USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 433 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 13 TYR OH : rot -129:sc= -1.91! USER MOD Set 1.2: A 24 ASN : amide:sc= -1.16 K(o=-3.1,f=-6.5!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.08 K(o=1.1,f=-0.006) USER MOD Single : A 17 ASN :FLIP amide:sc= -2.86! C(o=-4!,f=-2.9!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.552 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.256 F(o=-1.4,f=-0.26) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.505 X(o=-0.51,f=-0.088) USER MOD Single : A 38 THR OG1 : rot -49:sc= -1.18 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.173 F(o=-0.73,f=-0.17) USER MOD Single : A 57 THR OG1 : rot -86:sc= -6.27! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 152:sc= -9.45! (180deg=-12.5!) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0552) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 6.091 -2.469 8.971 1.00 0.00 N ATOM 105 CA GLU A 8 6.095 -1.058 8.603 1.00 0.00 C ATOM 106 C GLU A 8 4.682 -0.575 8.288 1.00 0.00 C ATOM 107 O GLU A 8 4.072 -1.008 7.311 1.00 0.00 O ATOM 108 CB GLU A 8 7.007 -0.826 7.397 1.00 0.00 C ATOM 109 CG GLU A 8 8.428 -1.324 7.603 1.00 0.00 C ATOM 110 CD GLU A 8 9.429 -0.608 6.717 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.268 -0.657 5.479 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.374 0.001 7.262 1.00 0.00 O ATOM 0 HA GLU A 8 6.475 -0.488 9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.579 -1.324 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.034 0.240 7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.709 -1.188 8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.468 -2.394 7.399 1.00 0.00 H new ATOM 119 N LYS A 9 4.167 0.322 9.124 1.00 0.00 N ATOM 120 CA LYS A 9 2.825 0.859 8.933 1.00 0.00 C ATOM 121 C LYS A 9 2.870 2.352 8.618 1.00 0.00 C ATOM 122 O LYS A 9 3.417 3.143 9.386 1.00 0.00 O ATOM 123 CB LYS A 9 1.974 0.616 10.181 1.00 0.00 C ATOM 124 CG LYS A 9 2.139 1.686 11.249 1.00 0.00 C ATOM 125 CD LYS A 9 1.176 2.842 11.032 1.00 0.00 C ATOM 126 CE LYS A 9 1.728 4.140 11.598 1.00 0.00 C ATOM 127 NZ LYS A 9 0.803 4.754 12.590 1.00 0.00 N ATOM 0 H LYS A 9 4.658 0.691 9.938 1.00 0.00 H new ATOM 0 HA LYS A 9 2.374 0.343 8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.925 0.564 9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.236 -0.353 10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.969 1.249 12.233 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.164 2.058 11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.984 2.961 9.966 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.221 2.615 11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.691 3.949 12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.906 4.843 10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.218 5.637 12.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.108 4.961 12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.653 4.094 13.379 1.00 0.00 H new ATOM 141 N LYS A 10 2.283 2.729 7.486 1.00 0.00 N ATOM 142 CA LYS A 10 2.246 4.125 7.070 1.00 0.00 C ATOM 143 C LYS A 10 0.881 4.478 6.493 1.00 0.00 C ATOM 144 O LYS A 10 -0.058 3.685 6.567 1.00 0.00 O ATOM 145 CB LYS A 10 3.336 4.406 6.031 1.00 0.00 C ATOM 146 CG LYS A 10 4.349 5.447 6.479 1.00 0.00 C ATOM 147 CD LYS A 10 4.699 5.284 7.950 1.00 0.00 C ATOM 148 CE LYS A 10 6.030 5.938 8.282 1.00 0.00 C ATOM 149 NZ LYS A 10 5.852 7.189 9.071 1.00 0.00 N ATOM 0 H LYS A 10 1.826 2.085 6.840 1.00 0.00 H new ATOM 0 HA LYS A 10 2.427 4.744 7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.858 3.477 5.804 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.867 4.742 5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.253 5.360 5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.947 6.446 6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.913 5.725 8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.741 4.224 8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.648 5.238 8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.564 6.164 7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.783 7.605 9.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.284 7.867 8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.365 6.970 9.964 1.00 0.00 H new ATOM 163 N GLU A 11 0.778 5.668 5.915 1.00 0.00 N ATOM 164 CA GLU A 11 -0.474 6.121 5.322 1.00 0.00 C ATOM 165 C GLU A 11 -0.634 5.560 3.915 1.00 0.00 C ATOM 166 O GLU A 11 0.288 5.622 3.103 1.00 0.00 O ATOM 167 CB GLU A 11 -0.525 7.648 5.286 1.00 0.00 C ATOM 168 CG GLU A 11 0.037 8.304 6.537 1.00 0.00 C ATOM 169 CD GLU A 11 -0.404 9.746 6.687 1.00 0.00 C ATOM 170 OE1 GLU A 11 -1.552 10.059 6.304 1.00 0.00 O ATOM 171 OE2 GLU A 11 0.396 10.564 7.187 1.00 0.00 O ATOM 0 H GLU A 11 1.545 6.336 5.844 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.296 5.756 5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.032 8.002 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.559 7.966 5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.280 7.738 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.126 8.262 6.507 1.00 0.00 H new ATOM 178 N CYS A 12 -1.811 5.014 3.631 1.00 0.00 N ATOM 179 CA CYS A 12 -2.087 4.446 2.318 1.00 0.00 C ATOM 180 C CYS A 12 -2.434 5.546 1.324 1.00 0.00 C ATOM 181 O CYS A 12 -2.766 6.665 1.716 1.00 0.00 O ATOM 182 CB CYS A 12 -3.229 3.435 2.410 1.00 0.00 C ATOM 183 SG CYS A 12 -3.434 2.409 0.921 1.00 0.00 S ATOM 0 H CYS A 12 -2.587 4.953 4.290 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.192 3.933 1.967 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.055 2.783 3.266 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.159 3.970 2.601 1.00 0.00 H new ATOM 188 N TYR A 13 -2.344 5.234 0.038 1.00 0.00 N ATOM 189 CA TYR A 13 -2.645 6.211 -1.002 1.00 0.00 C ATOM 190 C TYR A 13 -3.493 5.592 -2.106 1.00 0.00 C ATOM 191 O TYR A 13 -3.016 4.754 -2.872 1.00 0.00 O ATOM 192 CB TYR A 13 -1.358 6.774 -1.614 1.00 0.00 C ATOM 193 CG TYR A 13 -0.772 7.957 -0.863 1.00 0.00 C ATOM 194 CD1 TYR A 13 -0.478 7.862 0.490 1.00 0.00 C ATOM 195 CD2 TYR A 13 -0.521 9.170 -1.504 1.00 0.00 C ATOM 196 CE1 TYR A 13 0.048 8.934 1.186 1.00 0.00 C ATOM 197 CE2 TYR A 13 0.002 10.246 -0.813 1.00 0.00 C ATOM 198 CZ TYR A 13 0.285 10.124 0.531 1.00 0.00 C ATOM 199 OH TYR A 13 0.806 11.194 1.222 1.00 0.00 O ATOM 0 H TYR A 13 -2.066 4.316 -0.310 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.204 7.020 -0.533 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.612 5.980 -1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.560 7.076 -2.642 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.664 6.933 1.009 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.739 9.270 -2.557 