USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 404 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 48 MET CE :methyl 175:sc= -0.316 (180deg=-0.468) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= -0.0118 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= 0.405 (180deg=0.298) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0566 X(o=-0.057,f=-0.053) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.341 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 3.041 -2.628 28.579 1.00 0.00 N ATOM 2 CA GLY A 19 2.423 -3.027 27.296 1.00 0.00 C ATOM 3 C GLY A 19 3.321 -2.728 26.104 1.00 0.00 C ATOM 4 O GLY A 19 4.444 -2.234 26.248 1.00 0.00 O ATOM 0 HA2 GLY A 19 2.198 -4.093 27.320 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.475 -2.504 27.174 1.00 0.00 H new ATOM 10 N ASP A 20 2.828 -3.037 24.902 1.00 0.00 N ATOM 11 CA ASP A 20 3.495 -2.742 23.625 1.00 0.00 C ATOM 12 C ASP A 20 3.545 -1.230 23.315 1.00 0.00 C ATOM 13 O ASP A 20 2.729 -0.443 23.810 1.00 0.00 O ATOM 14 CB ASP A 20 2.772 -3.481 22.486 1.00 0.00 C ATOM 15 CG ASP A 20 2.886 -5.008 22.619 1.00 0.00 C ATOM 16 OD1 ASP A 20 3.967 -5.562 22.308 1.00 0.00 O ATOM 17 OD2 ASP A 20 1.895 -5.659 23.030 1.00 0.00 O ATOM 0 H ASP A 20 1.932 -3.511 24.784 1.00 0.00 H new ATOM 0 HA ASP A 20 4.526 -3.087 23.709 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.720 -3.196 22.481 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.191 -3.169 21.529 1.00 0.00 H new ATOM 22 N LYS A 21 4.491 -0.837 22.452 1.00 0.00 N ATOM 23 CA LYS A 21 4.707 0.542 21.965 1.00 0.00 C ATOM 24 C LYS A 21 4.963 0.650 20.452 1.00 0.00 C ATOM 25 O LYS A 21 5.004 1.753 19.909 1.00 0.00 O ATOM 26 CB LYS A 21 5.797 1.249 22.800 1.00 0.00 C ATOM 27 CG LYS A 21 7.189 0.577 22.825 1.00 0.00 C ATOM 28 CD LYS A 21 7.385 -0.515 23.897 1.00 0.00 C ATOM 29 CE LYS A 21 7.321 0.049 25.323 1.00 0.00 C ATOM 30 NZ LYS A 21 7.293 -1.035 26.340 1.00 0.00 N ATOM 0 H LYS A 21 5.159 -1.497 22.053 1.00 0.00 H new ATOM 0 HA LYS A 21 3.764 1.068 22.112 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.914 2.264 22.419 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.440 1.333 23.826 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.377 0.137 21.846 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.943 1.350 22.978 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.618 -1.280 23.777 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.348 -1.002 23.744 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.183 0.692 25.500 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.432 0.671 25.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.505 -0.637 27.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.350 -1.473 26.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.005 -1.754 26.100 1.00 0.00 H new ATOM 44 N GLU A 22 5.095 -0.481 19.758 1.00 0.00 N ATOM 45 CA GLU A 22 5.107 -0.570 18.295 1.00 0.00 C ATOM 46 C GLU A 22 3.685 -0.353 17.739 1.00 0.00 C ATOM 47 O GLU A 22 2.813 -1.217 17.860 1.00 0.00 O ATOM 48 CB GLU A 22 5.717 -1.923 17.881 1.00 0.00 C ATOM 49 CG GLU A 22 5.976 -2.065 16.375 1.00 0.00 C ATOM 50 CD GLU A 22 4.723 -2.485 15.577 1.00 0.00 C ATOM 51 OE1 GLU A 22 4.311 -3.668 15.670 1.00 0.00 O ATOM 52 OE2 GLU A 22 4.158 -1.642 14.838 1.00 0.00 O ATOM 0 H GLU A 22 5.200 -1.389 20.211 1.00 0.00 H new ATOM 0 HA GLU A 22 5.728 0.216 17.866 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.657 -2.063 18.414 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.048 -2.722 18.200 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.345 -1.116 15.986 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.763 -2.802 16.217 1.00 0.00 H new ATOM 59 N GLU A 23 3.444 0.825 17.163 1.00 0.00 N ATOM 60 CA GLU A 23 2.248 1.169 16.379 1.00 0.00 C ATOM 61 C GLU A 23 2.606 2.109 15.213 1.00 0.00 C ATOM 62 O GLU A 23 3.701 2.680 15.177 1.00 0.00 O ATOM 63 CB GLU A 23 1.163 1.790 17.283 1.00 0.00 C ATOM 64 CG GLU A 23 1.558 3.132 17.926 1.00 0.00 C ATOM 65 CD GLU A 23 0.487 3.677 18.899 1.00 0.00 C ATOM 66 OE1 GLU A 23 -0.725 3.392 18.734 1.00 0.00 O ATOM 67 OE2 GLU A 23 0.853 4.428 19.838 1.00 0.00 O ATOM 0 H GLU A 23 4.102 1.601 17.230 1.00 0.00 H new ATOM 0 HA GLU A 23 1.844 0.251 15.953 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.258 1.936 16.694 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.918 1.081 18.074 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.498 3.008 18.463 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.734 3.867 17.140 1.00 0.00 H new ATOM 74 N CYS A 24 1.672 2.310 14.279 1.00 0.00 N ATOM 75 CA CYS A 24 1.802 3.275 13.187 1.00 0.00 C ATOM 76 C CYS A 24 0.501 4.062 12.945 1.00 0.00 C ATOM 77 O CYS A 24 -0.594 3.617 13.300 1.00 0.00 O ATOM 78 CB CYS A 24 2.299 2.534 11.940 1.00 0.00 C ATOM 79 SG CYS A 24 1.058 1.695 10.913 1.00 0.00 S ATOM 0 H CYS A 24 0.790 1.798 14.261 1.00 0.00 H new ATOM 0 HA CYS A 24 2.535 4.035 13.457 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.827 3.251 11.311 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.030 1.791 12.259 1.00 0.00 H new ATOM 84 N THR A 25 0.632 5.246 12.343 1.00 0.00 N ATOM 85 CA THR A 25 -0.443 6.253 12.207 1.00 0.00 C ATOM 86 C THR A 25 -0.588 6.826 10.796 1.00 0.00 C ATOM 87 O THR A 25 -1.655 7.320 10.434 1.00 0.00 O ATOM 88 CB THR A 25 -0.192 7.420 13.172 1.00 0.00 C ATOM 89 OG1 THR A 25 1.087 7.974 12.932 1.00 0.00 O ATOM 90 CG2 THR A 25 -0.237 6.971 14.633 1.00 0.00 C ATOM 0 H THR A 25 1.511 5.547 11.922 1.00 0.00 H new ATOM 0 HA THR A 25 -1.367 5.725 12.441 1.00 0.00 H new ATOM 0 HB THR A 25 -0.980 8.153 12.998 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.242 8.719 13.549 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.054 7.827 15.283 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.218 6.550 14.854 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.529 6.215 14.805 1.00 0.00 H new ATOM 98 N VAL A 26 0.475 6.712 9.995 1.00 0.00 N ATOM 99 CA VAL A 26 0.640 7.205 8.611 1.00 0.00 C ATOM 100 C VAL A 26 0.187 8.677 8.469 1.00 0.00 C ATOM 101 O VAL A 26 -0.903 8.955 7.956 1.00 0.00 O ATOM 102 CB VAL A 26 -0.021 6.261 7.583 1.00 0.00 C ATOM 103 CG1 VAL A 26 0.410 6.618 6.153 1.00 0.00 C ATOM 104 CG2 VAL A 26 