USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=11 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 Single : A 1 GLU N :NH3+ -139:sc= 0.00338 (180deg=-0.214) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= -0.326 (180deg=-0.899) USER MOD Single : A 9 ASN : amide:sc= -2.36 K(o=-2.4,f=-3.5!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 65:sc= 0.24 USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= -0.236 (180deg=-0.984) USER MOD Single : A 21 THR OG1 : rot 170:sc= -0.6 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.0106 F(o=-1.6,f=-0.011) USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -0.214 (180deg=-0.859) 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 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.55 F(o=-6.3!,f=-1.5) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.863 10.864 -7.827 1.00 0.00 N ATOM 2 CA GLU A 1 -15.102 9.601 -8.050 1.00 0.00 C ATOM 3 C GLU A 1 -14.836 8.922 -6.704 1.00 0.00 C ATOM 4 O GLU A 1 -15.720 8.807 -5.879 1.00 0.00 O ATOM 5 CB GLU A 1 -13.769 9.892 -8.740 1.00 0.00 C ATOM 6 CG GLU A 1 -14.035 10.644 -10.045 1.00 0.00 C ATOM 7 CD GLU A 1 -12.861 10.425 -11.004 1.00 0.00 C ATOM 8 OE1 GLU A 1 -11.790 10.901 -10.666 1.00 0.00 O ATOM 9 OE2 GLU A 1 -13.103 9.793 -12.020 1.00 0.00 O ATOM 0 H1 GLU A 1 -16.596 10.961 -8.558 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.311 10.839 -6.889 1.00 0.00 H new ATOM 0 H3 GLU A 1 -15.213 11.674 -7.879 1.00 0.00 H new ATOM 0 HA GLU A 1 -15.694 8.945 -8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -13.129 10.486 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -13.240 8.961 -8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -14.961 10.291 -10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -14.163 11.708 -9.845 1.00 0.00 H new ATOM 18 N ALA A 2 -13.622 8.486 -6.511 1.00 0.00 N ATOM 19 CA ALA A 2 -13.282 7.814 -5.222 1.00 0.00 C ATOM 20 C ALA A 2 -12.841 8.853 -4.188 1.00 0.00 C ATOM 21 O ALA A 2 -12.097 9.763 -4.496 1.00 0.00 O ATOM 22 CB ALA A 2 -12.148 6.817 -5.460 1.00 0.00 C ATOM 0 H ALA A 2 -12.857 8.564 -7.181 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.161 7.292 -4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.895 6.323 -4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.466 6.071 -6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.273 7.345 -5.839 1.00 0.00 H new ATOM 28 N GLU A 3 -13.309 8.695 -2.980 1.00 0.00 N ATOM 29 CA GLU A 3 -12.928 9.668 -1.914 1.00 0.00 C ATOM 30 C GLU A 3 -11.422 9.596 -1.644 1.00 0.00 C ATOM 31 O GLU A 3 -10.991 8.997 -0.678 1.00 0.00 O ATOM 32 CB GLU A 3 -13.689 9.330 -0.633 1.00 0.00 C ATOM 33 CG GLU A 3 -15.085 9.952 -0.699 1.00 0.00 C ATOM 34 CD GLU A 3 -15.822 9.410 -1.925 1.00 0.00 C ATOM 35 OE1 GLU A 3 -16.085 8.219 -1.915 1.00 0.00 O ATOM 36 OE2 GLU A 3 -16.082 10.218 -2.802 1.00 0.00 O ATOM 0 H GLU A 3 -13.932 7.943 -2.686 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.180 10.676 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.765 8.249 -0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.150 9.709 0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.643 9.719 0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.010 11.038 -0.756 1.00 0.00 H new ATOM 43 N LYS A 4 -10.652 10.207 -2.503 1.00 0.00 N ATOM 44 CA LYS A 4 -9.175 10.183 -2.301 1.00 0.00 C ATOM 45 C LYS A 4 -8.844 10.506 -0.840 1.00 0.00 C ATOM 46 O LYS A 4 -9.572 11.221 -0.182 1.00 0.00 O ATOM 47 CB LYS A 4 -8.525 11.222 -3.215 1.00 0.00 C ATOM 48 CG LYS A 4 -7.693 10.503 -4.282 1.00 0.00 C ATOM 49 CD LYS A 4 -7.172 11.527 -5.294 1.00 0.00 C ATOM 50 CE LYS A 4 -6.287 12.550 -4.574 1.00 0.00 C ATOM 51 NZ LYS A 4 -5.259 13.097 -5.505 1.00 0.00 N ATOM 0 H LYS A 4 -10.976 10.716 -3.326 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.793 9.191 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.290 11.838 -3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.892 11.891 -2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.859 9.978 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.300 9.752 -4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.603 11.024 -6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.007 12.031 -5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.902 13.361 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.800 12.081 -3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.668 13.789 -5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.662 12.322 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.730 13.563 -6.307 1.00 0.00 H new ATOM 65 N CYS A 5 -7.752 9.973 -0.364 1.00 0.00 N ATOM 66 CA CYS A 5 -7.368 10.240 1.052 1.00 0.00 C ATOM 67 C CYS A 5 -6.491 11.493 1.136 1.00 0.00 C ATOM 68 O CYS A 5 -6.339 12.214 0.169 1.00 0.00 O ATOM 69 CB CYS A 5 -6.608 9.035 1.598 1.00 0.00 C ATOM 70 SG CYS A 5 -7.129 7.402 1.017 1.00 0.00 S ATOM 0 H CYS A 5 -7.115 9.371 -0.887 1.00 0.00 H new ATOM 0 HA CYS A 5 -8.267 10.407 1.645 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.553 9.161 1.354 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.687 9.049 2.685 1.00 0.00 H new ATOM 75 N THR A 6 -5.927 11.727 2.291 1.00 0.00 N ATOM 76 CA THR A 6 -5.070 12.937 2.458 1.00 0.00 C ATOM 77 C THR A 6 -3.586 12.590 2.284 1.00 0.00 C ATOM 78 O THR A 6 -3.014 12.814 1.236 1.00 0.00 O ATOM 79 CB THR A 6 -5.296 13.515 3.856 1.00 0.00 C ATOM 80 OG1 THR A 6 -5.630 12.391 4.665 1.00 0.00 O ATOM 81 CG2 THR A 6 -6.525 14.421 3.896 1.00 0.00 C ATOM 0 H THR A 6 -6.021 11.139 3.119 1.00 0.00 H new ATOM 0 HA THR A 6 -5.342 13.667 1.695 1.00 0.00 H new ATOM 0 HB THR A 6 -4.419 14.080 4.171 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.789 12.686 5.586 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.655 14.814 4.904 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.390 15.248 3.199 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.408 13.849 3.613 1.00 0.00 H new ATOM 89 N LYS A 7 -2.996 12.053 3.319 1.00 0.00 N ATOM 90 CA LYS A 7 -1.544 11.703 3.238 1.00 0.00 C ATOM 91 C LYS A 7 -1.228 11.016 1.875 1.00 0.00 C ATOM 92 O LYS A 7 -2.054 10.294 1.353 1.00 0.00 O ATOM 93 CB LYS A 7 -1.204 10.741 4.377 1.00 0.00 C ATOM 94 CG LYS A 7 -1.852 11.245 5.670 1.00 0.00 C ATOM 95 CD LYS A 7 -0.879 11.034 6.833 1.00 0.00 C ATOM 96 CE LYS A 7 -1.587 11.374 8.148 1.00 0.00 C ATOM 97 NZ LYS A 7 -2.648 12.394 7.919 1.00 0.00 N ATOM 0 H LYS A 7 -3.449 11.843 4.208 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.950 12.613 3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.563 9.739 4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.123 10.672 4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.104 12.301 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.783 10.710 5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.531 10.001 6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.001 