL A 3 37.428 18.963 -7.567 1.00 0.00 N ATOM 38 CA VAL A 3 36.911 18.748 -6.176 1.00 0.00 C ATOM 39 C VAL A 3 38.046 18.233 -5.291 1.00 0.00 C ATOM 40 O VAL A 3 38.865 17.441 -5.715 1.00 0.00 O ATOM 41 CB VAL A 3 35.747 17.716 -6.216 1.00 0.00 C ATOM 42 CG1 VAL A 3 35.188 17.477 -4.790 1.00 0.00 C ATOM 43 CG2 VAL A 3 34.607 18.244 -7.114 1.00 0.00 C ATOM 0 H VAL A 3 37.992 18.192 -7.925 1.00 0.00 H new ATOM 0 HA VAL A 3 36.539 19.687 -5.766 1.00 0.00 H new ATOM 0 HB VAL A 3 36.133 16.779 -6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 3 34.375 16.753 -4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 3 35.981 17.093 -4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 3 34.815 18.417 -4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 3 33.796 17.517 -7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 3 34.237 19.188 -6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 3 34.983 18.401 -8.125 1.00 0.00 H new ATOM 53 N CYS A 4 38.032 18.718 -4.076 1.00 0.00 N ATOM 54 CA CYS A 4 39.058 18.342 -3.059 1.00 0.00 C ATOM 55 C CYS A 4 38.431 17.982 -1.694 1.00 0.00 C ATOM 56 O CYS A 4 37.238 18.118 -1.499 1.00 0.00 O ATOM 57 CB CYS A 4 39.994 19.502 -2.842 1.00 0.00 C ATOM 58 SG CYS A 4 41.057 20.157 -4.145 1.00 0.00 S ATOM 0 H CYS A 4 37.331 19.378 -3.738 1.00 0.00 H new ATOM 0 HA CYS A 4 39.582 17.467 -3.443 1.00 0.00 H new ATOM 0 HB2 CYS A 4 39.382 20.334 -2.493 1.00 0.00 H new ATOM 0 HB3 CYS A 4 40.650 19.222 -2.018 1.00 0.00 H new ATOM 63 N PRO A 5 39.273 17.528 -0.790 1.00 0.00 N ATOM 64 CA PRO A 5 39.102 17.697 0.660 1.00 0.00 C ATOM 65 C PRO A 5 39.721 19.024 1.172 1.00 0.00 C ATOM 66 O PRO A 5 40.374 19.712 0.411 1.00 0.00 O ATOM 67 CB PRO A 5 39.871 16.479 1.245 1.00 0.00 C ATOM 68 CG PRO A 5 40.439 15.747 0.059 1.00 0.00 C ATOM 69 CD PRO A 5 40.508 16.773 -1.027 1.00 0.00 C ATOM 0 HA PRO A 5 38.053 17.742 0.951 1.00 0.00 H new ATOM 0 HB2 PRO A 5 40.663 16.804 1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 5 39.205 15.835 1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 5 41.425 15.339 0.281 1.00 0.00 H new ATOM 0 HG3 PRO A 5 39.805 14.908 -0.229 1.00 0.00 H new ATOM 0 HD2 PRO A 5 41.395 17.400 -0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 5 40.529 16.321 -2.019 1.00 0.00 H new ATOM 77 N PRO A 6 39.504 19.335 2.430 1.00 0.00 N ATOM 78 CA PRO A 6 39.978 20.571 3.100 1.00 0.00 C ATOM 79 C PRO A 6 41.421 21.024 2.772 1.00 0.00 C ATOM 80 O PRO A 6 41.602 22.080 2.196 1.00 0.00 O ATOM 81 CB PRO A 6 39.858 20.209 4.610 1.00 0.00 C ATOM 82 CG PRO A 6 39.554 18.745 4.627 1.00 0.00 C ATOM 83 CD PRO A 6 38.750 18.530 3.411 1.00 0.00 C ATOM 0 HA PRO A 6 39.387 21.423 2.763 1.00 0.00 H new ATOM 0 HB2 PRO A 6 40.783 20.428 5.144 1.00 0.00 H new ATOM 0 HB3 PRO A 6 39.067 20.783 5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 6 40.466 18.148 4.612 1.00 0.00 H new ATOM 0 HG3 PRO A 6 39.003 18.463 5.524 1.00 0.00 H new ATOM 0 HD2 PRO A 6 38.700 17.478 3.130 1.00 0.00 H new ATOM 0 HD3 PRO A 6 37.724 18.878 3.528 1.00 0.00 H new ATOM 91 N GLY A 7 42.379 20.212 3.147 1.00 0.00 N ATOM 92 CA GLY A 7 43.825 20.525 2.904 1.00 0.00 C ATOM 93 C GLY A 7 44.313 20.466 1.450 1.00 0.00 C ATOM 94 O GLY A 7 45.502 20.361 1.223 1.00 0.00 O ATOM 0 H GLY A 7 42.217 19.324 3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 7 44.025 21.525 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 7 44.426 19.831 3.492 1.00 0.00 H new ATOM 98 N GLN A 8 43.412 20.536 0.505 1.00 0.00 N ATOM 99 CA GLN A 8 43.806 20.486 -0.941 1.00 0.00 C ATOM 100 C GLN A 8 42.924 21.438 -1.754 1.00 0.00 C ATOM 101 O GLN A 8 41.793 21.705 -1.395 1.00 0.00 O ATOM 102 CB GLN A 8 43.627 19.061 -1.481 1.00 0.00 C ATOM 103 CG GLN A 8 44.498 18.049 -0.711 1.00 0.00 C ATOM 104 CD GLN A 8 44.261 16.628 -1.246 1.00 0.00 C ATOM 105 OE1 GLN A 8 44.060 16.408 -2.425 1.00 0.00 O ATOM 106 NE2 GLN A 8 44.277 15.634 -0.401 1.00 0.00 N ATOM 0 H GLN A 8 42.410 20.627 0.672 1.00 0.00 H new ATOM 0 HA GLN A 8 44.850 20.785 -1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 8 42.579 18.772 -1.405 1.00 0.00 H new ATOM 0 HB3 GLN A 8 43.889 19.037 -2.539 1.00 0.00 H new ATOM 0 HG2 GLN A 8 45.551 18.313 -0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 8 44.261 18.089 0.352 1.00 0.00 H new ATOM 0 HE21 GLN A 8 44.445 15.809 0.590 1.00 0.00 H new ATOM 0 HE22 GLN A 8 44.122 14.681 -0.731 1.00 0.00 H new ATOM 115 N THR A 9 43.492 21.916 -2.831 1.00 0.00 N ATOM 116 CA THR A 9 42.792 22.861 -3.757 1.00 0.00 C ATOM 117 C THR A 9 43.047 22.490 -5.229 1.00 0.00 C ATOM 118 O THR A 9 43.757 21.551 -5.526 1.00 0.00 O ATOM 119 CB THR A 9 43.299 24.294 -3.448 1.00 0.00 C ATOM 120 OG1 THR A 9 44.716 24.248 -3.550 1.00 0.00 O ATOM 121 CG2 THR A 9 42.998 24.691 -2.000 1.00 0.00 C ATOM 0 H THR A 9 44.443 21.683 -3.117 1.00 0.00 H new ATOM 0 HA THR A 9 41.715 22.803 -3.602 1.00 0.00 H new ATOM 0 HB THR A 9 42.821 24.998 -4.129 1.00 0.00 H new ATOM 0 HG1 THR A 9 44.990 24.561 -4.437 1.00 0.00 H new ATOM 0 HG21 THR A 9 43.366 25.700 -1.815 1.00 0.00 H new ATOM 0 HG22 THR A 9 41.922 24.660 -1.831 1.00 0.00 H new ATOM 0 HG23 THR A 9 43.492 23.995 -1.322 1.00 0.00 H new ATOM 129 N PHE A 10 42.442 23.254 -6.101 1.00 0.00 N ATOM 130 CA PHE A 10 42.578 23.035 -7.577 1.00 0.00 C ATOM 131 C PHE A 10 43.871 23.685 -8.101 1.00 0.00 C ATOM 132 O PHE A 10 44.041 24.883 -7.984 1.00 0.00 O ATOM 133 CB PHE A 10 41.339 23.644 -8.241 1.00 0.00 C ATOM 134 CG PHE A 10 41.389 23.480 -9.766 1.00 0.00 C ATOM 135 CD1 PHE A 10 41.162 22.247 -10.347 1.00 0.00 C ATOM 136 CD2 PHE A 10 41.649 24.570 -10.577 1.00 0.00 C ATOM 137 CE1 PHE A 10 41.190 22.105 -11.717 1.00 0.00 C ATOM 138 CE2 PHE A 10 41.678 24.429 -11.948 1.00 0.00 C ATOM 139 CZ PHE A 10 41.448 23.197 -12.517 1.00 0.00 C ATOM 0 H PHE A 10 41.844 24.041 -5.847 1.00 0.00 H new ATOM 0 HA PHE A 10 42.643 21.972 -7.809 1.00 0.00 H new ATOM 0 HB2 PHE A 10 40.441 23.165 -7.850 1.00 0.00 H new ATOM 0 HB3 PHE A 10 41.271 24.702 -7.988 1.00 0.00 H new ATOM 0 HD1 PHE A 10 40.961 21.389 -9.723 1.00 0.00 H new ATOM 0 HD2 PHE A 10 41.830 25.538 -10.133 1.00 0.00 H new ATOM 0 HE1 PHE A 10 41.010 21.138 -12.164 1.00 0.00 H new ATOM 0 HE2 PHE A 10 41.881 25.285 -12.575 1.00 0.00 H new ATOM 0 HZ PHE A 10 41.470 23.086 -13.591 1.00 0.00 H new ATOM 149 N GLN A 11 44.731 22.875 -8.674 1.00 0.00 N ATOM 150 CA GLN A 11 46.036 23.348 -9.230 1.00 0.00 C ATOM 151 C GLN A 11 46.071 22.959 -10.701 1.00 0.00 C ATOM 152 O GLN A 11 45.664 21.870 -11.059 1.00 0.00 O ATOM 153 CB GLN A 11 47.226 22.678 -8.466 1.00 0.00 C ATOM 154 CG GLN A 11 47.565 23.353 -7.095 1.00 0.00 C ATOM 155 CD GLN A 11 46.416 23.417 -6.079 1.00 0.00 C ATOM 156 OE1 GLN A 11 45.662 24.366 -6.046 1.00 0.00 O ATOM 157 NE2 GLN A 11 46.239 22.449 -5.223 1.00 0.00 N ATOM 0 H GLN A 11 44.574 21.873 -8.781 1.00 0.00 H new ATOM 0 HA GLN A 11 46.132 24.428 -9.115 1.00 0.00 H new ATOM 0 HB2 GLN A 11 46.988 21.628 -8.293 1.00 0.00 H new ATOM 0 HB3 GLN A 11 48.112 22.704 -9.101 1.00 0.00 H new ATOM 0 HG2 GLN A 11 48.396 22.813 -6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 11 47.912 24.368 -7.287 1.00 0.00 H new ATOM 0 HE21 GLN A 11 46.861 21.640 -5.232 1.00 0.00 H new ATOM 0 HE22 GLN A 11 45.479 22.501 -4.545 1.00 0.00 H new ATOM 166 N THR A 12 46.561 23.866 -11.507 1.00 0.00 N ATOM 167 CA THR A 12 46.638 23.602 -12.970 1.00 0.00 C ATOM 168 C THR A 12 47.836 22.724 -13.365 1.00 0.00 C ATOM 169 O THR A 12 47.665 21.839 -14.182 1.00 0.00 O ATOM 170 CB THR A 12 46.685 24.979 -13.700 1.00 0.00 C ATOM 171 OG1 THR A 12 46.745 24.665 -15.085 1.00 0.00 O ATOM 172 CG2 THR A 12 47.979 25.774 -13.431 1.00 0.00 C ATOM 0 H THR A 12 46.911 24.778 -11.212 1.00 0.00 H new ATOM 0 HA THR A 12 45.757 23.034 -13.269 1.00 0.00 H new ATOM 0 HB THR A 12 45.831 25.569 -13.367 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.776 25.494 -15.607 1.00 0.00 H new ATOM 0 HG21 THR A 12 47.943 26.721 -13.970 1.00 0.00 H new ATOM 0 HG22 THR A 12 48.071 25.968 -12.362 1.00 0.00 H new ATOM 0 HG23 THR A 12 48.838 25.196 -13.770 1.00 0.00 H new ATOM 180 N CYS A 13 48.995 22.976 -12.793 1.00 0.00 N ATOM 181 CA CYS A 13 50.189 22.146 -13.151 1.00 0.00 C ATOM 182 C CYS A 13 50.804 21.185 -12.126 1.00 0.00 C ATOM 183 O CYS A 13 51.645 21.545 -11.325 1.00 0.00 O ATOM 184 CB CYS A 13 51.317 23.072 -13.667 1.00 0.00 C ATOM 185 SG CYS A 13 51.101 23.664 -15.361 1.00 0.00 S ATOM 0 H CYS A 13 49.162 23.710 -12.104 1.00 0.00 H new ATOM 0 HA CYS A 13 49.761 21.469 -13.890 1.00 0.00 H new ATOM 0 HB2 CYS A 13 51.392 23.933 -13.003 1.00 0.00 H new ATOM 0 HB3 CYS A 13 52.264 22.537 -13.603 1.00 0.00 H new ATOM 190 N ALA A 14 50.333 19.964 -12.206 1.00 0.00 N ATOM 191 CA ALA A 14 50.815 18.875 -11.303 1.00 0.00 C ATOM 192 C ALA A 14 50.451 17.517 -11.901 1.00 0.00 C ATOM 193 O ALA A 14 49.325 17.333 -12.311 1.00 0.00 O ATOM 194 CB ALA A 14 50.162 19.034 -9.926 1.00 0.00 C ATOM 0 H ALA A 14 49.620 19.672 -12.874 1.00 0.00 H new ATOM 0 HA ALA A 14 51.898 18.937 -11.197 1.00 0.00 H new ATOM 0 HB1 ALA A 14 50.511 18.241 -9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 14 50.431 20.003 -9.505 1.00 0.00 H new ATOM 0 HB3 ALA A 14 49.079 18.971 -10.028 1.00 0.00 H new ATOM 200 N SER A 15 51.396 16.605 -11.943 1.00 0.00 N ATOM 201 CA SER A 15 51.106 15.252 -12.515 1.00 0.00 C ATOM 202 C SER A 15 50.288 14.471 -11.466 1.00 0.00 C ATOM 203 O SER A 15 49.372 15.009 -10.873 1.00 0.00 O ATOM 204 CB SER A 15 52.447 14.529 -12.815 1.00 0.00 C ATOM 205 OG SER A 15 52.078 13.398 -13.594 1.00 0.00 O ATOM 0 H SER A 15 52.350 16.739 -11.608 1.00 0.00 H new ATOM 0 HA SER A 15 50.542 15.325 -13.445 1.00 0.00 H new ATOM 0 HB2 SER A 15 53.134 15.178 -13.358 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.951 14.230 -11.896 1.00 0.00 H new ATOM 0 HG SER A 15 52.880 12.886 -13.827 1.00 0.00 H new ATOM 211 N SER A 16 50.638 13.228 -11.271 1.00 0.00 N ATOM 212 CA SER A 16 49.939 12.364 -10.289 1.00 0.00 C ATOM 213 C SER A 16 51.009 11.925 -9.271 1.00 0.00 C ATOM 214 O SER A 16 50.907 10.855 -8.701 1.00 0.00 O ATOM 215 CB SER A 16 49.335 11.170 -11.059 1.00 0.00 C ATOM 216 OG SER A 16 48.630 10.421 -10.080 1.00 0.00 O ATOM 0 H SER A 16 51.401 12.768 -11.768 1.00 0.00 H new ATOM 0 HA SER A 16 49.125 12.864 -9.763 1.00 0.00 H new ATOM 0 HB2 SER A 16 48.669 11.508 -11.853 1.00 0.00 H new ATOM 0 HB3 SER A 16 50.113 10.570 -11.530 1.00 0.00 H new ATOM 0 HG SER A 16 49.215 10.255 -9.311 1.00 0.00 H new ATOM 222 N CYS A 17 52.008 12.765 -9.079 1.00 0.00 N ATOM 223 CA CYS A 17 53.097 12.415 -8.098 1.00 0.00 C ATOM 224 C CYS A 17 52.988 13.304 -6.829 1.00 0.00 C ATOM 225 O CYS A 17 53.765 14.223 -6.656 1.00 0.00 O ATOM 226 CB CYS A 17 54.493 12.623 -8.764 1.00 0.00 C ATOM 227 SG CYS A 17 55.187 14.276 -9.045 1.00 0.00 S ATOM 0 H CYS A 17 52.116 13.663 -9.550 1.00 0.00 H new ATOM 0 HA CYS A 17 52.984 11.371 -7.808 1.00 0.00 H new ATOM 0 HB2 CYS A 17 55.215 12.078 -8.157 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.455 12.129 -9.735 1.00 0.00 H new ATOM 232 N PRO A 18 52.033 13.019 -5.966 1.00 0.00 N ATOM 233 CA PRO A 18 51.716 13.913 -4.836 1.00 0.00 C ATOM 234 C PRO A 18 52.866 14.126 -3.851 1.00 0.00 C ATOM 235 O PRO A 18 53.582 13.196 -3.535 1.00 0.00 O ATOM 236 CB PRO A 18 50.561 13.217 -4.108 1.00 0.00 C ATOM 237 CG PRO A 18 50.617 11.805 -4.549 1.00 0.00 C ATOM 238 CD PRO A 18 51.148 11.836 -5.949 1.00 0.00 C ATOM 0 HA PRO A 18 51.486 14.908 -5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 18 50.673 13.296 -3.027 1.00 0.00 H new ATOM 0 HB3 PRO A 18 49.604 13.671 -4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 18 51.264 11.217 -3.898 1.00 0.00 H new ATOM 0 HG3 PRO A 18 49.629 11.345 -4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 18 51.695 10.924 -6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 18 50.344 11.928 -6.679 1.00 0.00 H new ATOM 246 N LYS A 19 52.985 15.354 -3.413 1.00 0.00 N ATOM 247 CA LYS A 19 54.053 15.711 -2.440 1.00 0.00 C ATOM 248 C LYS A 19 53.460 15.353 -1.087 1.00 0.00 C ATOM 249 O LYS A 19 52.259 15.355 -0.896 1.00 0.00 O ATOM 250 CB LYS A 19 54.383 17.225 -2.505 1.00 0.00 C ATOM 251 CG LYS A 19 53.133 18.086 -2.295 1.00 0.00 C ATOM 252 CD LYS A 19 53.548 19.567 -2.222 1.00 0.00 C ATOM 253 CE LYS A 19 52.295 20.421 -2.127 1.00 0.00 C ATOM 254 