0.363 4.790 7.815 1.00 0.00 C ATOM 0 H VAL A 26 1.316 6.234 10.318 1.00 0.00 H new ATOM 0 HA VAL A 26 1.706 7.196 8.382 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.096 6.387 7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.069 5.939 5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.113 7.642 5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.493 6.527 6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.126 4.164 7.068 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.444 4.679 7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.043 4.483 8.811 1.00 0.00 H new ATOM 114 N PRO A 27 0.996 9.641 8.953 1.00 0.00 N ATOM 115 CA PRO A 27 0.639 11.060 8.965 1.00 0.00 C ATOM 116 C PRO A 27 0.611 11.672 7.554 1.00 0.00 C ATOM 117 O PRO A 27 1.235 11.168 6.614 1.00 0.00 O ATOM 118 CB PRO A 27 1.694 11.728 9.858 1.00 0.00 C ATOM 119 CG PRO A 27 2.922 10.838 9.679 1.00 0.00 C ATOM 120 CD PRO A 27 2.314 9.443 9.543 1.00 0.00 C ATOM 0 HA PRO A 27 -0.371 11.211 9.345 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.892 12.754 9.548 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.374 11.766 10.899 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.497 11.116 8.796 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.597 10.903 10.533 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.934 8.806 8.912 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.238 8.953 10.514 1.00 0.00 H new ATOM 128 N ILE A 28 -0.096 12.797 7.410 1.00 0.00 N ATOM 129 CA ILE A 28 -0.161 13.573 6.164 1.00 0.00 C ATOM 130 C ILE A 28 1.232 14.091 5.753 1.00 0.00 C ATOM 131 O ILE A 28 2.056 14.453 6.598 1.00 0.00 O ATOM 132 CB ILE A 28 -1.228 14.688 6.281 1.00 0.00 C ATOM 133 CG1 ILE A 28 -1.545 15.291 4.895 1.00 0.00 C ATOM 134 CG2 ILE A 28 -0.834 15.777 7.296 1.00 0.00 C ATOM 135 CD1 ILE A 28 -2.825 16.135 4.870 1.00 0.00 C ATOM 0 H ILE A 28 -0.648 13.202 8.166 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.480 12.920 5.352 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.136 14.225 6.666 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.706 15.910 4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.639 14.483 4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.617 16.534 7.339 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.709 15.328 8.281 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.103 16.241 6.987 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.984 16.526 3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.675 15.516 5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.728 16.964 5.570 1.00 0.00 H new ATOM 147 N GLY A 29 1.505 14.110 4.445 1.00 0.00 N ATOM 148 CA GLY A 29 2.786 14.538 3.866 1.00 0.00 C ATOM 149 C GLY A 29 3.842 13.429 3.714 1.00 0.00 C ATOM 150 O GLY A 29 4.932 13.703 3.202 1.00 0.00 O ATOM 0 H GLY A 29 0.826 13.822 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.595 14.972 2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.201 15.330 4.490 1.00 0.00 H new ATOM 154 N TRP A 30 3.548 12.187 4.120 1.00 0.00 N ATOM 155 CA TRP A 30 4.360 11.005 3.793 1.00 0.00 C ATOM 156 C TRP A 30 4.346 10.720 2.274 1.00 0.00 C ATOM 157 O TRP A 30 3.442 11.153 1.557 1.00 0.00 O ATOM 158 CB TRP A 30 3.835 9.803 4.600 1.00 0.00 C ATOM 159 CG TRP A 30 4.679 8.565 4.514 1.00 0.00 C ATOM 160 CD1 TRP A 30 4.561 7.606 3.570 1.00 0.00 C ATOM 161 CD2 TRP A 30 5.805 8.164 5.354 1.00 0.00 C ATOM 162 NE1 TRP A 30 5.556 6.661 3.738 1.00 0.00 N ATOM 163 CE2 TRP A 30 6.361 6.964 4.816 1.00 0.00 C ATOM 164 CE3 TRP A 30 6.426 8.705 6.500 1.00 0.00 C ATOM 165 CZ2 TRP A 30 7.497 6.351 5.368 1.00 0.00 C ATOM 166 CZ3 TRP A 30 7.559 8.091 7.070 1.00 0.00 C ATOM 167 CH2 TRP A 30 8.100 6.921 6.503 1.00 0.00 C ATOM 0 H TRP A 30 2.731 11.971 4.691 1.00 0.00 H new ATOM 0 HA TRP A 30 5.399 11.191 4.065 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.751 10.096 5.647 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.829 9.564 4.255 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.804 7.581 2.800 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.679 5.844 3.141 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.027 9.603 6.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.903 5.453 4.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.016 8.521 7.949 1.00 0.00 H new ATOM 0 HH2 TRP A 30 8.976 6.463 6.939 1.00 0.00 H new ATOM 178 N SER A 31 5.327 9.962 1.775 1.00 0.00 N ATOM 179 CA SER A 31 5.451 9.530 0.370 1.00 0.00 C ATOM 180 C SER A 31 4.460 8.406 -0.003 1.00 0.00 C ATOM 181 O SER A 31 4.851 7.274 -0.295 1.00 0.00 O ATOM 182 CB SER A 31 6.897 9.093 0.089 1.00 0.00 C ATOM 183 OG SER A 31 7.800 10.158 0.354 1.00 0.00 O ATOM 0 H SER A 31 6.089 9.616 2.358 1.00 0.00 H new ATOM 0 HA SER A 31 5.195 10.384 -0.257 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.150 8.232 0.708 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.992 8.778 -0.950 1.00 0.00 H new ATOM 0 HG SER A 31 8.717 9.863 0.172 1.00 0.00 H new ATOM 189 N GLU A 32 3.158 8.698 0.025 1.00 0.00 N ATOM 190 CA GLU A 32 2.084 7.783 -0.402 1.00 0.00 C ATOM 191 C GLU A 32 2.093 7.473 -1.922 1.00 0.00 C ATOM 192 O GLU A 32 2.577 8.287 -2.718 1.00 0.00 O ATOM 193 CB GLU A 32 0.704 8.300 0.059 1.00 0.00 C ATOM 194 CG GLU A 32 0.443 9.817 0.022 1.00 0.00 C ATOM 195 CD GLU A 32 0.571 10.461 -1.375 1.00 0.00 C ATOM 196 OE1 GLU A 32 -0.335 10.264 -2.220 1.00 0.00 O ATOM 197 OE2 GLU A 32 1.536 11.229 -1.611 1.00 0.00 O ATOM 0 H GLU A 32 2.807 9.598 0.352 1.00 0.00 H new ATOM 0 HA GLU A 32 2.285 6.832 0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.055 7.817 -0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.547 7.961 1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.559 10.009 0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.142 10.309 0.699 1.00 0.00 H new ATOM 204 N PRO A 33 1.556 6.312 -2.355 1.00 0.00 N ATOM 205 CA PRO A 33 1.415 5.976 -3.774 1.00 0.00 C ATOM 206 C PRO A 33 0.265 6.750 -4.443 1.00 0.00 C ATOM 207 O PRO A 33 -0.723 7.111 -3.797 1.00 0.00 O ATOM 208 CB PRO A 33 1.159 4.467 -3.791 1.00 0.00 C ATOM 209 CG PRO A 33 0.414 4.217 -2.480 1.00 0.00 C ATOM 210 CD PRO A 33 1.069 5.213 -1.524 1.00 0.00 C ATOM 0 HA PRO A 33 2.304 6.252 -4.342 