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.272 8.840 2.238 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.188 11.179 -1.324 1.00 0.00 H new ATOM 0 HH TYR A 13 0.257 11.989 1.057 1.00 0.00 H new ATOM 209 N TYR A 14 -4.745 6.021 -2.198 1.00 0.00 N ATOM 210 CA TYR A 14 -5.647 5.518 -3.227 1.00 0.00 C ATOM 211 C TYR A 14 -5.591 6.413 -4.464 1.00 0.00 C ATOM 212 O TYR A 14 -6.323 6.202 -5.431 1.00 0.00 O ATOM 213 CB TYR A 14 -7.079 5.447 -2.695 1.00 0.00 C ATOM 214 CG TYR A 14 -7.298 4.351 -1.677 1.00 0.00 C ATOM 215 CD1 TYR A 14 -6.950 3.035 -1.958 1.00 0.00 C ATOM 216 CD2 TYR A 14 -7.854 4.631 -0.435 1.00 0.00 C ATOM 217 CE1 TYR A 14 -7.150 2.031 -1.029 1.00 0.00 C ATOM 218 CE2 TYR A 14 -8.057 3.632 0.499 1.00 0.00 C ATOM 219 CZ TYR A 14 -7.703 2.334 0.197 1.00 0.00 C ATOM 220 OH TYR A 14 -7.904 1.337 1.123 1.00 0.00 O ATOM 0 H TYR A 14 -5.159 6.714 -1.575 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.328 4.513 -3.504 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.337 6.405 -2.245 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.760 5.294 -3.532 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.517 2.793 -2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.132 5.647 -0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.874 1.013 -1.263 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.490 3.867 1.460 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.301 1.719 1.934 1.00 0.00 H new ATOM 230 N ASN A 15 -4.712 7.412 -4.422 1.00 0.00 N ATOM 231 CA ASN A 15 -4.548 8.346 -5.530 1.00 0.00 C ATOM 232 C ASN A 15 -3.327 9.232 -5.300 1.00 0.00 C ATOM 233 O ASN A 15 -3.458 10.442 -5.191 1.00 0.00 O ATOM 234 CB ASN A 15 -5.801 9.210 -5.689 1.00 0.00 C ATOM 235 CG ASN A 15 -6.365 9.156 -7.094 1.00 0.00 C ATOM 236 OD1 ASN A 15 -6.488 10.181 -7.766 1.00 0.00 O ATOM 237 ND2 ASN A 15 -6.713 7.957 -7.548 1.00 0.00 N ATOM 0 H ASN A 15 -4.100 7.595 -3.627 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.399 7.773 -6.445 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.561 8.877 -4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.561 10.243 -5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.099 7.860 -8.487 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.594 7.134 -6.958 1.00 0.00 H new ATOM 244 N LEU A 16 -2.162 8.583 -5.185 1.00 0.00 N ATOM 245 CA LEU A 16 -0.858 9.196 -4.903 1.00 0.00 C ATOM 246 C LEU A 16 -0.206 9.762 -6.138 1.00 0.00 C ATOM 247 O LEU A 16 -0.336 10.946 -6.421 1.00 0.00 O ATOM 248 CB LEU A 16 0.082 8.110 -4.341 1.00 0.00 C ATOM 249 CG LEU A 16 1.567 8.475 -4.297 1.00 0.00 C ATOM 250 CD1 LEU A 16 2.014 8.706 -2.865 1.00 0.00 C ATOM 251 CD2 LEU A 16 2.402 7.376 -4.935 1.00 0.00 C ATOM 0 H LEU A 16 -2.100 7.570 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.026 10.009 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.242 7.863 -3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.034 7.209 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 16 1.712 9.397 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.073 8.965 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.436 9.521 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.855 7.798 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.456 7.651 -4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.250 6.443 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.099 7.246 -5.974 1.00 0.00 H new ATOM 263 N ASN A 17 0.495 8.909 -6.844 1.00 0.00 N ATOM 264 CA ASN A 17 1.189 9.266 -8.067 1.00 0.00 C ATOM 265 C ASN A 17 2.693 9.424 -7.872 1.00 0.00 C ATOM 266 O ASN A 17 3.261 10.473 -8.167 1.00 0.00 O ATOM 267 CB ASN A 17 0.607 10.533 -8.686 1.00 0.00 C ATOM 268 CG ASN A 17 -0.898 10.440 -8.875 1.00 0.00 C ATOM 269 OD1 ASN A 17 -1.405 9.217 -9.003 1.00 0.00 O flip ATOM 270 ND2 ASN A 17 -1.595 11.454 -8.905 1.00 0.00 N flip ATOM 0 H ASN A 17 0.604 7.929 -6.584 1.00 0.00 H new ATOM 0 HA ASN A 17 1.036 8.432 -8.752 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.839 11.386 -8.049 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.082 10.716 -9.650 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.164 12.373 -8.803 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.604 11.376 -9.032 1.00 0.00 H new ATOM 277 N ASP A 18 3.340 8.365 -7.410 1.00 0.00 N ATOM 278 CA ASP A 18 4.785 8.382 -7.223 1.00 0.00 C ATOM 279 C ASP A 18 5.196 9.062 -5.923 1.00 0.00 C ATOM 280 O ASP A 18 4.633 10.086 -5.537 1.00 0.00 O ATOM 281 CB ASP A 18 5.442 9.085 -8.406 1.00 0.00 C ATOM 282 CG ASP A 18 6.756 8.442 -8.805 1.00 0.00 C ATOM 283 OD1 ASP A 18 7.679 8.406 -7.965 1.00 0.00 O ATOM 284 OD2 ASP A 18 6.862 7.976 -9.959 1.00 0.00 O ATOM 0 H ASP A 18 2.890 7.485 -7.158 1.00 0.00 H new ATOM 0 HA ASP A 18 5.121 7.347 -7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.761 9.071 -9.257 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.615 10.131 -8.153 1.00 0.00 H new ATOM 289 N ALA A 19 6.195 8.483 -5.261 1.00 0.00 N ATOM 290 CA ALA A 19 6.705 9.030 -4.014 1.00 0.00 C ATOM 291 C ALA A 19 7.418 10.353 -4.258 1.00 0.00 C ATOM 292 O ALA A 19 8.645 10.406 -4.336 1.00 0.00 O ATOM 293 CB ALA A 19 7.646 8.038 -3.347 1.00 0.00 C ATOM 0 H ALA A 19 6.666 7.633 -5.571 1.00 0.00 H new ATOM 0 HA ALA A 19 5.861 9.213 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.020 8.461 -2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.109 7.113 -3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.484 7.828 -4.012 1.00 0.00 H new ATOM 299 N SER A 20 6.635 11.419 -4.373 1.00 0.00 N ATOM 300 CA SER A 20 7.176 12.755 -4.607 1.00 0.00 C ATOM 301 C SER A 20 6.044 13.748 -4.825 1.00 0.00 C ATOM 302 O SER A 20 5.548 14.350 -3.873 1.00 0.00 O ATOM 303 CB SER A 20 8.128 12.736 -5.799 1.00 0.00 C ATOM 304 OG SER A 20 7.464 12.316 -6.978 1.00 0.00 O ATOM 0 H SER A 20 5.618 11.385 -4.308 1.00 0.00 H new ATOM 0 HA SER A 20 7.739 13.071 -3.729 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.547 13.731 -5.949 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.963 12.067 -5.591 1.00 0.00 H new ATOM 0 HG SER A 20 8.096 12.315 -7.727 1.00 0.00 H new ATOM 310 N LEU A 21 5.595 13.888 -6.064 1.00 0.00 N ATOM 311 CA LEU A 21 4.476 14.774 -6.339 1.00 0.00 C ATOM 312 C LEU A 21 3.329 14.302 -5.457 1.00 0.00 C ATOM 313 O LEU A 21 2.654 15.085 -4.792 1.00 0.00 O ATOM 314 CB LEU A 21 4.098 14.694 -7.817 1.00 0.00 C ATOM 315 CG LEU A 21 3.972 13.270 -8.352 1.00 0.00 C ATOM 316 CD1 LEU A 21 2.509 12.889 -8.473 1.00 0.00 C ATOM 317 CD2 LEU A 21 4.674 13.122 -9.691 1.00 0.00 C ATOM 0 H LEU A 21 5.979 13.410 -6.879 1.00 0.00 H new ATOM 0 HA LEU A 21 4.723 15.814 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.151 15.212 -7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.848 15.225 -8.402 1.00 0.00 H new ATOM 0 HG LEU A 21 4.457 