USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 393 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 6 THR OG1 : rot 180:sc= 0.0826 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -3.96! C(o=-4!,f=-4.6!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.39 USER MOD Single : A 14 LYS NZ :NH3+ -151:sc= -0.0419 (180deg=-0.39) USER MOD Single : A 21 THR OG1 : rot -130:sc= -0.34 USER MOD Single : A 24 GLN : amide:sc= -0.584 X(o=-0.58,f=-0.24) USER MOD Single : A 25 LYS NZ :NH3+ -104:sc= 0.784 (180deg=-0.79!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00512 USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= -0.367 (180deg=-1.61!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.167 USER MOD Single : A 51 GLN : amide:sc= -3.94! C(o=-3.9!,f=-9.7!) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.1 F(o=-1.9!,f=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N CYS A 5 -7.798 10.444 0.193 1.00 0.00 N ATOM 66 CA CYS A 5 -7.106 10.174 1.484 1.00 0.00 C ATOM 67 C CYS A 5 -6.326 11.413 1.932 1.00 0.00 C ATOM 68 O CYS A 5 -6.528 12.495 1.416 1.00 0.00 O ATOM 69 CB CYS A 5 -6.147 8.998 1.306 1.00 0.00 C ATOM 70 SG CYS A 5 -6.856 7.420 0.764 1.00 0.00 S ATOM 0 HA CYS A 5 -7.847 9.931 2.245 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.385 9.291 0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.639 8.831 2.256 1.00 0.00 H new ATOM 75 N THR A 6 -5.449 11.226 2.879 1.00 0.00 N ATOM 76 CA THR A 6 -4.656 12.386 3.383 1.00 0.00 C ATOM 77 C THR A 6 -3.266 12.427 2.733 1.00 0.00 C ATOM 78 O THR A 6 -3.090 12.979 1.665 1.00 0.00 O ATOM 79 CB THR A 6 -4.499 12.253 4.898 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.513 10.850 5.143 1.00 0.00 O ATOM 81 CG2 THR A 6 -5.714 12.806 5.637 1.00 0.00 C ATOM 0 H THR A 6 -5.247 10.330 3.323 1.00 0.00 H new ATOM 0 HA THR A 6 -5.181 13.307 3.130 1.00 0.00 H new ATOM 0 HB THR A 6 -3.604 12.781 5.228 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.414 10.685 6.104 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.568 12.695 6.711 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.838 13.861 5.395 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.605 12.257 5.333 1.00 0.00 H new ATOM 89 N LYS A 7 -2.310 11.837 3.396 1.00 0.00 N ATOM 90 CA LYS A 7 -0.914 11.844 2.856 1.00 0.00 C ATOM 91 C LYS A 7 -0.844 11.037 1.533 1.00 0.00 C ATOM 92 O LYS A 7 -1.696 10.212 1.271 1.00 0.00 O ATOM 93 CB LYS A 7 0.009 11.200 3.902 1.00 0.00 C ATOM 94 CG LYS A 7 0.732 12.290 4.726 1.00 0.00 C ATOM 95 CD LYS A 7 -0.284 13.051 5.595 1.00 0.00 C ATOM 96 CE LYS A 7 -0.541 12.276 6.897 1.00 0.00 C ATOM 97 NZ LYS A 7 0.259 12.853 8.014 1.00 0.00 N ATOM 0 H LYS A 7 -2.430 11.351 4.285 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.603 12.868 2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.573 10.560 4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.742 10.563 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.495 11.834 5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.244 12.983 4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.094 14.048 5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.218 13.181 5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.602 12.312 7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.281 11.226 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.074 12.318 8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.271 12.796 7.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.009 13.848 8.155 1.00 0.00 H new ATOM 111 N PRO A 8 0.181 11.298 0.720 1.00 0.00 N ATOM 112 CA PRO A 8 0.351 10.580 -0.553 1.00 0.00 C ATOM 113 C PRO A 8 0.449 9.067 -0.312 1.00 0.00 C ATOM 114 O PRO A 8 0.283 8.606 0.797 1.00 0.00 O ATOM 115 CB PRO A 8 1.658 11.115 -1.152 1.00 0.00 C ATOM 116 CG PRO A 8 2.244 12.146 -0.143 1.00 0.00 C ATOM 117 CD PRO A 8 1.226 12.304 1.001 1.00 0.00 C ATOM 0 HA PRO A 8 -0.496 10.737 -1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.363 10.302 -1.323 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.474 11.585 -2.118 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.204 11.802 0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.422 13.103 -0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.691 12.130 1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.809 13.311 1.023 1.00 0.00 H new ATOM 125 N ASN A 9 0.719 8.331 -1.360 1.00 0.00 N ATOM 126 CA ASN A 9 0.820 6.845 -1.214 1.00 0.00 C ATOM 127 C ASN A 9 -0.516 6.281 -0.717 1.00 0.00 C ATOM 128 O ASN A 9 -1.271 5.715 -1.481 1.00 0.00 O ATOM 129 CB ASN A 9 1.939 6.496 -0.221 1.00 0.00 C ATOM 130 CG ASN A 9 3.161 7.381 -0.488 1.00 0.00 C ATOM 131 OD1 ASN A 9 4.065 7.014 -1.219 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.233 8.550 0.086 1.00 0.00 N ATOM 0 H ASN A 9 0.873 8.689 -2.303 1.00 0.00 H new ATOM 0 HA ASN A 9 1.054 6.404 -2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.589 6.641 0.801 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.211 5.445 -0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.042 9.150 -0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.481 8.864 0.699 1.00 0.00 H new ATOM 139 N GLU A 10 -0.781 6.443 0.551 1.00 0.00 N ATOM 140 CA GLU A 10 -2.069 5.929 1.090 1.00 0.00 C ATOM 141 C GLU A 10 -3.220 6.396 0.195 1.00 0.00 C ATOM 142 O GLU A 10 -3.612 7.546 0.236 1.00 0.00 O ATOM 143 CB GLU A 10 -2.270 6.465 2.506 1.00 0.00 C ATOM 144 CG GLU A 10 -1.134 5.963 3.397 1.00 0.00 C ATOM 145 CD GLU A 10 -1.321 4.467 3.659 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.026 4.167 4.608 1.00 0.00 O ATOM 147 OE2 GLU A 10 -0.748 3.709 2.893 1.00 0.00 O ATOM 0 H GLU A 10 -0.171 6.902 1.227 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.050 4.839 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.287 7.555 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.231 6.135 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.173 6.142 2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.126 6.511 4.339 1.00 0.00 H new ATOM 154 N GLN A 11 -3.733 5.488 -0.594 1.00 0.00 N ATOM 155 CA GLN A 11 -4.855 5.843 -1.509 1.00 