NZ LYS A 19 52.654 21.865 -2.068 1.00 0.00 N ATOM 0 H LYS A 19 52.382 16.128 -3.692 1.00 0.00 H new ATOM 0 HA LYS A 19 54.988 15.188 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 19 55.125 17.469 -1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 19 54.828 17.459 -3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 19 52.429 17.933 -3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 19 52.624 17.792 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 19 54.188 19.738 -1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 19 54.126 19.841 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 19 51.654 20.234 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 19 51.725 20.145 -1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 52.047 22.346 -1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 53.650 21.964 -1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 52.517 22.295 -3.005 1.00 0.00 H new ATOM 268 N THR A 20 54.348 15.059 -0.191 1.00 0.00 N ATOM 269 CA THR A 20 53.950 14.671 1.193 1.00 0.00 C ATOM 270 C THR A 20 55.051 15.046 2.177 1.00 0.00 C ATOM 271 O THR A 20 56.058 15.600 1.782 1.00 0.00 O ATOM 272 CB THR A 20 53.727 13.144 1.262 1.00 0.00 C ATOM 273 OG1 THR A 20 54.974 12.557 0.919 1.00 0.00 O ATOM 274 CG2 THR A 20 52.796 12.583 0.171 1.00 0.00 C ATOM 0 H THR A 20 55.354 15.070 -0.357 1.00 0.00 H new ATOM 0 HA THR A 20 53.030 15.196 1.451 1.00 0.00 H new ATOM 0 HB THR A 20 53.313 12.935 2.248 1.00 0.00 H new ATOM 0 HG1 THR A 20 54.857 11.592 0.791 1.00 0.00 H new ATOM 0 HG21 THR A 20 52.697 11.505 0.296 1.00 0.00 H new ATOM 0 HG22 THR A 20 51.815 13.050 0.255 1.00 0.00 H new ATOM 0 HG23 THR A 20 53.217 12.797 -0.812 1.00 0.00 H new ATOM 282 N CYS A 21 54.829 14.736 3.435 1.00 0.00 N ATOM 283 CA CYS A 21 55.863 15.053 4.467 1.00 0.00 C ATOM 284 C CYS A 21 57.153 14.294 4.107 1.00 0.00 C ATOM 285 O CYS A 21 58.233 14.615 4.563 1.00 0.00 O ATOM 286 CB CYS A 21 55.388 14.606 5.848 1.00 0.00 C ATOM 287 SG CYS A 21 54.000 15.461 6.635 1.00 0.00 S ATOM 0 H CYS A 21 53.986 14.282 3.786 1.00 0.00 H new ATOM 0 HA CYS A 21 56.041 16.128 4.489 1.00 0.00 H new ATOM 0 HB2 CYS A 21 55.123 13.551 5.776 1.00 0.00 H new ATOM 0 HB3 CYS A 21 56.240 14.675 6.524 1.00 0.00 H new ATOM 292 N GLU A 22 56.962 13.293 3.286 1.00 0.00 N ATOM 293 CA GLU A 22 58.084 12.431 2.804 1.00 0.00 C ATOM 294 C GLU A 22 58.700 13.188 1.614 1.00 0.00 C ATOM 295 O GLU A 22 59.865 13.533 1.565 1.00 0.00 O ATOM 296 CB GLU A 22 57.593 11.084 2.227 1.00 0.00 C ATOM 297 CG GLU A 22 56.407 10.561 3.009 1.00 0.00 C ATOM 298 CD GLU A 22 55.943 9.215 2.431 1.00 0.00 C ATOM 299 OE1 GLU A 22 55.409 9.261 1.334 1.00 0.00 O ATOM 300 OE2 GLU A 22 56.142 8.221 3.110 1.00 0.00 O ATOM 0 H GLU A 22 56.047 13.030 2.919 1.00 0.00 H new ATOM 0 HA GLU A 22 58.759 12.232 3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 22 57.316 11.212 1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 22 58.403 10.355 2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 22 56.678 10.441 4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 22 55.591 11.282 2.971 1.00 0.00 H new ATOM 307 N THR A 23 57.792 13.394 0.697 1.00 0.00 N ATOM 308 CA THR A 23 58.003 14.073 -0.601 1.00 0.00 C ATOM 309 C THR A 23 57.806 15.600 -0.532 1.00 0.00 C ATOM 310 O THR A 23 57.117 16.187 -1.341 1.00 0.00 O ATOM 311 CB THR A 23 57.016 13.352 -1.528 1.00 0.00 C ATOM 312 OG1 THR A 23 57.327 11.970 -1.394 1.00 0.00 O ATOM 313 CG2 THR A 23 57.305 13.582 -2.978 1.00 0.00 C ATOM 0 H THR A 23 56.828 13.085 0.820 1.00 0.00 H new ATOM 0 HA THR A 23 59.031 14.003 -0.958 1.00 0.00 H new ATOM 0 HB THR A 23 56.010 13.683 -1.270 1.00 0.00 H new ATOM 0 HG1 THR A 23 56.728 11.443 -1.963 1.00 0.00 H new ATOM 0 HG21 THR A 23 56.574 13.047 -3.584 1.00 0.00 H new ATOM 0 HG22 THR A 23 57.246 14.648 -3.196 1.00 0.00 H new ATOM 0 HG23 THR A 23 58.306 13.218 -3.212 1.00 0.00 H new ATOM 321 N ARG A 24 58.431 16.195 0.448 1.00 0.00 N ATOM 322 CA ARG A 24 58.341 17.681 0.651 1.00 0.00 C ATOM 323 C ARG A 24 59.085 18.476 -0.420 1.00 0.00 C ATOM 324 O ARG A 24 58.897 19.668 -0.568 1.00 0.00 O ATOM 325 CB ARG A 24 58.936 18.038 2.010 1.00 0.00 C ATOM 326 CG ARG A 24 58.086 17.384 3.107 1.00 0.00 C ATOM 327 CD ARG A 24 58.620 17.690 4.511 1.00 0.00 C ATOM 328 NE ARG A 24 59.968 17.062 4.654 1.00 0.00 N ATOM 329 CZ ARG A 24 60.909 17.589 5.397 1.00 0.00 C ATOM 330 NH1 ARG A 24 60.708 18.701 6.054 1.00 0.00 N ATOM 331 NH2 ARG A 24 62.054 16.966 5.458 1.00 0.00 N ATOM 0 H ARG A 24 59.012 15.710 1.132 1.00 0.00 H new ATOM 0 HA ARG A 24 57.285 17.945 0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 24 59.967 17.691 2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 24 58.955 19.120 2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 24 57.058 17.736 3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 24 58.066 16.305 2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 24 58.686 18.767 4.664 1.00 0.00 H new ATOM 0 HD3 ARG A 24 57.939 17.301 5.268 1.00 0.00 H new ATOM 0 HE ARG A 24 60.162 16.193 4.156 1.00 0.00 H new ATOM 0 HH11 ARG A 24 59.806 19.173 5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 24 61.453 19.096 6.628 1.00 0.00 H new ATOM 0 HH21 ARG A 24 62.192 16.100 4.937 1.00 0.00 H new ATOM 0 HH22 ARG A 24 62.811 17.345 6.026 1.00 0.00 H new ATOM 345 N ASN A 25 59.907 17.756 -1.127 1.00 0.00 N ATOM 346 CA ASN A 25 60.740 18.325 -2.219 1.00 0.00 C ATOM 347 C ASN A 25 60.009 19.231 -3.234 1.00 0.00 C ATOM 348 O ASN A 25 60.646 20.060 -3.856 1.00 0.00 O ATOM 349 CB ASN A 25 61.398 17.144 -2.937 1.00 0.00 C ATOM 350 CG ASN A 25 62.241 16.333 -1.943 1.00 0.00 C ATOM 351 OD1 ASN A 25 63.441 16.498 -1.844 1.00 0.00 O ATOM 352 ND2 ASN A 25 61.649 15.446 -1.190 1.00 0.00 N ATOM 0 H ASN A 25 60.040 16.755 -0.985 1.00 0.00 H new ATOM 0 HA ASN A 25 61.458 19.000 -1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 25 60.634 16.507 -3.384 1.00 0.00 H new ATOM 0 HB3 ASN A 25 62.027 17.506 -3.750 1.00 0.00 H new ATOM 0 HD21 ASN A 25 62.193 14.897 -0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 25 60.642 15.302 -1.267 1.00 0.00 H new ATOM 