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.563 4.171 -4.654 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.090 3.902 -3.838 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.656 4.398 -2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.532 3.189 -2.137 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.353 5.571 -0.784 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.888 4.747 -0.976 1.00 0.00 H new ATOM 218 N VAL A 34 0.362 6.967 -5.760 1.00 0.00 N ATOM 219 CA VAL A 34 -0.681 7.638 -6.562 1.00 0.00 C ATOM 220 C VAL A 34 -1.781 6.664 -7.001 1.00 0.00 C ATOM 221 O VAL A 34 -1.502 5.554 -7.464 1.00 0.00 O ATOM 222 CB VAL A 34 -0.063 8.393 -7.755 1.00 0.00 C ATOM 223 CG1 VAL A 34 0.462 7.485 -8.872 1.00 0.00 C ATOM 224 CG2 VAL A 34 -1.046 9.402 -8.363 1.00 0.00 C ATOM 0 H VAL A 34 1.173 6.681 -6.309 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.162 8.378 -5.923 1.00 0.00 H new ATOM 0 HB VAL A 34 0.793 8.913 -7.325 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.880 8.096 -9.672 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.237 6.829 -8.474 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.356 6.882 -9.266 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.571 9.913 -9.201 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.935 8.878 -8.714 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.331 10.133 -7.607 1.00 0.00 H new ATOM 234 N LYS A 35 -3.044 7.084 -6.865 1.00 0.00 N ATOM 235 CA LYS A 35 -4.223 6.338 -7.339 1.00 0.00 C ATOM 236 C LYS A 35 -4.265 6.306 -8.875 1.00 0.00 C ATOM 237 O LYS A 35 -3.940 7.300 -9.527 1.00 0.00 O ATOM 238 CB LYS A 35 -5.496 6.977 -6.749 1.00 0.00 C ATOM 239 CG LYS A 35 -6.700 6.023 -6.820 1.00 0.00 C ATOM 240 CD LYS A 35 -8.042 6.658 -6.433 1.00 0.00 C ATOM 241 CE LYS A 35 -8.090 7.030 -4.944 1.00 0.00 C ATOM 242 NZ LYS A 35 -9.395 7.639 -4.570 1.00 0.00 N ATOM 0 H LYS A 35 -3.283 7.967 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.162 5.304 -7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.315 7.257 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.727 7.894 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.777 5.632 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.513 5.173 -6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.209 7.551 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.851 5.964 -6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.918 6.139 -4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.284 7.728 -4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.390 7.877 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.547 8.503 -5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.161 6.963 -4.763 1.00 0.00 H new ATOM 256 N GLY A 36 -4.720 5.197 -9.462 1.00 0.00 N ATOM 257 CA GLY A 36 -4.866 5.047 -10.919 1.00 0.00 C ATOM 258 C GLY A 36 -6.099 5.740 -11.530 1.00 0.00 C ATOM 259 O GLY A 36 -6.187 5.850 -12.753 1.00 0.00 O ATOM 0 H GLY A 36 -5.001 4.368 -8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.971 5.442 -11.400 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.912 3.984 -11.156 1.00 0.00 H new ATOM 263 N LEU A 37 -7.039 6.224 -10.700 1.00 0.00 N ATOM 264 CA LEU A 37 -8.273 6.956 -11.065 1.00 0.00 C ATOM 265 C LEU A 37 -9.277 6.160 -11.940 1.00 0.00 C ATOM 266 O LEU A 37 -10.191 6.741 -12.532 1.00 0.00 O ATOM 267 CB LEU A 37 -7.925 8.328 -11.693 1.00 0.00 C ATOM 268 CG LEU A 37 -6.918 9.206 -10.926 1.00 0.00 C ATOM 269 CD1 LEU A 37 -6.679 10.500 -11.704 1.00 0.00 C ATOM 270 CD2 LEU A 37 -7.416 9.578 -9.528 1.00 0.00 C ATOM 0 H LEU A 37 -6.955 6.109 -9.690 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.806 7.114 -10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.531 8.153 -12.694 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.850 8.893 -11.809 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.001 8.627 -10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.967 11.123 -11.163 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.279 10.263 -12.690 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.621 11.037 -11.814 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.670 10.197 -9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.351 10.132 -9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.582 8.671 -8.947 1.00 0.00 H new ATOM 282 N CYS A 38 -9.110 4.839 -12.044 1.00 0.00 N ATOM 283 CA CYS A 38 -9.882 3.967 -12.945 1.00 0.00 C ATOM 284 C CYS A 38 -11.317 3.681 -12.450 1.00 0.00 C ATOM 285 O CYS A 38 -11.676 3.959 -11.300 1.00 0.00 O ATOM 286 CB CYS A 38 -9.140 2.634 -13.124 1.00 0.00 C ATOM 287 SG CYS A 38 -7.358 2.753 -13.426 1.00 0.00 S ATOM 0 H CYS A 38 -8.419 4.330 -11.493 1.00 0.00 H new ATOM 0 HA CYS A 38 -9.973 4.501 -13.891 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.298 2.030 -12.230 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.595 2.097 -13.956 1.00 0.00 H new ATOM 292 N LYS A 39 -12.116 3.037 -13.312 1.00 0.00 N ATOM 293 CA LYS A 39 -13.424 2.436 -12.982 1.00 0.00 C ATOM 294 C LYS A 39 -13.292 1.271 -11.987 1.00 0.00 C ATOM 295 O LYS A 39 -14.042 1.201 -11.012 1.00 0.00 O ATOM 296 CB LYS A 39 -14.115 1.976 -14.281 1.00 0.00 C ATOM 297 CG LYS A 39 -14.512 3.165 -15.178 1.00 0.00 C ATOM 298 CD LYS A 39 -15.062 2.732 -16.547 1.00 0.00 C ATOM 299 CE LYS A 39 -13.953 2.179 -17.454 1.00 0.00 C ATOM 300 NZ LYS A 39 -14.461 1.864 -18.815 1.00 0.00 N ATOM 0 H LYS A 39 -11.864 2.914 -14.293 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.035 3.194 -12.492 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.447 1.314 -14.832 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.004 1.397 -14.033 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.264 3.764 -14.664 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.642 3.805 -15.329 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.831 1.972 -16.407 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.540 3.583 -17.033 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.145 2.907 -17.527 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.531 1.279 -17.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.684 1.493 -19.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.214 1.150 -18.