12.595 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.428 11.871 -8.855 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.036 12.947 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.010 13.575 -9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.567 12.097 -10.047 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.227 13.805 -10.413 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.732 13.357 -9.575 1.00 0.00 H new ATOM 329 N CYS A 22 3.210 12.978 -5.432 1.00 0.00 N ATOM 330 CA CYS A 22 2.257 12.225 -4.621 1.00 0.00 C ATOM 331 C CYS A 22 0.875 12.846 -4.427 1.00 0.00 C ATOM 332 O CYS A 22 0.680 14.057 -4.486 1.00 0.00 O ATOM 333 CB CYS A 22 2.885 11.943 -3.267 1.00 0.00 C ATOM 334 SG CYS A 22 2.369 13.058 -1.916 1.00 0.00 S ATOM 0 H CYS A 22 3.801 12.373 -6.002 1.00 0.00 H new ATOM 0 HA CYS A 22 2.058 11.318 -5.192 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.646 10.919 -2.981 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.969 12.001 -3.369 1.00 0.00 H new ATOM 339 N ASP A 23 -0.074 11.955 -4.141 1.00 0.00 N ATOM 340 CA ASP A 23 -1.455 12.344 -3.865 1.00 0.00 C ATOM 341 C ASP A 23 -2.195 11.348 -2.928 1.00 0.00 C ATOM 342 O ASP A 23 -2.429 10.163 -3.259 1.00 0.00 O ATOM 343 CB ASP A 23 -2.237 12.592 -5.158 1.00 0.00 C ATOM 344 CG ASP A 23 -1.836 13.889 -5.833 1.00 0.00 C ATOM 345 OD1 ASP A 23 -0.831 13.887 -6.574 1.00 0.00 O ATOM 346 OD2 ASP A 23 -2.529 14.906 -5.621 1.00 0.00 O ATOM 0 H ASP A 23 0.092 10.950 -4.094 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.403 13.287 -3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.072 11.762 -5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.304 12.615 -4.936 1.00 0.00 H new ATOM 351 N ASN A 24 -2.567 11.835 -1.750 1.00 0.00 N ATOM 352 CA ASN A 24 -3.272 11.010 -0.771 1.00 0.00 C ATOM 353 C ASN A 24 -4.782 11.215 -0.872 1.00 0.00 C ATOM 354 O ASN A 24 -5.458 10.540 -1.648 1.00 0.00 O ATOM 355 CB ASN A 24 -2.793 11.333 0.646 1.00 0.00 C ATOM 356 CG ASN A 24 -2.378 12.783 0.802 1.00 0.00 C ATOM 357 OD1 ASN A 24 -1.492 13.267 0.098 1.00 0.00 O ATOM 358 ND2 ASN A 24 -3.017 13.485 1.731 1.00 0.00 N ATOM 0 H ASN A 24 -2.394 12.794 -1.448 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.050 9.965 -0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.589 11.108 1.355 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.951 10.688 0.897 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.779 14.465 1.883 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.745 13.044 2.292 1.00 0.00 H new ATOM 365 N VAL A 25 -5.300 12.152 -0.084 1.00 0.00 N ATOM 366 CA VAL A 25 -6.728 12.452 -0.082 1.00 0.00 C ATOM 367 C VAL A 25 -7.481 11.583 0.921 1.00 0.00 C ATOM 368 O VAL A 25 -7.894 12.058 1.978 1.00 0.00 O ATOM 369 CB VAL A 25 -7.349 12.266 -1.479 1.00 0.00 C ATOM 370 CG1 VAL A 25 -8.720 12.920 -1.547 1.00 0.00 C ATOM 371 CG2 VAL A 25 -6.427 12.830 -2.550 1.00 0.00 C ATOM 0 H VAL A 25 -4.751 12.718 0.563 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.824 13.498 0.211 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.473 11.199 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.142 12.778 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.377 12.466 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.625 13.986 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.881 12.690 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.269 13.894 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.469 12.311 -2.516 1.00 0.00 H new ATOM 381 N LEU A 26 -7.658 10.309 0.585 1.00 0.00 N ATOM 382 CA LEU A 26 -8.364 9.382 1.461 1.00 0.00 C ATOM 383 C LEU A 26 -7.572 8.092 1.639 1.00 0.00 C ATOM 384 O LEU A 26 -7.302 7.379 0.673 1.00 0.00 O ATOM 385 CB LEU A 26 -9.752 9.066 0.897 1.00 0.00 C ATOM 386 CG LEU A 26 -10.924 9.580 1.735 1.00 0.00 C ATOM 387 CD1 LEU A 26 -10.871 9.002 3.140 1.00 0.00 C ATOM 388 CD2 LEU A 26 -10.917 11.101 1.782 1.00 0.00 C ATOM 0 H LEU A 26 -7.323 9.896 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.475 9.858 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.826 9.492 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.847 7.985 0.791 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.852 9.254 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.713 9.379 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.924 7.915 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.938 9.297 3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.757 11.450 2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.984 11.447 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.005 11.497 0.770 1.00 0.00 H new ATOM 400 N ALA A 27 -7.199 7.800 2.880 1.00 0.00 N ATOM 401 CA ALA A 27 -6.435 6.598 3.181 1.00 0.00 C ATOM 402 C ALA A 27 -5.958 6.599 4.629 1.00 0.00 C ATOM 403 O ALA A 27 -5.518 7.625 5.150 1.00 0.00 O ATOM 404 CB ALA A 27 -5.256 6.484 2.232 1.00 0.00 C ATOM 0 H ALA A 27 -7.414 8.379 3.692 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.085 5.734 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.689 5.582 2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.619 6.431 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.612 7.356 2.345 1.00 0.00 H new ATOM 410 N PRO A 28 -6.049 5.444 5.302 1.00 0.00 N ATOM 411 CA PRO A 28 -5.638 5.297 6.698 1.00 0.00 C ATOM 412 C PRO A 28 -4.152 4.985 6.845 1.00 0.00 C ATOM 413 O PRO A 28 -3.394 5.045 5.877 1.00 0.00 O ATOM 414 CB PRO A 28 -6.469 4.102 7.149 1.00 0.00 C ATOM 415 CG PRO A 28 -6.534 3.237 5.936 1.00 0.00 C ATOM 416 CD PRO A 28 -6.573 4.178 4.755 1.00 0.00 C ATOM 0 HA PRO A 28 -5.790 6.209 7.275 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.002 3.583 7.986 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.463 4.407 7.477 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.668 2.577 5.881 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.419 2.601 5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.960 3.813 3.931 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.586 4.296 4.370 1.00 0.00 H new ATOM 424 N ASN A 29 -3.749 4.636 8.061 1.00 0.00 N ATOM 425 CA ASN A 29 -2.361 4.293 8.345 1.00 0.00 C ATOM 426 C ASN A 29 -2.248 2.811 8.679 1.00 0.00 C ATOM 427 O ASN A 29 -2.540 2.395 9.801 1.00 0.00 O ATOM 428 CB ASN A 29 -1.825 5.135 9.504 1.00 0.00 C ATOM 429 CG ASN A 29 -2.520 6.478 9.616 1.00 0.00 C ATOM 430 OD1 ASN A 29 -2.748 7.122 8.477 1.00 0.00 O flip ATOM 431 ND2 ASN A 29 -2.850 6.930 10.713 1.00 0.00 N flip ATOM 0 H ASN A 29 -4.368 4.583 8.870 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.763 4.505 7.459 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.951 4.585 10.437 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.755 5.293 9.369 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.655 