359 N LYS A 26 58.715 19.061 -3.380 1.00 0.00 N ATOM 360 CA LYS A 26 57.923 19.888 -4.334 1.00 0.00 C ATOM 361 C LYS A 26 56.944 20.692 -3.478 1.00 0.00 C ATOM 362 O LYS A 26 56.450 20.215 -2.475 1.00 0.00 O ATOM 363 CB LYS A 26 57.076 19.028 -5.337 1.00 0.00 C ATOM 364 CG LYS A 26 57.897 18.050 -6.222 1.00 0.00 C ATOM 365 CD LYS A 26 58.556 16.923 -5.398 1.00 0.00 C ATOM 366 CE LYS A 26 59.276 15.947 -6.338 1.00 0.00 C ATOM 367 NZ LYS A 26 59.908 14.862 -5.537 1.00 0.00 N ATOM 0 H LYS A 26 58.169 18.370 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 26 58.607 20.497 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 26 56.344 18.453 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 26 56.518 19.701 -5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 26 57.244 17.611 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 26 58.669 18.606 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 26 59.264 17.347 -4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 26 57.800 16.394 -4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 26 58.569 15.523 -7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 26 60.034 16.475 -6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 60.126 14.055 -6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 60.786 15.215 -5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 59.253 14.557 -4.789 1.00 0.00 H new ATOM 381 N LEU A 27 56.714 21.895 -3.921 1.00 0.00 N ATOM 382 CA LEU A 27 55.779 22.836 -3.222 1.00 0.00 C ATOM 383 C LEU A 27 54.513 23.011 -4.071 1.00 0.00 C ATOM 384 O LEU A 27 53.928 24.070 -4.193 1.00 0.00 O ATOM 385 CB LEU A 27 56.489 24.187 -3.023 1.00 0.00 C ATOM 386 CG LEU A 27 57.775 24.029 -2.157 1.00 0.00 C ATOM 387 CD1 LEU A 27 58.455 25.406 -2.022 1.00 0.00 C ATOM 388 CD2 LEU A 27 57.429 23.507 -0.738 1.00 0.00 C ATOM 0 H LEU A 27 57.145 22.281 -4.761 1.00 0.00 H new ATOM 0 HA LEU A 27 55.495 22.437 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 27 56.751 24.609 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.809 24.890 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 27 58.436 23.312 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 27 59.357 25.309 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 27 58.720 25.780 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 27 57.770 26.105 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 27 58.344 23.406 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 27 56.760 24.212 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 27 56.940 22.536 -0.817 1.00 0.00 H new ATOM 400 N VAL A 28 54.163 21.886 -4.621 1.00 0.00 N ATOM 401 CA VAL A 28 52.970 21.709 -5.514 1.00 0.00 C ATOM 402 C VAL A 28 52.695 20.215 -5.449 1.00 0.00 C ATOM 403 O VAL A 28 53.592 19.440 -5.171 1.00 0.00 O ATOM 404 CB VAL A 28 53.264 22.015 -6.987 1.00 0.00 C ATOM 405 CG1 VAL A 28 51.963 22.035 -7.826 1.00 0.00 C ATOM 406 CG2 VAL A 28 54.055 23.323 -7.183 1.00 0.00 C ATOM 0 H VAL A 28 54.688 21.022 -4.481 1.00 0.00 H new ATOM 0 HA VAL A 28 52.167 22.372 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 28 53.899 21.204 -7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 28 52.204 22.255 -8.866 1.00 0.00 H new ATOM 0 HG12 VAL A 28 51.475 21.062 -7.764 1.00 0.00 H new ATOM 0 HG13 VAL A 28 51.292 22.802 -7.439 1.00 0.00 H new ATOM 0 HG21 VAL A 28 54.232 23.485 -8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 28 53.483 24.158 -6.779 1.00 0.00 H new ATOM 0 HG23 VAL A 28 55.010 23.252 -6.663 1.00 0.00 H new ATOM 416 N LEU A 29 51.471 19.853 -5.718 1.00 0.00 N ATOM 417 CA LEU A 29 51.090 18.415 -5.688 1.00 0.00 C ATOM 418 C LEU A 29 52.163 17.596 -6.401 1.00 0.00 C ATOM 419 O LEU A 29 52.662 16.609 -5.902 1.00 0.00 O ATOM 420 CB LEU A 29 49.687 18.349 -6.345 1.00 0.00 C ATOM 421 CG LEU A 29 49.019 16.928 -6.451 1.00 0.00 C ATOM 422 CD1 LEU A 29 49.764 15.943 -7.388 1.00 0.00 C ATOM 423 CD2 LEU A 29 48.898 16.301 -5.045 1.00 0.00 C ATOM 0 H LEU A 29 50.716 20.495 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 29 51.030 17.989 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 29 49.017 18.998 -5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 29 49.763 18.765 -7.350 1.00 0.00 H new ATOM 0 HG LEU A 29 48.037 17.092 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 29 49.238 14.988 -7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 29 49.798 16.356 -8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 29 50.780 15.792 -7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 29 48.435 15.317 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 29 49.890 16.201 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 29 48.283 16.942 -4.413 1.00 0.00 H new ATOM 435 N CYS A 30 52.476 18.084 -7.558 1.00 0.00 N ATOM 436 CA CYS A 30 53.506 17.453 -8.428 1.00 0.00 C ATOM 437 C CYS A 30 53.983 18.502 -9.438 1.00 0.00 C ATOM 438 O CYS A 30 53.402 19.566 -9.542 1.00 0.00 O ATOM 439 CB CYS A 30 52.883 16.241 -9.140 1.00 0.00 C ATOM 440 SG CYS A 30 53.968 15.327 -10.262 1.00 0.00 S ATOM 0 H CYS A 30 52.049 18.922 -7.954 1.00 0.00 H new ATOM 0 HA CYS A 30 54.359 17.106 -7.845 1.00 0.00 H new ATOM 0 HB2 CYS A 30 52.515 15.550 -8.381 1.00 0.00 H new ATOM 0 HB3 CYS A 30 52.017 16.584 -9.706 1.00 0.00 H new ATOM 445 N ASP A 31 55.033 18.172 -10.147 1.00 0.00 N ATOM 446 CA ASP A 31 55.597 19.115 -11.165 1.00 0.00 C ATOM 447 C ASP A 31 55.929 18.412 -12.500 1.00 0.00 C ATOM 448 O ASP A 31 56.134 19.066 -13.504 1.00 0.00 O ATOM 449 CB ASP A 31 56.862 19.750 -10.551 1.00 0.00 C ATOM 450 CG ASP A 31 57.482 20.764 -11.531 1.00 0.00 C ATOM 451 OD1 ASP A 31 56.936 21.853 -11.600 1.00 0.00 O ATOM 452 OD2 ASP A 31 58.462 20.391 -12.154 1.00 0.00 O ATOM 0 H ASP A 31 55.528 17.284 -10.065 1.00 0.00 H new ATOM 0 HA ASP A 31 54.854 19.875 -11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 31 56.609 20.247 -9.614 1.00 0.00 H new ATOM 0 HB3 ASP A 31 57.588 18.973 -10.314 1.00 0.00 H new ATOM 457 N LYS A 32 55.969 17.103 -12.468 1.00 0.00 N ATOM 458 CA LYS A 32 56.285 16.287 -13.687 1.00 0.00 C ATOM 459 C LYS A 32 55.325 16.509 -14.874 1.00 0.00 C ATOM 460 O LYS A 