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.840 2.728 -19.252 1.00 0.00 H new ATOM 314 N ALA A 40 -12.344 0.361 -12.232 1.00 0.00 N ATOM 315 CA ALA A 40 -12.039 -0.790 -11.375 1.00 0.00 C ATOM 316 C ALA A 40 -11.210 -0.416 -10.126 1.00 0.00 C ATOM 317 O ALA A 40 -10.508 0.601 -10.100 1.00 0.00 O ATOM 318 CB ALA A 40 -11.298 -1.831 -12.227 1.00 0.00 C ATOM 0 H ALA A 40 -11.748 0.406 -13.059 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.977 -1.193 -10.993 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.058 -2.699 -11.613 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.932 -2.138 -13.059 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.377 -1.395 -12.614 1.00 0.00 H new ATOM 324 N ARG A 41 -11.248 -1.282 -9.101 1.00 0.00 N ATOM 325 CA ARG A 41 -10.533 -1.153 -7.817 1.00 0.00 C ATOM 326 C ARG A 41 -9.788 -2.447 -7.454 1.00 0.00 C ATOM 327 O ARG A 41 -10.341 -3.342 -6.815 1.00 0.00 O ATOM 328 CB ARG A 41 -11.505 -0.715 -6.704 1.00 0.00 C ATOM 329 CG ARG A 41 -12.071 0.693 -6.954 1.00 0.00 C ATOM 330 CD ARG A 41 -12.907 1.216 -5.777 1.00 0.00 C ATOM 331 NE ARG A 41 -14.227 0.555 -5.702 1.00 0.00 N ATOM 332 CZ ARG A 41 -14.643 -0.367 -4.849 1.00 0.00 C ATOM 333 NH1 ARG A 41 -13.876 -0.857 -3.917 1.00 0.00 N ATOM 334 NH2 ARG A 41 -15.860 -0.823 -4.925 1.00 0.00 N ATOM 0 H ARG A 41 -11.806 -2.135 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.775 -0.377 -7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.326 -1.429 -6.638 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.989 -0.733 -5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.248 1.382 -7.144 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.687 0.678 -7.853 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.365 1.052 -4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.045 2.292 -5.880 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.909 0.849 -6.402 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.914 -0.531 -3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.237 -1.567 -3.280 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.493 -0.470 -5.642 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.180 -1.534 -4.267 1.00 0.00 H new ATOM 348 N PHE A 42 -8.529 -2.536 -7.885 1.00 0.00 N ATOM 349 CA PHE A 42 -7.578 -3.596 -7.503 1.00 0.00 C ATOM 350 C PHE A 42 -7.169 -3.490 -6.019 1.00 0.00 C ATOM 351 O PHE A 42 -7.481 -2.497 -5.359 1.00 0.00 O ATOM 352 CB PHE A 42 -6.319 -3.509 -8.390 1.00 0.00 C ATOM 353 CG PHE A 42 -6.534 -3.351 -9.887 1.00 0.00 C ATOM 354 CD1 PHE A 42 -7.583 -4.018 -10.554 1.00 0.00 C ATOM 355 CD2 PHE A 42 -5.657 -2.530 -10.622 1.00 0.00 C ATOM 356 CE1 PHE A 42 -7.771 -3.835 -11.935 1.00 0.00 C ATOM 357 CE2 PHE A 42 -5.843 -2.350 -12.003 1.00 0.00 C ATOM 358 CZ PHE A 42 -6.904 -2.999 -12.659 1.00 0.00 C ATOM 0 H PHE A 42 -8.125 -1.856 -8.529 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.074 -4.556 -7.648 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.719 -2.667 -8.044 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.728 -4.410 -8.227 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.243 -4.671 -10.002 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.837 -2.036 -10.122 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.583 -4.337 -12.440 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.172 -1.714 -12.560 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.053 -2.855 -13.719 1.00 0.00 H new ATOM 368 N THR A 43 -6.402 -4.466 -5.523 1.00 0.00 N ATOM 369 CA THR A 43 -5.896 -4.535 -4.136 1.00 0.00 C ATOM 370 C THR A 43 -4.378 -4.713 -4.137 1.00 0.00 C ATOM 371 O THR A 43 -3.879 -5.756 -4.571 1.00 0.00 O ATOM 372 CB THR A 43 -6.555 -5.690 -3.355 1.00 0.00 C ATOM 373 OG1 THR A 43 -7.960 -5.678 -3.522 1.00 0.00 O ATOM 374 CG2 THR A 43 -6.286 -5.581 -1.854 1.00 0.00 C ATOM 0 H THR A 43 -6.103 -5.259 -6.090 1.00 0.00 H new ATOM 0 HA THR A 43 -6.152 -3.598 -3.641 1.00 0.00 H new ATOM 0 HB THR A 43 -6.123 -6.609 -3.751 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.356 -6.420 -3.019 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.766 -6.412 -1.337 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.212 -5.613 -1.674 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.688 -4.640 -1.480 1.00 0.00 H new ATOM 382 N ARG A 44 -3.626 -3.702 -3.686 1.00 0.00 N ATOM 383 CA ARG A 44 -2.159 -3.724 -3.485 1.00 0.00 C ATOM 384 C ARG A 44 -1.818 -3.510 -2.008 1.00 0.00 C ATOM 385 O ARG A 44 -2.677 -3.104 -1.228 1.00 0.00 O ATOM 386 CB ARG A 44 -1.483 -2.633 -4.336 1.00 0.00 C ATOM 387 CG ARG A 44 -1.611 -2.777 -5.859 1.00 0.00 C ATOM 388 CD ARG A 44 -0.917 -4.001 -6.471 1.00 0.00 C ATOM 389 NE ARG A 44 -1.656 -5.251 -6.237 1.00 0.00 N ATOM 390 CZ ARG A 44 -1.240 -6.481 -6.440 1.00 0.00 C ATOM 391 NH1 ARG A 44 -0.148 -6.760 -7.089 1.00 0.00 N ATOM 392 NH2 ARG A 44 -1.913 -7.474 -5.945 1.00 0.00 N ATOM 0 H ARG A 44 -4.036 -2.801 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.787 -4.700 -3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.900 -1.668 -4.048 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.423 -2.610 -4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.670 -2.817 -6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.204 -1.880 -6.326 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.801 -3.848 -7.544 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.085 -4.093 -6.052 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.604 -5.151 -5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.427 -6.007 -7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.133 -7.732 -7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.759 -7.297 -5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.596 -8.431 -6.098 1.00 0.00 H new ATOM 406 N TYR A 45 -0.561 -3.728 -1.632 1.00 0.00 N ATOM 407 CA TYR A 45 -0.055 -3.536 -0.272 1.00 0.00 C ATOM 408 C TYR A 45 1.266 -2.756 -0.310 1.00 0.00 C ATOM 409 O TYR A 45 2.135 -3.036 -1.133 1.00 0.00 O ATOM 410 CB TYR A 45 0.095 -4.906 0.409 1.00 0.00 C ATOM 411 CG TYR A 45 -1.204 -5.691 0.519 1.00 0.00 C ATOM 412 CD1 TYR A 45 -1.614 -6.543 -0.528 1.00 0.00 C ATOM 413 CD2 TYR A 45 -2.014 -5.563 1.666 1.00 0.00 C ATOM 414 CE1 TYR A 45 -2.819 -7.263 -0.431 1.00 0.00 C ATOM 415 CE2 