6.400 11.563 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.319 7.834 10.772 1.00 0.00 H new ATOM 438 N VAL A 30 -1.842 2.013 7.698 1.00 0.00 N ATOM 439 CA VAL A 30 -1.713 0.574 7.891 1.00 0.00 C ATOM 440 C VAL A 30 -0.389 0.050 7.350 1.00 0.00 C ATOM 441 O VAL A 30 0.537 0.816 7.085 1.00 0.00 O ATOM 442 CB VAL A 30 -2.864 -0.183 7.200 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.196 0.489 7.491 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.625 -0.266 5.700 1.00 0.00 C ATOM 0 H VAL A 30 -1.597 2.338 6.763 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.752 0.399 8.966 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.896 -1.197 7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.996 -0.060 6.995 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.373 0.495 8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.175 1.514 7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.448 -0.804 5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.565 0.740 5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.691 -0.794 5.509 1.00 0.00 H new ATOM 454 N THR A 31 -0.317 -1.266 7.179 1.00 0.00 N ATOM 455 CA THR A 31 0.882 -1.908 6.658 1.00 0.00 C ATOM 456 C THR A 31 0.759 -2.124 5.153 1.00 0.00 C ATOM 457 O THR A 31 -0.253 -2.634 4.671 1.00 0.00 O ATOM 458 CB THR A 31 1.120 -3.245 7.363 1.00 0.00 C ATOM 459 OG1 THR A 31 -0.106 -3.813 7.789 1.00 0.00 O ATOM 460 CG2 THR A 31 2.019 -3.129 8.575 1.00 0.00 C ATOM 0 H THR A 31 -1.078 -1.910 7.395 1.00 0.00 H new ATOM 0 HA THR A 31 1.733 -1.254 6.849 1.00 0.00 H new ATOM 0 HB THR A 31 1.612 -3.878 6.625 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.067 -4.668 8.236 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.147 -4.112 9.028 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.991 -2.740 8.271 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.567 -2.451 9.299 1.00 0.00 H new ATOM 468 N LYS A 32 1.794 -1.724 4.424 1.00 0.00 N ATOM 469 CA LYS A 32 1.821 -1.860 2.971 1.00 0.00 C ATOM 470 C LYS A 32 1.015 -3.068 2.503 1.00 0.00 C ATOM 471 O LYS A 32 0.158 -2.953 1.626 1.00 0.00 O ATOM 472 CB LYS A 32 3.267 -1.980 2.494 1.00 0.00 C ATOM 473 CG LYS A 32 3.426 -1.875 0.988 1.00 0.00 C ATOM 474 CD LYS A 32 4.800 -2.347 0.540 1.00 0.00 C ATOM 475 CE LYS A 32 5.893 -1.400 1.008 1.00 0.00 C ATOM 476 NZ LYS A 32 7.126 -2.131 1.411 1.00 0.00 N ATOM 0 H LYS A 32 2.633 -1.299 4.819 1.00 0.00 H new ATOM 0 HA LYS A 32 1.363 -0.970 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.862 -1.200 2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.671 -2.936 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.657 -2.472 0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.275 -0.842 0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.989 -3.346 0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.823 -2.423 -0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.132 -0.698 0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.528 -0.812 1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.847 -1.450 1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.904 -2.783 2.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.489 -2.672 0.601 1.00 0.00 H new ATOM 490 N GLN A 33 1.297 -4.226 3.089 1.00 0.00 N ATOM 491 CA GLN A 33 0.597 -5.453 2.727 1.00 0.00 C ATOM 492 C GLN A 33 -0.906 -5.217 2.623 1.00 0.00 C ATOM 493 O GLN A 33 -1.515 -5.480 1.586 1.00 0.00 O ATOM 494 CB GLN A 33 0.883 -6.548 3.756 1.00 0.00 C ATOM 495 CG GLN A 33 2.364 -6.801 3.972 1.00 0.00 C ATOM 496 CD GLN A 33 2.706 -8.279 3.997 1.00 0.00 C ATOM 497 OE1 GLN A 33 2.755 -8.898 5.059 1.00 0.00 O ATOM 498 NE2 GLN A 33 2.944 -8.849 2.822 1.00 0.00 N ATOM 0 H GLN A 33 2.004 -4.341 3.815 1.00 0.00 H new ATOM 0 HA GLN A 33 0.962 -5.774 1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.427 -6.271 4.706 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.407 -7.474 3.432 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.931 -6.314 3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.674 -6.344 4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.892 -8.296 1.967 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.179 -9.840 2.774 1.00 0.00 H new ATOM 507 N GLU A 34 -1.498 -4.727 3.705 1.00 0.00 N ATOM 508 CA GLU A 34 -2.932 -4.461 3.743 1.00 0.00 C ATOM 509 C GLU A 34 -3.319 -3.352 2.767 1.00 0.00 C ATOM 510 O GLU A 34 -4.124 -3.565 1.862 1.00 0.00 O ATOM 511 CB GLU A 34 -3.362 -4.079 5.160 1.00 0.00 C ATOM 512 CG GLU A 34 -2.586 -4.802 6.248 1.00 0.00 C ATOM 513 CD GLU A 34 -2.489 -6.295 5.999 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.495 -6.890 5.559 1.00 0.00 O ATOM 515 OE2 GLU A 34 -1.407 -6.869 6.245 1.00 0.00 O ATOM 0 H GLU A 34 -1.006 -4.505 4.571 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.447 -5.373 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.238 -3.004 5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.424 -4.294 5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.582 -4.382 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.068 -4.628 7.210 1.00 0.00 H new ATOM 522 N CYS A 35 -2.747 -2.167 2.959 1.00 0.00 N ATOM 523 CA CYS A 35 -3.048 -1.030 2.097 1.00 0.00 C ATOM 524 C CYS A 35 -3.015 -1.432 0.624 1.00 0.00 C ATOM 525 O CYS A 35 -4.033 -1.383 -0.067 1.00 0.00 O ATOM 526 CB CYS A 35 -2.060 0.113 2.360 1.00 0.00 C ATOM 527 SG CYS A 35 -1.789 1.223 0.936 1.00 0.00 S ATOM 0 H CYS A 35 -2.075 -1.970 3.701 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.056 -0.686 2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.423 0.704 3.201 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.103 -0.313 2.660 1.00 0.00 H new ATOM 532 N CYS A 36 -1.837 -1.817 0.151 1.00 0.00 N ATOM 533 CA CYS A 36 -1.663 -2.216 -1.241 1.00 0.00 C ATOM 534 C CYS A 36 -2.602 -3.358 -1.619 1.00 0.00 C ATOM 535 O CYS A 36 -3.203 -3.343 -2.693 1.00 0.00 O ATOM 536 CB CYS A 36 -0.210 -2.624 -1.490 1.00 0.00 C ATOM 537 SG CYS A 36 1.014 -1.369 -0.988 1.00 0.00 S ATOM 0 H CYS A 36 -0.986 -1.862 0.711 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.911 -1.360 -1.869 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.007 -3.550 -0.952 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.081 -2.838 -2.551 1.00 0.00 H new ATOM 542 N CYS A 37 -2.726 -4.346 -0.740 1.00 0.00 N ATOM 543 CA CYS A 37 -3.599 -5.484 -1.007 1.00 0.00 C ATOM 544 C CYS A 37 -5.039 -5.026 -1.199 1.00 0.00 C ATOM 545 O CYS A 37 -5.873 -5.769 -1.718 1.00 0.00 O ATOM 546 CB CYS A 37 -3.513 -6.510 0.127 1.00 0.00 C ATOM 547 SG CYS A 37 -4.908 -7.683 0.186 1.00 0.00 S ATOM 0 H CYS A 37 -2.239 -4.383 0.155 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.263 -5.959 -1.929 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.585 -7.072 0.023 