0.00 C ATOM 156 C GLN A 11 -5.980 4.824 -1.358 1.00 0.00 C ATOM 157 O GLN A 11 -5.798 3.781 -0.765 1.00 0.00 O ATOM 158 CB GLN A 11 -4.349 5.839 -2.951 1.00 0.00 C ATOM 159 CG GLN A 11 -5.130 6.874 -3.758 1.00 0.00 C ATOM 160 CD GLN A 11 -4.689 6.806 -5.222 1.00 0.00 C ATOM 161 OE1 GLN A 11 -3.935 5.938 -5.616 1.00 0.00 O ATOM 162 NE2 GLN A 11 -5.136 7.701 -6.061 1.00 0.00 N ATOM 0 H GLN A 11 -3.423 4.517 -0.643 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.233 6.834 -1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.284 6.068 -2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.472 4.849 -3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.200 6.683 -3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.954 7.873 -3.359 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.769 8.432 -5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.852 7.669 -7.040 1.00 0.00 H new ATOM 171 N TRP A 12 -7.117 5.140 -1.896 1.00 0.00 N ATOM 172 CA TRP A 12 -8.260 4.197 -1.774 1.00 0.00 C ATOM 173 C TRP A 12 -7.919 2.841 -2.366 1.00 0.00 C ATOM 174 O TRP A 12 -7.344 2.755 -3.434 1.00 0.00 O ATOM 175 CB TRP A 12 -9.457 4.746 -2.525 1.00 0.00 C ATOM 176 CG TRP A 12 -10.552 3.674 -2.534 1.00 0.00 C ATOM 177 CD1 TRP A 12 -10.784 2.834 -3.544 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.402 3.472 -1.556 1.00 0.00 C ATOM 179 NE1 TRP A 12 -11.838 2.115 -3.117 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.293 2.463 -1.868 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.481 4.104 -0.334 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.264 2.098 -0.968 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.450 3.735 0.572 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.343 2.733 0.257 1.00 0.00 C ATOM 0 H TRP A 12 -7.307 6.000 -2.410 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.483 4.084 -0.713 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.820 5.656 -2.047 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.177 5.011 -3.544 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.253 2.751 -4.481 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.264 1.374 -3.674 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.782 4.889 -0.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -13.965 1.315 -1.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.510 4.231 1.530 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.104 2.444 0.967 1.00 0.00 H new ATOM 195 N THR A 13 -8.275 1.807 -1.656 1.00 0.00 N ATOM 196 CA THR A 13 -8.024 0.444 -2.186 1.00 0.00 C ATOM 197 C THR A 13 -9.223 -0.451 -1.872 1.00 0.00 C ATOM 198 O THR A 13 -9.727 -0.459 -0.768 1.00 0.00 O ATOM 199 CB THR A 13 -6.753 -0.139 -1.554 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.837 -1.539 -1.802 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.753 -0.001 -0.032 1.00 0.00 C ATOM 0 H THR A 13 -8.724 1.848 -0.741 1.00 0.00 H new ATOM 0 HA THR A 13 -7.885 0.496 -3.266 1.00 0.00 H new ATOM 0 HB THR A 13 -5.877 0.367 -1.959 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.051 -1.986 -1.425 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.835 -0.427 0.372 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.813 1.053 0.238 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.611 -0.531 0.381 1.00 0.00 H new ATOM 209 N LYS A 14 -9.672 -1.174 -2.854 1.00 0.00 N ATOM 210 CA LYS A 14 -10.834 -2.063 -2.612 1.00 0.00 C ATOM 211 C LYS A 14 -10.369 -3.345 -1.911 1.00 0.00 C ATOM 212 O LYS A 14 -11.173 -4.158 -1.493 1.00 0.00 O ATOM 213 CB LYS A 14 -11.492 -2.402 -3.943 1.00 0.00 C ATOM 214 CG LYS A 14 -12.851 -1.697 -4.011 1.00 0.00 C ATOM 215 CD LYS A 14 -13.440 -1.858 -5.411 1.00 0.00 C ATOM 216 CE LYS A 14 -14.793 -2.563 -5.309 1.00 0.00 C ATOM 217 NZ LYS A 14 -14.625 -3.932 -4.743 1.00 0.00 N ATOM 0 H LYS A 14 -9.291 -1.189 -3.800 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.556 -1.556 -1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.858 -2.082 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.620 -3.480 -4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.529 -2.119 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.736 -0.640 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.559 -0.883 -5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.762 -2.435 -6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.466 -1.982 -4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.253 -2.624 -6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.374 -4.554 -5.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.696 -4.310 -5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.688 -3.889 -3.706 1.00 0.00 H new ATOM 231 N CYS A 15 -9.076 -3.494 -1.801 1.00 0.00 N ATOM 232 CA CYS A 15 -8.523 -4.700 -1.121 1.00 0.00 C ATOM 233 C CYS A 15 -7.248 -4.328 -0.356 1.00 0.00 C ATOM 234 O CYS A 15 -6.158 -4.395 -0.891 1.00 0.00 O ATOM 235 CB CYS A 15 -8.191 -5.761 -2.164 1.00 0.00 C ATOM 236 SG CYS A 15 -6.895 -6.955 -1.743 1.00 0.00 S ATOM 0 H CYS A 15 -8.381 -2.835 -2.152 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.263 -5.088 -0.421 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.103 -6.316 -2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.897 -5.252 -3.082 1.00 0.00 H new ATOM 241 N GLY A 16 -7.410 -3.944 0.878 1.00 0.00 N ATOM 242 CA GLY A 16 -6.218 -3.561 1.688 1.00 0.00 C ATOM 243 C GLY A 16 -5.538 -4.805 2.262 1.00 0.00 C ATOM 244 O GLY A 16 -5.711 -5.898 1.761 1.00 0.00 O ATOM 0 H GLY A 16 -8.307 -3.878 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.513 -3.007 1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.520 -2.898 2.499 1.00 0.00 H new ATOM 248 N GLY A 17 -4.778 -4.608 3.308 1.00 0.00 N ATOM 249 CA GLY A 17 -4.080 -5.765 3.941 1.00 0.00 C ATOM 250 C GLY A 17 -2.615 -5.819 3.504 1.00 0.00 C ATOM 251 O GLY A 17 -1.849 -4.918 3.782 1.00 0.00 O ATOM 0 H GLY A 17 -4.612 -3.703 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.138 -5.681 5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.581 -6.693 3.666 1.00 0.00 H new ATOM 255 N CYS A 18 -2.259 -6.876 2.831 1.00 0.00 N ATOM 256 CA CYS A 18 -0.846 -7.012 2.372 1.00 0.00 C ATOM 257 C CYS A 18 -0.645 -6.279 1.043 1.00 0.00 C ATOM 258 O CYS A 18 -1.579 -6.087 0.290 1.00 0.00 O ATOM 259 CB CYS A 18 -0.523 -8.493 2.181 1.00 0.00 C ATOM 260 SG CYS A 18 -0.557 -9.549 3.648 1.00 0.00 S ATOM 0 H CYS A 18 -2.878 -7.647 2.579 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.185 -6.575 3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.228 -8.901 1.456 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.469 -8.566 1.736 1.00 0.00 H new ATOM 265 N GLU A 19 0.571 -5.884 0.786 1.00 0.00 N ATOM 266 CA GLU A 19 0.853 -5.170 -0.492 1.00 0.00 C ATOM 267 C GLU A 19 2.264 -5.515 -0.989 1.00 0.00 C ATOM 268 O GLU A 19 2.851 -6.493 -0.568 1.00 0.00 O ATOM 269 CB GLU A 19 0.732 -3.660 -0.265 1.00 0.00 C ATOM 270 CG GLU A 19 -0.229 -3.071 -1.306 1.00 0.00 C ATOM 271 CD GLU A 19 -1.656 -3.531 -0.997 1.00 0.00 C ATOM 272 OE1 GLU A 19 -2.038 -3.375 0.151 1.00 0.00 O ATOM 273 OE2 GLU A 19 -2.283 -4.011 -1.928 1.00 0.00 O ATOM 0 H GLU A 19 1.375 -6.022 1.398 1.00 0.00 H new ATOM 0 HA GLU A 19 0.132 -5.483 -1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.365 -3.459 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.711 -3.188 -0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.175 -1.982 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.060 -3.392 -2.307 1.00 0.00 H new ATOM 280 N GLY A 20 2.778 -4.705 -1.873 1.00 0.00 N ATOM 281 CA GLY A 20 4.140 -4.979 -2.415 1.00 0.00 C ATOM 282 C GLY A 20 5.223 -4.408 -1.500 1.00 0.00 C ATOM 283 O GLY A 20 4.945 -3.607 -0.629 1.00 0.00 O ATOM 0 H GLY A 20 2.319 -3.872 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.282 -6.054 -2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.233 -4.543 -3.410 1.00 0.00 H new ATOM 287 N THR A 21 6.439 -4.842 -1.721 1.00 0.00 N ATOM 288 CA THR A 21 7.573 -4.338 -0.894 1.00 0.00 C ATOM 289 C THR A 21 8.721 -3.913 -1.812 1.00 0.00 C ATOM 290 O THR A 21 8.654 -4.097 -3.013 1.00 0.00 O ATOM 291 CB THR A 21 8.052 -5.458 0.036 1.00 0.00 C ATOM 292 OG1 THR A 21 7.932 -6.647 -0.739 1.00 0.00 O ATOM 293 CG2 THR A 21 7.106 -5.650 1.217 1.00 0.00 C ATOM 0 H THR A 21 6.693 -5.522 -2.437 1.00 0.00 H new ATOM 0 HA THR A 21 7.246 -3.483 -0.302 1.00 0.00 H new ATOM 0 HB THR A 21 9.052 -5.232 0.406 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.449 -7.326 -0.223 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.478 -6.452 1.854 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.050 -4.726 1.792 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.113 -5.909 0.849 1.00 0.00 H new ATOM 301 N CYS A 22 9.749 -3.355 -1.241 1.00 0.00 N ATOM 302 CA CYS A 22 10.896 -2.925 -2.089 1.00 0.00 C ATOM 303 C CYS A 22 11.669 -4.153 -2.561 1.00 0.00 C ATOM 304 O CYS A 22 12.757 -4.043 -3.091 1.00 0.00 O ATOM 305 CB CYS A 22 11.817 -2.016 -1.278 1.00 0.00 C ATOM 306 SG CYS A 22 13.210 -1.269 -2.149 1.00 0.00 S ATOM 0 H CYS A 22 9.847 -3.179 -0.241 1.00 0.00 H new ATOM 0 HA CYS A 22 10.524 -2.379 -2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.213 -1.213 -0.855 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.211 -2.593 -0.442 1.00 0.00 H new ATOM 311 N ALA A 23 11.083 -5.302 -2.350 1.00 0.00 N ATOM 312 CA ALA A 23 11.755 -6.564 -2.773 1.00 0.00 C ATOM 313 C ALA A 23 10.740 -7.539 -3.396 1.00 0.00 C ATOM 314 O ALA A 23 11.118 -8.476 -4.069 1.00 0.00 O ATOM 315 CB ALA A 23 12.393 -7.211 -1.547 1.00 0.00 C ATOM 0 H ALA A 23 10.173 -5.420 -1.905 1.00 0.00 H new ATOM 0 HA ALA A 23 12.514 -6.333 -3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.889 -8.136 -1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.125 -6.528 -1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.622 -7.431 -0.809 1.00 0.00 H new ATOM 321 N GLN A 24 9.472 -7.293 -3.166 1.00 0.00 N ATOM 322 CA GLN A 24 8.436 -8.205 -3.731 1.00 0.00 C ATOM 323 C GLN A 24 7.197 -7.400 -4.130 1.00 0.00 C ATOM 324 O GLN A 24 6.302 -7.203 -3.333 1.00 0.00 O ATOM 325 CB GLN A 24 8.045 -9.239 -2.672 1.00 0.00 C ATOM 326 CG GLN A 24 8.984 -10.445 -2.767 1.00 0.00 C ATOM 327 CD GLN A 24 8.656 -11.248 -4.028 1.00 0.00 C ATOM 328 OE1 GLN A 24 9.527 -11.592 -4.803 1.00 0.00 O ATOM 329 NE2 GLN A 24 7.415 -11.567 -4.270 1.00 0.00 N ATOM 0 H GLN A 24 9.116 -6.510 -2.618 1.00 0.00 H new ATOM 0 HA GLN A 24 8.838 -8.707 -4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.103 -8.797 -1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.013 -9.555 -2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.021 -10.111 -2.795 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.876 -11.074 -1.884 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.680 -11.281 -3.623 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.180 -12.102 -5.106 1.00 0.00 H new ATOM 338 N LYS A 25 7.184 -6.944 -5.356 1.00 0.00 N ATOM 339 CA LYS A 25 6.009 -6.153 -5.846 1.00 0.00 C ATOM 340 C LYS A 25 4.705 -6.771 -5.319 1.00 0.00 C ATOM 341 O LYS A 25 3.748 -6.073 -5.060 1.00 0.00 O ATOM 342 CB LYS A 25 6.007 -6.169 -7.380 1.00 0.00 C ATOM 343 CG LYS A 25 5.385 -4.868 -7.920 1.00 0.00 C ATOM 344 CD LYS A 25 3.908 -4.786 -7.504 1.00 0.00 C ATOM 345 CE LYS A 25 3.119 -4.035 -8.584 1.00 0.00 C ATOM 346 NZ LYS A 25 3.640 -2.648 -8.742 1.00 0.00 N ATOM 0 H LYS A 25 7.930 -7.083 -6.038 1.00 0.00 H new ATOM 0 HA LYS A 25 6.081 -5.127 -5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.026 -6.276 -7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.443 -7.029 -7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.929 -4.006 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.469 -4.838 -9.006 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.500 -5.788 -7.369 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.816 -4.273 -6.547 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.192 -4.567 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.063 -4.005 -8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.987 -1.978 -8.