32 55.694 16.268 -16.007 1.00 0.00 O ATOM 461 CB LYS A 32 56.263 14.797 -13.287 1.00 0.00 C ATOM 462 CG LYS A 32 57.304 14.532 -12.176 1.00 0.00 C ATOM 463 CD LYS A 32 57.261 13.039 -11.785 1.00 0.00 C ATOM 464 CE LYS A 32 58.277 12.762 -10.660 1.00 0.00 C ATOM 465 NZ LYS A 32 59.659 13.089 -11.115 1.00 0.00 N ATOM 0 H LYS A 32 55.792 16.551 -11.629 1.00 0.00 H new ATOM 0 HA LYS A 32 57.266 16.609 -14.037 1.00 0.00 H new ATOM 0 HB2 LYS A 32 55.268 14.520 -12.938 1.00 0.00 H new ATOM 0 HB3 LYS A 32 56.480 14.176 -14.156 1.00 0.00 H new ATOM 0 HG2 LYS A 32 58.301 14.800 -12.524 1.00 0.00 H new ATOM 0 HG3 LYS A 32 57.092 15.154 -11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 32 56.258 12.769 -11.455 1.00 0.00 H new ATOM 0 HD3 LYS A 32 57.489 12.420 -12.653 1.00 0.00 H new ATOM 0 HE2 LYS A 32 58.027 13.356 -9.781 1.00 0.00 H new ATOM 0 HE3 LYS A 32 58.223 11.715 -10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 60.349 12.654 -10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 59.804 12.720 -12.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 59.789 14.121 -11.117 1.00 0.00 H new ATOM 479 N LYS A 33 54.132 16.959 -14.581 1.00 0.00 N ATOM 480 CA LYS A 33 53.106 17.214 -15.647 1.00 0.00 C ATOM 481 C LYS A 33 52.079 18.226 -15.157 1.00 0.00 C ATOM 482 O LYS A 33 52.020 18.505 -13.977 1.00 0.00 O ATOM 483 CB LYS A 33 52.444 15.855 -15.998 1.00 0.00 C ATOM 484 CG LYS A 33 51.326 16.024 -17.043 1.00 0.00 C ATOM 485 CD LYS A 33 50.720 14.657 -17.454 1.00 0.00 C ATOM 486 CE LYS A 33 51.773 13.750 -18.123 1.00 0.00 C ATOM 487 NZ LYS A 33 51.140 12.462 -18.527 1.00 0.00 N ATOM 0 H LYS A 33 53.817 17.165 -13.633 1.00 0.00 H new ATOM 0 HA LYS A 33 53.569 17.636 -16.539 1.00 0.00 H new ATOM 0 HB2 LYS A 33 53.200 15.169 -16.380 1.00 0.00 H new ATOM 0 HB3 LYS A 33 52.033 15.405 -15.094 1.00 0.00 H new ATOM 0 HG2 LYS A 33 50.542 16.664 -16.638 1.00 0.00 H new ATOM 0 HG3 LYS A 33 51.724 16.527 -17.925 1.00 0.00 H new ATOM 0 HD2 LYS A 33 50.315 14.158 -16.574 1.00 0.00 H new ATOM 0 HD3 LYS A 33 49.888 14.818 -18.140 1.00 0.00 H new ATOM 0 HE2 LYS A 33 52.195 14.249 -18.995 1.00 0.00 H new ATOM 0 HE3 LYS A 33 52.596 13.562 -17.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 51.851 11.852 -18.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 50.757 11.985 -17.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 50.369 12.650 -19.199 1.00 0.00 H new ATOM 501 N CYS A 34 51.309 18.746 -16.084 1.00 0.00 N ATOM 502 CA CYS A 34 50.267 19.743 -15.714 1.00 0.00 C ATOM 503 C CYS A 34 48.821 19.252 -15.812 1.00 0.00 C ATOM 504 O CYS A 34 48.105 19.505 -16.763 1.00 0.00 O ATOM 505 CB CYS A 34 50.396 20.999 -16.590 1.00 0.00 C ATOM 506 SG CYS A 34 51.827 22.096 -16.417 1.00 0.00 S ATOM 0 H CYS A 34 51.361 18.520 -17.077 1.00 0.00 H new ATOM 0 HA CYS A 34 50.459 19.950 -14.661 1.00 0.00 H new ATOM 0 HB2 CYS A 34 50.365 20.671 -17.629 1.00 0.00 H new ATOM 0 HB3 CYS A 34 49.505 21.603 -16.420 1.00 0.00 H new ATOM 511 N ASN A 35 48.455 18.546 -14.783 1.00 0.00 N ATOM 512 CA ASN A 35 47.063 17.987 -14.690 1.00 0.00 C ATOM 513 C ASN A 35 46.247 19.019 -13.895 1.00 0.00 C ATOM 514 O ASN A 35 46.651 19.438 -12.826 1.00 0.00 O ATOM 515 CB ASN A 35 47.006 16.651 -13.913 1.00 0.00 C ATOM 516 CG ASN A 35 47.946 15.593 -14.505 1.00 0.00 C ATOM 517 OD1 ASN A 35 48.382 15.672 -15.636 1.00 0.00 O ATOM 518 ND2 ASN A 35 48.279 14.578 -13.755 1.00 0.00 N ATOM 0 H ASN A 35 49.059 18.325 -13.991 1.00 0.00 H new ATOM 0 HA ASN A 35 46.687 17.799 -15.695 1.00 0.00 H new ATOM 0 HB2 ASN A 35 47.272 16.828 -12.871 1.00 0.00 H new ATOM 0 HB3 ASN A 35 45.984 16.272 -13.921 1.00 0.00 H new ATOM 0 HD21 ASN A 35 48.902 13.857 -14.120 1.00 0.00 H new ATOM 0 HD22 ASN A 35 47.916 14.506 -12.804 1.00 0.00 H new ATOM 525 N GLN A 36 45.123 19.391 -14.447 1.00 0.00 N ATOM 526 CA GLN A 36 44.219 20.390 -13.796 1.00 0.00 C ATOM 527 C GLN A 36 43.156 19.595 -13.038 1.00 0.00 C ATOM 528 O GLN A 36 42.064 19.338 -13.511 1.00 0.00 O ATOM 529 CB GLN A 36 43.598 21.269 -14.906 1.00 0.00 C ATOM 530 CG GLN A 36 44.717 21.931 -15.743 1.00 0.00 C ATOM 531 CD GLN A 36 44.099 22.847 -16.804 1.00 0.00 C ATOM 532 OE1 GLN A 36 43.461 23.834 -16.496 1.00 0.00 O ATOM 533 NE2 GLN A 36 44.263 22.554 -18.065 1.00 0.00 N ATOM 0 H GLN A 36 44.784 19.037 -15.342 1.00 0.00 H new ATOM 0 HA GLN A 36 44.741 21.046 -13.100 1.00 0.00 H new ATOM 0 HB2 GLN A 36 42.962 20.661 -15.550 1.00 0.00 H new ATOM 0 HB3 GLN A 36 42.963 22.035 -14.462 1.00 0.00 H new ATOM 0 HG2 GLN A 36 45.378 22.505 -15.094 1.00 0.00 H new ATOM 0 HG3 GLN A 36 45.327 21.165 -16.222 1.00 0.00 H new ATOM 0 HE21 GLN A 36 44.797 21.727 -18.331 1.00 0.00 H new ATOM 0 HE22 GLN A 36 43.857 23.152 -18.785 1.00 0.00 H new ATOM 542 N ARG A 37 43.564 19.232 -11.854 1.00 0.00 N ATOM 543 CA ARG A 37 42.723 18.443 -10.906 1.00 0.00 C ATOM 544 C ARG A 37 43.005 18.998 -9.509 1.00 0.00 C ATOM 545 O ARG A 37 43.442 20.126 -9.373 1.00 0.00 O ATOM 546 CB ARG A 37 43.134 16.952 -11.016 1.00 0.00 C ATOM 547 CG ARG A 37 44.657 16.807 -10.711 1.00 0.00 C ATOM 548 CD ARG A 37 45.108 15.342 -10.807 1.00 0.00 C ATOM 549 NE ARG A 37 44.893 14.855 -12.204 1.00 0.00 N ATOM 550 CZ ARG A 37 45.528 13.808 -12.672 1.00 0.00 C ATOM 551 NH1 ARG A 37 46.374 13.148 -11.924 1.00 0.00 N ATOM 552 NH2 ARG A 37 45.291 13.449 -13.902 1.00 0.00 N ATOM 0 H ARG A 37 44.488 19.461 -11.488 1.00 0.00 H new ATOM 0 HA ARG A 37 41.658 18.517 -11.124 1.00 0.00 H new ATOM 0 HB2 ARG A 37 42.553 16.351 -10.316 1.00 0.00 H new ATOM 0 HB3 ARG A 37 42.915 16.576 -12.016 1.00 0.00 H new ATOM 0 HG2 ARG A 37 45.230 17.413 -11.413 1.00 0.00 H new ATOM 0 HG3 ARG A 37 44.868 17.190 -9.713 1.00 0.00 H new ATOM 0 HD2 ARG A 37 46.160 15.254 -10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 37 44.545 14.728 -10.104 1.00 0.00 H new ATOM 0 HE ARG A 37 44.236 15.349 -12.808 1.00 0.00 H new ATOM 0 HH11 ARG A 37 46.546 13.446 -10.964 1.00 0.00 H new ATOM 0 HH12 ARG A 37 46.861 12.335 -12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 37 44.628 13.978 -14.469 1.00 0.00 H new ATOM 0 HH22 ARG A 37 45.768 12.639 -14.298 1.00 0.00 H new ATOM 566 N CYS