USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 445 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 9 ASN : amide:sc= -2.04 K(o=-2,f=-3.5!) USER MOD Set 1.2: A 56 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.359) USER MOD Single : A 1 GLU N :NH3+ -160:sc= 0 (180deg=-0.367) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= -0.0629 (180deg=-0.482) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0126 F(o=-1.5!,f=-0.013) USER MOD Single : A 13 THR OG1 : rot -155:sc= 0.724 USER MOD Single : A 14 LYS NZ :NH3+ 144:sc= -0.473 (180deg=-1.69!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 24 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= -1.83 (180deg=-2.55!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.232 USER MOD Single : A 51 GLN : amide:sc= -0.525 X(o=-0.53,f=-0.87) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.06 F(o=-2!,f=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -17.889 7.121 -4.140 1.00 0.00 N ATOM 2 CA GLU A 1 -17.137 5.840 -4.285 1.00 0.00 C ATOM 3 C GLU A 1 -15.633 6.130 -4.270 1.00 0.00 C ATOM 4 O GLU A 1 -14.886 5.509 -3.540 1.00 0.00 O ATOM 5 CB GLU A 1 -17.503 5.146 -5.597 1.00 0.00 C ATOM 6 CG GLU A 1 -19.026 5.028 -5.693 1.00 0.00 C ATOM 7 CD GLU A 1 -19.387 3.725 -6.409 1.00 0.00 C ATOM 8 OE1 GLU A 1 -19.214 2.695 -5.777 1.00 0.00 O ATOM 9 OE2 GLU A 1 -19.816 3.833 -7.545 1.00 0.00 O ATOM 0 H1 GLU A 1 -18.856 6.921 -3.814 1.00 0.00 H new ATOM 0 H2 GLU A 1 -17.409 7.729 -3.446 1.00 0.00 H new ATOM 0 H3 GLU A 1 -17.927 7.607 -5.059 1.00 0.00 H new ATOM 0 HA GLU A 1 -17.401 5.184 -3.455 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -17.116 5.713 -6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -17.046 4.157 -5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -19.467 5.043 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -19.435 5.880 -6.236 1.00 0.00 H new ATOM 18 N ALA A 2 -15.220 7.069 -5.077 1.00 0.00 N ATOM 19 CA ALA A 2 -13.769 7.411 -5.122 1.00 0.00 C ATOM 20 C ALA A 2 -13.422 8.384 -3.990 1.00 0.00 C ATOM 21 O ALA A 2 -13.163 9.548 -4.225 1.00 0.00 O ATOM 22 CB ALA A 2 -13.449 8.060 -6.467 1.00 0.00 C ATOM 0 H ALA A 2 -15.818 7.610 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.181 6.501 -5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.389 8.313 -6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.686 7.365 -7.272 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.043 8.967 -6.584 1.00 0.00 H new ATOM 28 N GLU A 3 -13.425 7.885 -2.784 1.00 0.00 N ATOM 29 CA GLU A 3 -13.099 8.767 -1.625 1.00 0.00 C ATOM 30 C GLU A 3 -11.583 8.956 -1.512 1.00 0.00 C ATOM 31 O GLU A 3 -10.911 8.212 -0.825 1.00 0.00 O ATOM 32 CB GLU A 3 -13.630 8.123 -0.344 1.00 0.00 C ATOM 33 CG GLU A 3 -15.134 8.384 -0.237 1.00 0.00 C ATOM 34 CD GLU A 3 -15.372 9.851 0.128 1.00 0.00 C ATOM 35 OE1 GLU A 3 -14.376 10.535 0.301 1.00 0.00 O ATOM 36 OE2 GLU A 3 -16.535 10.206 0.212 1.00 0.00 O ATOM 0 H GLU A 3 -13.637 6.915 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.564 9.742 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.434 7.051 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.115 8.533 0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.623 8.149 -1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.574 7.734 0.519 1.00 0.00 H new ATOM 43 N LYS A 4 -11.077 9.950 -2.190 1.00 0.00 N ATOM 44 CA LYS A 4 -9.607 10.204 -2.132 1.00 0.00 C ATOM 45 C LYS A 4 -9.153 10.345 -0.674 1.00 0.00 C ATOM 46 O LYS A 4 -9.899 10.804 0.168 1.00 0.00 O ATOM 47 CB LYS A 4 -9.294 11.493 -2.890 1.00 0.00 C ATOM 48 CG LYS A 4 -8.075 11.266 -3.786 1.00 0.00 C ATOM 49 CD LYS A 4 -7.598 12.612 -4.334 1.00 0.00 C ATOM 50 CE LYS A 4 -6.715 12.371 -5.560 1.00 0.00 C ATOM 51 NZ LYS A 4 -5.723 13.473 -5.712 1.00 0.00 N ATOM 0 H LYS A 4 -11.610 10.592 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.078 9.367 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.152 11.793 -3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.098 12.304 -2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.277 10.786 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.331 10.596 -4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.453 13.232 -4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.040 13.152 -3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.196 11.418 -5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.334 12.305 -6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.131 13.295 -6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.224 14.377 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.121 13.517 -4.865 1.00 0.00 H new ATOM 65 N CYS A 5 -7.939 9.947 -0.408 1.00 0.00 N ATOM 66 CA CYS A 5 -7.424 10.051 0.988 1.00 0.00 C ATOM 67 C CYS A 5 -6.743 11.408 1.200 1.00 0.00 C ATOM 68 O CYS A 5 -6.838 12.284 0.362 1.00 0.00 O ATOM 69 CB CYS A 5 -6.430 8.921 1.241 1.00 0.00 C ATOM 70 SG CYS A 5 -7.032 7.230 1.002 1.00 0.00 S ATOM 0 H CYS A 5 -7.287 9.558 -1.089 1.00 0.00 H new ATOM 0 HA CYS A 5 -8.255 9.968 1.688 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.572 9.071 0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.068 9.011 2.265 1.00 0.00 H new ATOM 75 N THR A 6 -6.073 11.551 2.316 1.00 0.00 N ATOM 76 CA THR A 6 -5.394 12.849 2.613 1.00 0.00 C ATOM 77 C THR A 6 -3.867 12.706 2.552 1.00 0.00 C ATOM 78 O THR A 6 -3.187 13.531 1.977 1.00 0.00 O ATOM 79 CB THR A 6 -5.799 13.301 4.015 1.00 0.00 C ATOM 80 OG1 THR A 6 -6.037 12.092 4.730 1.00 0.00 O ATOM 81 CG2 THR A 6 -7.140 14.033 4.004 1.00 0.00 C ATOM 0 H THR A 6 -5.967 10.830 3.030 1.00 0.00 H new ATOM 0 HA THR A 6 -5.697 13.582 1.865 1.00 0.00 H new ATOM 0 HB THR A 6 -5.033 13.955 4.431 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.303 12.303 5.649 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.396 14.339 5.018 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.068 14.914 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.914 13.369 3.620 1.00 0.00 H new ATOM 89 N LYS A 7 -3.360 11.662 3.146 1.00 0.00 N ATOM 90 CA LYS A 7 -1.878 11.472 3.146 1.00 0.00 C ATOM 91 C LYS A 7 -1.408 10.840 1.808 1.00 0.00 C ATOM 92 O LYS A 7 -2.162 10.137 1.165 1.00 0.00 O ATOM 93 CB LYS A 7 -1.506 10.544 4.303 1.00 0.00 C ATOM 94 CG LYS A 7 -1.453 11.354 5.601 1.00 0.00 C ATOM 95 CD LYS A 7 -1.449 10.392 6.790 1.00 0.00 C ATOM 96 CE LYS A 7 -1.072 11.162 8.058 1.00 0.00 C ATOM 97 NZ LYS A 7 0.358 11.575 8.012 1.00 0.00 N ATOM 0 H LYS A 7 -3.897 10.940 3.626 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.391 12.440 3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.238 9.741 4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.540 10.075 4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.559 11.978 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.311 12.024 5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.431 9.934 6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.739 9.583 6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.708 12.042 8.159 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.249 10.539 8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.714 11.701 8.