11.665 6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.027 10.473 8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.863 11.749 8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.954 12.787 8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.272 13.158 7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.459 11.950 7.443 1.00 0.00 H new ATOM 111 N PRO A 8 -0.032 11.253 1.323 1.00 0.00 N ATOM 112 CA PRO A 8 0.353 10.632 0.041 1.00 0.00 C ATOM 113 C PRO A 8 0.381 9.103 0.166 1.00 0.00 C ATOM 114 O PRO A 8 0.119 8.563 1.222 1.00 0.00 O ATOM 115 CB PRO A 8 1.761 11.160 -0.258 1.00 0.00 C ATOM 116 CG PRO A 8 2.215 11.997 0.974 1.00 0.00 C ATOM 117 CD PRO A 8 1.001 12.132 1.909 1.00 0.00 C ATOM 0 HA PRO A 8 -0.356 10.875 -0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.450 10.335 -0.437 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.758 11.774 -1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.043 11.507 1.487 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.570 12.979 0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.249 11.826 2.925 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.657 13.165 1.962 1.00 0.00 H new ATOM 125 N ASN A 9 0.705 8.441 -0.916 1.00 0.00 N ATOM 126 CA ASN A 9 0.761 6.944 -0.886 1.00 0.00 C ATOM 127 C ASN A 9 -0.577 6.367 -0.414 1.00 0.00 C ATOM 128 O ASN A 9 -1.374 5.925 -1.218 1.00 0.00 O ATOM 129 CB ASN A 9 1.881 6.500 0.060 1.00 0.00 C ATOM 130 CG ASN A 9 3.192 7.184 -0.344 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.919 6.710 -1.199 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.533 8.296 0.246 1.00 0.00 N ATOM 0 H ASN A 9 0.932 8.867 -1.814 1.00 0.00 H new ATOM 0 HA ASN A 9 0.961 6.575 -1.892 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.626 6.757 1.088 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.996 5.417 0.021 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.403 8.763 -0.009 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.929 8.699 0.963 1.00 0.00 H new ATOM 139 N GLU A 10 -0.794 6.372 0.874 1.00 0.00 N ATOM 140 CA GLU A 10 -2.081 5.832 1.397 1.00 0.00 C ATOM 141 C GLU A 10 -3.240 6.346 0.541 1.00 0.00 C ATOM 142 O GLU A 10 -3.610 7.500 0.627 1.00 0.00 O ATOM 143 CB GLU A 10 -2.269 6.294 2.842 1.00 0.00 C ATOM 144 CG GLU A 10 -1.103 5.781 3.689 1.00 0.00 C ATOM 145 CD GLU A 10 -1.624 4.759 4.700 1.00 0.00 C ATOM 146 OE1 GLU A 10 -1.727 3.609 4.305 1.00 0.00 O ATOM 147 OE2 GLU A 10 -1.890 5.185 5.812 1.00 0.00 O ATOM 0 H GLU A 10 -0.145 6.722 1.578 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.062 4.743 1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.315 7.382 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.213 5.919 3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.347 5.325 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.623 6.611 4.208 1.00 0.00 H new ATOM 154 N GLN A 11 -3.783 5.474 -0.270 1.00 0.00 N ATOM 155 CA GLN A 11 -4.908 5.889 -1.154 1.00 0.00 C ATOM 156 C GLN A 11 -6.025 4.852 -1.100 1.00 0.00 C ATOM 157 O GLN A 11 -5.830 3.748 -0.633 1.00 0.00 O ATOM 158 CB GLN A 11 -4.398 6.021 -2.585 1.00 0.00 C ATOM 159 CG GLN A 11 -5.120 7.185 -3.263 1.00 0.00 C ATOM 160 CD GLN A 11 -4.911 7.102 -4.775 1.00 0.00 C ATOM 161 OE1 GLN A 11 -3.941 7.605 -5.307 1.00 0.00 O ATOM 162 NE2 GLN A 11 -5.794 6.476 -5.503 1.00 0.00 N ATOM 0 H GLN A 11 -3.497 4.499 -0.357 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.301 6.847 -0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.322 6.193 -2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.574 5.096 -3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.184 7.152 -3.030 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.740 8.133 -2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.610 6.052 -5.062 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.668 6.411 -6.513 1.00 0.00 H new ATOM 171 N TRP A 12 -7.170 5.225 -1.583 1.00 0.00 N ATOM 172 CA TRP A 12 -8.317 4.280 -1.555 1.00 0.00 C ATOM 173 C TRP A 12 -7.978 2.975 -2.262 1.00 0.00 C ATOM 174 O TRP A 12 -7.328 2.972 -3.289 1.00 0.00 O ATOM 175 CB TRP A 12 -9.499 4.906 -2.268 1.00 0.00 C ATOM 176 CG TRP A 12 -10.626 3.877 -2.328 1.00 0.00 C ATOM 177 CD1 TRP A 12 -10.928 3.145 -3.400 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.441 3.612 -1.338 1.00 0.00 C ATOM 179 NE1 TRP A 12 -11.991 2.422 -2.996 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.379 2.665 -1.697 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.437 4.135 -0.062 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.320 2.251 -0.780 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.374 3.720 0.857 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.318 2.778 0.498 1.00 0.00 C ATOM 0 H TRP A 12 -7.364 6.138 -1.995 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.552 4.070 -0.511 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.830 5.800 -1.740 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.215 5.216 -3.274 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.438 3.134 -4.362 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.467 1.752 -3.600 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.698 4.871 0.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.059 1.515 -1.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.371 4.130 1.856 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.056 2.453 1.217 1.00 0.00 H new ATOM 195 N THR A 13 -8.427 1.893 -1.695 1.00 0.00 N ATOM 196 CA THR A 13 -8.177 0.582 -2.341 1.00 0.00 C ATOM 197 C THR A 13 -9.373 -0.349 -2.105 1.00 0.00 C ATOM 198 O THR A 13 -9.747 -0.614 -0.980 1.00 0.00 O ATOM 199 CB THR A 13 -6.901 -0.049 -1.771 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.029 -1.440 -2.052 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.838 0.046 -0.249 1.00 0.00 C ATOM 0 H THR A 13 -8.951 1.861 -0.821 1.00 0.00 H new ATOM 0 HA THR A 13 -8.047 0.732 -3.413 1.00 0.00 H new ATOM 0 HB THR A 13 -6.029 0.449 -2.195 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.020 -1.580 -3.022 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.916 -0.415 0.106 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.859 1.094 0.051 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.693 -0.473 0.184 1.00 0.00 H new ATOM 209 N LYS A 14 -9.958 -0.813 -3.170 1.00 0.00 N ATOM 210 CA LYS A 14 -11.124 -1.722 -3.009 1.00 0.00 C ATOM 211 C LYS A 14 -10.669 -3.046 -2.387 1.00 0.00 C ATOM 212 O LYS A 14 -11.476 -3.870 -2.005 1.00 0.00 O ATOM 213 CB LYS A 14 -11.753 -1.969 -4.374 1.00 0.00 C ATOM 214 CG LYS A 14 -12.116 -0.623 -5.002 1.00 0.00 C ATOM 215 CD LYS A 14 -13.400 -0.775 -5.816 1.00 0.00 C ATOM 216 CE LYS A 14 -13.739 0.561 -6.481 1.00 0.00 C ATOM 217 NZ LYS A 14 -12.537 1.130 -7.154 1.00 0.00 N ATOM 0 H LYS A 14 -9.686 -0.607 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.861 -1.264 