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.576 -2.576 -8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.720 -2.421 -9.754 1.00 0.00 H new ATOM 360 N ILE A 26 4.706 -8.072 -5.177 1.00 0.00 N ATOM 361 CA ILE A 26 3.487 -8.769 -4.649 1.00 0.00 C ATOM 362 C ILE A 26 3.896 -9.715 -3.515 1.00 0.00 C ATOM 363 O ILE A 26 4.282 -10.843 -3.751 1.00 0.00 O ATOM 364 CB ILE A 26 2.832 -9.583 -5.776 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.327 -8.640 -6.894 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.664 -10.390 -5.205 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.283 -7.638 -6.353 1.00 0.00 C ATOM 0 H ILE A 26 5.492 -8.682 -5.402 1.00 0.00 H new ATOM 0 HA ILE A 26 2.779 -8.029 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 26 3.569 -10.263 -6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.169 -8.096 -7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.886 -9.229 -7.698 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.197 -10.969 -6.002 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.032 -11.066 -4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.930 -9.711 -4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.948 -6.989 -7.162 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.431 -8.184 -5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.733 -7.033 -5.566 1.00 0.00 H new ATOM 379 N VAL A 27 3.803 -9.233 -2.307 1.00 0.00 N ATOM 380 CA VAL A 27 4.199 -10.080 -1.146 1.00 0.00 C ATOM 381 C VAL A 27 3.161 -11.228 -0.931 1.00 0.00 C ATOM 382 O VAL A 27 1.972 -10.979 -0.942 1.00 0.00 O ATOM 383 CB VAL A 27 4.234 -9.199 0.101 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.800 -8.918 0.563 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.988 -9.926 1.211 1.00 0.00 C ATOM 0 H VAL A 27 3.473 -8.297 -2.074 1.00 0.00 H new ATOM 0 HA VAL A 27 5.177 -10.522 -1.335 1.00 0.00 H new ATOM 0 HB VAL A 27 4.736 -8.259 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.821 -8.289 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.256 -8.406 -0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.302 -9.859 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.015 -9.300 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.482 -10.864 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.006 -10.134 0.883 1.00 0.00 H new ATOM 395 N PRO A 28 3.622 -12.476 -0.741 1.00 0.00 N ATOM 396 CA PRO A 28 2.692 -13.597 -0.518 1.00 0.00 C ATOM 397 C PRO A 28 1.914 -13.396 0.789 1.00 0.00 C ATOM 398 O PRO A 28 2.437 -12.866 1.750 1.00 0.00 O ATOM 399 CB PRO A 28 3.575 -14.846 -0.416 1.00 0.00 C ATOM 400 CG PRO A 28 5.057 -14.370 -0.445 1.00 0.00 C ATOM 401 CD PRO A 28 5.050 -12.862 -0.745 1.00 0.00 C ATOM 0 HA PRO A 28 1.959 -13.678 -1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.365 -15.391 0.504 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.374 -15.527 -1.243 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.543 -14.569 0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.619 -14.910 -1.207 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.611 -12.308 0.008 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.513 -12.649 -1.708 1.00 0.00 H new ATOM 409 N CYS A 29 0.681 -13.823 0.798 1.00 0.00 N ATOM 410 CA CYS A 29 -0.135 -13.670 2.039 1.00 0.00 C ATOM 411 C CYS A 29 -1.395 -14.538 1.959 1.00 0.00 C ATOM 412 O CYS A 29 -2.286 -14.274 1.178 1.00 0.00 O ATOM 413 CB CYS A 29 -0.536 -12.204 2.198 1.00 0.00 C ATOM 414 SG CYS A 29 0.583 -11.136 3.137 1.00 0.00 S ATOM 0 H CYS A 29 0.207 -14.266 0.011 1.00 0.00 H new ATOM 0 HA CYS A 29 0.457 -13.989 2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.654 -11.777 1.202 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.515 -12.172 2.677 1.00 0.00 H new ATOM 419 N THR A 30 -1.439 -15.557 2.774 1.00 0.00 N ATOM 420 CA THR A 30 -2.635 -16.449 2.764 1.00 0.00 C ATOM 421 C THR A 30 -3.890 -15.641 3.107 1.00 0.00 C ATOM 422 O THR A 30 -4.999 -16.123 2.982 1.00 0.00 O ATOM 423 CB THR A 30 -2.442 -17.558 3.801 1.00 0.00 C ATOM 424 OG1 THR A 30 -2.043 -16.879 4.987 1.00 0.00 O ATOM 425 CG2 THR A 30 -1.269 -18.465 3.440 1.00 0.00 C ATOM 0 H THR A 30 -0.708 -15.809 3.439 1.00 0.00 H new ATOM 0 HA THR A 30 -2.753 -16.887 1.773 1.00 0.00 H new ATOM 0 HB THR A 30 -3.350 -18.156 3.881 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.901 -17.531 5.705 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.162 -19.241 4.198 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.452 -18.928 2.471 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.354 -17.875 3.393 1.00 0.00 H new ATOM 433 N ARG A 31 -3.685 -14.424 3.534 1.00 0.00 N ATOM 434 CA ARG A 31 -4.849 -13.562 3.889 1.00 0.00 C ATOM 435 C ARG A 31 -5.795 -13.450 2.691 1.00 0.00 C ATOM 436 O ARG A 31 -5.707 -14.224 1.759 1.00 0.00 O ATOM 437 CB ARG A 31 -4.342 -12.168 4.270 1.00 0.00 C ATOM 438 CG ARG A 31 -3.386 -12.280 5.467 1.00 0.00 C ATOM 439 CD ARG A 31 -4.188 -12.267 6.773 1.00 0.00 C ATOM 440 NE ARG A 31 -4.194 -10.883 7.322 1.00 0.00 N ATOM 441 CZ ARG A 31 -3.316 -10.550 8.229 1.00 0.00 C ATOM 442 NH1 ARG A 31 -2.132 -10.157 7.846 1.00 0.00 N ATOM 443 NH2 ARG A 31 -3.651 -10.624 9.487 1.00 0.00 N ATOM 0 H ARG A 31 -2.769 -13.992 3.652 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.386 -14.003 4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.829 -11.712 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.182 -11.520 4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.805 -13.199 5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.677 -11.453 5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.208 -12.605 6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.747 -12.956 7.493 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.878 -10.201 6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.906 -10.114 6.852 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.433 -9.893 8.540 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.586 -10.938 9.748 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.978 -10.368 10.210 1.00 0.00 H new ATOM 457 N GLU A 32 -6.683 -12.487 2.746 1.00 0.00 N ATOM 458 CA GLU A 32 -7.647 -12.300 1.620 1.00 0.00 C ATOM 459 C GLU A 32 -7.572 -10.863 1.108 1.00 0.00 C ATOM 460 O GLU A 32 -6.887 -10.580 0.148 1.00 0.00 O ATOM 461 CB