A 38 42.746 18.189 -8.514 1.00 0.00 N ATOM 567 CA CYS A 38 42.999 18.644 -7.117 1.00 0.00 C ATOM 568 C CYS A 38 44.387 18.178 -6.669 1.00 0.00 C ATOM 569 O CYS A 38 44.964 17.267 -7.231 1.00 0.00 O ATOM 570 CB CYS A 38 41.986 18.064 -6.125 1.00 0.00 C ATOM 571 SG CYS A 38 42.349 18.640 -4.450 1.00 0.00 S ATOM 0 H CYS A 38 42.374 17.244 -8.608 1.00 0.00 H new ATOM 0 HA CYS A 38 42.916 19.731 -7.120 1.00 0.00 H new ATOM 0 HB2 CYS A 38 40.977 18.362 -6.409 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.017 16.975 -6.157 1.00 0.00 H new ATOM 576 N GLY A 39 44.871 18.838 -5.652 1.00 0.00 N ATOM 577 CA GLY A 39 46.207 18.517 -5.083 1.00 0.00 C ATOM 578 C GLY A 39 46.468 19.433 -3.892 1.00 0.00 C ATOM 579 O GLY A 39 45.687 20.324 -3.626 1.00 0.00 O ATOM 0 H GLY A 39 44.384 19.602 -5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 39 46.243 17.473 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 39 46.981 18.651 -5.839 1.00 0.00 H new ATOM 583 N CYS A 40 47.554 19.203 -3.199 1.00 0.00 N ATOM 584 CA CYS A 40 47.879 20.055 -2.023 1.00 0.00 C ATOM 585 C CYS A 40 48.086 21.509 -2.412 1.00 0.00 C ATOM 586 O CYS A 40 48.374 21.834 -3.550 1.00 0.00 O ATOM 587 CB CYS A 40 49.142 19.547 -1.355 1.00 0.00 C ATOM 588 SG CYS A 40 49.087 17.927 -0.564 1.00 0.00 S ATOM 0 H CYS A 40 48.227 18.463 -3.399 1.00 0.00 H new ATOM 0 HA CYS A 40 47.032 19.999 -1.339 1.00 0.00 H new ATOM 0 HB2 CYS A 40 49.932 19.526 -2.106 1.00 0.00 H new ATOM 0 HB3 CYS A 40 49.438 20.277 -0.602 1.00 0.00 H new ATOM 593 N ILE A 41 47.930 22.335 -1.416 1.00 0.00 N ATOM 594 CA ILE A 41 48.091 23.804 -1.615 1.00 0.00 C ATOM 595 C ILE A 41 49.591 24.102 -1.742 1.00 0.00 C ATOM 596 O ILE A 41 50.425 23.290 -1.391 1.00 0.00 O ATOM 597 CB ILE A 41 47.469 24.529 -0.397 1.00 0.00 C ATOM 598 CG1 ILE A 41 46.018 23.971 -0.224 1.00 0.00 C ATOM 599 CG2 ILE A 41 47.395 26.055 -0.679 1.00 0.00 C ATOM 600 CD1 ILE A 41 45.263 24.599 0.959 1.00 0.00 C ATOM 0 H ILE A 41 47.696 22.054 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 41 47.587 24.151 -2.517 1.00 0.00 H new ATOM 0 HB ILE A 41 48.068 24.365 0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 41 45.456 24.149 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 41 46.066 22.891 -0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 41 46.957 26.563 0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 41 48.399 26.441 -0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 41 46.778 26.233 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 41 44.264 24.168 1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 41 45.804 24.399 1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 41 45.185 25.676 0.810 1.00 0.00 H new ATOM 612 N SER A 42 49.874 25.272 -2.240 1.00 0.00 N ATOM 613 CA SER A 42 51.288 25.704 -2.430 1.00 0.00 C ATOM 614 C SER A 42 51.859 26.132 -1.078 1.00 0.00 C ATOM 615 O SER A 42 51.594 27.212 -0.584 1.00 0.00 O ATOM 616 CB SER A 42 51.310 26.871 -3.439 1.00 0.00 C ATOM 617 OG SER A 42 52.687 27.194 -3.575 1.00 0.00 O ATOM 0 H SER A 42 49.176 25.958 -2.528 1.00 0.00 H new ATOM 0 HA SER A 42 51.899 24.890 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 42 50.874 26.579 -4.394 1.00 0.00 H new ATOM 0 HB3 SER A 42 50.736 27.723 -3.074 1.00 0.00 H new ATOM 0 HG SER A 42 52.788 27.935 -4.208 1.00 0.00 H new ATOM 623 N GLY A 43 52.634 25.231 -0.541 1.00 0.00 N ATOM 624 CA GLY A 43 53.294 25.443 0.780 1.00 0.00 C ATOM 625 C GLY A 43 53.065 24.200 1.639 1.00 0.00 C ATOM 626 O GLY A 43 53.857 23.902 2.511 1.00 0.00 O ATOM 0 H GLY A 43 52.843 24.332 -0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 43 54.361 25.620 0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.883 26.325 1.272 1.00 0.00 H new ATOM 630 N THR A 44 51.985 23.511 1.359 1.00 0.00 N ATOM 631 CA THR A 44 51.656 22.277 2.132 1.00 0.00 C ATOM 632 C THR A 44 52.271 21.048 1.451 1.00 0.00 C ATOM 633 O THR A 44 53.046 21.167 0.524 1.00 0.00 O ATOM 634 CB THR A 44 50.100 22.110 2.231 1.00 0.00 C ATOM 635 OG1 THR A 44 49.576 22.032 0.909 1.00 0.00 O ATOM 636 CG2 THR A 44 49.434 23.345 2.823 1.00 0.00 C ATOM 0 H THR A 44 51.317 23.752 0.627 1.00 0.00 H new ATOM 0 HA THR A 44 52.070 22.368 3.136 1.00 0.00 H new ATOM 0 HB THR A 44 49.909 21.230 2.846 1.00 0.00 H new ATOM 0 HG1 THR A 44 50.192 22.472 0.286 1.00 0.00 H new ATOM 0 HG21 THR A 44 48.357 23.188 2.874 1.00 0.00 H new ATOM 0 HG22 THR A 44 49.823 23.523 3.826 1.00 0.00 H new ATOM 0 HG23 THR A 44 49.645 24.209 2.193 1.00 0.00 H new ATOM 644 N VAL A 45 51.889 19.911 1.964 1.00 0.00 N ATOM 645 CA VAL A 45 52.331 18.569 1.483 1.00 0.00 C ATOM 646 C VAL A 45 51.313 17.583 2.037 1.00 0.00 C ATOM 647 O VAL A 45 50.997 17.643 3.209 1.00 0.00 O ATOM 648 CB VAL A 45 53.760 18.141 2.007 1.00 0.00 C ATOM 649 CG1 VAL A 45 54.863 19.006 1.422 1.00 0.00 C ATOM 650 CG2 VAL A 45 53.928 18.193 3.543 1.00 0.00 C ATOM 0 H VAL A 45 51.243 19.858 2.752 1.00 0.00 H new ATOM 0 HA VAL A 45 52.397 18.590 0.395 1.00 0.00 H new ATOM 0 HB VAL A 45 53.842 17.105 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 45 55.827 18.677 1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 45 54.858 18.916 0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 45 54.696 20.046 1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 45 54.939 17.883 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 45 53.756 19.211 3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 45 53.208 17.522 4.011 1.00 0.00 H new ATOM 660 N LEU A 46 50.827 16.709 1.194 1.00 0.00 N ATOM 661 CA LEU A 46 49.817 15.698 1.638 1.00 0.00 C ATOM 662 C LEU A 46 50.452 14.897 2.782 1.00 0.00 C ATOM 663 O LEU A 46 51.271 14.034 2.541 1.00 0.00 O ATOM 664 CB LEU A 46 49.468 14.801 0.421 1.00 0.00 C ATOM 665 CG LEU A 46 48.343 13.785 0.740 1.00 0.00 C ATOM 666 CD1 LEU A 46 47.029 14.541 1.048 1.00 0.00 C ATOM 667 CD2 LEU A 46 48.138 12.865 -0.482 1.00 0.00 C ATOM 0 H LEU A 46 51.088 16.651 0.210 1.00 0.00 H new ATOM 0 HA LEU A 46 48.893 16.152 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 46 49.160 15.430 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 46 50.360 14.263 0.102 1.00 