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.059 -2.510 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.643 -2.590 -4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.252 0.129 -4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.305 -0.277 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.275 -1.549 -6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.219 -1.091 -5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.538 0.419 -7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.110 1.262 -5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.836 1.816 -7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.938 1.607 -6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.997 0.364 -7.606 1.00 0.00 H new ATOM 231 N CYS A 15 -9.374 -3.218 -2.300 1.00 0.00 N ATOM 232 CA CYS A 15 -8.832 -4.465 -1.691 1.00 0.00 C ATOM 233 C CYS A 15 -7.596 -4.137 -0.845 1.00 0.00 C ATOM 234 O CYS A 15 -6.494 -4.074 -1.353 1.00 0.00 O ATOM 235 CB CYS A 15 -8.437 -5.438 -2.799 1.00 0.00 C ATOM 236 SG CYS A 15 -6.981 -6.478 -2.504 1.00 0.00 S ATOM 0 H CYS A 15 -8.674 -2.551 -2.623 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.595 -4.915 -1.056 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.287 -6.093 -2.993 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.263 -4.863 -3.708 1.00 0.00 H new ATOM 241 N GLY A 16 -7.806 -3.936 0.427 1.00 0.00 N ATOM 242 CA GLY A 16 -6.653 -3.609 1.314 1.00 0.00 C ATOM 243 C GLY A 16 -5.935 -4.884 1.758 1.00 0.00 C ATOM 244 O GLY A 16 -5.982 -5.895 1.082 1.00 0.00 O ATOM 0 H GLY A 16 -8.715 -3.983 0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.956 -2.958 0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.004 -3.060 2.188 1.00 0.00 H new ATOM 248 N GLY A 17 -5.285 -4.807 2.892 1.00 0.00 N ATOM 249 CA GLY A 17 -4.553 -6.002 3.411 1.00 0.00 C ATOM 250 C GLY A 17 -3.044 -5.822 3.228 1.00 0.00 C ATOM 251 O GLY A 17 -2.497 -4.786 3.553 1.00 0.00 O ATOM 0 H GLY A 17 -5.230 -3.974 3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.783 -6.148 4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.886 -6.897 2.886 1.00 0.00 H new ATOM 255 N CYS A 18 -2.404 -6.835 2.713 1.00 0.00 N ATOM 256 CA CYS A 18 -0.928 -6.737 2.501 1.00 0.00 C ATOM 257 C CYS A 18 -0.634 -6.055 1.163 1.00 0.00 C ATOM 258 O CYS A 18 -1.511 -5.904 0.335 1.00 0.00 O ATOM 259 CB CYS A 18 -0.330 -8.141 2.496 1.00 0.00 C ATOM 260 SG CYS A 18 -1.157 -9.404 3.494 1.00 0.00 S ATOM 0 H CYS A 18 -2.831 -7.718 2.432 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.487 -6.147 3.305 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.303 -8.492 1.464 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.703 -8.068 2.835 1.00 0.00 H new ATOM 265 N GLU A 19 0.598 -5.654 0.979 1.00 0.00 N ATOM 266 CA GLU A 19 0.968 -4.981 -0.301 1.00 0.00 C ATOM 267 C GLU A 19 2.359 -5.432 -0.755 1.00 0.00 C ATOM 268 O GLU A 19 2.819 -6.495 -0.389 1.00 0.00 O ATOM 269 CB GLU A 19 0.964 -3.467 -0.094 1.00 0.00 C ATOM 270 CG GLU A 19 0.465 -2.788 -1.373 1.00 0.00 C ATOM 271 CD GLU A 19 -1.064 -2.814 -1.394 1.00 0.00 C ATOM 272 OE1 GLU A 19 -1.629 -2.142 -0.545 1.00 0.00 O ATOM 273 OE2 GLU A 19 -1.583 -3.504 -2.257 1.00 0.00 O ATOM 0 H GLU A 19 1.356 -5.762 1.653 1.00 0.00 H new ATOM 0 HA GLU A 19 0.243 -5.251 -1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.322 -3.204 0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.967 -3.118 0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.824 -1.760 -1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.861 -3.301 -2.249 1.00 0.00 H new ATOM 280 N GLY A 20 2.998 -4.611 -1.544 1.00 0.00 N ATOM 281 CA GLY A 20 4.353 -4.980 -2.036 1.00 0.00 C ATOM 282 C GLY A 20 5.442 -4.361 -1.162 1.00 0.00 C ATOM 283 O GLY A 20 5.164 -3.586 -0.269 1.00 0.00 O ATOM 0 H GLY A 20 2.644 -3.710 -1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.459 -6.065 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.474 -4.644 -3.066 1.00 0.00 H new ATOM 287 N THR A 21 6.664 -4.728 -1.444 1.00 0.00 N ATOM 288 CA THR A 21 7.809 -4.178 -0.662 1.00 0.00 C ATOM 289 C THR A 21 8.924 -3.764 -1.624 1.00 0.00 C ATOM 290 O THR A 21 8.790 -3.908 -2.823 1.00 0.00 O ATOM 291 CB THR A 21 8.328 -5.252 0.295 1.00 0.00 C ATOM 292 OG1 THR A 21 8.937 -6.225 -0.547 1.00 0.00 O ATOM 293 CG2 THR A 21 7.183 -5.981 0.994 1.00 0.00 C ATOM 0 H THR A 21 6.918 -5.385 -2.182 1.00 0.00 H new ATOM 0 HA THR A 21 7.483 -3.310 -0.090 1.00 0.00 H new ATOM 0 HB THR A 21 8.980 -4.800 1.043 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.435 -6.867 0.001 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.589 -6.737 1.666 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.592 -5.266 1.567 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.549 -6.461 0.249 1.00 0.00 H new ATOM 301 N CYS A 22 10.004 -3.266 -1.092 1.00 0.00 N ATOM 302 CA CYS A 22 11.120 -2.853 -1.987 1.00 0.00 C ATOM 303 C CYS A 22 11.843 -4.097 -2.503 1.00 0.00 C ATOM 304 O CYS A 22 12.868 -4.005 -3.148 1.00 0.00 O ATOM 305 CB CYS A 22 12.098 -1.972 -1.209 1.00 0.00 C ATOM 306 SG CYS A 22 13.433 -1.188 -2.145 1.00 0.00 S ATOM 0 H CYS A 22 10.162 -3.128 -0.094 1.00 0.00 H new ATOM 0 HA CYS A 22 10.723 -2.290 -2.832 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.525 -1.187 -0.716 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.548 -2.579 -0.424 1.00 0.00 H new ATOM 311 N ALA A 23 11.284 -5.238 -2.199 1.00 0.00 N ATOM 312 CA ALA A 23 11.911 -6.512 -2.652 1.00 0.00 C ATOM 313 C ALA A 23 10.834 -7.524 -3.079 1.00 0.00 C ATOM 314 O ALA A 23 11.147 -8.597 -3.553 1.00 0.00 O ATOM 315 CB ALA A 23 12.726 -7.092 -1.501 1.00 0.00 C ATOM 0 H ALA A 23 10.425 -5.342 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 23 12.554 -6.311 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.191 -8.025 -1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.500 -6.382 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.071 -7.284 -0.651 1.00 0.00 H new ATOM 321 N GLN A 24 9.590 -7.159 -2.903 1.00 0.00 N ATOM 322 CA GLN A 24 8.491 -8.093 -3.290 1.00 0.00 C ATOM 323 C GLN A 24 7.264 -7.298 -3.750 1.00 0.00 C ATOM 324 O GLN A 24 6.394 -6.989 -2.963 1.00 0.00 O ATOM 325 CB GLN A 24 8.112 -8.955 -2.083 1.00 0.00 C ATOM 326 CG GLN A 24 8.978 -10.219 -2.067 1.00 0.00 C ATOM 327 CD GLN A 24 8.588 -11.080 -0.864 1.00 0.00 C ATOM 328 OE1 GLN A 24 7.344 -11.091 -0.467 1.00 0.00 O flip ATOM 329 NE2 GLN A 24 9.412 -11.751 -0.274 1.00 0.00 N flip ATOM 0 H GLN A 24 9.290 -6.266 -2.513 1.00 0.00 H new ATOM 0 HA GLN A 24 8.832 -8.728 -4.107 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.255 -8.392 -1.161 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.057 -9.224 -2.132 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.840 -10.780 -2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.033 -9.951 -2.011 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.385 -11.747 -0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.130 -12.318 0.526 1.00 0.00 H new ATOM 338 N LYS A 25 7.228 -6.981 -5.016 1.00 0.00 N ATOM 339 CA LYS A 25 6.067 -6.204 -5.549 1.00 0.00 C ATOM 340 C LYS A 25 4.751 -6.770 -4.990 1.00 0.00 C ATOM 341 O LYS A 25 3.807 -6.042 -4.768 1.00 0.00 O ATOM 342 CB LYS A 25 6.071 -6.300 -7.079 1.00 0.00 C ATOM 343 CG LYS A 25 5.470 -5.020 -7.685 1.00 0.00 C ATOM 344 CD LYS A 25 4.006 -4.881 -7.266 1.00 0.00 C ATOM 345 CE LYS A 25 3.237 -4.157 -8.372 1.00 0.00 C ATOM 346 NZ LYS A 25 3.183 -4.994 -9.603 1.00 0.00 N ATOM 0 H LYS A 25 7.944 -7.223 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 25 6.151 -5.161 -5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.090 -6.441 -7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.496 -7.169 -7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.036 -4.150 -7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.544 -5.053 -8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.571 -5.864 -7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.933 -4.325 -6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.226 -3.933 -8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.718 -3.204 -8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.309 -4.786 -10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.005 -4.782 -10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.197 -6.000 -9.340 1.00 0.00 H new ATOM 360 N ILE A 26 4.716 -8.063 -4.792 1.00 0.00 N ATOM 361 CA ILE A 26 3.481 -8.692 -4.233 1.00 0.00 C ATOM 362 C ILE A 26 3.860 -9.717 -3.161 1.00 0.00 C ATOM 363 O ILE A 26 4.446 -10.741 -3.454 1.00 0.00 O ATOM 364 CB ILE A 26 2.721 -9.378 -5.368 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.515 -8.363 -6.500 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.355 -9.859 -4.857 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.482 -8.900 -7.489 1.00 0.00 C ATOM 0 H ILE A 26 5.482 -8.706 -4.991 1.00 0.00 H new ATOM 0 HA ILE A 26 2.850 -7.929 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 26 3.287 -10.236 -5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.180 -7.410 -6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.460 -8.176 -7.011 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.815 -10.348 -5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.500 -10.566 -4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.779 -9.005 -4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.337 -8.177 -8.292 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.835 -9.842 -7.908 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.536 -9.064 -6.974 1.00 0.00 H new ATOM 379 N VAL A 27 3.515 -9.418 -1.939 1.00 0.00 N ATOM 380 CA VAL A 27 3.847 -10.357 -0.832 1.00 0.00 C ATOM 381 C VAL A 27 2.703 -11.404 -0.665 1.00 0.00 C ATOM 382 O VAL A 27 1.552 -11.027 -0.566 1.00 0.00 O ATOM 383 CB VAL A 27 3.977 -9.549 0.459 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.613 -8.949 0.815 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.435 -10.472 1.590 1.00 0.00 C ATOM 0 H VAL A 27 3.021 -8.570 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 27 4.778 -10.878 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 27 4.706 -8.750 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.699 -8.371 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.280 -8.297 0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.888 -9.751 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.529 -9.899 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.703 -11.267 1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.400 -10.909 1.335 1.00 0.00 H new ATOM 395 N PRO A 28 3.026 -12.706 -0.634 1.00 0.00 N ATOM 396 CA PRO A 28 1.986 -13.732 -0.470 1.00 0.00 C ATOM 397 C PRO A 28 1.262 -13.558 0.871 1.00 0.00 C ATOM 398 O PRO A 28 1.872 -13.225 1.868 1.00 0.00 O ATOM 399 CB PRO A 28 2.724 -15.075 -0.501 1.00 0.00 C ATOM 400 CG PRO A 28 4.246 -14.768 -0.629 1.00 0.00 C ATOM 401 CD PRO A 28 4.399 -13.242 -0.760 1.00 0.00 C ATOM 0 HA PRO A 28 1.230 -13.664 -1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.522 -15.645 0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.383 -15.681 -1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.786 -15.134 0.244 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.667 -15.272 -1.499 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.051 -12.843 0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.842 -12.971 -1.718 1.00 0.00 H new ATOM 409 N CYS A 29 -0.021 -13.786 0.867 1.00 0.00 N ATOM 410 CA CYS A 29 -0.794 -13.641 2.134 1.00 0.00 C ATOM 411 C CYS A 29 -2.035 -14.539 2.102 1.00 0.00 C ATOM 412 O CYS A 29 -2.944 -14.319 1.327 1.00 0.00 O ATOM 413 CB CYS A 29 -1.221 -12.184 2.299 1.00 0.00 C ATOM 414 SG CYS A 29 -0.078 -11.079 3.165 1.00 0.00 S ATOM 0 H CYS A 29 -0.565 -14.064 0.050 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.165 -13.939 2.973 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.403 -11.771 1.307 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.173 -12.169 2.830 1.00 0.00 H new ATOM 419 N THR A 30 -2.042 -15.534 2.947 1.00 0.00 N ATOM 420 CA THR A 30 -3.212 -16.459 2.982 1.00 0.00 C ATOM 421 C THR A 30 -4.520 -15.664 2.936 1.00 0.00 C ATOM 422 O THR A 30 -5.557 -16.190 2.585 1.00 0.00 O ATOM 423 CB THR A 30 -3.158 -17.282 4.272 1.00 0.00 C ATOM 424 OG1 THR A 30 -3.464 -16.353 5.308 1.00 0.00 O ATOM 425 CG2 THR A 30 -1.742 -17.766 4.569 1.00 0.00 C ATOM 0 H THR A 30 -1.296 -15.746 3.609 1.00 0.00 H new ATOM 0 HA THR A 30 -3.174 -17.120 2.116 1.00 0.00 H new ATOM 0 HB THR A 30 -3.825 -18.140 4.194 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.450 -16.812 6.174 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.742 -18.346 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.391 -18.390 3.747 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.080 -16.907 4.681 1.00 0.00 H new ATOM 433 N ARG A 31 -4.442 -14.411 3.290 1.00 0.00 N ATOM 434 CA ARG A 31 -5.672 -13.565 3.270 1.00 0.00 C ATOM 435 C ARG A 31 -6.031 -13.193 1.827 1.00 0.00 C ATOM 436 O ARG A 31 -5.223 -13.328 0.930 1.00 0.00 O ATOM 437 CB ARG A 31 -5.420 -12.294 4.082 1.00 0.00 C ATOM 438 CG ARG A 31 -5.214 -12.671 5.553 1.00 0.00 C ATOM 439 CD ARG A 31 -3.849 -12.159 6.018 1.00 0.00 C ATOM 440 NE ARG A 31 -3.610 -12.622 7.416 1.00 0.00 N ATOM 441 CZ ARG A 31 -3.471 -11.740 8.367 1.00 0.00 C ATOM 442 NH1 ARG A 31 -2.524 -10.849 8.268 1.00 0.00 N ATOM 443 NH2 ARG A 31 -4.285 -11.781 9.388 1.00 0.00 N ATOM 0 H ARG A 31 -3.589 -13.938 3.590 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.501 -14.122 3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.542 -11.772 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.264 -11.611 3.983 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.005 -12.239 