USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 456 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 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.04! X(o=-1!,f=-1.3) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 57:sc= 0.124 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.97! C(o=-2!,f=-2.4!) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 42 SER OG : rot 27:sc= 0.107 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 170:sc= -1.28 USER MOD Single : A 51 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.014) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.015) USER MOD Single : A 63 GLN : amide:sc= -0.0392 X(o=-0.039,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 11.302 4.981 -3.483 1.00 0.00 N ATOM 60 CA GLY A 7 10.444 4.037 -2.791 1.00 0.00 C ATOM 61 C GLY A 7 9.896 4.595 -1.493 1.00 0.00 C ATOM 62 O GLY A 7 10.629 4.747 -0.515 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.615 3.759 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.005 3.126 -2.583 1.00 0.00 H new ATOM 66 N LEU A 8 8.603 4.903 -1.483 1.00 0.00 N ATOM 67 CA LEU A 8 7.957 5.450 -0.295 1.00 0.00 C ATOM 68 C LEU A 8 7.491 4.334 0.634 1.00 0.00 C ATOM 69 O LEU A 8 7.552 3.154 0.284 1.00 0.00 O ATOM 70 CB LEU A 8 6.768 6.325 -0.695 1.00 0.00 C ATOM 71 CG LEU A 8 7.083 7.792 -0.989 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.535 8.505 0.277 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.145 7.903 -2.073 1.00 0.00 C ATOM 0 H LEU A 8 7.982 4.783 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 8 8.687 6.060 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.304 5.890 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.029 6.286 0.105 1.00 0.00 H new ATOM 0 HG LEU A 8 6.174 8.274 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.755 9.548 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.743 8.456 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.431 8.022 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.356 8.954 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.056 7.405 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.784 7.429 -2.986 1.00 0.00 H new ATOM 85 N LEU A 9 7.023 4.713 1.818 1.00 0.00 N ATOM 86 CA LEU A 9 6.544 3.744 2.798 1.00 0.00 C ATOM 87 C LEU A 9 5.189 4.163 3.360 1.00 0.00 C ATOM 88 O LEU A 9 5.036 5.270 3.876 1.00 0.00 O ATOM 89 CB LEU A 9 7.557 3.595 3.934 1.00 0.00 C ATOM 90 CG LEU A 9 8.988 3.255 3.518 1.00 0.00 C ATOM 91 CD1 LEU A 9 9.960 3.559 4.648 1.00 0.00 C ATOM 92 CD2 LEU A 9 9.090 1.795 3.102 1.00 0.00 C ATOM 0 H LEU A 9 6.965 5.685 2.123 1.00 0.00 H new ATOM 0 HA LEU A 9 6.427 2.783 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.576 4.526 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.202 2.817 4.610 1.00 0.00 H new ATOM 0 HG LEU A 9 9.254 3.875 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.973 3.310 4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.907 4.619 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.697 2.966 5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.116 1.571 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.804 1.157 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.423 1.609 2.260 1.00 0.00 H new ATOM 104 N ALA A 10 4.211 3.270 3.259 1.00 0.00 N ATOM 105 CA ALA A 10 2.870 3.545 3.761 1.00 0.00 C ATOM 106 C ALA A 10 2.379 2.417 4.662 1.00 0.00 C ATOM 107 O ALA A 10 2.869 1.290 4.584 1.00 0.00 O ATOM 108 CB ALA A 10 1.906 3.756 2.603 1.00 0.00 C ATOM 0 H ALA A 10 4.322 2.349 