TYR A 45 -3.213 -6.295 1.774 1.00 0.00 C ATOM 416 CZ TYR A 45 -3.621 -7.145 0.722 1.00 0.00 C ATOM 417 OH TYR A 45 -4.780 -7.854 0.813 1.00 0.00 O ATOM 0 H TYR A 45 0.155 -4.052 -2.282 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.759 -2.946 0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.819 -5.500 -0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.504 -4.760 1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.999 -6.643 -1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.714 -4.901 2.465 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.130 -7.907 -1.241 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.821 -6.206 2.662 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.215 -7.662 1.670 1.00 0.00 H new ATOM 427 N TYR A 46 1.427 -1.765 0.567 1.00 0.00 N ATOM 428 CA TYR A 46 2.586 -0.865 0.586 1.00 0.00 C ATOM 429 C TYR A 46 3.144 -0.709 2.006 1.00 0.00 C ATOM 430 O TYR A 46 2.393 -0.730 2.985 1.00 0.00 O ATOM 431 CB TYR A 46 2.179 0.507 0.020 1.00 0.00 C ATOM 432 CG TYR A 46 1.932 0.574 -1.483 1.00 0.00 C ATOM 433 CD1 TYR A 46 0.682 0.210 -2.024 1.00 0.00 C ATOM 434 CD2 TYR A 46 2.938 1.077 -2.334 1.00 0.00 C ATOM 435 CE1 TYR A 46 0.424 0.381 -3.401 1.00 0.00 C ATOM 436 CE2 TYR A 46 2.685 1.248 -3.709 1.00 0.00 C ATOM 437 CZ TYR A 46 1.421 0.917 -4.244 1.00 0.00 C ATOM 438 OH TYR A 46 1.151 1.142 -5.560 1.00 0.00 O ATOM 0 H TYR A 46 0.746 -1.560 1.298 1.00 0.00 H new ATOM 0 HA TYR A 46 3.371 -1.297 -0.034 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.272 0.832 0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.960 1.225 0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.082 -0.202 -1.381 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.906 1.332 -1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.536 0.102 -3.809 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.460 1.633 -4.356 1.00 0.00 H new ATOM 0 HH TYR A 46 1.945 1.514 -5.998 1.00 0.00 H new ATOM 448 N CYS A 47 4.465 -0.523 2.117 1.00 0.00 N ATOM 449 CA CYS A 47 5.121 -0.173 3.378 1.00 0.00 C ATOM 450 C CYS A 47 5.100 1.352 3.591 1.00 0.00 C ATOM 451 O CYS A 47 5.519 2.120 2.721 1.00 0.00 O ATOM 452 CB CYS A 47 6.547 -0.737 3.420 1.00 0.00 C ATOM 453 SG CYS A 47 7.333 -0.544 5.044 1.00 0.00 S ATOM 0 H CYS A 47 5.109 -0.612 1.331 1.00 0.00 H new ATOM 0 HA CYS A 47 4.568 -0.626 4.201 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.522 -1.794 3.157 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.154 -0.235 2.666 1.00 0.00 H new ATOM 458 N MET A 48 4.613 1.784 4.755 1.00 0.00 N ATOM 459 CA MET A 48 4.285 3.175 5.104 1.00 0.00 C ATOM 460 C MET A 48 5.157 3.729 6.251 1.00 0.00 C ATOM 461 O MET A 48 4.744 4.636 6.975 1.00 0.00 O ATOM 462 CB MET A 48 2.776 3.272 5.406 1.00 0.00 C ATOM 463 CG MET A 48 1.884 2.849 4.226 1.00 0.00 C ATOM 464 SD MET A 48 2.227 3.651 2.629 1.00 0.00 S ATOM 465 CE MET A 48 1.958 5.390 3.068 1.00 0.00 C ATOM 0 H MET A 48 4.425 1.141 5.524 1.00 0.00 H new ATOM 0 HA MET A 48 4.517 3.812 4.251 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.545 2.646 6.268 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.535 4.298 5.684 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.978 1.771 4.095 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.846 3.048 4.493 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.215 6.024 2.219 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.911 5.541 3.330 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.587 5.652 3.919 1.00 0.00 H new ATOM 475 N GLY A 49 6.360 3.168 6.427 1.00 0.00 N ATOM 476 CA GLY A 49 7.312 3.526 7.485 1.00 0.00 C ATOM 477 C GLY A 49 7.195 2.579 8.678 1.00 0.00 C ATOM 478 O GLY A 49 6.342 2.778 9.542 1.00 0.00 O ATOM 0 H GLY A 49 6.708 2.429 5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.327 3.494 7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.129 4.550 7.811 1.00 0.00 H new ATOM 482 N ASN A 50 8.018 1.519 8.693 1.00 0.00 N ATOM 483 CA ASN A 50 7.997 0.398 9.653 1.00 0.00 C ATOM 484 C ASN A 50 6.597 -0.214 9.920 1.00 0.00 C ATOM 485 O ASN A 50 6.337 -0.774 10.986 1.00 0.00 O ATOM 486 CB ASN A 50 8.826 0.749 10.909 1.00 0.00 C ATOM 487 CG ASN A 50 8.272 1.887 11.757 1.00 0.00 C ATOM 488 OD1 ASN A 50 7.354 1.733 12.551 1.00 0.00 O ATOM 489 ND2 ASN A 50 8.848 3.067 11.659 1.00 0.00 N ATOM 0 H ASN A 50 8.758 1.413 7.999 1.00 0.00 H new ATOM 0 HA ASN A 50 8.498 -0.445 9.177 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.905 -0.142 11.532 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.837 1.010 10.596 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.528 3.841 12.242 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.614 3.207 11.001 1.00 0.00 H new ATOM 496 N CYS A 51 5.702 -0.126 8.932 1.00 0.00 N ATOM 497 CA CYS A 51 4.326 -0.625 8.949 1.00 0.00 C ATOM 498 C CYS A 51 3.885 -0.986 7.521 1.00 0.00 C ATOM 499 O CYS A 51 4.370 -0.375 6.570 1.00 0.00 O ATOM 500 CB CYS A 51 3.436 0.493 9.512 1.00 0.00 C ATOM 501 SG CYS A 51 1.961 -0.059 10.401 1.00 0.00 S ATOM 0 H CYS A 51 5.934 0.323 8.046 1.00 0.00 H new ATOM 0 HA CYS A 51 4.247 -1.521 9.565 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.035 1.107 10.184 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.123 1.134 8.688 1.00 0.00 H new ATOM 506 N CYS A 52 2.931 -1.905 7.354 1.00 0.00 N ATOM 507 CA CYS A 52 2.364 -2.293 6.055 1.00 0.00 C ATOM 508 C CYS A 52 0.841 -2.089 6.041 1.00 0.00 C ATOM 509 O CYS A 52 0.162 -2.400 7.023 1.00 0.00 O ATOM 510 CB CYS A 52 2.743 -3.749 5.749 1.00 0.00 C ATOM 511 SG CYS A 52 4.476 -4.000 5.280 1.00 0.00 S ATOM 0 H CYS A 52 2.519 -2.414 8.136 1.00 0.00 H new ATOM 0 HA CYS A 52 2.778 -1.655 5.274 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.527 -4.358 6.627 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.106 -4.114 4.943 1.00 0.00 H new ATOM 516 N LYS A 53 0.303 -1.562 4.931 1.00 0.00 N ATOM 517 CA LYS A 53 -1.129 -1.251 4.759 1.00 0.00 C ATOM 518 C LYS A 53 -1.616 -1.552 3.335 1.00 0.00 C ATOM 519 O LYS A 53 -0.858 -1.436 2.371 1.00 0.00 O ATOM 520 CB LYS A 53 -1.353 0.225 5.150 1.00 0.00 C ATOM 521 CG LYS A 53 -2.832 0.552 5.415 1.00 0.00 C ATOM 522 CD LYS A 53 -3.002 1.988 5.934 1.00 0.00 C ATOM 523 CE LYS A 53 -4.476 2.352 6.174 