6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.271 -13.753 5.675 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.063 -12.529 5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.819 -11.070 5.971 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.556 -13.619 7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.906 -10.849 7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.401 -10.152 9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.013 -12.494 9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.192 -11.100 10.142 1.00 0.00 H new ATOM 457 N GLU A 32 -7.237 -12.729 1.636 1.00 0.00 N ATOM 458 CA GLU A 32 -7.666 -12.348 0.258 1.00 0.00 C ATOM 459 C GLU A 32 -7.512 -10.840 0.048 1.00 0.00 C ATOM 460 O GLU A 32 -6.628 -10.395 -0.657 1.00 0.00 O ATOM 461 CB GLU A 32 -9.131 -12.738 0.066 1.00 0.00 C ATOM 462 CG GLU A 32 -9.204 -14.148 -0.524 1.00 0.00 C ATOM 463 CD GLU A 32 -10.670 -14.557 -0.675 1.00 0.00 C ATOM 464 OE1 GLU A 32 -11.408 -13.743 -1.207 1.00 0.00 O ATOM 465 OE2 GLU A 32 -10.971 -15.660 -0.248 1.00 0.00 O ATOM 0 H GLU A 32 -7.938 -12.598 2.366 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.040 -12.869 -0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.657 -12.703 1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.625 -12.028 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.705 -14.176 -1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.683 -14.853 0.123 1.00 0.00 H new ATOM 472 N CYS A 33 -8.378 -10.086 0.664 1.00 0.00 N ATOM 473 CA CYS A 33 -8.303 -8.604 0.508 1.00 0.00 C ATOM 474 C CYS A 33 -9.145 -7.912 1.586 1.00 0.00 C ATOM 475 O CYS A 33 -10.359 -7.950 1.545 1.00 0.00 O ATOM 476 CB CYS A 33 -8.847 -8.221 -0.870 1.00 0.00 C ATOM 477 SG CYS A 33 -7.722 -8.345 -2.285 1.00 0.00 S ATOM 0 H CYS A 33 -9.129 -10.426 1.264 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.265 -8.287 0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.714 -8.850 -1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.205 -7.193 -0.815 1.00 0.00 H new ATOM 482 N LYS A 34 -8.487 -7.292 2.530 1.00 0.00 N ATOM 483 CA LYS A 34 -9.249 -6.589 3.605 1.00 0.00 C ATOM 484 C LYS A 34 -10.339 -5.711 2.951 1.00 0.00 C ATOM 485 O LYS A 34 -10.230 -5.363 1.792 1.00 0.00 O ATOM 486 CB LYS A 34 -8.282 -5.708 4.400 1.00 0.00 C ATOM 487 CG LYS A 34 -7.880 -6.429 5.691 1.00 0.00 C ATOM 488 CD LYS A 34 -6.926 -5.533 6.485 1.00 0.00 C ATOM 489 CE LYS A 34 -7.478 -5.343 7.900 1.00 0.00 C ATOM 490 NZ LYS A 34 -6.538 -4.527 8.721 1.00 0.00 N ATOM 0 H LYS A 34 -7.471 -7.241 2.604 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.717 -7.311 4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.397 -5.489 3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.752 -4.753 4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.764 -6.658 6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.398 -7.379 5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.934 -5.983 6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.818 -4.568 5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.450 -4.853 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.632 -6.314 8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.927 -4.407 9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.619 -5.010 8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.412 -3.594 8.279 1.00 0.00 H new ATOM 504 N PRO A 35 -11.375 -5.366 3.702 1.00 0.00 N ATOM 505 CA PRO A 35 -12.453 -4.534 3.156 1.00 0.00 C ATOM 506 C PRO A 35 -11.879 -3.225 2.563 1.00 0.00 C ATOM 507 O PRO A 35 -10.747 -2.869 2.825 1.00 0.00 O ATOM 508 CB PRO A 35 -13.375 -4.235 4.346 1.00 0.00 C ATOM 509 CG PRO A 35 -12.792 -4.983 5.584 1.00 0.00 C ATOM 510 CD PRO A 35 -11.547 -5.756 5.113 1.00 0.00 C ATOM 0 HA PRO A 35 -12.987 -5.035 2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.425 -3.162 4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.391 -4.570 4.138 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.529 -4.276 6.371 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.531 -5.666 6.003 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.671 -5.494 5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.688 -6.832 5.212 1.00 0.00 H new ATOM 518 N PRO A 36 -12.684 -2.536 1.771 1.00 0.00 N ATOM 519 CA PRO A 36 -12.263 -1.269 1.146 1.00 0.00 C ATOM 520 C PRO A 36 -11.825 -0.248 2.203 1.00 0.00 C ATOM 521 O PRO A 36 -12.493 -0.060 3.199 1.00 0.00 O ATOM 522 CB PRO A 36 -13.504 -0.757 0.410 1.00 0.00 C ATOM 523 CG PRO A 36 -14.644 -1.795 0.626 1.00 0.00 C ATOM 524 CD PRO A 36 -14.060 -2.955 1.448 1.00 0.00 C ATOM 0 HA PRO A 36 -11.412 -1.417 0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.799 0.220 0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.295 -0.634 -0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.484 -1.339 1.149 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.022 -2.155 -0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.642 -3.130 2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.067 -3.885 0.879 1.00 0.00 H new ATOM 532 N ARG A 37 -10.710 0.395 1.959 1.00 0.00 N ATOM 533 CA ARG A 37 -10.219 1.413 2.942 1.00 0.00 C ATOM 534 C ARG A 37 -8.977 2.133 2.401 1.00 0.00 C ATOM 535 O ARG A 37 -8.340 1.673 1.474 1.00 0.00 O ATOM 536 CB ARG A 37 -9.854 0.719 4.260 1.00 0.00 C ATOM 537 CG ARG A 37 -10.072 1.695 5.419 1.00 0.00 C ATOM 538 CD ARG A 37 -9.657 1.024 6.730 1.00 0.00 C ATOM 539 NE ARG A 37 -8.727 1.926 7.463 1.00 0.00 N ATOM 540 CZ ARG A 37 -7.525 1.510 7.754 1.00 0.00 C ATOM 541 NH1 ARG A 37 -6.840 0.876 6.843 1.00 0.00 N ATOM 542 NH2 ARG A 37 -7.048 1.741 8.947 1.00 0.00 N ATOM 0 H ARG A 37 -10.125 0.263 1.134 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.012 2.143 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.467 -0.171 4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.815 0.390 4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.488 2.602 5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.119 1.994 5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.536 0.813 7.340 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.173 0.069 6.527 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.027 2.862 7.736 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.246 0.713 5.921 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.899 0.543 7.052 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.613 2.240 9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.110 1.423 9.192 1.00 0.00 H new ATOM 556 N CYS A 38 -8.674 3.262 2.987 1.00 0.00 N ATOM 557 CA CYS A 38 -7.458 4.022 2.555 1.00 0.00 C ATOM 558 C CYS A 38 -6.193 3.252 2.960 1.00 0.00 C ATOM 559 O CYS A 38 -6.002 2.950 4.121 1.00 0.00 O ATOM 560 CB CYS A 38 -7.455 5.389 3.242 1.00 0.00 C ATOM 561 SG CYS A 38 -8.379 6.727 2.451 1.00 0.00 S ATOM 0 H CYS A 38 -9.210 3.690 3.741 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.473 