0.00 H new ATOM 0 HG LEU A 46 48.621 13.188 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 46 46.240 13.823 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 46 47.178 15.195 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 46 46.741 15.138 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 46 47.348 12.146 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 46 47.857 13.466 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 46 49.065 12.333 -0.696 1.00 0.00 H new ATOM 679 N LYS A 47 50.038 15.241 3.979 1.00 0.00 N ATOM 680 CA LYS A 47 50.509 14.616 5.259 1.00 0.00 C ATOM 681 C LYS A 47 51.264 13.274 5.146 1.00 0.00 C ATOM 682 O LYS A 47 52.308 13.121 5.750 1.00 0.00 O ATOM 683 CB LYS A 47 49.245 14.510 6.147 1.00 0.00 C ATOM 684 CG LYS A 47 49.545 13.817 7.488 1.00 0.00 C ATOM 685 CD LYS A 47 48.370 13.944 8.507 1.00 0.00 C ATOM 686 CE LYS A 47 47.008 13.430 7.979 1.00 0.00 C ATOM 687 NZ LYS A 47 46.482 14.311 6.895 1.00 0.00 N ATOM 0 H LYS A 47 49.348 15.978 4.127 1.00 0.00 H new ATOM 0 HA LYS A 47 51.287 15.248 5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 47 48.848 15.508 6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 47 48.473 13.954 5.615 1.00 0.00 H new ATOM 0 HG2 LYS A 47 49.753 12.762 7.309 1.00 0.00 H new ATOM 0 HG3 LYS A 47 50.446 14.250 7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 47 48.628 13.392 9.411 1.00 0.00 H new ATOM 0 HD3 LYS A 47 48.264 14.991 8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 47 47.121 12.413 7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 47 46.290 13.388 8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 45.490 14.551 7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 47.047 15.183 6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 46.542 13.814 5.984 1.00 0.00 H new ATOM 701 N SER A 48 50.733 12.347 4.389 1.00 0.00 N ATOM 702 CA SER A 48 51.403 11.018 4.217 1.00 0.00 C ATOM 703 C SER A 48 51.413 10.640 2.744 1.00 0.00 C ATOM 704 O SER A 48 50.837 11.335 1.928 1.00 0.00 O ATOM 705 CB SER A 48 50.643 9.948 5.023 1.00 0.00 C ATOM 706 OG SER A 48 50.704 10.417 6.362 1.00 0.00 O ATOM 0 H SER A 48 49.857 12.453 3.878 1.00 0.00 H new ATOM 0 HA SER A 48 52.429 11.080 4.580 1.00 0.00 H new ATOM 0 HB2 SER A 48 49.613 9.849 4.682 1.00 0.00 H new ATOM 0 HB3 SER A 48 51.108 8.967 4.922 1.00 0.00 H new ATOM 0 HG SER A 48 50.237 9.788 6.951 1.00 0.00 H new ATOM 712 N LYS A 49 52.080 9.541 2.474 1.00 0.00 N ATOM 713 CA LYS A 49 52.221 8.980 1.090 1.00 0.00 C ATOM 714 C LYS A 49 50.935 9.133 0.266 1.00 0.00 C ATOM 715 O LYS A 49 50.984 9.258 -0.944 1.00 0.00 O ATOM 716 CB LYS A 49 52.610 7.489 1.225 1.00 0.00 C ATOM 717 CG LYS A 49 52.797 6.794 -0.152 1.00 0.00 C ATOM 718 CD LYS A 49 53.937 7.457 -0.965 1.00 0.00 C ATOM 719 CE LYS A 49 54.093 6.747 -2.321 1.00 0.00 C ATOM 720 NZ LYS A 49 54.439 5.311 -2.118 1.00 0.00 N ATOM 0 H LYS A 49 52.552 8.987 3.189 1.00 0.00 H new ATOM 0 HA LYS A 49 52.991 9.535 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 49 53.534 7.409 1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 49 51.839 6.966 1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 49 53.021 5.738 -0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 49 51.866 6.845 -0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 49 53.718 8.513 -1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 49 54.872 7.404 -0.407 1.00 0.00 H new ATOM 0 HE2 LYS A 49 53.167 6.828 -2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 49 54.871 7.236 -2.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 54.850 4.926 -2.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 55.129 5.226 -1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 53.580 4.778 -1.876 1.00 0.00 H new ATOM 734 N ASP A 50 49.827 9.121 0.964 1.00 0.00 N ATOM 735 CA ASP A 50 48.503 9.259 0.290 1.00 0.00 C ATOM 736 C ASP A 50 47.409 9.553 1.338 1.00 0.00 C ATOM 737 O ASP A 50 46.464 8.803 1.495 1.00 0.00 O ATOM 738 CB ASP A 50 48.206 7.938 -0.485 1.00 0.00 C ATOM 739 CG ASP A 50 46.873 8.054 -1.253 1.00 0.00 C ATOM 740 OD1 ASP A 50 46.833 8.886 -2.146 1.00 0.00 O ATOM 741 OD2 ASP A 50 45.971 7.309 -0.905 1.00 0.00 O ATOM 0 H ASP A 50 49.784 9.021 1.978 1.00 0.00 H new ATOM 0 HA ASP A 50 48.516 10.091 -0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 50 49.017 7.727 -1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 50 48.160 7.102 0.213 1.00 0.00 H new ATOM 746 N SER A 51 47.575 10.650 2.035 1.00 0.00 N ATOM 747 CA SER A 51 46.579 11.045 3.081 1.00 0.00 C ATOM 748 C SER A 51 45.404 11.767 2.369 1.00 0.00 C ATOM 749 O SER A 51 45.159 11.521 1.203 1.00 0.00 O ATOM 750 CB SER A 51 47.321 11.959 4.083 1.00 0.00 C ATOM 751 OG SER A 51 46.394 12.169 5.135 1.00 0.00 O ATOM 0 H SER A 51 48.360 11.292 1.925 1.00 0.00 H new ATOM 0 HA SER A 51 46.164 10.197 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 51 48.234 11.488 4.448 1.00 0.00 H new ATOM 0 HB3 SER A 51 47.613 12.901 3.618 1.00 0.00 H new ATOM 0 HG SER A 51 46.394 11.391 5.731 1.00 0.00 H new ATOM 757 N SER A 52 44.711 12.627 3.076 1.00 0.00 N ATOM 758 CA SER A 52 43.553 13.388 2.497 1.00 0.00 C ATOM 759 C SER A 52 43.709 14.890 2.799 1.00 0.00 C ATOM 760 O SER A 52 43.093 15.714 2.151 1.00 0.00 O ATOM 761 CB SER A 52 42.254 12.852 3.121 1.00 0.00 C ATOM 762 OG SER A 52 41.215 13.594 2.497 1.00 0.00 O ATOM 0 H SER A 52 44.903 12.840 4.055 1.00 0.00 H new ATOM 0 HA SER A 52 43.523 13.257 1.415 1.00 0.00 H new ATOM 0 HB2 SER A 52 42.140 11.783 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 52 42.247 12.994 4.202 1.00 0.00 H new ATOM 0 HG SER A 52 40.348 13.302 2.848 1.00 0.00 H new ATOM 768 N GLU A 53 44.528 15.194 3.776 1.00 0.00 N ATOM 769 CA GLU A 53 44.775 16.617 4.174 1.00 0.00 C ATOM 770 C GLU A 53 46.271 16.898 4.062 1.00 0.00 C ATOM 771 O GLU A 53 47.088 16.049 4.368 1.00 0.00 O ATOM 772 CB GLU A 53 44.302 16.837 5.619 1.00 0.00 C ATOM 773 CG GLU A 53 42.793 16.545 5.693 1.00 0.00 C ATOM 774 CD GLU A 53 42.283 16.812 7.118 1.00 0.00 C ATOM 775 OE1 GLU A 53 42.514 15.950 7.949 1.00 0.00 O ATOM 776 OE2 GLU A 53 41.689 17.866 7.291 1.00 0.00 O