1.00 0.00 C ATOM 524 NZ LYS A 53 -5.065 1.632 7.338 1.00 0.00 N ATOM 0 H LYS A 53 0.861 -1.334 4.108 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.722 -1.893 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.770 0.453 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.980 0.868 4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.405 0.425 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.237 -0.151 6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.446 2.104 6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.570 2.685 5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.558 3.427 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.053 2.120 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.059 1.915 7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.013 0.606 7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.534 1.872 8.199 1.00 0.00 H new ATOM 538 N VAL A 54 -2.887 -1.939 3.206 1.00 0.00 N ATOM 539 CA VAL A 54 -3.568 -2.159 1.917 1.00 0.00 C ATOM 540 C VAL A 54 -3.922 -0.832 1.224 1.00 0.00 C ATOM 541 O VAL A 54 -4.202 0.172 1.883 1.00 0.00 O ATOM 542 CB VAL A 54 -4.811 -3.051 2.128 1.00 0.00 C ATOM 543 CG1 VAL A 54 -5.970 -2.343 2.836 1.00 0.00 C ATOM 544 CG2 VAL A 54 -5.337 -3.648 0.823 1.00 0.00 C ATOM 0 H VAL A 54 -3.490 -2.114 4.010 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.883 -2.678 1.247 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.448 -3.848 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.805 -3.034 2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.644 -2.006 3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.287 -1.484 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.211 -4.266 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.615 -2.844 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.561 -4.261 0.364 1.00 0.00 H new ATOM 554 N TYR A 55 -3.954 -0.843 -0.109 1.00 0.00 N ATOM 555 CA TYR A 55 -4.369 0.255 -0.986 1.00 0.00 C ATOM 556 C TYR A 55 -5.300 -0.264 -2.093 1.00 0.00 C ATOM 557 O TYR A 55 -5.025 -1.282 -2.732 1.00 0.00 O ATOM 558 CB TYR A 55 -3.132 0.958 -1.566 1.00 0.00 C ATOM 559 CG TYR A 55 -2.551 2.017 -0.644 1.00 0.00 C ATOM 560 CD1 TYR A 55 -1.651 1.669 0.384 1.00 0.00 C ATOM 561 CD2 TYR A 55 -2.962 3.357 -0.789 1.00 0.00 C ATOM 562 CE1 TYR A 55 -1.173 2.657 1.268 1.00 0.00 C ATOM 563 CE2 TYR A 55 -2.486 4.348 0.088 1.00 0.00 C ATOM 564 CZ TYR A 55 -1.595 3.997 1.126 1.00 0.00 C ATOM 565 OH TYR A 55 -1.164 4.947 2.000 1.00 0.00 O ATOM 0 H TYR A 55 -3.674 -1.669 -0.639 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.930 0.987 -0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.366 0.212 -1.779 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.399 1.421 -2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.328 0.644 0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.648 3.625 -1.579 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.483 2.389 2.055 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.801 5.374 -0.032 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.549 5.815 1.756 1.00 0.00 H new ATOM 575 N GLU A 56 -6.418 0.437 -2.306 1.00 0.00 N ATOM 576 CA GLU A 56 -7.510 0.051 -3.211 1.00 0.00 C ATOM 577 C GLU A 56 -7.931 1.231 -4.102 1.00 0.00 C ATOM 578 O GLU A 56 -8.382 2.263 -3.599 1.00 0.00 O ATOM 579 CB GLU A 56 -8.714 -0.483 -2.412 1.00 0.00 C ATOM 580 CG GLU A 56 -8.416 -1.756 -1.605 1.00 0.00 C ATOM 581 CD GLU A 56 -9.682 -2.236 -0.864 1.00 0.00 C ATOM 582 OE1 GLU A 56 -10.571 -2.855 -1.499 1.00 0.00 O ATOM 583 OE2 GLU A 56 -9.804 -1.988 0.361 1.00 0.00 O ATOM 0 H GLU A 56 -6.596 1.324 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.145 -0.747 -3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.058 0.295 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.533 -0.686 -3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.058 -2.541 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.620 -1.560 -0.887 1.00 0.00 H new ATOM 590 N GLY A 57 -7.737 1.115 -5.423 1.00 0.00 N ATOM 591 CA GLY A 57 -7.903 2.235 -6.369 1.00 0.00 C ATOM 592 C GLY A 57 -7.000 2.161 -7.604 1.00 0.00 C ATOM 593 O GLY A 57 -6.255 3.094 -7.901 1.00 0.00 O ATOM 0 H GLY A 57 -7.460 0.241 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.942 2.267 -6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.704 3.170 -5.845 1.00 0.00 H new ATOM 597 N CYS A 58 -7.070 1.046 -8.336 1.00 0.00 N ATOM 598 CA CYS A 58 -6.332 0.805 -9.585 1.00 0.00 C ATOM 599 C CYS A 58 -4.793 0.932 -9.454 1.00 0.00 C ATOM 600 O CYS A 58 -4.092 1.285 -10.405 1.00 0.00 O ATOM 601 CB CYS A 58 -6.938 1.697 -10.672 1.00 0.00 C ATOM 602 SG CYS A 58 -6.647 1.169 -12.381 1.00 0.00 S ATOM 0 H CYS A 58 -7.661 0.258 -8.069 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.452 -0.241 -9.868 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -8.014 1.756 -10.508 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -6.541 2.705 -10.551 1.00 0.00 H new ATOM 607 N TYR A 59 -4.257 0.662 -8.260 1.00 0.00 N ATOM 608 CA TYR A 59 -2.820 0.664 -7.972 1.00 0.00 C ATOM 609 C TYR A 59 -2.129 -0.523 -8.665 1.00 0.00 C ATOM 610 O TYR A 59 -2.658 -1.638 -8.672 1.00 0.00 O ATOM 611 CB TYR A 59 -2.598 0.613 -6.451 1.00 0.00 C ATOM 612 CG TYR A 59 -3.070 1.844 -5.698 1.00 0.00 C ATOM 613 CD1 TYR A 59 -2.208 2.945 -5.536 1.00 0.00 C ATOM 614 CD2 TYR A 59 -4.370 1.889 -5.156 1.00 0.00 C ATOM 615 CE1 TYR A 59 -2.652 4.094 -4.853 1.00 0.00 C ATOM 616 CE2 TYR A 59 -4.822 3.045 -4.487 1.00 0.00 C ATOM 617 CZ TYR A 59 -3.962 4.154 -4.339 1.00 0.00 C ATOM 618 OH TYR A 59 -4.390 5.278 -3.702 1.00 0.00 O ATOM 0 H TYR A 59 -4.826 0.430 -7.446 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.379 1.582 -8.361 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.114 -0.260 -6.052 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.535 0.471 -6.258 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.205 2.909 -5.936 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.023 1.034 -5.253 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.985 4.933 -4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.825 3.082 -4.088 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.317 5.155 -3.410 1.00 0.00 H new ATOM 628 N