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.916 10.841 7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.444 12.472 7.492 1.00 0.00 H new ATOM 111 N PRO A 8 -0.158 11.107 1.409 1.00 0.00 N ATOM 112 CA PRO A 8 0.386 10.538 0.163 1.00 0.00 C ATOM 113 C PRO A 8 0.442 9.007 0.252 1.00 0.00 C ATOM 114 O PRO A 8 0.150 8.436 1.282 1.00 0.00 O ATOM 115 CB PRO A 8 1.806 11.104 0.045 1.00 0.00 C ATOM 116 CG PRO A 8 2.098 11.902 1.350 1.00 0.00 C ATOM 117 CD PRO A 8 0.781 11.985 2.140 1.00 0.00 C ATOM 0 HA PRO A 8 -0.233 10.791 -0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.530 10.300 -0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.890 11.751 -0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.869 11.406 1.939 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.469 12.900 1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.916 11.650 3.168 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.411 13.009 2.184 1.00 0.00 H new ATOM 125 N ASN A 9 0.826 8.379 -0.831 1.00 0.00 N ATOM 126 CA ASN A 9 0.911 6.885 -0.827 1.00 0.00 C ATOM 127 C ASN A 9 -0.418 6.278 -0.369 1.00 0.00 C ATOM 128 O ASN A 9 -1.233 5.894 -1.184 1.00 0.00 O ATOM 129 CB ASN A 9 2.038 6.451 0.113 1.00 0.00 C ATOM 130 CG ASN A 9 3.342 7.140 -0.303 1.00 0.00 C ATOM 131 OD1 ASN A 9 4.044 6.689 -1.187 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.703 8.234 0.311 1.00 0.00 N ATOM 0 H ASN A 9 1.082 8.830 -1.710 1.00 0.00 H new ATOM 0 HA ASN A 9 1.120 6.532 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.789 6.711 1.142 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.159 5.368 0.078 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.569 8.704 0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.119 8.618 1.054 1.00 0.00 H new ATOM 139 N GLU A 10 -0.608 6.192 0.924 1.00 0.00 N ATOM 140 CA GLU A 10 -1.889 5.624 1.432 1.00 0.00 C ATOM 141 C GLU A 10 -3.052 6.224 0.641 1.00 0.00 C ATOM 142 O GLU A 10 -3.429 7.359 0.858 1.00 0.00 O ATOM 143 CB GLU A 10 -2.040 5.966 2.913 1.00 0.00 C ATOM 144 CG GLU A 10 -0.840 5.409 3.681 1.00 0.00 C ATOM 145 CD GLU A 10 -1.339 4.601 4.881 1.00 0.00 C ATOM 146 OE1 GLU A 10 -1.576 3.421 4.677 1.00 0.00 O ATOM 147 OE2 GLU A 10 -1.453 5.209 5.933 1.00 0.00 O ATOM 0 H GLU A 10 0.058 6.486 1.638 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.889 4.541 1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.102 7.046 3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.966 5.543 3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.237 4.778 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.199 6.224 4.018 1.00 0.00 H new ATOM 154 N GLN A 11 -3.588 5.445 -0.260 1.00 0.00 N ATOM 155 CA GLN A 11 -4.714 5.946 -1.101 1.00 0.00 C ATOM 156 C GLN A 11 -5.886 4.979 -1.027 1.00 0.00 C ATOM 157 O GLN A 11 -5.764 3.887 -0.514 1.00 0.00 O ATOM 158 CB GLN A 11 -4.242 6.065 -2.549 1.00 0.00 C ATOM 159 CG GLN A 11 -4.887 7.299 -3.184 1.00 0.00 C ATOM 160 CD GLN A 11 -4.706 7.239 -4.701 1.00 0.00 C ATOM 161 OE1 GLN A 11 -3.967 6.294 -5.214 1.00 0.00 O flip ATOM 162 NE2 GLN A 11 -5.237 8.051 -5.433 1.00 0.00 N flip ATOM 0 H GLN A 11 -3.296 4.486 -0.450 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.034 6.921 -0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.156 6.147 -2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.513 5.169 -3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.947 7.339 -2.934 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.432 8.206 -2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.816 8.792 -5.038 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.104 7.991 -6.443 1.00 0.00 H new ATOM 171 N TRP A 12 -6.997 5.394 -1.550 1.00 0.00 N ATOM 172 CA TRP A 12 -8.190 4.512 -1.505 1.00 0.00 C ATOM 173 C TRP A 12 -7.927 3.198 -2.224 1.00 0.00 C ATOM 174 O TRP A 12 -7.320 3.171 -3.276 1.00 0.00 O ATOM 175 CB TRP A 12 -9.354 5.201 -2.189 1.00 0.00 C ATOM 176 CG TRP A 12 -10.525 4.219 -2.267 1.00 0.00 C ATOM 177 CD1 TRP A 12 -10.867 3.524 -3.354 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.352 3.975 -1.280 1.00 0.00 C ATOM 179 NE1 TRP A 12 -11.962 2.853 -2.961 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.335 3.085 -1.663 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.328 4.461 0.007 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.294 2.689 -0.765 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.288 4.061 0.913 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.274 3.174 0.523 1.00 0.00 C ATOM 0 H TRP A 12 -7.133 6.297 -2.004 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.419 4.309 -0.459 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.645 6.093 -1.634 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.066 5.527 -3.189 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.380 3.506 -4.318 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.474 2.222 -3.578 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.558 5.156 0.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.065 1.996 -1.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.269 4.440 1.924 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.029 2.861 1.229 1.00 0.00 H new ATOM 195 N THR A 13 -8.389 2.135 -1.633 1.00 0.00 N ATOM 196 CA THR A 13 -8.219 0.811 -2.279 1.00 0.00 C ATOM 197 C THR A 13 -9.493 -0.011 -2.074 1.00 0.00 C ATOM 198 O THR A 13 -9.930 -0.219 -0.959 1.00 0.00 O ATOM 199 CB THR A 13 -7.017 0.078 -1.669 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.261 -1.300 -1.934 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.990 0.195 -0.147 1.00 0.00 C ATOM 0 H THR A 13 -8.874 2.127 -0.736 1.00 0.00 H new ATOM 0 HA THR A 13 -8.038 0.946 -3.345 1.00 0.00 H new ATOM 0 HB THR A 13 -6.092 0.486 -2.077 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.794 -1.849 -1.269 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.123 -0.338 0.244 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.928 1.246 0.136 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.900 -0.239 0.267 1.00 0.00 H new ATOM 209 N LYS A 14 -10.074 -0.450 -3.150 1.00 0.00 N ATOM 210 CA LYS A 14 -11.328 -1.241 -3.018 1.00 0.00 C ATOM 211 C LYS A 14 -11.045 -2.551 -2.271 1.00 0.00 C ATOM 212 O LYS A 14 -11.948 -3.182 -1.758 1.00 0.00 O ATOM 213 CB LYS A 14 -11.883 -1.546 -4.417 1.00 0.00 C ATOM 214 CG LYS A 14 -13.381 -1.185 -4.499 1.00 0.00 C ATOM 215 CD LYS A 14 -13.521 0.267 -4.952 1.00 0.00 C ATOM 216 CE LYS A 14 -14.847 0.833 -4.438 1.00 0.00 C ATOM 217 NZ LYS A 14 -14.908 0.761 -2.952 1.00 0.00 N ATOM 0 H LYS A 14 -9.743 -0.300 