4.147 1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.849 5.259 4.250 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.419 5.711 3.344 1.00 0.00 H new ATOM 566 N GLU A 39 -5.349 2.952 2.000 1.00 0.00 N ATOM 567 CA GLU A 39 -4.102 2.193 2.342 1.00 0.00 C ATOM 568 C GLU A 39 -3.150 2.130 1.134 1.00 0.00 C ATOM 569 O GLU A 39 -3.439 2.661 0.080 1.00 0.00 O ATOM 570 CB GLU A 39 -4.491 0.768 2.767 1.00 0.00 C ATOM 571 CG GLU A 39 -3.263 0.021 3.309 1.00 0.00 C ATOM 572 CD GLU A 39 -3.717 -1.022 4.330 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.019 -0.601 5.435 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.737 -2.180 3.949 1.00 0.00 O ATOM 0 H GLU A 39 -5.464 3.193 1.016 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.587 2.703 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.268 0.808 3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.908 0.228 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.727 -0.462 2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.571 0.724 3.773 1.00 0.00 H new ATOM 581 N CYS A 40 -2.035 1.474 1.324 1.00 0.00 N ATOM 582 CA CYS A 40 -1.033 1.350 0.220 1.00 0.00 C ATOM 583 C CYS A 40 -1.678 0.757 -1.041 1.00 0.00 C ATOM 584 O CYS A 40 -2.744 0.176 -0.984 1.00 0.00 O ATOM 585 CB CYS A 40 0.098 0.440 0.690 1.00 0.00 C ATOM 586 SG CYS A 40 1.771 0.847 0.143 1.00 0.00 S ATOM 0 H CYS A 40 -1.773 1.017 2.198 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.649 2.340 -0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.092 0.431 1.780 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.127 -0.575 0.361 1.00 0.00 H new ATOM 591 N ILE A 41 -1.002 0.916 -2.155 1.00 0.00 N ATOM 592 CA ILE A 41 -1.548 0.376 -3.443 1.00 0.00 C ATOM 593 C ILE A 41 -0.428 -0.287 -4.261 1.00 0.00 C ATOM 594 O ILE A 41 0.447 0.383 -4.773 1.00 0.00 O ATOM 595 CB ILE A 41 -2.142 1.528 -4.260 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.145 2.306 -3.403 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.854 0.963 -5.491 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.444 3.521 -2.790 1.00 0.00 C ATOM 0 H ILE A 41 -0.103 1.392 -2.229 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.315 -0.365 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.342 2.198 -4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.990 2.627 -4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.544 1.666 -2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.277 1.781 -6.074 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.140 0.413 -6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.652 0.292 -5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.153 4.080 -2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.613 3.187 -2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.067 4.163 -3.586 1.00 0.00 H new ATOM 610 N ALA A 42 -0.482 -1.587 -4.376 1.00 0.00 N ATOM 611 CA ALA A 42 0.575 -2.298 -5.160 1.00 0.00 C ATOM 612 C ALA A 42 0.344 -2.103 -6.663 1.00 0.00 C ATOM 613 O ALA A 42 1.273 -1.888 -7.416 1.00 0.00 O ATOM 614 CB ALA A 42 0.529 -3.791 -4.834 1.00 0.00 C ATOM 0 H ALA A 42 -1.202 -2.183 -3.967 1.00 0.00 H new ATOM 0 HA ALA A 42 1.549 -1.888 -4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.298 -4.312 -5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.706 -3.936 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.450 -4.191 -5.097 1.00 0.00 H new ATOM 620 N SER A 43 -0.896 -2.179 -7.064 1.00 0.00 N ATOM 621 CA SER A 43 -1.212 -2.015 -8.513 1.00 0.00 C ATOM 622 C SER A 43 -0.647 -0.693 -9.038 1.00 0.00 C ATOM 623 O SER A 43 -0.659 -0.446 -10.229 1.00 0.00 O ATOM 624 CB SER A 43 -2.729 -2.028 -8.698 1.00 0.00 C ATOM 625 OG SER A 43 -3.100 -0.660 -8.626 1.00 0.00 O ATOM 0 H SER A 43 -1.699 -2.346 -6.457 1.00 0.00 H new ATOM 0 HA SER A 43 -0.759 -2.835 -9.071 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.010 -2.467 -9.655 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.220 -2.615 -7.922 1.00 0.00 H new ATOM 0 HG SER A 43 -4.070 -0.578 -8.738 1.00 0.00 H new ATOM 631 N ALA A 44 -0.166 0.127 -8.141 1.00 0.00 N ATOM 632 CA ALA A 44 0.402 1.440 -8.575 1.00 0.00 C ATOM 633 C ALA A 44 1.932 1.389 -8.558 1.00 0.00 C ATOM 634 O ALA A 44 2.579 1.839 -9.483 1.00 0.00 O ATOM 635 CB ALA A 44 -0.076 2.530 -7.624 1.00 0.00 C ATOM 0 H ALA A 44 -0.141 -0.051 -7.137 1.00 0.00 H new ATOM 0 HA ALA A 44 0.067 1.655 -9.590 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.335 3.490 -7.935 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.165 2.578 -7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.259 2.303 -6.612 1.00 0.00 H new ATOM 641 N GLY A 45 2.472 0.834 -7.503 1.00 0.00 N ATOM 642 CA GLY A 45 3.961 0.742 -7.396 1.00 0.00 C ATOM 643 C GLY A 45 4.432 1.212 -6.016 1.00 0.00 C ATOM 644 O GLY A 45 5.584 1.557 -5.836 1.00 0.00 O ATOM 0 H GLY A 45 1.952 0.443 -6.717 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.280 -0.286 -7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.425 1.351 -8.172 1.00 0.00 H new ATOM 648 N PHE A 46 3.532 1.218 -5.069 1.00 0.00 N ATOM 649 CA PHE A 46 3.922 1.661 -3.697 1.00 0.00 C ATOM 650 C PHE A 46 4.460 0.468 -2.898 1.00 0.00 C ATOM 651 O PHE A 46 3.913 -0.615 -2.962 1.00 0.00 O ATOM 652 CB PHE A 46 2.699 2.241 -2.988 1.00 0.00 C ATOM 653 CG PHE A 46 2.346 3.595 -3.611 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.981 4.751 -3.189 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.387 3.682 -4.605 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.660 5.970 -3.753 1.00 0.00 C ATOM 657 CE2 PHE A 46 1.068 4.903 -5.165 1.00 0.00 C ATOM 658 CZ PHE A 46 1.705 6.044 -4.738 1.00 0.00 C ATOM 0 H PHE A 46 2.557 0.940 -5.182 1.00 0.00 H new ATOM 0 HA PHE A 46 4.699 2.421 -3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.855 1.557 -3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.904 2.360 -1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.732 4.699 -2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.885 2.788 -4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.161 6.867 -3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.317 4.962 -5.939 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.455 6.999 -5.177 1.00 0.00 H new ATOM 668 N VAL A 47 5.520 0.699 -2.162 1.00 0.00 N ATOM 669 CA VAL A 47 6.121 -0.409 -1.349 1.00 0.00 C ATOM 670 C VAL A 47 6.071 -0.058 0.136 1.00 0.00 C ATOM 671 O VAL A 47 5.772 1.060 0.499 1.00 0.00 O ATOM 672 CB VAL A 47 7.574 -0.607 -1.774 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.606 -1.118 -3.209 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.311 0.727 -1.703 1.00 0.00 C ATOM 0 H VAL A 47 5.993 1.599 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 47 5.555 -1.325 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 47 8.055 -1.326 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.640 -1.262 -3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.073 -2.067 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.127 -0.391 -3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.348 0.586 -2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.832 1.443 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.280 1.106 -0.681 1.00 0.00 H new ATOM 684 N ARG A 48 6.366 -1.028 0.964 1.00 0.00 N ATOM 685 CA ARG A 48 6.341 -0.778 2.437 1.00 0.00 C ATOM 686 C ARG A 48 7.768 -0.735 2.994 1.00 0.00 C ATOM 687 O ARG A 48 8.517 -1.683 2.862 1.00 0.00 O ATOM 688 CB ARG A 48 5.559 -1.898 3.119 1.00 0.00 C ATOM 689 CG ARG A 48 4.081 -1.503 3.193 1.00 0.00 C ATOM 690 CD ARG A 48 3.230 -2.763 3.354 1.00 0.00 C ATOM 691 NE ARG A 48 1.807 -2.365 3.550 1.00 0.00 N ATOM 692 CZ ARG A 48 1.150 -2.816 4.583 1.00 0.00 C ATOM 693 NH1 ARG A 48 0.826 -4.079 4.619 1.00 0.00 N ATOM 694 NH2 ARG A 48 0.839 -1.989 5.544 1.00 0.00 N ATOM 0 H ARG A 48 6.621 -1.976 0.686 1.00 0.00 H new ATOM 0 HA ARG A 48 5.862 0.182 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.672 -2.829 2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.952 -2.075 4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.915 -0.828 4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.790 -0.967 2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.326 -3.397 2.473 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.579 -3.347 4.206 1.00 0.00 H new ATOM 0 HE ARG A 48 1.350 -1.745 2.881 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.086 -4.694 3.848 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.312 -4.451 5.418 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.109 -1.008 5.480 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.326 -2.324 6.359 1.00 0.00 H new ATOM 708 N ASP A 49 8.111 0.367 3.606 1.00 0.00 N ATOM 709 CA ASP A 49 9.482 0.487 4.179 1.00 0.00 C ATOM 710 C ASP A 49 9.576 -0.308 5.480 1.00 0.00 C ATOM 711 O ASP A 49 8.591 -0.481 6.175 1.00 0.00 O ATOM 712 CB ASP A 49 9.785 1.956 4.460 1.00 0.00 C ATOM 713 CG ASP A 49 11.301 2.163 4.486 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.880 1.780 5.490 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.792 2.690 3.503 1.00 0.00 O ATOM 0 H ASP A 49 7.509 1.180 3.733 1.00 0.00 H new ATOM 0 HA ASP A 49 10.204 0.091 3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.333 2.586 3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.349 2.253 5.414 1.00 0.00 H new ATOM 720 N ALA A 50 10.761 -0.764 5.786 1.00 0.00 N ATOM 721 CA ALA A 50 10.949 -1.560 7.032 1.00 0.00 C ATOM 722 C ALA A 50 10.211 -0.895 8.190 1.00 0.00 C ATOM 723 O ALA A 50 9.807 -1.547 9.133 1.00 0.00 O ATOM 724 CB ALA A 50 12.440 -1.640 7.357 1.00 0.00 C ATOM 0 H ALA A 50 11.603 -0.620 5.229 1.00 0.00 H new ATOM 0 HA ALA A 50 10.549 -2.563 6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.583 -2.221 8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.967 -2.121 6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.835 -0.635 7.502 1.00 0.00 H new ATOM 730 N GLN A 51 10.051 0.392 8.092 1.00 0.00 N ATOM 731 CA GLN A 51 9.335 1.121 9.175 1.00 0.00 C ATOM 732 C GLN A 51 7.825 0.976 8.981 1.00 0.00 C ATOM 733 O GLN A 51 7.051 1.778 9.465 1.00 0.00 O ATOM 734 CB GLN A 51 9.716 2.601 9.121 1.00 0.00 C ATOM 735 CG GLN A 51 11.203 2.748 9.448 1.00 0.00 C ATOM 736 CD GLN A 51 11.574 4.233 9.456 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.775 5.086 9.128 1.00 0.00 O ATOM 738 NE2 GLN A 51 12.777 4.584 9.827 1.00 0.00 N ATOM 0 H GLN A 51 10.381 0.968 7.317 1.00 0.00 H new ATOM 0 HA GLN A 51 9.615 0.704 10.142 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.507 3.007 8.131 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.117 3.170 9.832 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.420 2.302 10.419 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.804 2.215 8.711 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.453 3.872 10.104 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.040 5.570 9.840 1.00 0.00 H new ATOM 747 N GLY A 52 7.439 -0.052 8.273 1.00 0.00 N ATOM 748 CA GLY A 52 5.988 -0.264 8.029 1.00 0.00 C ATOM 749 C GLY A 52 5.370 1.009 7.463 1.00 0.00 C ATOM 750 O GLY A 52 4.251 1.356 7.788 1.00 0.00 O ATOM 0 H GLY A 52 8.061 -0.746 7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.844 -1.090 7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.490 -0.539 8.958 1.00 0.00 H new ATOM 754 N ASN A 53 6.120 1.680 6.622 1.00 0.00 N ATOM 755 CA ASN A 53 5.605 2.954 6.019 1.00 0.00 C ATOM 756 C ASN A 53 5.432 2.802 4.504 1.00 0.00 C ATOM 757 O ASN A 53 6.377 2.522 3.796 1.00 0.00 O ATOM 758 CB ASN A 53 6.603 4.075 6.301 1.00 0.00 C ATOM 759 CG ASN A 53 6.404 4.585 7.729 1.00 0.00 C ATOM 760 OD1 ASN A 53 7.126 4.076 8.690 1.00 0.00 O flip ATOM 761 ND2 ASN A 53 5.588 5.448 7.984 1.00 0.00 N flip ATOM 0 H ASN A 53 7.057 1.406 6.328 1.00 0.00 H new ATOM 0 HA ASN A 53 4.636 3.189 6.460 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.622 3.711 6.172 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.463 4.889 5.590 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.021 5.850 7.238 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.470 5.771 8.944 1.00 0.00 H new ATOM 768 N CYS A 54 4.229 2.998 4.040 1.00 0.00 N ATOM 769 CA CYS A 54 3.986 2.871 2.574 1.00 0.00 C ATOM 770 C CYS A 54 4.603 4.057 1.836 1.00 0.00 C ATOM 771 O CYS A 54 4.263 5.196 2.090 1.00 0.00 O ATOM 772 CB CYS A 54 2.485 2.833 2.308 1.00 0.00 C ATOM 773 SG CYS A 54 1.954 2.809 0.578 1.00 0.00 S ATOM 0 H CYS A 54 3.413 3.238 4.603 1.00 0.00 H new ATOM 0 HA CYS A 54 4.445 1.950 2.216 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.077 1.950 2.799 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.034 3.702 2.788 1.00 0.00 H new ATOM 778 N ILE A 55 5.502 3.765 0.938 1.00 0.00 N ATOM 779 CA ILE A 55 6.162 4.861 0.176 1.00 0.00 C ATOM 780 C ILE A 55 6.406 4.429 -1.276 1.00 0.00 C ATOM 781 O ILE A 55 6.509 3.257 -1.568 1.00 0.00 O ATOM 782 CB ILE A 55 7.497 5.189 0.850 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.304 3.891 1.048 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.222 5.836 2.212 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.798 4.224 1.110 1.00 0.00 C ATOM 0 H ILE A 55 5.807 2.821 0.700 1.00 0.00 H new ATOM 0 HA ILE A 55 5.518 5.741 0.170 1.00 0.00 H new ATOM 0 HB ILE A 55 8.068 5.876 0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.993 3.393 1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.108 3.200 0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.168 6.073 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.647 6.751 2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.656 5.144 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.370 3.307 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.103 4.703 