GLU A 32 -9.061 -12.587 2.124 1.00 0.00 C ATOM 462 CG GLU A 32 -9.170 -14.066 2.504 1.00 0.00 C ATOM 463 CD GLU A 32 -10.155 -14.221 3.664 1.00 0.00 C ATOM 464 OE1 GLU A 32 -11.333 -14.314 3.365 1.00 0.00 O ATOM 465 OE2 GLU A 32 -9.672 -14.239 4.784 1.00 0.00 O ATOM 0 H GLU A 32 -6.781 -11.827 3.517 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.396 -12.982 0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.287 -11.960 2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.791 -12.343 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.506 -14.649 1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.192 -14.453 2.789 1.00 0.00 H new ATOM 472 N CYS A 33 -8.272 -9.989 1.772 1.00 0.00 N ATOM 473 CA CYS A 33 -8.271 -8.556 1.346 1.00 0.00 C ATOM 474 C CYS A 33 -9.072 -7.717 2.348 1.00 0.00 C ATOM 475 O CYS A 33 -10.287 -7.726 2.325 1.00 0.00 O ATOM 476 CB CYS A 33 -8.923 -8.437 -0.036 1.00 0.00 C ATOM 477 SG CYS A 33 -7.878 -8.703 -1.494 1.00 0.00 S ATOM 0 H CYS A 33 -8.845 -10.200 2.589 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.243 -8.195 1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.746 -9.150 -0.080 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.360 -7.441 -0.115 1.00 0.00 H new ATOM 482 N LYS A 34 -8.385 -7.013 3.212 1.00 0.00 N ATOM 483 CA LYS A 34 -9.112 -6.177 4.206 1.00 0.00 C ATOM 484 C LYS A 34 -10.233 -5.393 3.490 1.00 0.00 C ATOM 485 O LYS A 34 -10.160 -5.173 2.298 1.00 0.00 O ATOM 486 CB LYS A 34 -8.122 -5.202 4.838 1.00 0.00 C ATOM 487 CG LYS A 34 -7.632 -5.774 6.167 1.00 0.00 C ATOM 488 CD LYS A 34 -6.961 -7.129 5.923 1.00 0.00 C ATOM 489 CE LYS A 34 -5.939 -7.391 7.031 1.00 0.00 C ATOM 490 NZ LYS A 34 -6.355 -6.722 8.295 1.00 0.00 N ATOM 0 H LYS A 34 -7.367 -6.982 3.270 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.554 -6.806 4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.279 -5.035 4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.598 -4.235 4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.927 -5.086 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.469 -5.889 6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.709 -7.921 5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.470 -7.135 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.840 -8.464 7.196 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.959 -7.024 6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.920 -7.208 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.046 -5.729 8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.390 -6.761 8.384 1.00 0.00 H new ATOM 504 N PRO A 35 -11.255 -4.982 4.228 1.00 0.00 N ATOM 505 CA PRO A 35 -12.363 -4.236 3.627 1.00 0.00 C ATOM 506 C PRO A 35 -11.833 -2.972 2.906 1.00 0.00 C ATOM 507 O PRO A 35 -10.725 -2.540 3.152 1.00 0.00 O ATOM 508 CB PRO A 35 -13.274 -3.846 4.800 1.00 0.00 C ATOM 509 CG PRO A 35 -12.626 -4.415 6.099 1.00 0.00 C ATOM 510 CD PRO A 35 -11.380 -5.215 5.680 1.00 0.00 C ATOM 0 HA PRO A 35 -12.895 -4.826 2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.376 -2.763 4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.276 -4.252 4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.353 -3.607 6.777 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.331 -5.054 6.632 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.493 -4.874 6.213 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.497 -6.276 5.902 1.00 0.00 H new ATOM 518 N PRO A 36 -12.646 -2.408 2.025 1.00 0.00 N ATOM 519 CA PRO A 36 -12.258 -1.198 1.283 1.00 0.00 C ATOM 520 C PRO A 36 -11.893 -0.058 2.242 1.00 0.00 C ATOM 521 O PRO A 36 -12.652 0.274 3.132 1.00 0.00 O ATOM 522 CB PRO A 36 -13.494 -0.817 0.466 1.00 0.00 C ATOM 523 CG PRO A 36 -14.593 -1.882 0.749 1.00 0.00 C ATOM 524 CD PRO A 36 -13.991 -2.918 1.711 1.00 0.00 C ATOM 0 HA PRO A 36 -11.383 -1.376 0.658 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.844 0.177 0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.256 -0.786 -0.597 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.475 -1.416 1.189 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.913 -2.359 -0.177 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.596 -3.018 2.612 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.942 -3.904 1.249 1.00 0.00 H new ATOM 532 N ARG A 37 -10.740 0.521 2.033 1.00 0.00 N ATOM 533 CA ARG A 37 -10.306 1.641 2.925 1.00 0.00 C ATOM 534 C ARG A 37 -9.002 2.258 2.398 1.00 0.00 C ATOM 535 O ARG A 37 -8.290 1.645 1.627 1.00 0.00 O ATOM 536 CB ARG A 37 -10.063 1.087 4.336 1.00 0.00 C ATOM 537 CG ARG A 37 -10.117 2.230 5.355 1.00 0.00 C ATOM 538 CD ARG A 37 -11.493 2.242 6.023 1.00 0.00 C ATOM 539 NE ARG A 37 -12.541 2.352 4.971 1.00 0.00 N ATOM 540 CZ ARG A 37 -13.576 3.119 5.174 1.00 0.00 C ATOM 541 NH1 ARG A 37 -14.467 2.755 6.057 1.00 0.00 N ATOM 542 NH2 ARG A 37 -13.688 4.223 4.489 1.00 0.00 N ATOM 0 H ARG A 37 -10.085 0.272 1.292 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.082 2.406 2.947 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.815 0.336 4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.093 0.592 4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.336 2.102 6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.931 3.183 4.861 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.637 1.331 6.605 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.567 3.079 6.717 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.450 1.832 4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.347 1.884 6.574 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.283 3.342 6.230 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.973 4.475 3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.491 4.835 4.635 1.00 0.00 H new ATOM 556 N CYS A 38 -8.735 3.471 2.802 1.00 0.00 N ATOM 557 CA CYS A 38 -7.462 4.126 2.366 1.00 0.00 C ATOM 558 C CYS A 38 -6.270 3.250 2.778 1.00 0.00 C ATOM 559 O CYS A 38 -6.204 2.788 3.901 1.00 0.00 O ATOM 560 CB CYS A 38 -7.343 5.492 3.045 1.00 0.00 C ATOM 561 SG CYS A 38 -8.138 6.904 2.236 1.00 0.00 S ATOM 0 H CYS A 38 -9.333 4.033 3.408 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.466 