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.062 -0.667 -2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.326 -0.982 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.745 -2.603 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.890 -1.848 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.855 -1.323 -3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.688 0.860 -4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.485 0.325 -6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.956 1.868 -4.762 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.678 0.275 -4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.407 1.596 -2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.417 -0.100 -2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.943 0.737 -2.566 1.00 0.00 H new ATOM 231 N CYS A 15 -9.793 -2.929 -2.231 1.00 0.00 N ATOM 232 CA CYS A 15 -9.418 -4.190 -1.521 1.00 0.00 C ATOM 233 C CYS A 15 -8.159 -3.964 -0.678 1.00 0.00 C ATOM 234 O CYS A 15 -7.095 -3.706 -1.206 1.00 0.00 O ATOM 235 CB CYS A 15 -9.149 -5.285 -2.549 1.00 0.00 C ATOM 236 SG CYS A 15 -7.881 -6.512 -2.137 1.00 0.00 S ATOM 0 H CYS A 15 -9.017 -2.422 -2.657 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.236 -4.489 -0.866 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.084 -5.814 -2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.865 -4.806 -3.486 1.00 0.00 H new ATOM 241 N GLY A 16 -8.307 -4.068 0.613 1.00 0.00 N ATOM 242 CA GLY A 16 -7.128 -3.862 1.501 1.00 0.00 C ATOM 243 C GLY A 16 -6.388 -5.184 1.723 1.00 0.00 C ATOM 244 O GLY A 16 -6.646 -6.162 1.050 1.00 0.00 O ATOM 0 H GLY A 16 -9.183 -4.284 1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.453 -3.131 1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.453 -3.455 2.458 1.00 0.00 H new ATOM 248 N GLY A 17 -5.485 -5.178 2.672 1.00 0.00 N ATOM 249 CA GLY A 17 -4.705 -6.419 2.967 1.00 0.00 C ATOM 250 C GLY A 17 -3.211 -6.102 3.009 1.00 0.00 C ATOM 251 O GLY A 17 -2.812 -5.041 3.444 1.00 0.00 O ATOM 0 H GLY A 17 -5.255 -4.371 3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.023 -6.839 3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.904 -7.173 2.205 1.00 0.00 H new ATOM 255 N CYS A 18 -2.414 -7.029 2.555 1.00 0.00 N ATOM 256 CA CYS A 18 -0.943 -6.789 2.558 1.00 0.00 C ATOM 257 C CYS A 18 -0.537 -6.026 1.295 1.00 0.00 C ATOM 258 O CYS A 18 -1.378 -5.549 0.558 1.00 0.00 O ATOM 259 CB CYS A 18 -0.211 -8.131 2.595 1.00 0.00 C ATOM 260 SG CYS A 18 -1.028 -9.504 3.444 1.00 0.00 S ATOM 0 H CYS A 18 -2.712 -7.932 2.186 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.678 -6.199 3.435 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.019 -8.438 1.567 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.759 -7.973 3.067 1.00 0.00 H new ATOM 265 N GLU A 19 0.741 -5.924 1.072 1.00 0.00 N ATOM 266 CA GLU A 19 1.215 -5.197 -0.140 1.00 0.00 C ATOM 267 C GLU A 19 2.564 -5.758 -0.595 1.00 0.00 C ATOM 268 O GLU A 19 2.894 -6.890 -0.307 1.00 0.00 O ATOM 269 CB GLU A 19 1.364 -3.715 0.193 1.00 0.00 C ATOM 270 CG GLU A 19 0.905 -2.882 -1.008 1.00 0.00 C ATOM 271 CD GLU A 19 -0.628 -2.820 -1.037 1.00 0.00 C ATOM 272 OE1 GLU A 19 -1.188 -2.687 0.039 1.00 0.00 O ATOM 273 OE2 GLU A 19 -1.151 -2.909 -2.135 1.00 0.00 O ATOM 0 H GLU A 19 1.474 -6.308 1.669 1.00 0.00 H new ATOM 0 HA GLU A 19 0.490 -5.325 -0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.770 -3.466 1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.402 -3.486 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.318 -1.875 -0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.279 -3.322 -1.933 1.00 0.00 H new ATOM 280 N GLY A 20 3.313 -4.948 -1.297 1.00 0.00 N ATOM 281 CA GLY A 20 4.645 -5.412 -1.787 1.00 0.00 C ATOM 282 C GLY A 20 5.770 -4.776 -0.976 1.00 0.00 C ATOM 283 O GLY A 20 5.545 -4.228 0.085 1.00 0.00 O ATOM 0 H GLY A 20 3.063 -3.992 -1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.707 -6.498 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.760 -5.156 -2.840 1.00 0.00 H new ATOM 287 N THR A 21 6.964 -4.864 -1.495 1.00 0.00 N ATOM 288 CA THR A 21 8.124 -4.267 -0.774 1.00 0.00 C ATOM 289 C THR A 21 9.167 -3.784 -1.781 1.00 0.00 C ATOM 290 O THR A 21 8.955 -3.851 -2.975 1.00 0.00 O ATOM 291 CB THR A 21 8.748 -5.319 0.146 1.00 0.00 C ATOM 292 OG1 THR A 21 9.514 -6.150 -0.720 1.00 0.00 O ATOM 293 CG2 THR A 21 7.687 -6.236 0.752 1.00 0.00 C ATOM 0 H THR A 21 7.186 -5.320 -2.380 1.00 0.00 H new ATOM 0 HA THR A 21 7.782 -3.420 -0.180 1.00 0.00 H new ATOM 0 HB THR A 21 9.304 -4.830 0.946 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.950 -6.854 -0.196 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.167 -6.970 1.399 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.984 -5.642 1.336 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.152 -6.751 -0.046 1.00 0.00 H new ATOM 301 N CYS A 22 10.277 -3.319 -1.282 1.00 0.00 N ATOM 302 CA CYS A 22 11.335 -2.827 -2.204 1.00 0.00 C ATOM 303 C CYS A 22 12.000 -4.011 -2.896 1.00 0.00 C ATOM 304 O CYS A 22 12.901 -3.845 -3.696 1.00 0.00 O ATOM 305 CB CYS A 22 12.377 -2.049 -1.403 1.00 0.00 C ATOM 306 SG CYS A 22 13.281 -0.748 -2.265 1.00 0.00 S ATOM 0 H CYS A 22 10.496 -3.259 -0.288 1.00 0.00 H new ATOM 0 HA CYS A 22 10.891 -2.175 -2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.877 -1.600 -0.545 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.103 -2.762 -1.012 1.00 0.00 H new ATOM 311 N ALA A 23 11.537 -5.187 -2.571 1.00 0.00 N ATOM 312 CA ALA A 23 12.126 -6.407 -3.189 1.00 0.00 C ATOM 313 C ALA A 23 11.033 -7.443 -3.495 1.00 0.00 C ATOM 314 O ALA A 23 11.307 -8.480 -4.066 1.00 0.00 O ATOM 315 CB ALA A 23 13.133 -7.004 -2.213 1.00 0.00 C ATOM 0 H ALA A 23 10.780 -5.355 -1.908 1.00 0.00 H new ATOM 0 HA ALA A 23 12.614 -6.137 -4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.575 -7.900 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.917 -6.275 -2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.628 -7.265 -1.283 1.00 0.00 H new ATOM 321 N GLN A 24 9.816 -7.137 -3.114 1.00 0.00 N ATOM 322 CA GLN A 24 8.699 -8.098 -3.370 1.00 0.00 C ATOM 323 C GLN A 24 7.442 -7.335 -3.795 1.00 0.00 C ATOM 324 O GLN A 24 6.585 -7.051 -2.985 1.00 0.00 O ATOM 325 CB GLN A 24 8.403 -8.880 -2.085 1.00 0.00 C ATOM 326 CG GLN A 24 9.332 -10.094 -1.999 1.00 0.00 C ATOM 327 CD GLN A 24 8.651 -11.301 -2.648 1.00 0.00 C ATOM 328 OE1 GLN A 24 8.822 -11.567 -3.821 1.00 0.00 O ATOM 329 NE2 GLN A 24 7.873 -12.055 -1.921 1.00 0.00 N ATOM 0 H GLN A 24 9.550 -6.273 -2.642 1.00 0.00 H new ATOM 0 HA GLN A 24 8.990 -8.784 -4.166 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.545 -8.238 -1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.362 -9.204 -2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.275 -9.881 -2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.568 -10.312 -0.958 