2.834 1.00 0.00 H new ATOM 0 HA ALA A 10 2.911 4.458 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.909 3.960 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.240 4.601 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.877 2.858 1.985 1.00 0.00 H new ATOM 114 N ARG A 11 1.411 2.728 5.517 1.00 0.00 N ATOM 115 CA ARG A 11 0.855 1.740 6.435 1.00 0.00 C ATOM 116 C ARG A 11 -0.492 1.229 5.933 1.00 0.00 C ATOM 117 O ARG A 11 -1.112 1.837 5.061 1.00 0.00 O ATOM 118 CB ARG A 11 0.696 2.343 7.832 1.00 0.00 C ATOM 119 CG ARG A 11 0.575 1.303 8.934 1.00 0.00 C ATOM 120 CD ARG A 11 0.670 1.939 10.312 1.00 0.00 C ATOM 121 NE ARG A 11 0.525 0.953 11.380 1.00 0.00 N ATOM 122 CZ ARG A 11 1.483 0.101 11.729 1.00 0.00 C ATOM 123 NH1 ARG A 11 2.649 0.114 11.098 1.00 0.00 N ATOM 124 NH2 ARG A 11 1.275 -0.766 12.712 1.00 0.00 N ATOM 0 H ARG A 11 0.995 3.656 5.594 1.00 0.00 H new ATOM 0 HA ARG A 11 1.547 0.899 6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.552 2.984 8.041 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.189 2.979 7.845 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.376 0.779 8.839 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.362 0.558 8.821 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.631 2.444 10.413 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.103 2.701 10.414 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.360 0.917 11.886 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.813 0.779 10.342 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.382 -0.541 11.368 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.379 -0.779 13.200 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.011 -1.420 12.980 1.00 0.00 H new ATOM 138 N ALA A 12 -0.938 0.108 6.489 1.00 0.00 N ATOM 139 CA ALA A 12 -2.212 -0.484 6.100 1.00 0.00 C ATOM 140 C ALA A 12 -3.228 -0.397 7.234 1.00 0.00 C ATOM 141 O ALA A 12 -3.203 -1.201 8.166 1.00 0.00 O ATOM 142 CB ALA A 12 -2.014 -1.932 5.676 1.00 0.00 C ATOM 0 H ALA A 12 -0.436 -0.409 7.211 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.603 0.081 5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.974 -2.361 5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.330 -1.973 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.597 -2.501 6.507 1.00 0.00 H new ATOM 148 N LEU A 13 -4.120 0.583 7.148 1.00 0.00 N ATOM 149 CA LEU A 13 -5.145 0.776 8.168 1.00 0.00 C ATOM 150 C LEU A 13 -6.120 -0.397 8.189 1.00 0.00 C ATOM 151 O LEU A 13 -6.674 -0.738 9.234 1.00 0.00 O ATOM 152 CB LEU A 13 -5.904 2.080 7.917 1.00 0.00 C ATOM 153 CG LEU A 13 -5.047 3.302 7.584 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.904 4.412 6.996 1.00 0.00 C ATOM 155 CD2 LEU A 13 -4.314 3.793 8.824 1.00 0.00 C ATOM 0 H LEU A 13 -4.155 1.256 6.383 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.651 0.832 9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.604 1.918 7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.498 2.308 8.802 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.307 3.010 6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.276 5.273 6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.383 4.057 6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.668 4.703 7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.709 4.663 8.568 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.039 4.067 9.590 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.668 3.001 9.203 1.00 0.00 H new ATOM 167 N TYR A 14 -6.323 -1.011 7.029 1.00 0.00 N ATOM 168 