THR A 60 -0.935 -0.300 -9.220 1.00 0.00 N ATOM 629 CA THR A 60 -0.145 -1.308 -9.964 1.00 0.00 C ATOM 630 C THR A 60 1.287 -1.489 -9.438 1.00 0.00 C ATOM 631 O THR A 60 2.000 -2.388 -9.887 1.00 0.00 O ATOM 632 CB THR A 60 -0.115 -0.982 -11.470 1.00 0.00 C ATOM 633 OG1 THR A 60 0.360 0.333 -11.696 1.00 0.00 O ATOM 634 CG2 THR A 60 -1.503 -1.081 -12.106 1.00 0.00 C ATOM 0 H THR A 60 -0.471 0.607 -9.168 1.00 0.00 H new ATOM 0 HA THR A 60 -0.657 -2.256 -9.802 1.00 0.00 H new ATOM 0 HB THR A 60 0.551 -1.717 -11.923 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.372 0.516 -12.659 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.435 -0.843 -13.168 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.887 -2.094 -11.985 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.177 -0.377 -11.619 1.00 0.00 H new ATOM 642 N GLY A 61 1.705 -0.670 -8.466 1.00 0.00 N ATOM 643 CA GLY A 61 2.977 -0.775 -7.743 1.00 0.00 C ATOM 644 C GLY A 61 2.834 -1.500 -6.399 1.00 0.00 C ATOM 645 O GLY A 61 1.809 -2.127 -6.113 1.00 0.00 O ATOM 0 H GLY A 61 1.141 0.118 -8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.700 -1.306 -8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.377 0.224 -7.572 1.00 0.00 H new ATOM 649 N GLY A 62 3.875 -1.417 -5.568 1.00 0.00 N ATOM 650 CA GLY A 62 3.902 -2.025 -4.234 1.00 0.00 C ATOM 651 C GLY A 62 4.003 -3.555 -4.253 1.00 0.00 C ATOM 652 O GLY A 62 4.279 -4.185 -5.280 1.00 0.00 O ATOM 0 H GLY A 62 4.734 -0.920 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.748 -1.621 -3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.000 -1.736 -3.695 1.00 0.00 H new ATOM 656 N TYR A 63 3.814 -4.156 -3.082 1.00 0.00 N ATOM 657 CA TYR A 63 3.759 -5.600 -2.860 1.00 0.00 C ATOM 658 C TYR A 63 2.380 -6.169 -3.238 1.00 0.00 C ATOM 659 O TYR A 63 1.348 -5.507 -3.084 1.00 0.00 O ATOM 660 CB TYR A 63 4.076 -5.877 -1.382 1.00 0.00 C ATOM 661 CG TYR A 63 5.441 -5.367 -0.951 1.00 0.00 C ATOM 662 CD1 TYR A 63 6.596 -6.122 -1.236 1.00 0.00 C ATOM 663 CD2 TYR A 63 5.556 -4.126 -0.293 1.00 0.00 C ATOM 664 CE1 TYR A 63 7.866 -5.637 -0.867 1.00 0.00 C ATOM 665 CE2 TYR A 63 6.823 -3.643 0.087 1.00 0.00 C ATOM 666 CZ TYR A 63 7.982 -4.394 -0.205 1.00 0.00 C ATOM 667 OH TYR A 63 9.205 -3.906 0.140 1.00 0.00 O ATOM 0 H TYR A 63 3.689 -3.625 -2.220 1.00 0.00 H new ATOM 0 HA TYR A 63 4.494 -6.093 -3.496 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.310 -5.413 -0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.024 -6.951 -1.202 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.507 -7.074 -1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.671 -3.545 -0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.751 -6.215 -1.090 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.908 -2.698 0.602 1.00 0.00 H new ATOM 0 HH TYR A 63 9.098 -3.040 0.586 1.00 0.00 H new ATOM 677 N SER A 64 2.345 -7.424 -3.702 1.00 0.00 N ATOM 678 CA SER A 64 1.090 -8.084 -4.103 1.00 0.00 C ATOM 679 C SER A 64 0.253 -8.592 -2.919 1.00 0.00 C ATOM 680 O SER A 64 -0.958 -8.788 -3.052 1.00 0.00 O ATOM 681 CB SER A 64 1.387 -9.225 -5.085 1.00 0.00 C ATOM 682 OG SER A 64 0.249 -9.488 -5.892 1.00 0.00 O ATOM 0 H SER A 64 3.174 -8.008 -3.811 1.00 0.00 H new ATOM 0 HA SER A 64 0.482 -7.323 -4.592 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.235 -8.960 -5.716 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.667 -10.124 -4.535 1.00 0.00 H new ATOM 0 HG SER A 64 0.451 -10.217 -6.515 1.00 0.00 H new ATOM 688 N ARG A 65 0.878 -8.769 -1.743 1.00 0.00 N ATOM 689 CA ARG A 65 0.279 -9.277 -0.492 1.00 0.00 C ATOM 690 C ARG A 65 0.836 -8.559 0.743 1.00 0.00 C ATOM 691 O ARG A 65 1.950 -8.031 0.717 1.00 0.00 O ATOM 692 CB ARG A 65 0.550 -10.789 -0.388 1.00 0.00 C ATOM 693 CG ARG A 65 -0.233 -11.644 -1.396 1.00 0.00 C ATOM 694 CD ARG A 65 -1.717 -11.767 -1.031 1.00 0.00 C ATOM 695 NE ARG A 65 -2.412 -12.704 -1.936 1.00 0.00 N ATOM 696 CZ ARG A 65 -3.553 -13.335 -1.718 1.00 0.00 C ATOM 697 NH1 ARG A 65 -4.245 -13.161 -0.626 1.00 0.00 N ATOM 698 NH2 ARG A 65 -4.026 -14.166 -2.602 1.00 0.00 N ATOM 0 H ARG A 65 1.868 -8.551 -1.631 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.793 -9.084 -0.522 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.616 -10.966 -0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.304 -11.121 0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.141 -11.205 -2.389 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.210 -12.639 -1.445 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.814 -12.112 -0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.190 -10.787 -1.085 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.960 -12.885 -2.832 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.910 -12.521 0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.122 -13.665 -0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.515 -14.333 -3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.907 -14.650 -2.427 1.00 0.00 H new ATOM 712 N MET A 66 0.095 -8.613 1.851 1.00 0.00 N ATOM 713 CA MET A 66 0.516 -8.066 3.149 1.00 0.00 C ATOM 714 C MET A 66 1.777 -8.762 3.692 1.00 0.00 C ATOM 715 O MET A 66 2.677 -8.094 4.198 1.00 0.00 O ATOM 716 CB MET A 66 -0.646 -8.174 4.151 1.00 0.00 C ATOM 717 CG MET A 66 -0.382 -7.392 5.446 1.00 0.00 C ATOM 718 SD MET A 66 -0.360 -5.585 5.259 1.00 0.00 S ATOM 719 CE MET A 66 -2.134 -5.238 5.408 1.00 0.00 C ATOM 0 H MET A 66 -0.829 -9.044 1.876 1.00 0.00 H new ATOM 0 HA MET A 66 0.777 -7.017 3.007 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.558 -7.802 3.685 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.817 -9.223 4.393 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.147 -7.658 6.176 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.576 -7.712 5.857 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.304 -4.165 5.316 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.674 -5.760 4.618 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.491 -5.580 6.379 1.00 0.00 H new ATOM 729 N GLY A 67 1.880 -10.089 3.551 1.00 0.00 N ATOM 730 CA GLY A 67 3.043 -10.871 4.002 1.00 0.00 C ATOM 731 C GLY A 67 4.316 -10.556 3.211 1.00 0.00 C ATOM 732 O GLY A 67 5.399 -10.439 3.783 1.00 0.00 O ATOM 0 H GLY A 67 1.153 -10.658 