4.251 1.283 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.756 5.405 4.050 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.283 5.721 3.155 1.00 0.00 H new ATOM 566 N GLU A 39 -5.353 3.036 1.870 1.00 0.00 N ATOM 567 CA GLU A 39 -4.174 2.182 2.224 1.00 0.00 C ATOM 568 C GLU A 39 -3.136 2.183 1.094 1.00 0.00 C ATOM 569 O GLU A 39 -3.254 2.922 0.138 1.00 0.00 O ATOM 570 CB GLU A 39 -4.652 0.752 2.472 1.00 0.00 C ATOM 571 CG GLU A 39 -4.175 0.295 3.852 1.00 0.00 C ATOM 572 CD GLU A 39 -4.489 -1.191 4.029 1.00 0.00 C ATOM 573 OE1 GLU A 39 -5.658 -1.478 4.229 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.542 -1.958 3.956 1.00 0.00 O ATOM 0 H GLU A 39 -5.364 3.405 0.919 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.705 2.586 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.739 0.704 2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.263 0.087 1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.103 0.467 3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.667 0.878 4.631 1.00 0.00 H new ATOM 581 N CYS A 40 -2.142 1.346 1.234 1.00 0.00 N ATOM 582 CA CYS A 40 -1.076 1.283 0.190 1.00 0.00 C ATOM 583 C CYS A 40 -1.613 0.628 -1.092 1.00 0.00 C ATOM 584 O CYS A 40 -2.649 -0.006 -1.079 1.00 0.00 O ATOM 585 CB CYS A 40 0.098 0.471 0.734 1.00 0.00 C ATOM 586 SG CYS A 40 1.741 0.860 0.088 1.00 0.00 S ATOM 0 H CYS A 40 -2.022 0.707 2.020 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.750 2.294 -0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.122 0.596 1.817 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.101 -0.583 0.539 1.00 0.00 H new ATOM 591 N ILE A 41 -0.888 0.800 -2.177 1.00 0.00 N ATOM 592 CA ILE A 41 -1.348 0.211 -3.481 1.00 0.00 C ATOM 593 C ILE A 41 -0.166 -0.412 -4.248 1.00 0.00 C ATOM 594 O ILE A 41 0.687 0.292 -4.752 1.00 0.00 O ATOM 595 CB ILE A 41 -1.955 1.326 -4.343 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.000 2.100 -3.535 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.619 0.708 -5.572 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.342 3.345 -2.930 1.00 0.00 C ATOM 0 H ILE A 41 -0.009 1.316 -2.217 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.084 -0.565 -3.272 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.166 2.010 -4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.833 2.388 -4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.409 1.469 -2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.052 1.497 -6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.875 0.163 -6.152 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.405 0.023 -5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.080 3.902 -2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.523 3.043 -2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.955 3.977 -3.729 1.00 0.00 H new ATOM 610 N ALA A 42 -0.151 -1.717 -4.337 1.00 0.00 N ATOM 611 CA ALA A 42 0.970 -2.387 -5.074 1.00 0.00 C ATOM 612 C ALA A 42 0.780 -2.239 -6.588 1.00 0.00 C ATOM 613 O ALA A 42 1.701 -1.898 -7.301 1.00 0.00 O ATOM 614 CB ALA A 42 0.989 -3.877 -4.721 1.00 0.00 C ATOM 0 H ALA A 42 -0.852 -2.342 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 42 1.910 -1.917 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.803 -4.367 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.137 -3.995 -3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.041 -4.331 -5.009 1.00 0.00 H new ATOM 620 N SER A 43 -0.416 -2.491 -7.039 1.00 0.00 N ATOM 621 CA SER A 43 -0.691 -2.394 -8.503 1.00 0.00 C ATOM 622 C SER A 43 -0.372 -0.991 -9.026 1.00 0.00 C ATOM 623 O SER A 43 -0.486 -0.733 -10.209 1.00 0.00 O ATOM 624 CB SER A 43 -2.166 -2.705 -8.753 1.00 0.00 C ATOM 625 OG SER A 43 -2.615 -3.266 -7.528 1.00 0.00 O ATOM 0 H SER A 43 -1.213 -2.759 -6.462 1.00 0.00 H new ATOM 0 HA SER A 43 -0.058 -3.110 -9.028 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.725 -1.805 -9.008 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.291 -3.403 -9.581 1.00 0.00 H new ATOM 0 HG SER A 43 -3.565 -3.496 -7.602 1.00 0.00 H new ATOM 631 N ALA A 44 0.021 -0.116 -8.140 1.00 0.00 N ATOM 632 CA ALA A 44 0.346 1.275 -8.583 1.00 0.00 C ATOM 633 C ALA A 44 1.861 1.453 -8.704 1.00 0.00 C ATOM 634 O ALA A 44 2.346 1.997 -9.675 1.00 0.00 O ATOM 635 CB ALA A 44 -0.201 2.259 -7.557 1.00 0.00 C ATOM 0 H ALA A 44 0.131 -0.298 -7.142 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.107 1.459 -9.557 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.030 3.277 -7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.282 2.140 -7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.256 2.065 -6.587 1.00 0.00 H new ATOM 641 N GLY A 45 2.572 0.987 -7.711 1.00 0.00 N ATOM 642 CA GLY A 45 4.061 1.117 -7.739 1.00 0.00 C ATOM 643 C GLY A 45 4.589 1.591 -6.381 1.00 0.00 C ATOM 644 O GLY A 45 5.670 2.140 -6.293 1.00 0.00 O ATOM 0 H GLY A 45 2.190 0.525 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.510 0.157 -7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.355 1.823 -8.516 1.00 0.00 H new ATOM 648 N PHE A 46 3.812 1.369 -5.351 1.00 0.00 N ATOM 649 CA PHE A 46 4.250 1.797 -3.986 1.00 0.00 C ATOM 650 C PHE A 46 4.670 0.576 -3.162 1.00 0.00 C ATOM 651 O PHE A 46 4.132 -0.500 -3.332 1.00 0.00 O ATOM 652 CB PHE A 46 3.093 2.500 -3.290 1.00 0.00 C ATOM 653 CG PHE A 46 2.850 3.850 -3.960 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.281 3.915 -5.218 1.00 0.00 C ATOM 655 CD2 PHE A 46 3.197 5.026 -3.319 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.060 5.134 -5.824 1.00 0.00 C ATOM 657 CE2 PHE A 46 2.971 6.245 -3.928 1.00 0.00 C ATOM 658 CZ PHE A 46 2.403 6.296 -5.179 1.00 0.00 C ATOM 0 H PHE A 46 2.900 0.914 -5.394 1.00 0.00 H new ATOM 0 HA PHE A 46 5.099 2.475 -4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.194 1.887 -3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.320 2.641 -2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.007 3.004 -5.730 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.647 4.991 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.616 5.174 -6.808 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.241 