CA TYR A 14 -7.231 -2.146 6.914 1.00 0.00 C ATOM 169 C TYR A 14 -6.699 -3.170 5.916 1.00 0.00 C ATOM 170 O TYR A 14 -6.119 -2.812 4.891 1.00 0.00 O ATOM 171 CB TYR A 14 -8.620 -1.673 6.484 1.00 0.00 C ATOM 172 CG TYR A 14 -9.051 -0.382 7.144 1.00 0.00 C ATOM 173 CD1 TYR A 14 -9.723 -0.392 8.360 1.00 0.00 C ATOM 174 CD2 TYR A 14 -8.788 0.846 6.550 1.00 0.00 C ATOM 175 CE1 TYR A 14 -10.120 0.785 8.966 1.00 0.00 C ATOM 176 CE2 TYR A 14 -9.179 2.027 7.150 1.00 0.00 C ATOM 177 CZ TYR A 14 -9.845 1.992 8.357 1.00 0.00 C ATOM 178 OH TYR A 14 -10.238 3.166 8.957 1.00 0.00 O ATOM 0 H TYR A 14 -5.871 -0.742 6.155 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.303 -2.622 7.892 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.630 -1.539 5.402 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.348 -2.451 6.716 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.939 -1.335 8.840 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.269 0.878 5.603 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.643 0.760 9.911 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.964 2.973 6.676 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.967 3.925 8.399 1.00 0.00 H new ATOM 188 N ASP A 15 -6.901 -4.447 6.224 1.00 0.00 N ATOM 189 CA ASP A 15 -6.444 -5.525 5.355 1.00 0.00 C ATOM 190 C ASP A 15 -7.139 -5.460 3.998 1.00 0.00 C ATOM 191 O ASP A 15 -8.163 -4.796 3.845 1.00 0.00 O ATOM 192 CB ASP A 15 -6.704 -6.882 6.010 1.00 0.00 C ATOM 193 CG ASP A 15 -8.176 -7.241 6.034 1.00 0.00 C ATOM 194 OD1 ASP A 15 -8.820 -7.180 4.965 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.685 -7.585 7.121 1.00 0.00 O ATOM 0 H ASP A 15 -7.378 -4.760 7.069 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.372 -5.404 5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.154 -7.653 5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.319 -6.869 7.030 1.00 0.00 H new ATOM 200 N ASN A 16 -6.573 -6.153 3.015 1.00 0.00 N ATOM 201 CA ASN A 16 -7.137 -6.173 1.671 1.00 0.00 C ATOM 202 C ASN A 16 -7.245 -7.602 1.147 1.00 0.00 C ATOM 203 O ASN A 16 -6.360 -8.427 1.378 1.00 0.00 O ATOM 204 CB ASN A 16 -6.277 -5.335 0.722 1.00 0.00 C ATOM 205 CG ASN A 16 -6.810 -5.340 -0.698 1.00 0.00 C ATOM 206 OD1 ASN A 16 -7.838 -4.729 -0.989 1.00 0.00 O ATOM 207 ND2 ASN A 16 -6.110 -6.031 -1.589 1.00 0.00 N ATOM 0 H ASN A 16 -5.724 -6.708 3.124 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.138 -5.745 1.718 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.233 -4.309 1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.257 -5.719 0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.419 -6.071 -2.560 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.263 -6.522 -1.302 1.00 0.00 H new ATOM 214 N CYS A 17 -8.334 -7.887 0.442 1.00 0.00 N ATOM 215 CA CYS A 17 -8.558 -9.217 -0.115 1.00 0.00 C ATOM 216 C CYS A 17 -8.706 -9.153 -1.631 1.00 0.00 C ATOM 217 O CYS A 17 -9.812 -9.102 -2.170 1.00 0.00 O ATOM 218 CB CYS A 17 -9.806 -9.848 0.506 1.00 0.00 C ATOM 219 SG CYS A 17 -9.602 -10.341 2.233 1.00 0.00 S ATOM 0 H CYS A 17 -9.076 -7.216 0.242 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.691 -9.835 0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -10.631 -9.139 0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.087 -10.723 -0.080 1.00 0.00 H new ATOM 0 HG CYS A 17 -10.710 -10.861 2.670 1.00 0.00 H new ATOM 225 N PRO A 18 -7.566 -9.156 -2.338 1.00 0.00 N ATOM 226 CA PRO A 18 -7.542 -9.098 -3.802 1.00 0.00 C ATOM 227 C PRO A 18 -8.055 -10.383 -4.442 1.00 0.00 