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.220 -10.673 5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.818 -11.934 3.910 1.00 0.00 H new ATOM 736 N GLU A 68 4.180 -10.352 1.901 1.00 0.00 N ATOM 737 CA GLU A 68 5.255 -9.916 0.999 1.00 0.00 C ATOM 738 C GLU A 68 5.798 -8.530 1.390 1.00 0.00 C ATOM 739 O GLU A 68 7.012 -8.328 1.389 1.00 0.00 O ATOM 740 CB GLU A 68 4.733 -9.931 -0.449 1.00 0.00 C ATOM 741 CG GLU A 68 4.785 -11.299 -1.154 1.00 0.00 C ATOM 742 CD GLU A 68 4.544 -12.520 -0.242 1.00 0.00 C ATOM 743 OE1 GLU A 68 3.368 -12.853 0.047 1.00 0.00 O ATOM 744 OE2 GLU A 68 5.538 -13.166 0.171 1.00 0.00 O ATOM 0 H GLU A 68 3.291 -10.489 1.419 1.00 0.00 H new ATOM 0 HA GLU A 68 6.092 -10.609 1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.701 -9.580 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.313 -9.217 -1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.040 -11.308 -1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.760 -11.408 -1.629 1.00 0.00 H new ATOM 751 N CYS A 69 4.929 -7.599 1.802 1.00 0.00 N ATOM 752 CA CYS A 69 5.341 -6.343 2.437 1.00 0.00 C ATOM 753 C CYS A 69 6.066 -6.592 3.773 1.00 0.00 C ATOM 754 O CYS A 69 7.213 -6.172 3.958 1.00 0.00 O ATOM 755 CB CYS A 69 4.111 -5.434 2.595 1.00 0.00 C ATOM 756 SG CYS A 69 4.453 -3.779 3.252 1.00 0.00 S ATOM 0 H CYS A 69 3.918 -7.696 1.704 1.00 0.00 H new ATOM 0 HA CYS A 69 6.065 -5.836 1.799 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.629 -5.329 1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.396 -5.928 3.253 1.00 0.00 H new ATOM 761 N ALA A 70 5.410 -7.293 4.703 1.00 0.00 N ATOM 762 CA ALA A 70 5.862 -7.489 6.080 1.00 0.00 C ATOM 763 C ALA A 70 7.209 -8.230 6.214 1.00 0.00 C ATOM 764 O ALA A 70 7.956 -7.958 7.156 1.00 0.00 O ATOM 765 CB ALA A 70 4.752 -8.219 6.846 1.00 0.00 C ATOM 0 H ALA A 70 4.521 -7.754 4.510 1.00 0.00 H new ATOM 0 HA ALA A 70 6.054 -6.504 6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.066 -8.377 7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.843 -7.617 6.831 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.557 -9.182 6.374 1.00 0.00 H new ATOM 771 N ARG A 71 7.544 -9.141 5.284 1.00 0.00 N ATOM 772 CA ARG A 71 8.835 -9.858 5.271 1.00 0.00 C ATOM 773 C ARG A 71 10.008 -9.042 4.704 1.00 0.00 C ATOM 774 O ARG A 71 11.162 -9.393 4.954 1.00 0.00 O ATOM 775 CB ARG A 71 8.684 -11.224 4.571 1.00 0.00 C ATOM 776 CG ARG A 71 8.773 -11.186 3.036 1.00 0.00 C ATOM 777 CD ARG A 71 8.538 -12.585 2.447 1.00 0.00 C ATOM 778 NE ARG A 71 9.168 -12.739 1.121 1.00 0.00 N ATOM 779 CZ ARG A 71 10.424 -13.066 0.867 1.00 0.00 C ATOM 780 NH1 ARG A 71 11.293 -13.280 1.815 1.00 0.00 N ATOM 781 NH2 ARG A 71 10.843 -13.189 -0.359 1.00 0.00 N ATOM 0 H ARG A 71 6.926 -9.403 4.516 1.00 0.00 H new ATOM 0 HA ARG A 71 9.103 -10.025 6.314 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.456 -11.895 4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.723 -11.655 4.853 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.033 -10.490 2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.753 -10.817 2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.937 -13.337 3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.467 -12.768 2.363 1.00 0.00 H new ATOM 0 HE ARG A 71 8.569 -12.575 0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.013 -13.197 2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.253 -13.530 1.580 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.200 -13.033 -1.136 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.814 -13.442 -0.543 1.00 0.00 H new ATOM 795 N ASN A 72 9.730 -7.977 3.945 1.00 0.00 N ATOM 796 CA ASN A 72 10.734 -7.106 3.320 1.00 0.00 C ATOM 797 C ASN A 72 10.996 -5.828 4.136 1.00 0.00 C ATOM 798 O ASN A 72 12.155 -5.485 4.379 1.00 0.00 O ATOM 799 CB ASN A 72 10.306 -6.785 1.879 1.00 0.00 C ATOM 800 CG ASN A 72 10.635 -7.923 0.928 1.00 0.00 C ATOM 801 OD1 ASN A 72 11.784 -8.156 0.575 1.00 0.00 O ATOM 802 ND2 ASN A 72 9.654 -8.665 0.472 1.00 0.00 N ATOM 0 H ASN A 72 8.773 -7.688 3.742 1.00 0.00 H new ATOM 0 HA ASN A 72 11.683 -7.641 3.298 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.234 -6.588 1.853 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.806 -5.876 1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.851 -9.431 -0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.694 -8.476 0.762 1.00 0.00 H new ATOM 809 N CYS A 73 9.943 -5.133 4.583 1.00 0.00 N ATOM 810 CA CYS A 73 10.056 -4.065 5.586 1.00 0.00 C ATOM 811 C CYS A 73 10.415 -4.633 6.990 1.00 0.00 C ATOM 812 O CYS A 73 10.385 -5.854 7.181 1.00 0.00 O ATOM 813 CB CYS A 73 8.773 -3.209 5.546 1.00 0.00 C ATOM 814 SG CYS A 73 9.093 -1.548 4.877 1.00 0.00 S ATOM 0 H CYS A 73 8.989 -5.294 4.260 1.00 0.00 H new ATOM 0 HA CYS A 73 10.890 -3.405 5.348 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.021 -3.709 4.935 1.00 0.00 H new ATOM 0 HB3 CYS A 73 8.361 -3.123 6.552 1.00 0.00 H new ATOM 819 N PRO A 74 10.789 -3.797 7.985 1.00 0.00 N ATOM 820 CA PRO A 74 11.402 -4.276 9.236 1.00 0.00 C ATOM 821 C PRO A 74 10.445 -4.990 10.214 1.00 0.00 C ATOM 822 O PRO A 74 10.915 -5.620 11.166 1.00 0.00 O ATOM 823 CB PRO A 74 12.046 -3.038 9.871 1.00 0.00 C ATOM 824 CG PRO A 74 11.193 -1.887 9.348 1.00 0.00 C ATOM 825 CD PRO A 74 10.846 -2.341 7.931 1.00 0.00 C ATOM 0 HA PRO A 74 12.123 -5.060 9.004 1.00 0.00 H new ATOM 0 HB2 PRO A 74 12.027 -3.089 10.960 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.090 -2.931 9.575 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.300 -1.737 9.955 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.741 -0.945 9.348 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.892 -1.924 7.609 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.598 -2.005 7.217 1.00 0.00 H new ATOM 833 N GLY A 75 9.125 -4.930 9.981 1.00 0.00 N ATOM 834 CA GLY A 75 8.076 -5.629 10.743 1.00 0.00 C ATOM 835 C GLY A 75 7.138 -4.679 11.486 1.00 0.00 C ATOM 836 O GLY A 75 7.526 -4.197 12.573 1.00 0.00 O ATOM 837 OXT GLY A 75 6.021 -4.444 10.976 1.00 0.00 O ATOM 0 H GLY A 75 8.741 -4.367 9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.492 -6.247 10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.545 -6.302 11.461 1.00 0.00 H new TER 841 GLY A 75