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.726 -11.836 -0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.412 -12.864 -2.338 1.00 0.00 H new ATOM 338 N LYS A 25 7.360 -7.019 -5.056 1.00 0.00 N ATOM 339 CA LYS A 25 6.164 -6.270 -5.545 1.00 0.00 C ATOM 340 C LYS A 25 4.880 -6.887 -4.974 1.00 0.00 C ATOM 341 O LYS A 25 3.917 -6.190 -4.724 1.00 0.00 O ATOM 342 CB LYS A 25 6.121 -6.329 -7.071 1.00 0.00 C ATOM 343 CG LYS A 25 5.066 -5.337 -7.592 1.00 0.00 C ATOM 344 CD LYS A 25 5.581 -3.891 -7.462 1.00 0.00 C ATOM 345 CE LYS A 25 4.666 -3.112 -6.513 1.00 0.00 C ATOM 346 NZ LYS A 25 5.233 -1.763 -6.235 1.00 0.00 N ATOM 0 H LYS A 25 8.059 -7.242 -5.764 1.00 0.00 H new ATOM 0 HA LYS A 25 6.234 -5.233 -5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.100 -6.085 -7.483 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.880 -7.340 -7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.835 -5.556 -8.635 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.140 -5.452 -7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.603 -3.889 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.603 -3.411 -8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.674 -3.013 -6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.546 -3.662 -5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.474 -1.126 -5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.955 -1.837 -5.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.667 -1.384 -7.101 1.00 0.00 H new ATOM 360 N ILE A 26 4.891 -8.185 -4.799 1.00 0.00 N ATOM 361 CA ILE A 26 3.681 -8.869 -4.239 1.00 0.00 C ATOM 362 C ILE A 26 4.099 -9.810 -3.104 1.00 0.00 C ATOM 363 O ILE A 26 4.760 -10.804 -3.329 1.00 0.00 O ATOM 364 CB ILE A 26 2.999 -9.692 -5.349 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.670 -8.790 -6.568 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.716 -10.337 -4.801 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.407 -7.943 -6.313 1.00 0.00 C ATOM 0 H ILE A 26 5.677 -8.797 -5.017 1.00 0.00 H new ATOM 0 HA ILE A 26 2.989 -8.119 -3.856 1.00 0.00 H new ATOM 0 HB ILE A 26 3.680 -10.477 -5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.515 -8.134 -6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.523 -9.410 -7.452 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.236 -10.918 -5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.966 -10.993 -3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.035 -9.558 -4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.203 -7.322 -7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.558 -8.602 -6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.566 -7.306 -5.443 1.00 0.00 H new ATOM 379 N VAL A 27 3.704 -9.476 -1.905 1.00 0.00 N ATOM 380 CA VAL A 27 4.072 -10.340 -0.747 1.00 0.00 C ATOM 381 C VAL A 27 3.051 -11.513 -0.621 1.00 0.00 C ATOM 382 O VAL A 27 1.861 -11.284 -0.695 1.00 0.00 O ATOM 383 CB VAL A 27 4.023 -9.490 0.526 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.561 -9.229 0.901 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.709 -10.242 1.669 1.00 0.00 C ATOM 0 H VAL A 27 3.148 -8.651 -1.679 1.00 0.00 H new ATOM 0 HA VAL A 27 5.072 -10.750 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 27 4.535 -8.544 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.520 -8.624 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.066 -8.698 0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.055 -10.179 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.674 -9.637 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.194 -11.187 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.748 -10.438 1.404 1.00 0.00 H new ATOM 395 N PRO A 28 3.525 -12.754 -0.435 1.00 0.00 N ATOM 396 CA PRO A 28 2.605 -13.894 -0.300 1.00 0.00 C ATOM 397 C PRO A 28 1.648 -13.679 0.879 1.00 0.00 C ATOM 398 O PRO A 28 2.075 -13.449 1.994 1.00 0.00 O ATOM 399 CB PRO A 28 3.499 -15.114 -0.046 1.00 0.00 C ATOM 400 CG PRO A 28 4.975 -14.620 -0.047 1.00 0.00 C ATOM 401 CD PRO A 28 4.958 -13.111 -0.349 1.00 0.00 C ATOM 0 HA PRO A 28 1.988 -14.020 -1.190 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.251 -15.579 0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.347 -15.868 -0.818 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.444 -14.813 0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.558 -15.155 -0.797 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.459 -12.546 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.477 -12.889 -1.282 1.00 0.00 H new ATOM 409 N CYS A 29 0.373 -13.757 0.609 1.00 0.00 N ATOM 410 CA CYS A 29 -0.621 -13.558 1.706 1.00 0.00 C ATOM 411 C CYS A 29 -1.918 -14.311 1.396 1.00 0.00 C ATOM 412 O CYS A 29 -2.667 -13.929 0.519 1.00 0.00 O ATOM 413 CB CYS A 29 -0.923 -12.066 1.843 1.00 0.00 C ATOM 414 SG CYS A 29 0.106 -11.111 2.985 1.00 0.00 S ATOM 0 H CYS A 29 -0.022 -13.948 -0.312 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.205 -13.944 2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.840 -11.613 0.855 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.962 -11.960 2.156 1.00 0.00 H new ATOM 419 N THR A 30 -2.155 -15.367 2.125 1.00 0.00 N ATOM 420 CA THR A 30 -3.400 -16.153 1.890 1.00 0.00 C ATOM 421 C THR A 30 -4.628 -15.271 2.138 1.00 0.00 C ATOM 422 O THR A 30 -5.750 -15.688 1.925 1.00 0.00 O ATOM 423 CB THR A 30 -3.429 -17.349 2.847 1.00 0.00 C ATOM 424 OG1 THR A 30 -3.438 -16.771 4.149 1.00 0.00 O ATOM 425 CG2 THR A 30 -2.138 -18.161 2.775 1.00 0.00 C ATOM 0 H THR A 30 -1.548 -15.717 2.866 1.00 0.00 H new ATOM 0 HA THR A 30 -3.416 -16.505 0.859 1.00 0.00 H new ATOM 0 HB THR A 30 -4.275 -17.994 2.608 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.458 -17.482 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.197 -19.000 3.468 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.000 -18.537 1.761 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.294 -17.527 3.045 1.00 0.00 H new ATOM 433 N ARG A 31 -4.385 -14.068 2.583 1.00 0.00 N ATOM 434 CA ARG A 31 -5.524 -13.141 2.853 1.00 0.00 C ATOM 435 C ARG A 31 -6.378 -12.977 1.592 1.00 0.00 C ATOM 436 O ARG A 31 -5.950 -13.303 0.503 1.00 0.00 O ATOM 437 CB ARG A 31 -4.973 -11.778 3.273 1.00 0.00 C ATOM 438 CG ARG A 31 -3.969 -11.968 4.416 1.00 0.00 C ATOM 439 CD ARG A 31 -4.678 -12.595 5.620 1.00 0.00 C ATOM 440 NE ARG A 31 -4.042 -12.089 6.870 1.00 0.00 N ATOM 441 CZ ARG A 31 -4.423 -12.567 8.022 1.00 0.00 C ATOM 442 NH1 ARG A 31 -4.202 -13.825 8.288 1.00 0.00 N ATOM 443 NH2 ARG A 31 -5.012 -11.770 8.872 1.00 0.00 N ATOM 0 H ARG A 31 -3.457 -13.688 2.770 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.142 -13.554 3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.489 -11.292 2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.787 -11.127 3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.148 -12.607 4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.534 -11.008 4.696 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.738 -12.342 5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.609 -13.682 5.575 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.315 -11.375 6.825 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.738 -14.418 7.600 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.493 -14.216 9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.167 -10.791 8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.317 -12.126 9.778 1.00 0.00 H new ATOM 457 N GLU A 32 -7.570 -12.469 1.768 1.00 0.00 N ATOM 458 CA GLU A 32 -8.469 -12.273 0.594 1.00 0.00 C ATOM 459 C GLU A 32 -8.448 -10.806 0.158 1.00 0.00 C ATOM 460 O GLU A 32 -7.832 -10.457 -0.829 1.00 0.00 O ATOM 461 CB GLU A 32 -9.891 -12.668 0.983 1.00 0.00 C ATOM 462 CG GLU A 32 -9.914 -14.151 1.360 1.00 0.00 C ATOM 463 CD GLU A 32 -10.498 -14.308 2.765 1.00 0.00 C ATOM 464 OE1 GLU A 32 -9.854 -13.817 3.677 1.00 0.00 O ATOM 465 OE2 GLU A 32 -11.555 -14.911 2.848 1.00 0.00 O ATOM 0 H GLU A 32 -7.957 -12.183 2.667 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.125 -12.894 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.234 -12.062 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.573 -12.480 0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.512 -14.711 0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.905 -14.562 1.325 1.00 0.00 H new ATOM 472 N CYS A 33 -9.123 -9.982 0.905 1.00 0.00 N ATOM 473 CA CYS A 33 -9.159 -8.533 0.553 1.00 0.00 C ATOM 474 C CYS A 33 -9.917 -7.747 1.627 1.00 0.00 C ATOM 475 O CYS A 33 -11.125 -7.637 1.572 1.00 0.00 O ATOM 476 CB CYS A 33 -9.868 -8.362 -0.791 1.00 0.00 C ATOM 477 SG CYS A 33 -8.836 -8.288 -2.278 1.00 0.00 S ATOM 0 H CYS A 33 -9.649 -10.244 1.739 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.139 -8.155 0.489 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.569 -9.188 -0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.459 -7.447 -0.746 1.00 0.00 H new ATOM 482 N LYS A 34 -9.196 -7.223 2.586 1.00 0.00 N ATOM 483 CA LYS A 34 -9.868 -6.440 3.655 1.00 0.00 C ATOM 484 C LYS A 34 -10.893 -5.480 3.013 1.00 0.00 C ATOM 485 O LYS A 34 -10.776 -5.148 1.850 1.00 0.00 O ATOM 486 CB LYS A 34 -8.805 -5.635 4.410 1.00 0.00 C ATOM 487 CG LYS A 34 -8.415 -6.362 5.705 1.00 0.00 C ATOM 488 CD LYS A 34 -7.690 -7.669 5.367 1.00 0.00 C ATOM 489 CE LYS A 34 -8.453 -8.843 5.989 1.00 0.00 C ATOM 490 NZ LYS A 34 -7.829 -10.137 5.595 1.00 0.00 N ATOM 0 H LYS A 34 -8.183 -7.304 2.671 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.386 -7.106 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.925 -5.499 3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.187 -4.641 4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.771 -5.725 6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.305 -6.572 6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.625 -7.794 4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.669 -7.641 5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.455 -8.749 7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.494 -8.821 5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.358 -10.923 6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.850 -10.231 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.843 -10.162 5.925 1.00 0.00 H new ATOM 504 N PRO A 35 -11.884 -5.047 3.780 1.00 0.00 N ATOM 505 CA PRO A 35 -12.906 -4.138 3.249 1.00 0.00 C ATOM 506 C PRO A 35 -12.252 -2.870 2.647 1.00 0.00 C ATOM 507 O PRO A 35 -11.111 -2.566 2.933 1.00 0.00 O ATOM 508 CB PRO A 35 -13.784 -3.770 4.452 1.00 0.00 C ATOM 509 CG PRO A 35 -13.225 -4.538 5.689 1.00 0.00 C ATOM 510 CD PRO A 35 -12.055 -5.411 5.198 1.00 0.00 C ATOM 0 HA PRO A 35 -13.483 -4.602 2.449 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.764 -2.694 4.627 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.823 -4.044 4.267 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.888 -3.839 6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -14.001 -5.155 6.141 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -11.148 -5.214 5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.279 -6.472 5.310 1.00 0.00 H new ATOM 518 N PRO A 36 -13.001 -2.154 1.818 1.00 0.00 N ATOM 519 CA PRO A 36 -12.498 -0.921 1.188 1.00 0.00 C ATOM 520 C PRO A 36 -12.058 0.105 2.241 1.00 0.00 C ATOM 521 O PRO A 36 -12.758 0.348 3.203 1.00 0.00 O ATOM 522 CB PRO A 36 -13.685 -0.366 0.394 1.00 0.00 C ATOM 523 CG PRO A 36 -14.878 -1.344 0.583 1.00 0.00 C ATOM 524 CD PRO A 36 -14.384 -2.512 1.451 1.00 0.00 C ATOM 0 HA PRO A 36 -11.628 -1.124 0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.948 0.631 0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.430 -0.274 -0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.716 -0.838 1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.233 -1.707 -0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.008 -2.638 2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.416 -3.453 0.902 1.00 0.00 H new ATOM 532 N ARG A 37 -10.906 0.686 2.029 1.00 0.00 N ATOM 533 CA ARG A 37 -10.399 1.709 3.001 1.00 0.00 C ATOM 534 C ARG A 37 -9.093 2.322 2.483 1.00 0.00 C ATOM 535 O ARG A 37 -8.495 1.816 1.557 1.00 0.00 O ATOM 536 CB ARG A 37 -10.135 1.044 4.358 1.00 0.00 C ATOM 537 CG ARG A 37 -10.358 2.071 5.470 1.00 0.00 C ATOM 538 CD ARG A 37 -10.010 1.435 6.817 1.00 0.00 C ATOM 539 NE ARG A 37 -8.624 0.892 6.752 1.00 0.00 N ATOM 540 CZ ARG A 37 -8.341 -0.218 7.375 1.00 0.00 C ATOM 541 NH1 ARG A 37 -9.138 -1.241 7.235 1.00 0.00 N ATOM 542 NH2 ARG A 37 -7.269 -0.267 8.119 1.00 0.00 N ATOM 0 H ARG A 37 -10.296 0.501 1.233 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.149 2.492 3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.800 0.191 4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.115 0.662 4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.738 2.951 5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.395 2.406 5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.088 2.174 7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.716 0.638 7.051 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.903 1.384 6.225 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.967 -1.165 6.646 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.932 -2.117 7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.670 0.554 8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.031 -1.126 8.614 1.00 0.00 H new ATOM 556 N CYS A 38 -8.688 3.409 3.082 1.00 0.00 N ATOM 557 CA CYS A 38 -7.405 4.050 2.649 1.00 0.00 C ATOM 558 C CYS A 38 -6.228 3.124 2.981 1.00 0.00 C ATOM 559 O CYS A 38 -6.159 2.576 4.063 1.00 0.00 O ATOM 560 CB CYS A 38 -7.234 5.379 3.384 1.00 0.00 C ATOM 561 SG CYS A 38 -8.071 6.824 2.686 1.00 0.00 S ATOM 0 H CYS A 38 -9.179 3.879 3.843 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.430 