C ATOM 228 O PRO A 18 -8.278 -11.382 -3.757 1.00 0.00 O ATOM 229 CB PRO A 18 -6.059 -8.896 -4.125 1.00 0.00 C ATOM 230 CG PRO A 18 -5.335 -9.469 -2.956 1.00 0.00 C ATOM 231 CD PRO A 18 -6.212 -9.216 -1.761 1.00 0.00 C ATOM 0 HA PRO A 18 -8.188 -8.310 -4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.783 -9.403 -5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.823 -7.840 -4.258 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.158 -10.536 -3.091 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.360 -8.998 -2.831 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.125 -10.013 -1.023 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.948 -8.286 -1.258 1.00 0.00 H new ATOM 239 N ASP A 19 -8.241 -10.351 -5.757 1.00 0.00 N ATOM 240 CA ASP A 19 -8.727 -11.515 -6.489 1.00 0.00 C ATOM 241 C ASP A 19 -7.768 -11.888 -7.615 1.00 0.00 C ATOM 242 O ASP A 19 -7.762 -13.026 -8.086 1.00 0.00 O ATOM 243 CB ASP A 19 -10.120 -11.241 -7.059 1.00 0.00 C ATOM 244 CG ASP A 19 -10.068 -10.647 -8.453 1.00 0.00 C ATOM 245 OD1 ASP A 19 -9.565 -9.513 -8.597 1.00 0.00 O ATOM 246 OD2 ASP A 19 -10.530 -11.318 -9.400 1.00 0.00 O ATOM 0 H ASP A 19 -8.063 -9.532 -6.338 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.786 -12.352 -5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.688 -12.171 -7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.653 -10.559 -6.396 1.00 0.00 H new ATOM 251 N CYS A 20 -6.960 -10.924 -8.041 1.00 0.00 N ATOM 252 CA CYS A 20 -5.997 -11.151 -9.113 1.00 0.00 C ATOM 253 C CYS A 20 -4.586 -10.785 -8.663 1.00 0.00 C ATOM 254 O CYS A 20 -4.391 -9.824 -7.919 1.00 0.00 O ATOM 255 CB CYS A 20 -6.379 -10.336 -10.350 1.00 0.00 C ATOM 256 SG CYS A 20 -7.705 -11.069 -11.336 1.00 0.00 S ATOM 0 H CYS A 20 -6.952 -9.978 -7.661 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.014 -12.211 -9.366 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.684 -9.338 -10.035 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.497 -10.215 -10.979 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.753 -11.248 -10.588 1.00 0.00 H new ATOM 262 N SER A 21 -3.607 -11.559 -9.118 1.00 0.00 N ATOM 263 CA SER A 21 -2.214 -11.320 -8.759 1.00 0.00 C ATOM 264 C SER A 21 -1.871 -9.837 -8.870 1.00 0.00 C ATOM 265 O SER A 21 -1.186 -9.282 -8.011 1.00 0.00 O ATOM 266 CB SER A 21 -1.285 -12.139 -9.658 1.00 0.00 C ATOM 267 OG SER A 21 0.070 -11.973 -9.277 1.00 0.00 O ATOM 0 H SER A 21 -3.752 -12.357 -9.736 1.00 0.00 H new ATOM 0 HA SER A 21 -2.073 -11.631 -7.724 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.555 -13.193 -9.601 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.414 -11.832 -10.696 1.00 0.00 H new ATOM 0 HG SER A 21 0.643 -12.507 -9.865 1.00 0.00 H new ATOM 273 N ASP A 22 -2.352 -9.203 -9.933 1.00 0.00 N ATOM 274 CA ASP A 22 -2.098 -7.785 -10.158 1.00 0.00 C ATOM 275 C ASP A 22 -2.161 -7.008 -8.846 1.00 0.00 C ATOM 276 O ASP A 22 -1.225 -6.291 -8.494 1.00 0.00 O ATOM 277 CB ASP A 22 -3.111 -7.215 -11.151 1.00 0.00 C ATOM 278 CG ASP A 22 -4.464 -7.892 -11.052 1.00 0.00 C ATOM 279 OD1 ASP A 22 -5.034 -7.919 -9.942 1.00 0.00 O ATOM 280 OD2 ASP A 22 -4.953 -8.396 -12.086 1.00 0.00 O ATOM 0 H ASP A 22 -2.920 -9.649 -10.653 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.096 -7.682 -10.574 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.229 -6.146 -10.972 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.725 -7.328 -12.164 1.00 0.00 H new ATOM 285 N GLU A 23 -3.270 -7.155 -8.129 1.00 0.00 N ATOM 286 CA GLU A 23 -3.454 -6.465 -6.858 1.00 0.00 C ATOM 287 C GLU A 23 -2.525 -7.035 -5.790 1.00 0.00 C ATOM 288 O GLU A 23 -1.735 -7.941 -6.057 1.00 0.00 O ATOM 289 CB GLU A 23 -4.909 -6.578 -6.397 1.00 0.00 C ATOM 290 CG GLU A 23 -5.835 -5.566 -7.051 1.00 0.00 C ATOM 291 CD GLU A 23 -5.998 -5.801 -8.540 1.00 0.00 C ATOM 292 OE1 GLU A 23 -6.901 -6.573 -8.924 1.00 0.00 O ATOM 293 OE2 GLU A 23 -5.220 -5.213 -9.321 1.00 0.00 O ATOM 0 H GLU A 23 -4.054 -7.745 -8.406 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.208 -5.414 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.273 -7.583 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.950 -6.449 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.813 -5.610 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.444 -4.562 -6.886 1.00 0.00 H new ATOM 300 N LEU A 24 -2.626 -6.497 -4.579 1.00 0.00 N ATOM 301 CA LEU A 24 -1.794 -6.950 -3.469 1.00 0.00 C ATOM 302 C LEU A 24 -2.655 -7.430 -2.305 1.00 0.00 C ATOM 303 O LEU A 24 -3.786 -6.977 -2.128 1.00 0.00 O ATOM 304 CB LEU A 24 -0.870 -5.824 -3.005 1.00 0.00 C ATOM 305 CG LEU A 24 0.464 -6.258 -2.396 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.482 -5.132 -2.484 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.272 -6.695 -0.951 1.00 0.00 C ATOM 0 H LEU A 24 -3.275 -5.747 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.189 -7.786 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.664 -5.176 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.404 -5.223 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 24 0.843 -7.107 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.425 -5.459 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.640 -4.866 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.111 -4.263 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.231 -7.001 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.129 -5.865 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.424 -7.533 -0.914 1.00 0.00 H new ATOM 319 N ALA A 25 -2.111 -8.347 -1.512 1.00 0.00 N ATOM 320 CA ALA A 25 -2.827 -8.884 -0.361 1.00 0.00 C ATOM 321 C ALA A 25 -2.059 -8.629 0.931 1.00 0.00 C ATOM 322 O ALA A 25 -1.065 -9.297 1.216 1.00 0.00 O ATOM 323 CB ALA A 25 -3.078 -10.374 -0.544 1.00 0.00 C ATOM 0 H ALA A 25 -1.177 -8.734 -1.645 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.786 -8.372 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.613 -10.762 0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.675 -10.535 -1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.125 -10.894 -0.644 1.00 0.00 H new ATOM 329 N PHE A 26 -2.527 -7.659 1.710 1.00 0.00 N ATOM 330 CA PHE A 26 -1.883 -7.315 2.973 1.00 0.00 C ATOM 331 C PHE A 26 -2.910 -7.204 4.095 1.00 0.00 C ATOM 332 O PHE A 26 -4.112 -7.112 3.844 1.00 0.00 O ATOM 333 CB PHE A 26 -1.115 -5.999 2.836 1.00 0.00 C ATOM 334 CG PHE A 26 -1.979 -4.842 2.419 1.00 0.00 C ATOM 335 CD1 PHE A 26 -2.776 -4.188 3.344 1.00 0.00 C ATOM 336 CD2 PHE A 26 -1.993 -4.411 1.102 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.571 -3.123 2.963 1.00 0.00 C ATOM 338 CE2 PHE A 26 -2.786 -3.346 0.717 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.577 -2.703 1.648 1.00 0.00 C ATOM 0 H PHE A 26 -3.349 -7.097 1.489 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.183 -8.112 3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.641 -5.763 3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.316 -6.128 2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.776 -4.513 4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.378 -4.912 0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.187 -2.620 3.694 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.787 -3.017 -0.312 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.199 -1.873 1.348 1.00 0.00 H new ATOM 349 N SER A 27 -2.428 -7.213 5.334 1.00 0.00 N ATOM 350 CA SER A 27 -3.304 -7.118 6.496 1.00 0.00 C ATOM 351 C SER A 27 -3.097 -5.794 7.225 1.00 0.00 C ATOM 352 O SER A 27 -2.226 -5.003 6.863 1.00 0.00 O ATOM 353 CB SER A 27 -3.048 -8.285 7.451 1.00 0.00 C ATOM 354 OG SER A 27 -3.728 -9.453 7.023 1.00 0.00 O ATOM 0 H SER A 27 -1.436 -7.285 5.559 1.00 0.00 H new ATOM 0 HA SER A 27 -4.336 -7.163 6.147 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.978 -8.484 7.509 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.377 -8.016 8.455 1.00 0.00 H new ATOM 0 HG SER A 27 -3.547 -10.185 7.649 1.00 0.00 H new ATOM 360 N ARG A 28 -3.904 -5.561 8.255 1.00 0.00 N ATOM 361 CA ARG A 28 -3.811 -4.333 9.035 1.00 0.00 C ATOM 362 C ARG A 28 -2.566 -4.343 9.918 1.00 0.00 C ATOM 363 O ARG A 28 -2.251 -5.349 10.553 1.00 0.00 O ATOM 364 CB ARG A 28 -5.061 -4.156 9.899 1.00 0.00 C ATOM 365 CG ARG A 28 -4.903 -3.112 10.993 1.00 0.00 C ATOM 366 CD ARG A 28 -4.359 -3.726 12.273 1.00 0.00 C ATOM 367 NE ARG A 28 -5.423 -4.258 13.121 1.00 0.00 N ATOM 368 CZ ARG A 28 -6.354 -3.502 13.692 1.00 0.00 C ATOM 369 NH1 ARG A 28 -6.352 -2.189 13.508 1.00 0.00 N ATOM 370 NH2 ARG A 28 -7.290 -4.060 14.450 1.00 0.00 N ATOM 0 H ARG A 28 -4.629 -6.206 8.568 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.737 -3.496 8.341 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.898 -3.876 9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.315 -5.113 10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.231 -2.324 10.652 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.867 -2.644 11.193 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.661 -4.525 12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.797 -2.973 12.826 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.453 -5.265 13.283 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.634 -1.757 12.927 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.068 -1.611 13.948 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.295 -5.070 14.594 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.005 -3.479 14.888 1.00 0.00 H new ATOM 384 N GLY A 29 -1.863 -3.215 9.954 1.00 0.00 N ATOM 385 CA GLY A 29 -0.661 -3.116 10.761 1.00 0.00 C ATOM 386 C GLY A 29 0.565 -3.648 10.045 1.00 0.00 C ATOM 387 O GLY A 29 1.463 -4.210 10.671 1.00 0.00 O ATOM 0 H GLY A 29 -2.104 -2.368 9.439 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.495 -2.074 11.033 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.804 -3.669 11.689 1.00 0.00 H new ATOM 391 N ASP A 30 0.601 -3.473 8.728 1.00 0.00 N ATOM 392 CA ASP A 30 1.725 -3.940 7.926 1.00 0.00 C ATOM 393 C ASP A 30 2.334 -2.794 7.124 1.00 0.00 C ATOM 394 O ASP A 30 1.627 -1.888 6.682 1.00 0.00 O ATOM 395 CB ASP A 30 1.276 -5.057 6.982 1.00 0.00 C ATOM 396 CG ASP A 30 1.030 -6.365 7.708 1.00 0.00 C ATOM 397 OD1 ASP A 30 1.738 -6.635 8.701 1.00 0.00 O ATOM 398 OD2 ASP A 30 0.129 -7.118 7.284 1.00 0.00 O ATOM 0 H ASP A 30 -0.135 -3.011 8.194 1.00 0.00 H new ATOM 0 HA ASP A 30 2.485 -4.330 8.603 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.363 -4.751 6.471 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.036 -5.208 6.215 1.00 0.00 H new ATOM 403 N ILE A 31 3.649 -2.840 6.941 1.00 0.00 N ATOM 404 CA ILE A 