7.159 -3.421 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.227 7.250 -5.654 1.00 0.00 H new ATOM 668 N VAL A 47 5.626 0.777 -2.288 1.00 0.00 N ATOM 669 CA VAL A 47 6.103 -0.357 -1.430 1.00 0.00 C ATOM 670 C VAL A 47 5.998 0.022 0.048 1.00 0.00 C ATOM 671 O VAL A 47 5.887 1.181 0.385 1.00 0.00 O ATOM 672 CB VAL A 47 7.555 -0.668 -1.776 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.617 -1.193 -3.207 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.388 0.608 -1.672 1.00 0.00 C ATOM 0 H VAL A 47 6.095 1.669 -2.131 1.00 0.00 H new ATOM 0 HA VAL A 47 5.483 -1.234 -1.614 1.00 0.00 H new ATOM 0 HB VAL A 47 7.948 -1.414 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.651 -1.419 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.016 -2.098 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.229 -0.437 -3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.426 0.386 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.001 1.353 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.332 0.997 -0.655 1.00 0.00 H new ATOM 684 N ARG A 48 6.040 -0.969 0.899 1.00 0.00 N ATOM 685 CA ARG A 48 5.930 -0.680 2.358 1.00 0.00 C ATOM 686 C ARG A 48 7.316 -0.619 3.010 1.00 0.00 C ATOM 687 O ARG A 48 8.168 -1.444 2.746 1.00 0.00 O ATOM 688 CB ARG A 48 5.105 -1.780 3.021 1.00 0.00 C ATOM 689 CG ARG A 48 3.720 -1.825 2.374 1.00 0.00 C ATOM 690 CD ARG A 48 2.807 -2.721 3.211 1.00 0.00 C ATOM 691 NE ARG A 48 2.382 -1.975 4.430 1.00 0.00 N ATOM 692 CZ ARG A 48 1.664 -2.582 5.335 1.00 0.00 C ATOM 693 NH1 ARG A 48 1.934 -3.825 5.626 1.00 0.00 N ATOM 694 NH2 ARG A 48 0.699 -1.924 5.919 1.00 0.00 N ATOM 0 H ARG A 48 6.144 -1.953 0.651 1.00 0.00 H new ATOM 0 HA ARG A 48 5.446 0.288 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.604 -2.743 2.910 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.015 -1.590 4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.303 -0.820 2.308 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.793 -2.208 1.356 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.935 -3.019 2.629 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.331 -3.635 3.492 1.00 0.00 H new ATOM 0 HE ARG A 48 2.650 -0.999 4.555 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.696 -4.307 5.149 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.383 -4.315 6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.517 -0.953 5.665 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.127 -2.381 6.629 1.00 0.00 H new ATOM 708 N ASP A 49 7.505 0.361 3.853 1.00 0.00 N ATOM 709 CA ASP A 49 8.821 0.491 4.546 1.00 0.00 C ATOM 710 C ASP A 49 8.790 -0.289 5.863 1.00 0.00 C ATOM 711 O ASP A 49 7.743 -0.458 6.461 1.00 0.00 O ATOM 712 CB ASP A 49 9.102 1.963 4.830 1.00 0.00 C ATOM 713 CG ASP A 49 10.605 2.161 5.033 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.053 1.824 6.117 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.220 2.637 4.093 1.00 0.00 O ATOM 0 H ASP A 49 6.813 1.071 4.091 1.00 0.00 H new ATOM 0 HA ASP A 49 9.607 0.087 3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.751 2.578 4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.558 2.284 5.718 1.00 0.00 H new ATOM 720 N ALA A 50 9.944 -0.730 6.291 1.00 0.00 N ATOM 721 CA ALA A 50 10.014 -1.520 7.555 1.00 0.00 C ATOM 722 C ALA A 50 9.146 -0.875 8.632 1.00 0.00 C ATOM 723 O ALA A 50 8.600 -1.551 9.481 1.00 0.00 O ATOM 724 CB ALA A 50 11.465 -1.572 8.035 1.00 0.00 C ATOM 0 H ALA A 50 10.837 -0.578 5.822 1.00 0.00 H new ATOM 0 HA ALA A 50 9.648 -2.529 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.522 -2.148 8.959 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.084 -2.046 7.273 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.825 -0.559 8.216 1.00 0.00 H new ATOM 730 N GLN A 51 9.034 0.417 8.572 1.00 0.00 N ATOM 731 CA GLN A 51 8.201 1.123 9.589 1.00 0.00 C ATOM 732 C GLN A 51 6.721 0.980 9.234 1.00 0.00 C ATOM 733 O GLN A 51 5.899 1.769 9.654 1.00 0.00 O ATOM 734 CB GLN A 51 8.582 2.601 9.614 1.00 0.00 C ATOM 735 CG GLN A 51 9.810 2.786 10.509 1.00 0.00 C ATOM 736 CD GLN A 51 10.952 1.911 9.987 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.919 0.701 10.092 1.00 0.00 O ATOM 738 NE2 GLN A 51 11.978 2.482 9.418 1.00 0.00 N ATOM 0 H GLN A 51 9.476 1.014 7.873 1.00 0.00 H new ATOM 0 HA GLN A 51 8.376 0.684 10.571 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.796 2.951 8.604 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.750 3.198 9.989 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.113 3.833 10.518 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.569 2.515 11.537 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.011 3.497 9.327 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.747 1.913 9.064 1.00 0.00 H new ATOM 747 N GLY A 52 6.413 -0.031 8.468 1.00 0.00 N ATOM 748 CA GLY A 52 4.996 -0.240 8.069 1.00 0.00 C ATOM 749 C GLY A 52 4.439 1.038 7.448 1.00 0.00 C ATOM 750 O GLY A 52 3.275 1.350 7.607 1.00 0.00 O ATOM 0 H GLY A 52 7.077 -0.715 8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.927 -1.062 7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.402 -0.522 8.938 1.00 0.00 H new ATOM 754 N ASN A 53 5.289 1.747 6.746 1.00 0.00 N ATOM 755 CA ASN A 53 4.838 3.026 6.102 1.00 0.00 C ATOM 756 C ASN A 53 4.847 2.891 4.577 1.00 0.00 C ATOM 757 O ASN A 53 5.852 2.551 3.988 1.00 0.00 O ATOM 758 CB ASN A 53 5.787 4.150 6.514 1.00 0.00 C ATOM 759 CG ASN A 53 5.337 4.721 7.859 1.00 0.00 C ATOM 760 OD1 ASN A 53 5.752 4.154 8.955 1.00 0.00 O flip ATOM 761 ND2 ASN A 53 4.605 5.690 7.921 1.00 0.00 N flip ATOM 0 H ASN A 53 6.267 1.501 6.590 1.00 0.00 H new ATOM 0 HA ASN A 53 3.822 3.250 6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.807 3.772 6.589 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.792 4.934 5.756 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.277 6.137 7.065 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.319 6.055 8.829 1.00 0.00 H new ATOM 768 N CYS A 54 3.723 3.164 3.971 1.00 0.00 N ATOM 769 CA CYS A 54 3.654 3.058 2.485 1.00 0.00 C ATOM 770 C CYS A 54 4.438 4.196 1.836 1.00 