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.459 -5.980 1.078 1.00 0.00 H new ATOM 552 N THR A 38 -5.323 -3.793 -0.793 1.00 0.00 N ATOM 553 CA THR A 38 -6.660 -3.232 -0.936 1.00 0.00 C ATOM 554 C THR A 38 -6.795 -2.526 -2.278 1.00 0.00 C ATOM 555 O THR A 38 -7.902 -2.236 -2.733 1.00 0.00 O ATOM 556 CB THR A 38 -6.960 -2.246 0.195 1.00 0.00 C ATOM 557 OG1 THR A 38 -5.939 -2.277 1.180 1.00 0.00 O ATOM 558 CG2 THR A 38 -8.285 -2.509 0.879 1.00 0.00 C ATOM 0 H THR A 38 -4.645 -3.164 -0.363 1.00 0.00 H new ATOM 0 HA THR A 38 -7.377 -4.051 -0.886 1.00 0.00 H new ATOM 0 HB THR A 38 -7.007 -1.266 -0.280 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.757 -3.206 1.433 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.438 -1.776 1.671 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.092 -2.430 0.151 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.280 -3.511 1.308 1.00 0.00 H new ATOM 566 N SER A 39 -5.656 -2.249 -2.905 1.00 0.00 N ATOM 567 CA SER A 39 -5.636 -1.572 -4.194 1.00 0.00 C ATOM 568 C SER A 39 -5.793 -0.070 -4.013 1.00 0.00 C ATOM 569 O SER A 39 -6.652 0.389 -3.259 1.00 0.00 O ATOM 570 CB SER A 39 -6.740 -2.116 -5.097 1.00 0.00 C ATOM 571 OG SER A 39 -6.537 -1.727 -6.444 1.00 0.00 O ATOM 0 H SER A 39 -4.733 -2.484 -2.539 1.00 0.00 H new ATOM 0 HA SER A 39 -4.673 -1.763 -4.667 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.766 -3.204 -5.030 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.708 -1.752 -4.752 1.00 0.00 H new ATOM 0 HG SER A 39 -7.257 -2.090 -7.001 1.00 0.00 H new ATOM 577 N GLY A 40 -4.956 0.695 -4.703 1.00 0.00 N ATOM 578 CA GLY A 40 -5.019 2.135 -4.593 1.00 0.00 C ATOM 579 C GLY A 40 -4.036 2.849 -5.501 1.00 0.00 C ATOM 580 O GLY A 40 -4.322 3.087 -6.674 1.00 0.00 O ATOM 0 H GLY A 40 -4.237 0.342 -5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.030 2.467 -4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.824 2.423 -3.560 1.00 0.00 H new ATOM 584 N ALA A 41 -2.878 3.205 -4.951 1.00 0.00 N ATOM 585 CA ALA A 41 -1.853 3.909 -5.708 1.00 0.00 C ATOM 586 C ALA A 41 -0.470 3.623 -5.144 1.00 0.00 C ATOM 587 O ALA A 41 0.487 3.420 -5.889 1.00 0.00 O ATOM 588 CB ALA A 41 -2.130 5.401 -5.702 1.00 0.00 C ATOM 0 H ALA A 41 -2.628 3.016 -3.980 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.879 3.551 -6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.357 5.917 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.103 5.592 -6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.130 5.767 -4.675 1.00 0.00 H new ATOM 594 N GLY A 42 -0.377 3.629 -3.813 1.00 0.00 N ATOM 595 CA GLY A 42 0.886 3.384 -3.142 1.00 0.00 C ATOM 596 C GLY A 42 0.772 3.455 -1.635 1.00 0.00 C ATOM 597 O GLY A 42 -0.174 4.031 -1.101 1.00 0.00 O ATOM 0 H GLY A 42 -1.163 3.801 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.259 2.401 -3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.620 4.115 -3.481 1.00 0.00 H new ATOM 601 N TRP A 43 1.748 2.872 -0.949 1.00 0.00 N ATOM 602 CA TRP A 43 1.763 2.877 0.510 1.00 0.00 C ATOM 603 C TRP A 43 3.034 3.538 1.045 1.00 0.00 C ATOM 604 O TRP A 43 4.145 3.140 0.692 1.00 0.00 O ATOM 605 CB TRP A 43 1.658 1.448 1.041 1.00 0.00 C ATOM 606 CG TRP A 43 1.802 1.354 2.528 1.00 0.00 C ATOM 607 CD1 TRP A 43 0.802 1.406 3.457 1.00 0.00 C ATOM 608 CD2 TRP A 43 3.022 1.192 3.259 1.00 0.00 C ATOM 609 NE1 TRP A 43 1.327 1.285 4.721 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.688 1.152 4.625 1.00 0.00 C ATOM 611 CE3 TRP A 43 4.364 1.076 2.890 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.648 1.000 5.621 1.00 0.00 C ATOM 613 CZ3 TRP A 43 5.316 0.925 3.880 1.00 0.00 C ATOM 614 CH2 TRP A 43 4.954 0.888 5.230 1.00 0.00 C ATOM 0 H TRP A 43 2.538 2.390 -1.378 1.00 0.00 H new ATOM 0 HA TRP A 43 0.905 3.454 0.855 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.694 1.030 0.750 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.427 0.836 0.570 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.247 1.525 3.231 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.791 1.293 5.589 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.652 1.104 1.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.372 0.972 6.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.357 0.834 3.607 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.722 0.768 5.980 1.00 0.00 H new ATOM 625 N GLY A 44 2.866 4.551 1.897 1.00 0.00 N ATOM 626 CA GLY A 44 4.013 5.243 2.463 1.00 0.00 C ATOM 627 C GLY A 44 3.633 6.472 3.261 1.00 0.00 C ATOM 628 O GLY A 44 2.527 6.563 3.796 1.00 0.00 O ATOM 0 H GLY A 44 1.959 4.903 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.563 4.556 3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.687 5.535 1.658 1.00 0.00 H new ATOM 632 N ASP A 45 4.564 7.418 3.350 1.00 0.00 N ATOM 633 CA ASP A 45 4.337 8.652 4.098 1.00 0.00 C ATOM 634 C ASP A 45 4.540 9.892 3.226 1.00 0.00 C ATOM 635 O ASP A 45 5.596 10.071 2.621 1.00 0.00 O ATOM 636 CB ASP A 45 5.268 8.714 5.310 1.00 0.00 C ATOM 637 CG ASP A 45 6.683 8.284 4.974 1.00 0.00 C ATOM 638 OD1 ASP A 45 6.849 7.193 4.391 1.00 0.00 O ATOM 639 OD2 ASP A 45 7.624 9.039 5.297 1.00 0.00 O ATOM 0 H ASP A 45 5.484 7.354 2.913 1.00 0.00 H new ATOM 0 HA ASP A 45 3.300 8.644 4.433 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.283 9.731 5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.875 8.074 6.100 1.00 0.00 H new ATOM 644 N ASN A 46 3.514 10.743 3.187 1.00 0.00 N ATOM 645 CA ASN A 46 3.538 11.987 2.410 1.00 0.00 C ATOM 646 C ASN A 46 4.559 11.954 1.275 1.00 0.00 C ATOM 647 O ASN A 46 5.716 12.331 1.451 1.00 0.00 O ATOM 648 CB ASN A 46 3.822 13.179 3.324 1.00 0.00 C ATOM 649 CG ASN A 46 2.739 14.240 3.247 1.00 0.00 C ATOM 650 OD1 ASN A 46 2.143 14.404 2.068 1.00 0.00 O flip ATOM 651 ND2 ASN A 46 2.441 14.908 4.237 1.00 0.00 N flip ATOM 0 H ASN A 46 2.641 10.591 3.693 1.00 0.00 H new ATOM 0 HA ASN A 46 2.552 12.093 1.958 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.913 12.831 4.353 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.780 13.622 3.052 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.923 14.751 5.122 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.713 15.619 4.172 1.00 0.00 H new ATOM 658 N CYS A 47 4.106 11.514 0.108 1.00 0.00 N ATOM 659 CA CYS A 47 4.947 11.436 -1.085 1.00 0.00 C ATOM 660 C CYS A 47 6.164 10.542 -0.893 1.00 0.00 C ATOM 661 O CYS A 47 7.029 10.470 -1.760 1.00 0.00 O ATOM 662 CB CYS A 47 5.375 12.826 -1.543 1.00 0.00 C ATOM 663 SG CYS A 47 4.059 14.085 -1.459 1.00 0.00 S ATOM 0 H CYS A 47 3.147 11.201 -0.041 1.00 0.00 H new ATOM 0 HA CYS A 47 4.335 10.978 -1.863 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.215 13.154 -0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.735 12.762 -2.570 1.00 0.00 H new ATOM 668 N GLU A 48 6.202 