0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.986 4.900 1.945 1.00 0.00 H new ATOM 797 N LYS A 56 6.487 5.390 -2.155 1.00 0.00 N ATOM 798 CA LYS A 56 6.731 5.050 -3.593 1.00 0.00 C ATOM 799 C LYS A 56 7.944 4.119 -3.721 1.00 0.00 C ATOM 800 O LYS A 56 8.804 4.094 -2.864 1.00 0.00 O ATOM 801 CB LYS A 56 7.001 6.335 -4.373 1.00 0.00 C ATOM 802 CG LYS A 56 5.745 7.203 -4.362 1.00 0.00 C ATOM 803 CD LYS A 56 6.051 8.537 -5.047 1.00 0.00 C ATOM 804 CE LYS A 56 5.872 9.672 -4.037 1.00 0.00 C ATOM 805 NZ LYS A 56 6.103 10.992 -4.689 1.00 0.00 N ATOM 0 H LYS A 56 6.397 6.385 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 56 5.852 4.545 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.835 6.876 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.285 6.099 -5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.931 6.693 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.415 7.374 -3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.070 8.536 -5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.387 8.683 -5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.867 9.638 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.568 9.542 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.978 11.751 -3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.071 11.027 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.422 11.120 -5.465 1.00 0.00 H new ATOM 819 N PHE A 57 7.983 3.371 -4.793 1.00 0.00 N ATOM 820 CA PHE A 57 9.137 2.443 -5.000 1.00 0.00 C ATOM 821 C PHE A 57 10.446 3.236 -5.081 1.00 0.00 C ATOM 822 O PHE A 57 11.470 2.800 -4.593 1.00 0.00 O ATOM 823 CB PHE A 57 8.929 1.673 -6.304 1.00 0.00 C ATOM 824 CG PHE A 57 9.100 0.173 -6.047 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.327 -0.338 -5.661 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.028 -0.692 -6.197 1.00 0.00 C ATOM 827 CE1 PHE A 57 10.479 -1.690 -5.432 1.00 0.00 C ATOM 828 CE2 PHE A 57 8.185 -2.044 -5.966 1.00 0.00 C ATOM 829 CZ PHE A 57 9.409 -2.541 -5.584 1.00 0.00 C ATOM 0 H PHE A 57 7.275 3.361 -5.527 1.00 0.00 H new ATOM 0 HA PHE A 57 9.196 1.750 -4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.934 1.873 -6.702 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.645 2.008 -7.054 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.170 0.325 -5.538 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.065 -0.307 -6.496 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.440 -2.081 -5.133 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.345 -2.712 -6.085 1.00 0.00 H new ATOM 0 HZ PHE A 57 9.530 -3.599 -5.403 1.00 0.00 H new ATOM 839 N GLU A 58 10.383 4.385 -5.697 1.00 0.00 N ATOM 840 CA GLU A 58 11.615 5.220 -5.822 1.00 0.00 C ATOM 841 C GLU A 58 12.105 5.656 -4.438 1.00 0.00 C ATOM 842 O GLU A 58 13.277 5.903 -4.239 1.00 0.00 O ATOM 843 CB GLU A 58 11.299 6.459 -6.659 1.00 0.00 C ATOM 844 CG GLU A 58 10.574 6.032 -7.936 1.00 0.00 C ATOM 845 CD GLU A 58 11.136 6.818 -9.123 1.00 0.00 C ATOM 846 OE1 GLU A 58 12.309 6.622 -9.396 1.00 0.00 O ATOM 847 OE2 GLU A 58 10.360 7.572 -9.689 1.00 0.00 O ATOM 0 H GLU A 58 9.541 4.780 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 58 12.396 4.632 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.679 7.150 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.219 6.988 -6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.702 4.962 -8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.504 6.214 -7.839 1.00 0.00 H new ATOM 854 N ASP A 59 11.192 5.742 -3.509 1.00 0.00 N ATOM 855 CA ASP A 59 11.585 6.161 -2.133 1.00 0.00 C ATOM 856 C ASP A 59 12.234 4.991 -1.386 1.00 0.00 C ATOM 857 O ASP A 59 12.443 5.054 -0.191 1.00 0.00 O ATOM 858 CB ASP A 59 10.339 6.619 -1.378 1.00 0.00 C ATOM 859 CG ASP A 59 9.973 8.038 -1.818 1.00 0.00 C ATOM 860 OD1 ASP A 59 10.165 8.307 -2.992 1.00 0.00 O ATOM 861 OD2 ASP A 59 9.524 8.772 -0.954 1.00 0.00 O ATOM 0 H ASP A 59 10.200 5.543 -3.641 1.00 0.00 H new ATOM 0 HA ASP A 59 12.304 6.977 -2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.510 5.940 -1.576 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.522 6.595 -0.304 1.00 0.00 H new ATOM 866 N CYS A 60 12.538 3.948 -2.110 1.00 0.00 N ATOM 867 CA CYS A 60 13.174 2.768 -1.456 1.00 0.00 C ATOM 868 C CYS A 60 14.380 3.231 -0.603 1.00 0.00 C ATOM 869 O CYS A 60 14.932 4.286 -0.846 1.00 0.00 O ATOM 870 CB CYS A 60 13.651 1.806 -2.547 1.00 0.00 C ATOM 871 SG CYS A 60 12.559 0.429 -2.980 1.00 0.00 S ATOM 0 H CYS A 60 12.376 3.861 -3.113 1.00 0.00 H new ATOM 0 HA CYS A 60 12.455 2.268 -0.807 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.835 2.387 -3.451 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.609 1.391 -2.234 1.00 0.00 H new ATOM 876 N PRO A 61 14.769 2.430 0.382 1.00 0.00 N ATOM 877 CA PRO A 61 15.910 2.778 1.242 1.00 0.00 C ATOM 878 C PRO A 61 17.164 3.047 0.401 1.00 0.00 C ATOM 879 O PRO A 61 17.098 3.126 -0.809 1.00 0.00 O ATOM 880 CB PRO A 61 16.123 1.558 2.146 1.00 0.00 C ATOM 881 CG PRO A 61 15.028 0.510 1.780 1.00 0.00 C ATOM 882 CD PRO A 61 14.125 1.142 0.707 1.00 0.00 C ATOM 0 HA PRO A 61 15.719 3.684 1.817 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.119 1.140 1.998 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.048 1.841 3.196 1.00 0.00 H new ATOM 0 HG2 PRO A 61 15.484 -0.407 1.406 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.446 0.240 2.661 1.00 0.00 H new ATOM 0 HD2 PRO A 61 14.051 0.504 -0.173 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.111 1.290 1.080 1.00 0.00 H new ATOM 890 N LYS A 62 18.281 3.186 1.064 1.00 0.00 N ATOM 891 CA LYS A 62 19.546 3.451 0.320 1.00 0.00 C ATOM 892 C LYS A 62 20.036 2.171 -0.365 1.00 0.00 C ATOM 893 O LYS A 62 20.326 1.242 0.371 1.00 0.00 O ATOM 894 CB LYS A 62 20.608 3.945 1.300 1.00 0.00 C ATOM 895 CG LYS A 62 20.125 5.240 1.954 1.00 0.00 C ATOM 896 CD LYS A 62 19.964 5.013 3.459 1.00 0.00 C ATOM 897 CE LYS A 62 19.505 6.316 4.117 1.00 0.00 C ATOM 898 NZ LYS A 62 20.507 6.772 5.121 1.00 0.00 N ATOM 899 OXT LYS A 62 20.093 2.195 -1.583 1.00 0.00 O ATOM 0 H LYS A 62 18.372 3.128 2.078 1.00 0.00 H new ATOM 0 HA LYS A 62 19.363 4.209 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 62 20.798 3.188 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 62 21.550 4.116 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 62 20.839 6.043 1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 62 19.176 5.550 1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.237 4.222 3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.909 4.685 3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.366 7.085 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.539 6.167 4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.181 7.657 5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.619 6.044 5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.421 6.934 4.651 1.00 0.00 H new TER 913 LYS A 62