0.00 C ATOM 771 O CYS A 54 4.246 5.351 2.159 1.00 0.00 O ATOM 772 CB CYS A 54 2.199 3.124 2.037 1.00 0.00 C ATOM 773 SG CYS A 54 1.868 2.867 0.276 1.00 0.00 S ATOM 0 H CYS A 54 2.860 3.452 4.433 1.00 0.00 H new ATOM 0 HA CYS A 54 4.091 2.108 2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.637 2.378 2.599 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.802 4.100 2.317 1.00 0.00 H new ATOM 778 N ILE A 55 5.306 3.843 0.930 1.00 0.00 N ATOM 779 CA ILE A 55 6.115 4.888 0.247 1.00 0.00 C ATOM 780 C ILE A 55 6.357 4.500 -1.212 1.00 0.00 C ATOM 781 O ILE A 55 6.369 3.335 -1.554 1.00 0.00 O ATOM 782 CB ILE A 55 7.457 5.033 0.969 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.084 3.640 1.154 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.220 5.679 2.340 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.605 3.775 1.316 1.00 0.00 C ATOM 0 H ILE A 55 5.489 2.884 0.635 1.00 0.00 H new ATOM 0 HA ILE A 55 5.575 5.835 0.273 1.00 0.00 H new ATOM 0 HB ILE A 55 8.131 5.658 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.657 3.152 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.854 3.010 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.171 5.786 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.767 6.661 2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.553 5.049 2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.046 2.787 1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.025 4.245 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.825 4.389 2.189 1.00 0.00 H new ATOM 797 N LYS A 56 6.545 5.486 -2.039 1.00 0.00 N ATOM 798 CA LYS A 56 6.788 5.195 -3.482 1.00 0.00 C ATOM 799 C LYS A 56 7.942 4.196 -3.635 1.00 0.00 C ATOM 800 O LYS A 56 8.705 3.980 -2.715 1.00 0.00 O ATOM 801 CB LYS A 56 7.158 6.495 -4.197 1.00 0.00 C ATOM 802 CG LYS A 56 6.490 7.672 -3.485 1.00 0.00 C ATOM 803 CD LYS A 56 6.338 8.835 -4.468 1.00 0.00 C ATOM 804 CE LYS A 56 5.750 10.041 -3.730 1.00 0.00 C ATOM 805 NZ LYS A 56 6.833 10.843 -3.094 1.00 0.00 N ATOM 0 H LYS A 56 6.542 6.474 -1.785 1.00 0.00 H new ATOM 0 HA LYS A 56 5.885 4.767 -3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.240 6.625 -4.202 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.837 6.455 -5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.514 7.374 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.088 7.981 -2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.306 9.093 -4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.688 8.546 -5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.190 10.664 -4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.046 9.702 -2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.417 11.657 -2.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.350 10.250 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.489 11.182 -3.826 1.00 0.00 H new ATOM 819 N PHE A 57 8.043 3.607 -4.797 1.00 0.00 N ATOM 820 CA PHE A 57 9.147 2.630 -5.030 1.00 0.00 C ATOM 821 C PHE A 57 10.494 3.360 -5.044 1.00 0.00 C ATOM 822 O PHE A 57 11.482 2.857 -4.550 1.00 0.00 O ATOM 823 CB PHE A 57 8.931 1.941 -6.376 1.00 0.00 C ATOM 824 CG PHE A 57 8.972 0.421 -6.189 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.154 -0.213 -5.851 1.00 0.00 C ATOM 826 CD2 PHE A 57 7.826 -0.339 -6.359 1.00 0.00 C ATOM 827 CE1 PHE A 57 10.191 -1.582 -5.683 1.00 0.00 C ATOM 828 CE2 PHE A 57 7.865 -1.709 -6.192 1.00 0.00 C ATOM 829 CZ PHE A 57 9.048 -2.329 -5.854 1.00 0.00 C ATOM 0 H PHE A 57 7.416 3.758 -5.587 1.00 0.00 H new ATOM 0 HA PHE A 57 9.149 1.889 -4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.972 2.240 -6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.701 2.251 -7.082 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.055 0.368 -5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.897 0.143 -6.624 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.118 -2.068 -5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.968 -2.295 -6.326 1.00 0.00 H new ATOM 0 HZ PHE A 57 9.078 -3.401 -5.723 1.00 0.00 H new ATOM 839 N GLU A 58 10.500 4.537 -5.613 1.00 0.00 N ATOM 840 CA GLU A 58 11.770 5.319 -5.673 1.00 0.00 C ATOM 841 C GLU A 58 12.283 5.619 -4.262 1.00 0.00 C ATOM 842 O GLU A 58 13.465 5.806 -4.057 1.00 0.00 O ATOM 843 CB GLU A 58 11.514 6.633 -6.410 1.00 0.00 C ATOM 844 CG GLU A 58 11.334 6.347 -7.901 1.00 0.00 C ATOM 845 CD GLU A 58 10.083 5.491 -8.104 1.00 0.00 C ATOM 846 OE1 GLU A 58 9.025 5.988 -7.753 1.00 0.00 O ATOM 847 OE2 GLU A 58 10.254 4.390 -8.597 1.00 0.00 O ATOM 0 H GLU A 58 9.688 4.987 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 58 12.522 4.733 -6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.624 7.120 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.348 7.318 -6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.243 7.282 -8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.210 5.830 -8.292 1.00 0.00 H new ATOM 854 N ASP A 59 11.383 5.656 -3.319 1.00 0.00 N ATOM 855 CA ASP A 59 11.806 5.942 -1.917 1.00 0.00 C ATOM 856 C ASP A 59 12.574 4.746 -1.348 1.00 0.00 C ATOM 857 O ASP A 59 12.855 4.687 -0.169 1.00 0.00 O ATOM 858 CB ASP A 59 10.569 6.208 -1.061 1.00 0.00 C ATOM 859 CG ASP A 59 9.993 7.582 -1.415 1.00 0.00 C ATOM 860 OD1 ASP A 59 9.707 7.762 -2.586 1.00 0.00 O ATOM 861 OD2 ASP A 59 9.871 8.371 -0.493 1.00 0.00 O ATOM 0 H ASP A 59 10.384 5.503 -3.454 1.00 0.00 H new ATOM 0 HA ASP A 59 12.455 6.818 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.822 5.433 -1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.830 6.172 -0.003 1.00 0.00 H new ATOM 866 N CYS A 60 12.891 3.816 -2.206 1.00 0.00 N ATOM 867 CA CYS A 60 13.641 2.612 -1.741 1.00 0.00 C ATOM 868 C CYS A 60 15.075 3.017 -1.320 1.00 0.00 C ATOM 869 O CYS A 60 15.585 4.024 -1.771 1.00 0.00 O ATOM 870 CB CYS A 60 13.710 1.613 -2.897 1.00 0.00 C ATOM 871 SG CYS A 60 12.406 0.369 -3.006 1.00 0.00 S ATOM 0 H CYS A 60 12.666 3.835 -3.201 1.00 0.00 H new ATOM 0 HA CYS A 60 13.136 2.165 -0.884 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.714 2.178 -3.829 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.666 1.093 -2.835 1.00 0.00 H new