4.227 1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.585 5.247 4.407 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.168 5.600 3.439 1.00 0.00 H new ATOM 566 N GLU A 39 -5.323 2.964 2.046 1.00 0.00 N ATOM 567 CA GLU A 39 -4.159 2.063 2.317 1.00 0.00 C ATOM 568 C GLU A 39 -3.156 2.097 1.158 1.00 0.00 C ATOM 569 O GLU A 39 -3.338 2.809 0.191 1.00 0.00 O ATOM 570 CB GLU A 39 -4.671 0.636 2.502 1.00 0.00 C ATOM 571 CG GLU A 39 -4.268 0.135 3.891 1.00 0.00 C ATOM 572 CD GLU A 39 -4.835 -1.270 4.105 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.487 -2.122 3.305 1.00 0.00 O ATOM 574 OE2 GLU A 39 -5.583 -1.412 5.058 1.00 0.00 O ATOM 0 H GLU A 39 -5.337 3.407 1.127 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.652 2.406 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.755 0.608 2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.256 -0.015 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.182 0.120 3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.644 0.812 4.658 1.00 0.00 H new ATOM 581 N CYS A 40 -2.117 1.313 1.285 1.00 0.00 N ATOM 582 CA CYS A 40 -1.076 1.276 0.213 1.00 0.00 C ATOM 583 C CYS A 40 -1.658 0.701 -1.086 1.00 0.00 C ATOM 584 O CYS A 40 -2.730 0.127 -1.087 1.00 0.00 O ATOM 585 CB CYS A 40 0.081 0.399 0.686 1.00 0.00 C ATOM 586 SG CYS A 40 1.735 0.807 0.084 1.00 0.00 S ATOM 0 H CYS A 40 -1.944 0.699 2.081 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.727 2.290 0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.102 0.429 1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.137 -0.630 0.399 1.00 0.00 H new ATOM 591 N ILE A 41 -0.932 0.871 -2.166 1.00 0.00 N ATOM 592 CA ILE A 41 -1.421 0.348 -3.484 1.00 0.00 C ATOM 593 C ILE A 41 -0.267 -0.327 -4.250 1.00 0.00 C ATOM 594 O ILE A 41 0.573 0.340 -4.819 1.00 0.00 O ATOM 595 CB ILE A 41 -1.962 1.518 -4.320 1.00 0.00 C ATOM 596 CG1 ILE A 41 -2.986 2.308 -3.498 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.644 0.973 -5.577 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.293 3.513 -2.849 1.00 0.00 C ATOM 0 H ILE A 41 -0.029 1.345 -2.193 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.209 -0.384 -3.307 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.136 2.171 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.802 2.644 -4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.425 1.669 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.028 1.802 -6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.922 0.408 -6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.468 0.320 -5.290 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.018 4.078 -2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.492 3.164 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.875 4.154 -3.625 1.00 0.00 H new ATOM 610 N ALA A 42 -0.258 -1.635 -4.255 1.00 0.00 N ATOM 611 CA ALA A 42 0.836 -2.358 -4.979 1.00 0.00 C ATOM 612 C ALA A 42 0.610 -2.299 -6.495 1.00 0.00 C ATOM 613 O ALA A 42 1.532 -2.079 -7.255 1.00 0.00 O ATOM 614 CB ALA A 42 0.857 -3.822 -4.535 1.00 0.00 C ATOM 0 H ALA A 42 -0.949 -2.229 -3.797 1.00 0.00 H new ATOM 0 HA ALA A 42 1.786 -1.879 -4.743 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.652 -4.350 -5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.035 -3.874 -3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.102 -4.286 -4.767 1.00 0.00 H new ATOM 620 N SER A 43 -0.615 -2.495 -6.900 1.00 0.00 N ATOM 621 CA SER A 43 -0.918 -2.470 -8.361 1.00 0.00 C ATOM 622 C SER A 43 -0.512 -1.128 -8.972 1.00 0.00 C ATOM 623 O SER A 43 -0.614 -0.936 -10.168 1.00 0.00 O ATOM 624 CB SER A 43 -2.417 -2.687 -8.564 1.00 0.00 C ATOM 625 OG SER A 43 -2.947 -2.722 -7.247 1.00 0.00 O ATOM 0 H SER A 43 -1.413 -2.670 -6.290 1.00 0.00 H new ATOM 0 HA SER A 43 -0.353 -3.262 -8.853 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.860 -1.882 -9.150 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.616 -3.616 -9.098 1.00 0.00 H new ATOM 0 HG SER A 43 -3.917 -2.858 -7.288 1.00 0.00 H new ATOM 631 N ALA A 44 -0.055 -0.227 -8.139 1.00 0.00 N ATOM 632 CA ALA A 44 0.359 1.112 -8.662 1.00 0.00 C ATOM 633 C ALA A 44 1.887 1.207 -8.734 1.00 0.00 C ATOM 634 O ALA A 44 2.432 1.688 -9.708 1.00 0.00 O ATOM 635 CB ALA A 44 -0.172 2.194 -7.732 1.00 0.00 C ATOM 0 H ALA A 44 0.049 -0.357 -7.133 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.048 1.246 -9.664 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.126 3.174 -8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.260 2.136 -7.690 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.237 2.048 -6.732 1.00 0.00 H new ATOM 641 N GLY A 45 2.544 0.743 -7.700 1.00 0.00 N ATOM 642 CA GLY A 45 4.039 0.796 -7.688 1.00 0.00 C ATOM 643 C GLY A 45 4.562 1.288 -6.332 1.00 0.00 C ATOM 644 O GLY A 45 5.656 1.814 -6.243 1.00 0.00 O ATOM 0 H GLY A 45 2.115 0.333 -6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.443 -0.194 -7.900 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.389 1.459 -8.479 1.00 0.00 H new ATOM 648 N PHE A 46 3.772 1.111 -5.304 1.00 0.00 N ATOM 649 CA PHE A 46 4.223 1.560 -3.948 1.00 0.00 C ATOM 650 C PHE A 46 4.814 0.373 -3.175 1.00 0.00 C ATOM 651 O PHE A 46 4.633 -0.767 -3.553 1.00 0.00 O ATOM 652 CB PHE A 46 3.028 2.123 -3.177 1.00 0.00 C ATOM 653 CG PHE A 46 2.629 3.478 -3.771 1.00 0.00 C ATOM 654 CD1 PHE A 46 1.783 3.540 -4.863 1.00 0.00 C ATOM 655 CD2 PHE A 46 3.104 4.658 -3.222 1.00 0.00 C ATOM 656 CE1 PHE A 46 1.420 4.761 -5.398 1.00 0.00 C ATOM 657 CE2 PHE A 46 2.736 5.876 -3.763 1.00 0.00 C ATOM 658 CZ PHE A 46 1.896 5.925 -4.847 1.00 0.00 C ATOM 0 H PHE A 46 2.847 0.682 -5.340 1.00 0.00 H new ATOM 0 HA PHE A 46 4.985 2.331 -4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.189 1.430 -3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.282 2.237 -2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.404 2.628 -5.300 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.764 4.626 -2.368 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.760 4.800 -6.252 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.111 6.792 -3.331 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.610 6.878 -5.266 1.00 0.00 H new ATOM 668 N VAL A 47 5.509 0.667 -2.108 1.00 0.00 N ATOM 669 CA VAL A 47 6.117 -0.439 -1.300 1.00 0.00 C ATOM 670 C VAL A 47 6.071 -0.102 0.191 1.00 0.00 C ATOM 671 O VAL A 47 5.858 1.032 0.564 1.00 0.00 O ATOM 672 CB VAL A 47 7.572 -0.632 -1.721 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.612 -1.282 -3.100 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.268 0.728 -1.783 1.00 0.00 C ATOM 0 H VAL A 47 5.682 1.611 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 47 5.549 -1.353 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 47 8.081 -1.269 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.649 -1.422 -3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.111 -2.249 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.105 -0.640 -3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.307 0.592 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.761 1.364 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.233 1.200 -0.801 1.00 0.00 H new ATOM 684 N ARG A 48 6.276 -1.103 1.010 1.00 0.00 N ATOM 685 CA ARG A 48 6.255 -0.867 2.484 1.00 0.00 C ATOM 686 C ARG A 48 7.679 -0.835 3.041 1.00 0.00 C ATOM 687 O ARG A 48 8.447 -1.759 2.852 1.00 0.00 O ATOM 688 CB ARG A 48 5.476 -1.992 3.160 1.00 0.00 C ATOM 689 CG ARG A 48 4.118 -2.142 2.478 1.00 0.00 C ATOM 690 CD ARG A 48 3.229 -3.045 3.334 1.00 0.00 C ATOM 691 NE ARG A 48 2.828 -2.302 4.562 1.00 0.00 N ATOM 692 CZ ARG A 48 1.560 -2.122 4.815 1.00 0.00 C ATOM 693 NH1 ARG A 48 0.791 -3.165 4.957 1.00 0.00 N ATOM 694 NH2 ARG A 48 1.105 -0.903 4.918 1.00 0.00 N ATOM 0 H ARG A 48 6.456 -2.065 0.724 1.00 0.00 H new ATOM 0 HA ARG A 48 5.778 0.093 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.034 -2.926 3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.342 -1.773 4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.651 -1.166 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.241 -2.569 1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.346 -3.348 2.771 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.764 -3.956 3.602 1.00 0.00 H new ATOM 0 HE ARG A 48 3.537 -1.938 5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.182 -4.103 4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.202 -3.043 5.155 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.737 -0.111 4.801 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.117 -0.742 5.115 1.00 0.00 H new ATOM 708 N ASP A 49 8.003 0.230 3.721 1.00 0.00 N ATOM 709 CA ASP A 49 9.368 0.340 4.306 1.00 0.00 C ATOM 710 C ASP A 49 9.432 -0.437 5.620 1.00 0.00 C ATOM 711 O ASP A 49 8.436 -0.575 6.307 1.00 0.00 O ATOM 712 CB ASP A 49 9.686 1.807 4.571 1.00 0.00 C ATOM 713 CG ASP A 49 11.204 1.996 4.606 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.762 1.688 5.646 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.718 2.436 3.591 1.00 0.00 O ATOM 0 H ASP A 49 7.386 1.023 3.896 1.00 0.00 H new ATOM 0 HA ASP A 49 10.094 -0.074 3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.248 2.432 3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.247 2.121 5.518 1.00 0.00 H new ATOM 720 N ALA A 50 10.605 -0.915 5.945 1.00 0.00 N ATOM 721 CA ALA A 50 10.763 -1.694 7.206 1.00 0.00 C ATOM 722 C ALA A 50 10.022 -1.000 8.342 1.00 0.00 C ATOM 723 O ALA A 50 9.597 -1.630 9.290 1.00 0.00 O ATOM 724 CB ALA A 50 12.249 -1.792 7.550 1.00 0.00 C ATOM 0 H ALA A 50 11.456 -0.800 5.394 1.00 0.00 H new ATOM 0 HA ALA A 50 10.348 -2.693 7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.372 -2.361 8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.778 -2.295 6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.658 -0.791 7.684 1.00 0.00 H new ATOM 730 N GLN A 51 9.883 0.286 8.221 1.00 0.00 N ATOM 731 CA GLN A 51 9.166 1.047 9.282 1.00 0.00 C ATOM 732 C GLN A 51 7.655 0.943 9.061 1.00 0.00 C ATOM 733 O GLN A 51 6.899 1.778 9.516 1.00 0.00 O ATOM 734 CB GLN A 51 9.597 2.510 9.224 1.00 0.00 C ATOM 735 CG GLN A 51 11.108 2.577 8.987 1.00 0.00 C ATOM 736 CD GLN A 51 11.819 1.683 10.004 1.00 0.00 C ATOM 737 OE1 GLN A 51 12.684 0.900 9.661 1.00 0.00 O ATOM 738 NE2 GLN A 51 11.489 1.768 11.264 1.00 0.00 N ATOM 0 H GLN A 51 10.231 0.843 7.440 1.00 0.00 H new ATOM 0 HA GLN A 51 9.410 0.632 10.260 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.067 3.027 8.424 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.339 3.015 10.155 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.343 2.253 7.973 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.457 3.605 9.082 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.764 2.423 11.558 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.956 1.180 11.954 1.00 0.00 H new ATOM 747 N GLY A 52 7.249 -0.085 8.366 1.00 0.00 N ATOM 748 CA GLY A 52 5.796 -0.262 8.098 1.00 0.00 C ATOM 749 C GLY A 52 5.218 1.011 7.488 1.00 0.00 C ATOM 750 O GLY A 52 4.089 1.373 7.758 1.00 0.00 O ATOM 0 H GLY A 52 7.857 -0.805 7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.643 -1.102 7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.274 -0.501 9.024 1.00 0.00 H new ATOM 754 N ASN A 53 6.011 1.663 6.673 1.00 0.00 N ATOM 755 CA ASN A 53 5.534 2.934 6.030 1.00 0.00 C ATOM 756 C ASN A 53 5.390 2.753 4.516 1.00 0.00 C ATOM 757 O ASN A 53 6.340 2.432 3.832 1.00 0.00 O ATOM 758 CB ASN A 53 6.544 4.044 6.310 1.00 0.00 C ATOM 759 CG ASN A 53 6.245 4.665 7.673 1.00 0.00 C ATOM 760 OD1 ASN A 53 6.754 4.120 8.741 1.00 0.00 O flip ATOM 761 ND2 ASN A 53 5.542 5.651 7.778 1.00 0.00 N flip ATOM 0 H ASN A 53 6.958 1.377 6.425 1.00 0.00 H new ATOM 0 HA ASN A 53 4.560 3.195 6.445 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.557 3.642 6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.491 4.805 5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.141 6.082 6.945 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.353 6.047 8.699 1.00 0.00 H new ATOM 768 N CYS A 54 4.201 2.972 4.024 1.00 0.00 N ATOM 769 CA CYS A 54 3.978 2.819 2.556 1.00 0.00 C ATOM 770 C CYS A 54 4.587 4.002 1.801 1.00 0.00 C ATOM 771 O CYS A 54 4.141 5.125 1.938 1.00 0.00 O ATOM 772 CB CYS A 54 2.477 2.756 2.279 1.00 0.00 C ATOM 773 SG CYS A 54 1.955 2.760 0.545 1.00 0.00 S ATOM 0 H CYS A 54 3.382 3.247 4.567 1.00 0.00 H new ATOM 0 HA CYS A 54 4.457 1.901 2.216 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.084 1.854 2.748 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.006 3.604 2.776 1.00 0.00 H new ATOM 778 N ILE A 55 5.599 3.722 1.019 1.00 0.00 N ATOM 779 CA ILE A 55 6.257 4.813 0.240 1.00 0.00 C ATOM 780 C ILE A 55 6.524 4.355 -1.197 1.00 0.00 C ATOM 781 O ILE A 55 6.655 3.177 -1.464 1.00 0.00 O ATOM 782 CB ILE A 55 7.581 5.186 0.915 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.481 3.948 0.990 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.302 5.691 2.333 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.786 4.320 1.698 1.00 0.00 C ATOM 0 H ILE A 55 5.995 2.791 0.887 1.00 0.00 H new ATOM 0 HA ILE A 55 5.597 5.680 0.214 1.00 0.00 H new ATOM 0 HB ILE A 55 8.077 5.966 0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.975 3.148 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.690 3.574 -0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.242 5.957 2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.657 6.568 2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.808 4.907 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.432 3.444 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.292 5.107 1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.565 4.674 2.705 1.00 0.00 H new ATOM 