ATOM 0 H GLU A 53 45.044 14.506 4.324 1.00 0.00 H new ATOM 0 HA GLU A 53 44.224 17.293 3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 53 44.847 16.183 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.505 17.861 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.256 17.172 4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 53 42.599 15.509 5.415 1.00 0.00 H new ATOM 783 N CYS A 54 46.572 18.094 3.625 1.00 0.00 N ATOM 784 CA CYS A 54 47.992 18.514 3.458 1.00 0.00 C ATOM 785 C CYS A 54 48.394 19.528 4.536 1.00 0.00 C ATOM 786 O CYS A 54 47.645 20.423 4.878 1.00 0.00 O ATOM 787 CB CYS A 54 48.140 19.134 2.083 1.00 0.00 C ATOM 788 SG CYS A 54 47.513 18.190 0.671 1.00 0.00 S ATOM 0 H CYS A 54 45.884 18.804 3.374 1.00 0.00 H new ATOM 0 HA CYS A 54 48.644 17.647 3.559 1.00 0.00 H new ATOM 0 HB2 CYS A 54 47.635 20.100 2.093 1.00 0.00 H new ATOM 0 HB3 CYS A 54 49.199 19.329 1.914 1.00 0.00 H new ATOM 793 N VAL A 55 49.586 19.326 5.025 1.00 0.00 N ATOM 794 CA VAL A 55 50.206 20.182 6.084 1.00 0.00 C ATOM 795 C VAL A 55 51.515 20.746 5.540 1.00 0.00 C ATOM 796 O VAL A 55 52.012 20.248 4.555 1.00 0.00 O ATOM 797 CB VAL A 55 50.494 19.326 7.336 1.00 0.00 C ATOM 798 CG1 VAL A 55 49.159 18.851 7.956 1.00 0.00 C ATOM 799 CG2 VAL A 55 51.313 18.071 6.946 1.00 0.00 C ATOM 0 H VAL A 55 50.188 18.562 4.718 1.00 0.00 H new ATOM 0 HA VAL A 55 49.531 20.993 6.356 1.00 0.00 H new ATOM 0 HB VAL A 55 51.054 19.932 8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 55 49.363 18.247 8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 55 48.561 19.717 8.239 1.00 0.00 H new ATOM 0 HG13 VAL A 55 48.611 18.254 7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 55 51.511 17.474 7.837 1.00 0.00 H new ATOM 0 HG22 VAL A 55 50.748 17.476 6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 55 52.258 18.378 6.498 1.00 0.00 H new ATOM 809 N HIS A 56 52.050 21.756 6.173 1.00 0.00 N ATOM 810 CA HIS A 56 53.340 22.341 5.682 1.00 0.00 C ATOM 811 C HIS A 56 54.493 21.508 6.269 1.00 0.00 C ATOM 812 O HIS A 56 54.285 20.783 7.223 1.00 0.00 O ATOM 813 CB HIS A 56 53.446 23.796 6.150 1.00 0.00 C ATOM 814 CG HIS A 56 52.283 24.607 5.574 1.00 0.00 C ATOM 815 ND1 HIS A 56 52.342 25.325 4.502 1.00 0.00 N ATOM 816 CD2 HIS A 56 50.983 24.764 6.021 1.00 0.00 C ATOM 817 CE1 HIS A 56 51.193 25.883 4.288 1.00 0.00 C ATOM 818 NE2 HIS A 56 50.319 25.562 5.209 1.00 0.00 N ATOM 0 H HIS A 56 51.656 22.201 7.002 1.00 0.00 H new ATOM 0 HA HIS A 56 53.385 22.322 4.593 1.00 0.00 H new ATOM 0 HB2 HIS A 56 53.429 23.840 7.239 1.00 0.00 H new ATOM 0 HB3 HIS A 56 54.395 24.224 5.828 1.00 0.00 H new ATOM 0 HD1 HIS A 56 53.168 25.436 3.914 1.00 0.00 H new ATOM 0 HD2 HIS A 56 50.572 24.300 6.906 1.00 0.00 H new ATOM 0 HE1 HIS A 56 50.981 26.533 3.452 1.00 0.00 H new ATOM 826 N PRO A 57 55.671 21.620 5.694 1.00 0.00 N ATOM 827 CA PRO A 57 56.884 20.997 6.262 1.00 0.00 C ATOM 828 C PRO A 57 57.090 21.375 7.740 1.00 0.00 C ATOM 829 O PRO A 57 57.641 20.598 8.496 1.00 0.00 O ATOM 830 CB PRO A 57 58.025 21.551 5.376 1.00 0.00 C ATOM 831 CG PRO A 57 57.430 22.698 4.640 1.00 0.00 C ATOM 832 CD PRO A 57 55.995 22.338 4.445 1.00 0.00 C ATOM 0 HA PRO A 57 56.831 19.908 6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.873 21.870 5.981 1.00 0.00 H new ATOM 0 HB3 PRO A 57 58.393 20.790 4.687 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.530 23.624 5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 57 57.930 22.854 3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.370 23.221 4.311 1.00 0.00 H new ATOM 0 HD3 PRO A 57 55.851 21.709 3.567 1.00 0.00 H new ATOM 840 N SER A 58 56.632 22.555 8.082 1.00 0.00 N ATOM 841 CA SER A 58 56.757 23.061 9.485 1.00 0.00 C ATOM 842 C SER A 58 55.927 22.260 10.495 1.00 0.00 C ATOM 843 O SER A 58 56.246 22.257 11.667 1.00 0.00 O ATOM 844 CB SER A 58 56.355 24.560 9.479 1.00 0.00 C ATOM 845 OG SER A 58 55.053 24.622 8.919 1.00 0.00 O ATOM 0 H SER A 58 56.170 23.198 7.439 1.00 0.00 H new ATOM 0 HA SER A 58 57.789 22.938 9.815 1.00 0.00 H new ATOM 0 HB2 SER A 58 56.363 24.969 10.489 1.00 0.00 H new ATOM 0 HB3 SER A 58 57.059 25.149 8.891 1.00 0.00 H new ATOM 0 HG SER A 58 55.033 25.300 8.212 1.00 0.00 H new ATOM 851 N LYS A 59 54.895 21.605 10.023 1.00 0.00 N ATOM 852 CA LYS A 59 54.035 20.788 10.937 1.00 0.00 C ATOM 853 C LYS A 59 54.554 19.359 10.859 1.00 0.00 C ATOM 854 O LYS A 59 54.623 18.665 11.855 1.00 0.00 O ATOM 855 CB LYS A 59 52.557 20.786 10.500 1.00 0.00 C ATOM 856 CG LYS A 59 51.894 22.173 10.631 1.00 0.00 C ATOM 857 CD LYS A 59 52.473 23.194 9.667 1.00 0.00 C ATOM 858 CE LYS A 59 51.695 24.517 9.805 1.00 0.00 C ATOM 859 NZ LYS A 59 52.244 25.546 8.877 1.00 0.00 N ATOM 0 H LYS A 59 54.610 21.600 9.044 1.00 0.00 H new ATOM 0 HA LYS A 59 54.082 21.207 11.942 1.00 0.00 H new ATOM 0 HB2 LYS A 59 52.489 20.452 9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 59 52.005 20.066 11.104 1.00 0.00 H new ATOM 0 HG2 LYS A 59 50.823 22.077 10.452 1.00 0.00 H new ATOM 0 HG3 LYS A 59 52.016 22.534 11.652 1.00 0.00 H new ATOM 0 HD2 LYS A 59 53.530 23.355 9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 59 52.407 22.824 8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 59 50.640 24.349 9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 59 51.756 24.876 10.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 52.581 26.363 9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 53.036 25.140 8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 51.499 25.853 8.219 1.00 0.00 H new ATOM 873 N CYS A 60 54.904 18.973 9.656 1.00 0.00 N ATOM 874 CA CYS A 60 55.436 17.601 9.425 1.00 0.00 C ATOM 875 C CYS A 60 56.671 17.336 10.311 1.00 0.00 C ATOM 876 O CYS A 60 57.518 18.217 10.342 1.00 0.00 O ATOM 877 CB CYS A 60 55.831 17.444 7.952 1.00 0.00 C ATOM 878 SG CYS A 60 54.594 17.392 6.635 1.00 0.00 S ATOM 879 OXT CYS A 60 56.697 16.272 10.905 1.00 0.00 O ATOM 0 H CYS A 60 54.842 19.556 8.821 1.00 0.00 H new ATOM 0 HA CYS A 60 54.658 16.883 9.682 1.00 0.00 H new ATOM 0 HB2 CYS A 60 56.507 18.266 7.717 1.00 0.00 H new ATOM 0 HB3 CYS A 60 56.410 16.524 7.877 1.00 0.00 H new TER 884 CYS A 60