9.818 0.208 1.00 0.00 N ATOM 669 CA GLU A 48 7.282 8.880 0.452 1.00 0.00 C ATOM 670 C GLU A 48 6.678 7.494 0.344 1.00 0.00 C ATOM 671 O GLU A 48 6.895 6.620 1.184 1.00 0.00 O ATOM 672 CB GLU A 48 7.908 9.093 1.834 1.00 0.00 C ATOM 673 CG GLU A 48 8.248 10.544 2.130 1.00 0.00 C ATOM 674 CD GLU A 48 9.371 11.070 1.258 1.00 0.00 C ATOM 675 OE1 GLU A 48 10.318 10.304 0.983 1.00 0.00 O ATOM 676 OE2 GLU A 48 9.304 12.250 0.852 1.00 0.00 O ATOM 0 H GLU A 48 5.500 9.860 0.947 1.00 0.00 H new ATOM 0 HA GLU A 48 8.084 9.021 -0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.220 8.727 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.815 8.493 1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.360 11.159 1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.531 10.640 3.178 1.00 0.00 H new ATOM 683 N ILE A 49 5.847 7.354 -0.681 1.00 0.00 N ATOM 684 CA ILE A 49 5.101 6.137 -0.935 1.00 0.00 C ATOM 685 C ILE A 49 5.649 5.328 -2.106 1.00 0.00 C ATOM 686 O ILE A 49 6.427 5.821 -2.920 1.00 0.00 O ATOM 687 CB ILE A 49 3.633 6.503 -1.219 1.00 0.00 C ATOM 688 CG1 ILE A 49 2.961 7.012 0.053 1.00 0.00 C ATOM 689 CG2 ILE A 49 2.880 5.322 -1.786 1.00 0.00 C ATOM 690 CD1 ILE A 49 2.514 8.452 -0.042 1.00 0.00 C ATOM 0 H ILE A 49 5.673 8.092 -1.364 1.00 0.00 H new ATOM 0 HA ILE A 49 5.192 5.512 -0.047 1.00 0.00 H new ATOM 0 HB ILE A 49 3.616 7.298 -1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.098 6.385 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.654 6.908 0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.846 5.608 -1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.348 5.006 -2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.903 4.499 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.045 8.750 0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.377 9.089 -0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.797 8.557 -0.856 1.00 0.00 H new ATOM 702 N PHE A 50 5.207 4.074 -2.176 1.00 0.00 N ATOM 703 CA PHE A 50 5.609 3.162 -3.235 1.00 0.00 C ATOM 704 C PHE A 50 4.401 2.769 -4.082 1.00 0.00 C ATOM 705 O PHE A 50 3.433 2.199 -3.572 1.00 0.00 O ATOM 706 CB PHE A 50 6.249 1.909 -2.635 1.00 0.00 C ATOM 707 CG PHE A 50 6.927 2.150 -1.318 1.00 0.00 C ATOM 708 CD1 PHE A 50 8.203 2.688 -1.267 1.00 0.00 C ATOM 709 CD2 PHE A 50 6.287 1.839 -0.129 1.00 0.00 C ATOM 710 CE1 PHE A 50 8.828 2.910 -0.054 1.00 0.00 C ATOM 711 CE2 PHE A 50 6.906 2.059 1.085 1.00 0.00 C ATOM 712 CZ PHE A 50 8.178 2.594 1.124 1.00 0.00 C ATOM 0 H PHE A 50 4.562 3.666 -1.500 1.00 0.00 H new ATOM 0 HA PHE A 50 6.338 3.666 -3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.481 1.147 -2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.977 1.510 -3.341 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.715 2.937 -2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.292 1.420 -0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.823 3.330 -0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.395 1.813 2.004 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.664 2.765 2.073 1.00 0.00 H new ATOM 722 N PRO A 51 4.444 3.069 -5.388 1.00 0.00 N ATOM 723 CA PRO A 51 3.359 2.748 -6.317 1.00 0.00 C ATOM 724 C PRO A 51 2.816 1.339 -6.108 1.00 0.00 C ATOM 725 O PRO A 51 3.429 0.359 -6.532 1.00 0.00 O ATOM 726 CB PRO A 51 4.032 2.864 -7.683 1.00 0.00 C ATOM 727 CG PRO A 51 5.114 3.871 -7.490 1.00 0.00 C ATOM 728 CD PRO A 51 5.567 3.745 -6.057 1.00 0.00 C ATOM 0 HA PRO A 51 2.498 3.404 -6.189 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.437 1.905 -8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.324 3.186 -8.447 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.941 3.688 -8.176 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.748 4.877 -7.694 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.486 3.165 -5.978 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.767 4.721 -5.614 1.00 0.00 H new ATOM 736 N CYS A 52 1.667 1.242 -5.449 1.00 0.00 N ATOM 737 CA CYS A 52 1.051 -0.052 -5.182 1.00 0.00 C ATOM 738 C CYS A 52 -0.466 0.034 -5.099 1.00 0.00 C ATOM 739 O CYS A 52 -1.046 1.056 -4.682 1.00 0.00 O ATOM 740 CB CYS A 52 1.580 -0.637 -3.881 1.00 0.00 C ATOM 741 SG CYS A 52 0.831 0.089 -2.387 1.00 0.00 S ATOM 0 H CYS A 52 1.145 2.041 -5.091 1.00 0.00 H new ATOM 0 HA CYS A 52 1.313 -0.698 -6.020 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.402 -1.712 -3.879 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.660 -0.492 -3.841 1.00 0.00 H new ATOM 746 N PRO A 53 -1.124 -1.067 -5.478 1.00 0.00 N ATOM 747 CA PRO A 53 -0.461 -2.272 -5.968 1.00 0.00 C ATOM 748 C PRO A 53 -0.339 -2.270 -7.489 1.00 0.00 C ATOM 749 O PRO A 53 -0.523 -1.238 -8.133 1.00 0.00 O ATOM 750 CB PRO A 53 -1.420 -3.362 -5.516 1.00 0.00 C ATOM 751 CG PRO A 53 -2.773 -2.729 -5.601 1.00 0.00 C ATOM 752 CD PRO A 53 -2.573 -1.230 -5.482 1.00 0.00 C ATOM 0 HA PRO A 53 0.558 -2.383 -5.599 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.352 -4.241 -6.157 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.198 -3.690 -4.500 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.257 -2.979 -6.545 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.420 -3.096 -4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.032 -0.699 -6.316 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.021 -0.839 -4.569 1.00 0.00 H new ATOM 760 N VAL A 54 -0.040 -3.431 -8.059 1.00 0.00 N ATOM 761 CA VAL A 54 0.092 -3.557 -9.504 1.00 0.00 C ATOM 762 C VAL A 54 -0.851 -4.631 -10.045 1.00 0.00 C ATOM 763 O VAL A 54 -0.997 -4.792 -11.257 1.00 0.00 O ATOM 764 CB VAL A 54 1.542 -3.883 -9.910 1.00 0.00 C ATOM 765 CG1 VAL A 54 2.127 -4.950 -8.998 1.00 0.00 C ATOM 766 CG2 VAL A 54 1.611 -4.313 -11.368 1.00 0.00 C ATOM 0 H VAL A 54 0.115 -4.297 -7.543 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.179 -2.595 -9.939 1.00 0.00 H new ATOM 0 HB VAL A 54 2.140 -2.979 -9.799 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.151 -5.166 -9.301 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.121 -4.592 -7.969 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.528 -5.858 -9.070 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.644 -4.538 -11.632 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.997 -5.202 -11.515 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.241 -3.508 -12.003 1.00 0.00 H new ATOM 776 N LEU A 55 -1.497 -5.358 -9.134 1.00 0.00 N ATOM 777 CA LEU A 55 -2.434 -6.411 -9.512 1.00 0.00 C ATOM 778 C LEU A 55 -1.705 -7.616 -10.097 1.00 0.00 C ATOM 779 O LEU A 55 -0.921 -7.484 -11.036 1.00 0.00 O ATOM 780 CB LEU A 55 -3.458 -5.879 -10.517 1.00 0.00 C ATOM 781 CG LEU A 55 -4.893 -5.787 -9.991 1.00 0.00 C ATOM 782 CD1 LEU A 55 -4.899 -5.436 -8.511 1.00 0.00 C ATOM 783 CD2 LEU A 55 -5.685 -4.761 -10.787 1.00 0.00 C ATOM 0 H LEU A 55 -1.387 -5.235 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.954 -6.733 -8.610 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.143 -4.888 -10.844 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.450 -6.523 -11.397 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.368 -6.760 -10.113 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.928 -5.375 -8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.367 -6.206 -7.952 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.407 -4.475 -8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.703 -4.708 -10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.210 -3.784 -10.695 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.710 -5.055 -11.836 1.00 0.00 H new ATOM 795 N GLY A 56 -1.973 -8.789 -9.532 1.00 0.00 N ATOM 796 CA GLY A 56 -1.341 -10.007 -10.004 1.00 0.00 C ATOM 797 C GLY A 56 0.082 -9.777 -10.471 1.00 0.00 C ATOM 798 O GLY A 56 0.395 -9.972 -11.646 1.00 0.00 O ATOM 0 H GLY A 56 -2.619 -8.918 -8.753 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.343 -10.747 -9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.927 -10.423 -10.824 1.00 0.00 H new ATOM 802 N THR A 57 0.944 -9.357 -9.553 1.00 0.00 N ATOM 803 CA THR A 57 2.339 -9.096 -9.884 1.00 0.00 C ATOM 804 C THR A 57 3.200 -9.027 -8.629 1.00 0.00 C ATOM 805 O THR A 57 2.711 -9.208 -7.514 1.00 0.00 O ATOM 806 CB THR A 57 2.454 -7.790 -10.666 1.00 0.00 C ATOM 807 OG1 THR A 57 1.312 -6.982 -10.453 1.00 0.00 O ATOM 808 CG2 THR A 57 2.599 -7.995 -12.158 1.00 0.00 C ATOM 0 H THR A 57 0.702 -9.190 -8.576 1.00 0.00 H new ATOM 0 HA THR A 57 2.701 -9.920 -10.499 1.00 0.00 H new ATOM 0 HB THR A 57 3.358 -7.307 -10.294 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.609 -7.235 -11.087 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.676 -7.027 -12.653 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.498 -8.578 -12.360 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.728 -8.529 -12.538 1.00 0.00 H new ATOM 816 N ALA A 58 4.489 -8.767 -8.822 1.00 0.00 N ATOM 817 CA ALA A 58 5.429 -8.675 -7.711 1.00 0.00 C ATOM 818 C ALA A 58 4.827 -7.922 -6.529 1.00 0.00 C ATOM 819 O ALA A 58 4.417 -8.527 -5.540 1.00 0.00 O ATOM 820 CB ALA A 58 6.715 -8.002 -8.164 1.00 0.00 C ATOM 0 H ALA A 58 4.907 -8.616 -9.740 1.00 0.00 H new ATOM 0 HA ALA A 58 5.654 -9.689 -7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.408 -7.940 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.168 -8.585 -8.966 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.492 -6.998 -8.526 1.00 0.00 H new ATOM 826 N GLU A 59 4.787 -6.598 -6.633 1.00 0.00 N ATOM 827 CA GLU A 59 4.247 -5.768 -5.563 1.00 0.00 C ATOM 828 C GLU A 59 3.001 -6.402 -4.947 1.00 0.00 C ATOM 829 O GLU A 59 3.083 -7.054 -3.906 1.00 0.00 O ATOM 830 CB GLU A 59 3.938 -4.357 -6.073 1.00 0.00 C ATOM 831 CG GLU A 59 4.427 -3.260 -5.143 1.00 0.00 C ATOM 832 CD GLU A 59 4.544 -1.918 -5.835 1.00 0.00 C ATOM 833 OE1 GLU A 59 4.274 -1.851 -7.052 1.00 0.00 O ATOM 834 OE2 GLU A 59 4.906 -0.931 -5.159 1.00 0.00 O ATOM 0 H GLU A 59 5.121 -6.078 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 59 5.006 -5.694 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.397 -4.224 -7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.861 -4.255 -6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.742 -3.171 -4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.398 -3.540 -4.736 1.00 0.00 H new ATOM 841 N PHE A 60 1.847 -6.207 -5.581 1.00 0.00 N ATOM 842 CA PHE A 60 0.603 -6.762 -5.065 1.00 0.00 C ATOM 843 C PHE A 60 0.803 -8.155 -4.478 1.00 0.00 C ATOM 844 O PHE A 60 0.723 -8.342 -3.268 1.00 0.00 O ATOM 845 CB PHE A 60 -0.467 -6.820 -6.150 1.00 0.00 C ATOM 846 CG PHE A 60 -1.809 -7.186 -5.595 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.465 -6.322 -4.734 1.00 0.00 C ATOM 848 CD2 PHE A 60 -2.406 -8.394 -5.913 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.692 -6.655 -4.200 1.00 0.00 C ATOM 850 CE2 PHE A 60 -3.637 -8.732 -5.383 1.00 0.00 C ATOM 851 CZ PHE A 60 -4.278 -7.860 -4.524 1.00 0.00 C ATOM 0 H PHE A 60 1.750 -5.674 -6.445 1.00 0.00 H new ATOM 0 HA PHE A 60 0.272 -6.095 -4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.532 -5.852 -6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.177 -7.549 -6.907 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.010 -5.376 -4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.905 -9.079 -6.581 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.193 -5.973 -3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.097 -9.675 -5.640 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.239 -8.123 -4.106 1.00 0.00 H new ATOM 861 N THR A 61 1.049 -9.132 -5.343 1.00 0.00 N ATOM 862 CA THR A 61 1.241 -10.510 -4.900 1.00 0.00 C ATOM 863 C THR A 61 1.957 -10.568 -3.551 1.00 0.00 C ATOM 864 O THR A 61 1.744 -11.495 -2.768 1.00 0.00 O ATOM 865 CB THR A 61 2.022 -11.304 -5.950 1.00 0.00 C ATOM 866 OG1 THR A 61 1.731 -12.686 -5.849 1.00 0.00 O ATOM 867 CG2 THR A 61 3.523 -11.143 -5.838 1.00 0.00 C ATOM 0 H THR A 61 1.120 -8.998 -6.352 1.00 0.00 H new ATOM 0 HA THR A 61 0.256 -10.960 -4.776 1.00 0.00 H new ATOM 0 HB THR A 61 1.703 -10.899 -6.910 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.238 -13.178 -6.529 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.011 -11.734 -6.613 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.787 -10.093 -5.962 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.854 -11.487 -4.858 1.00 0.00 H new ATOM 875 N GLU A 62 2.807 -9.580 -3.282 1.00 0.00 N ATOM 876 CA GLU A 62 3.549 -9.531 -2.027 1.00 0.00 C ATOM 877 C GLU A 62 2.704 -8.945 -0.898 1.00 0.00 C ATOM 878 O GLU A 62 2.673 -9.484 0.210 1.00 0.00 O ATOM 879 CB GLU A 62 4.826 -8.708 -2.202 1.00 0.00 C ATOM 880 CG GLU A 62 5.748 -9.239 -3.287 1.00 0.00 C ATOM 881 CD GLU A 62 7.087 -9.696 -2.741 1.00 0.00 C ATOM 882 OE1 GLU A 62 8.000 -8.851 -2.624 1.00 0.00 O ATOM 883 OE2 GLU A 62 7.223 -10.897 -2.429 1.00 0.00 O ATOM 0 H GLU A 62 2.998 -8.804 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 62 3.810 -10.554 -1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.556 -7.679 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.367 -8.686 -1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.263 -10.073 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.910 -8.462 -4.034 1.00 0.00 H new ATOM 890 N MET A 63 2.034 -7.833 -1.178 1.00 0.00 N ATOM 891 CA MET A 63 1.204 -7.166 -0.180 1.00 0.00 C ATOM 892 C MET A 63 -0.143 -7.863 -0.003 1.00 0.00 C ATOM 893 O MET A 63 -0.842 -7.634 0.982 1.00 0.00 O ATOM 894 CB MET A 63 0.979 -5.702 -0.568 1.00 0.00 C ATOM 895 CG MET A 63 0.528 -5.506 -2.007 1.00 0.00 C ATOM 896 SD MET A 63 1.707 -4.550 -2.987 1.00 0.00 S ATOM 897 CE MET A 63 3.269 -5.073 -2.283 1.00 0.00 C ATOM 0 H MET A 63 2.049 -7.373 -2.088 1.00 0.00 H new ATOM 0 HA MET A 63 1.736 -7.215 0.770 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.232 -5.271 0.098 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.904 -5.148 -0.409 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.381 -6.480 -2.473 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.438 -5.001 -2.015 1.00 0.00 H new ATOM 0 HE1 MET A 63 4.052 -4.994 -3.037 1.00 0.00 H new ATOM 0 HE2 MET A 63 3.517 -4.436 -1.434 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.190 -6.108 -1.950 1.00 0.00 H new ATOM 907 N CYS A 64 -0.505 -8.706 -0.964 1.00 0.00 N ATOM 908 CA CYS A 64 -1.774 -9.422 -0.910 1.00 0.00 C ATOM 909 C CYS A 64 -1.610 -10.870 -1.363 1.00 0.00 C ATOM 910 O CYS A 64 -1.978 -11.227 -2.482 1.00 0.00 O ATOM 911 CB CYS A 64 -2.808 -8.713 -1.788 1.00 0.00 C ATOM 912 SG CYS A 64 -4.539 -9.018 -1.304 1.00 0.00 S ATOM 0 H CYS A 64 0.061 -8.910 -1.788 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.118 -9.428 0.124 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.618 -7.640 -1.758 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.670 -9.032 -2.821 1.00 0.00 H new ATOM 917 N PRO A 65 -1.051 -11.722 -0.491 1.00 0.00 N ATOM 918 CA PRO A 65 -0.832 -13.138 -0.792 1.00 0.00 C ATOM 919 C PRO A 65 -2.107 -13.965 -0.659 1.00 0.00 C ATOM 920 O PRO A 65 -2.128 -14.981 0.036 1.00 0.00 O ATOM 921 CB PRO A 65 0.188 -13.556 0.264 1.00 0.00 C ATOM 922 CG PRO A 65 -0.101 -12.675 1.431 1.00 0.00 C ATOM 923 CD PRO A 65 -0.585 -11.366 0.862 1.00 0.00 C ATOM 0 HA PRO A 65 -0.501 -13.296 -1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.080 -14.609 0.525 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.209 -13.419 -0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.857 -13.121 2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.792 -12.529 2.038 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.389 -10.941 1.463 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.213 -10.625 0.828 1.00 0.00 H new ATOM 931 N LYS A 66 -3.169 -13.526 -1.329 1.00 0.00 N ATOM 932 CA LYS A 66 -4.444 -14.231 -1.280 1.00 0.00 C ATOM 933 C LYS A 66 -5.280 -13.939 -2.523 1.00 0.00 C ATOM 934 O LYS A 66 -5.445 -14.802 -3.386 1.00 0.00 O ATOM 935 CB LYS A 66 -5.223 -13.836 -0.024 1.00 0.00 C ATOM 936 CG LYS A 66 -6.180 -14.912 0.462 1.00 0.00 C ATOM 937 CD LYS A 66 -6.163 -15.032 1.977 1.00 0.00 C ATOM 938 CE LYS A 66 -5.164 -16.078 2.442 1.00 0.00 C ATOM 939 NZ LYS A 66 -5.658 -17.463 2.204 1.00 0.00 N ATOM 0 H LYS A 66 -3.171 -12.688 -1.910 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.235 -15.300 -1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.517 -13.603 0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.786 -12.925 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.191 -14.680 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.908 -15.869 0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.912 -14.067 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.159 -15.295 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.219 -15.935 1.919 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.964 -15.942 3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.052 -18.140 2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.635 -17.547 2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.632 -17.671 1.185 1.00 0.00 H new ATOM 953 N GLY A 67 -5.805 -12.722 -2.608 1.00 0.00 N ATOM 954 CA GLY A 67 -6.618 -12.346 -3.750 1.00 0.00 C ATOM 955 C GLY A 67 -6.682 -10.845 -3.953 1.00 0.00 C ATOM 956 O GLY A 67 -5.821 -10.109 -3.472 1.00 0.00 O ATOM 0 H GLY A 67 -5.683 -11.990 -1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.214 -12.813 -4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.628 -12.734 -3.616 1.00 0.00 H new ATOM 960 N LYS A 68 -7.704 -10.392 -4.673 1.00 0.00 N ATOM 961 CA LYS A 68 -7.879 -8.970 -4.945 1.00 0.00 C ATOM 962 C LYS A 68 -9.002 -8.383 -4.097 1.00 0.00 C ATOM 963 O LYS A 68 -10.131 -8.227 -4.565 1.00 0.00 O ATOM 964 CB LYS A 68 -8.176 -8.747 -6.428 1.00 0.00 C ATOM 965 CG LYS A 68 -8.124 -7.286 -6.845 1.00 0.00 C ATOM 966 CD LYS A 68 -9.347 -6.895 -7.658 1.00 0.00 C ATOM 967 CE LYS A 68 -8.996 -5.892 -8.745 1.00 0.00 C ATOM 968 NZ LYS A 68 -10.069 -4.876 -8.931 1.00 0.00 N ATOM 0 H LYS A 68 -8.424 -10.990 -5.079 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.951 -8.461 -4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.458 -9.312 -7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.164 -9.147 -6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.059 -6.656 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.223 -7.106 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.784 -7.785 -8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.103 -6.469 -6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.062 -5.391 -8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.828 -6.419 -9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.791 -4.211 -9.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.954 -5.351 -9.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.212 -4.355 -8.042 1.00 0.00 H new ATOM 982 N GLY A 69 -8.686 -8.053 -2.848 1.00 0.00 N ATOM 983 CA GLY A 69 -9.682 -7.481 -1.960 1.00 0.00 C ATOM 984 C GLY A 69 -9.776 -8.214 -0.637 1.00 0.00 C ATOM 985 O GLY A 69 -10.846 -8.691 -0.257 1.00 0.00 O ATOM 0 H GLY A 69 -7.760 -8.171 -2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.439 -6.435 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.655 -7.500 -2.451 1.00 0.00 H new ATOM 989 N PHE A 70 -8.655 -8.299 0.067 1.00 0.00 N ATOM 990 CA PHE A 70 -8.611 -8.972 1.359 1.00 0.00 C ATOM 991 C PHE A 70 -8.435 -7.960 2.486 1.00 0.00 C ATOM 992 O PHE A 70 -8.092 -8.320 3.612 1.00 0.00 O ATOM 993 CB PHE A 70 -7.471 -9.992 1.389 1.00 0.00 C ATOM 994 CG PHE A 70 -7.697 -11.115 2.361 1.00 0.00 C ATOM 995 CD1 PHE A 70 -8.920 -11.764 2.417 1.00 0.00 C ATOM 996 CD2 PHE A 70 -6.686 -11.522 3.218 1.00 0.00 C ATOM 997 CE1 PHE A 70 -9.131 -12.797 3.311 1.00 0.00 C ATOM 998 CE2 PHE A 70 -6.892 -12.555 4.113 1.00 0.00 C ATOM 999 CZ PHE A 70 -8.115 -13.193 4.160 1.00 0.00 C ATOM 0 H PHE A 70 -7.762 -7.910 -0.235 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.557 -9.494 1.505 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.340 -10.408 0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.543 -9.481 1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -9.717 -11.459 1.755 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.727 -11.026 3.186 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -10.089 -13.294 3.346 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.096 -12.863 4.775 1.00 0.00 H new ATOM 0 HZ PHE A 70 -8.278 -14.000 4.859 1.00 0.00 H new