797 N LYS A 56 6.596 5.301 -2.090 1.00 0.00 N ATOM 798 CA LYS A 56 6.851 4.951 -3.520 1.00 0.00 C ATOM 799 C LYS A 56 8.077 4.038 -3.640 1.00 0.00 C ATOM 800 O LYS A 56 8.906 3.986 -2.753 1.00 0.00 O ATOM 801 CB LYS A 56 7.105 6.236 -4.310 1.00 0.00 C ATOM 802 CG LYS A 56 6.347 7.391 -3.654 1.00 0.00 C ATOM 803 CD LYS A 56 6.084 8.479 -4.697 1.00 0.00 C ATOM 804 CE LYS A 56 6.034 9.840 -4.000 1.00 0.00 C ATOM 805 NZ LYS A 56 5.086 9.804 -2.852 1.00 0.00 N ATOM 0 H LYS A 56 6.490 6.297 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 56 5.981 4.427 -3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.172 6.455 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.779 6.112 -5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.405 7.034 -3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.927 7.798 -2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.869 8.473 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.143 8.286 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.029 10.112 -3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.726 10.608 -4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.869 10.775 -2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.208 9.327 -3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.518 9.285 -2.061 1.00 0.00 H new ATOM 819 N PHE A 57 8.164 3.337 -4.741 1.00 0.00 N ATOM 820 CA PHE A 57 9.333 2.428 -4.945 1.00 0.00 C ATOM 821 C PHE A 57 10.616 3.250 -5.119 1.00 0.00 C ATOM 822 O PHE A 57 11.661 2.886 -4.621 1.00 0.00 O ATOM 823 CB PHE A 57 9.097 1.586 -6.199 1.00 0.00 C ATOM 824 CG PHE A 57 9.571 0.151 -5.949 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.890 -0.105 -5.615 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.687 -0.911 -6.055 1.00 0.00 C ATOM 827 CE1 PHE A 57 11.316 -1.399 -5.391 1.00 0.00 C ATOM 828 CE2 PHE A 57 9.118 -2.203 -5.830 1.00 0.00 C ATOM 829 CZ PHE A 57 10.430 -2.445 -5.499 1.00 0.00 C ATOM 0 H PHE A 57 7.484 3.353 -5.501 1.00 0.00 H new ATOM 0 HA PHE A 57 9.442 1.781 -4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.038 1.590 -6.459 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.634 2.015 -7.045 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.590 0.713 -5.529 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.655 -0.727 -6.315 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.347 -1.590 -5.131 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.423 -3.025 -5.914 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.765 -3.457 -5.324 1.00 0.00 H new ATOM 839 N GLU A 58 10.507 4.343 -5.826 1.00 0.00 N ATOM 840 CA GLU A 58 11.712 5.199 -6.044 1.00 0.00 C ATOM 841 C GLU A 58 12.101 5.909 -4.743 1.00 0.00 C ATOM 842 O GLU A 58 13.195 6.424 -4.617 1.00 0.00 O ATOM 843 CB GLU A 58 11.400 6.237 -7.119 1.00 0.00 C ATOM 844 CG GLU A 58 12.513 6.224 -8.168 1.00 0.00 C ATOM 845 CD GLU A 58 12.261 7.337 -9.187 1.00 0.00 C ATOM 846 OE1 GLU A 58 11.501 7.071 -10.102 1.00 0.00 O ATOM 847 OE2 GLU A 58 12.845 8.391 -8.992 1.00 0.00 O ATOM 0 H GLU A 58 9.646 4.679 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 58 12.544 4.572 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.440 6.017 -7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.317 7.228 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.482 6.366 -7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.545 5.257 -8.669 1.00 0.00 H new ATOM 854 N ASP A 59 11.197 5.922 -3.802 1.00 0.00 N ATOM 855 CA ASP A 59 11.498 6.594 -2.504 1.00 0.00 C ATOM 856 C ASP A 59 12.183 5.607 -1.554 1.00 0.00 C ATOM 857 O ASP A 59 12.202 5.805 -0.356 1.00 0.00 O ATOM 858 CB ASP A 59 10.193 7.083 -1.878 1.00 0.00 C ATOM 859 CG ASP A 59 9.631 8.233 -2.715 1.00 0.00 C ATOM 860 OD1 ASP A 59 9.782 8.147 -3.923 1.00 0.00 O ATOM 861 OD2 ASP A 59 9.082 9.133 -2.100 1.00 0.00 O ATOM 0 H ASP A 59 10.271 5.501 -3.873 1.00 0.00 H new ATOM 0 HA ASP A 59 12.163 7.440 -2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.472 6.267 -1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.369 7.415 -0.855 1.00 0.00 H new ATOM 866 N CYS A 60 12.729 4.565 -2.115 1.00 0.00 N ATOM 867 CA CYS A 60 13.415 3.549 -1.265 1.00 0.00 C ATOM 868 C CYS A 60 14.825 4.049 -0.877 1.00 0.00 C ATOM 869 O CYS A 60 15.370 4.919 -1.526 1.00 0.00 O ATOM 870 CB CYS A 60 13.531 2.254 -2.060 1.00 0.00 C ATOM 871 SG CYS A 60 12.358 0.941 -1.666 1.00 0.00 S ATOM 0 H CYS A 60 12.731 4.372 -3.117 1.00 0.00 H new ATOM 0 HA CYS A 60 12.842 3.381 -0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.426 2.496 -3.118 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.538 1.861 -1.921 1.00 0.00 H new ATOM 876 N PRO A 61 15.393 3.483 0.182 1.00 0.00 N ATOM 877 CA PRO A 61 16.736 3.876 0.632 1.00 0.00 C ATOM 878 C PRO A 61 17.758 3.724 -0.502 1.00 0.00 C ATOM 879 O PRO A 61 17.484 3.097 -1.507 1.00 0.00 O ATOM 880 CB PRO A 61 17.072 2.924 1.786 1.00 0.00 C ATOM 881 CG PRO A 61 15.848 1.979 1.983 1.00 0.00 C ATOM 882 CD PRO A 61 14.756 2.428 0.994 1.00 0.00 C ATOM 0 HA PRO A 61 16.766 4.921 0.942 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.969 2.348 1.559 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.275 3.484 2.699 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.130 0.942 1.799 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.483 2.033 3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 61 14.421 1.598 0.372 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.879 2.808 1.519 1.00 0.00 H new ATOM 890 N LYS A 62 18.915 4.299 -0.313 1.00 0.00 N ATOM 891 CA LYS A 62 19.967 4.199 -1.368 1.00 0.00 C ATOM 892 C LYS A 62 20.949 3.074 -1.029 1.00 0.00 C ATOM 893 O LYS A 62 22.030 3.110 -1.592 1.00 0.00 O ATOM 894 CB LYS A 62 20.722 5.525 -1.448 1.00 0.00 C ATOM 895 CG LYS A 62 19.715 6.667 -1.603 1.00 0.00 C ATOM 896 CD LYS A 62 19.745 7.537 -0.344 1.00 0.00 C ATOM 897 CE LYS A 62 18.738 8.679 -0.499 1.00 0.00 C ATOM 898 NZ LYS A 62 19.446 9.983 -0.635 1.00 0.00 N ATOM 899 OXT LYS A 62 20.562 2.241 -0.225 1.00 0.00 O ATOM 0 H LYS A 62 19.177 4.829 0.518 1.00 0.00 H new ATOM 0 HA LYS A 62 19.496 3.980 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.321 5.671 -0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 62 21.411 5.515 -2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 62 19.959 7.267 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.713 6.266 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.501 6.937 0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.747 7.938 -0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.113 8.505 -1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.075 8.707 0.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.749 10.747 -0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.024 10.154 0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 20.061 9.958 -1.474 1.00 0.00 H new TER 913 LYS A 62