31 4.353 -1.805 6.193 1.00 0.00 C ATOM 405 C ILE A 31 4.585 -2.234 4.748 1.00 0.00 C ATOM 406 O ILE A 31 5.307 -3.196 4.483 1.00 0.00 O ATOM 407 CB ILE A 31 5.708 -1.466 6.840 1.00 0.00 C ATOM 408 CG1 ILE A 31 5.505 -0.981 8.277 1.00 0.00 C ATOM 409 CG2 ILE A 31 6.439 -0.414 6.019 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.635 0.252 8.381 1.00 0.00 C ATOM 0 H ILE A 31 4.249 -3.583 7.300 1.00 0.00 H new ATOM 0 HA ILE A 31 3.720 -0.918 6.209 1.00 0.00 H new ATOM 0 HB ILE A 31 6.318 -2.369 6.864 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.056 -1.783 8.863 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.477 -0.768 8.721 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.395 -0.185 6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.612 -0.794 5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.834 0.491 5.967 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.534 0.539 9.428 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.093 1.069 7.823 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.650 0.038 7.967 1.00 0.00 H new ATOM 422 N LEU A 32 3.971 -1.512 3.817 1.00 0.00 N ATOM 423 CA LEU A 32 4.112 -1.816 2.397 1.00 0.00 C ATOM 424 C LEU A 32 5.091 -0.856 1.730 1.00 0.00 C ATOM 425 O LEU A 32 5.028 0.357 1.938 1.00 0.00 O ATOM 426 CB LEU A 32 2.751 -1.741 1.702 1.00 0.00 C ATOM 427 CG LEU A 32 1.867 -2.983 1.821 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.568 -4.196 1.229 1.00 0.00 C ATOM 429 CD2 LEU A 32 1.495 -3.235 3.274 1.00 0.00 C ATOM 0 H LEU A 32 3.371 -0.712 4.020 1.00 0.00 H new ATOM 0 HA LEU A 32 4.505 -2.828 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.204 -0.890 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.916 -1.537 0.644 1.00 0.00 H new ATOM 0 HG LEU A 32 0.950 -2.809 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.924 -5.070 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.782 -4.014 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.501 -4.374 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.866 -4.123 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.401 -3.388 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.951 -2.375 3.665 1.00 0.00 H new ATOM 441 N THR A 33 5.995 -1.405 0.924 1.00 0.00 N ATOM 442 CA THR A 33 6.986 -0.598 0.225 1.00 0.00 C ATOM 443 C THR A 33 6.437 -0.078 -1.100 1.00 0.00 C ATOM 444 O THR A 33 6.429 -0.794 -2.102 1.00 0.00 O ATOM 445 CB THR A 33 8.274 -1.399 -0.045 1.00 0.00 C ATOM 446 OG1 THR A 33 8.849 -1.833 1.192 1.00 0.00 O ATOM 447 CG2 THR A 33 9.284 -0.558 -0.811 1.00 0.00 C ATOM 0 H THR A 33 6.061 -2.406 0.740 1.00 0.00 H new ATOM 0 HA THR A 33 7.221 0.246 0.874 1.00 0.00 H new ATOM 0 HB THR A 33 8.015 -2.268 -0.650 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.666 -2.343 1.012 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.185 -1.145 -0.990 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.854 -0.253 -1.765 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.537 0.327 -0.228 1.00 0.00 H new ATOM 455 N ILE A 34 5.980 1.169 -1.097 1.00 0.00 N ATOM 456 CA ILE A 34 5.432 1.784 -2.299 1.00 0.00 C ATOM 457 C ILE A 34 6.508 1.963 -3.365 1.00 0.00 C ATOM 458 O ILE A 34 7.268 2.931 -3.339 1.00 0.00 O ATOM 459 CB ILE A 34 4.797 3.153 -1.992 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.704 3.007 -0.931 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.231 3.772 -3.261 1.00 0.00 C ATOM 462 CD1 ILE A 34 3.261 4.324 -0.334 1.00 0.00 C ATOM 0 H ILE A 34 5.978 1.773 -0.275 1.00 0.00 H new ATOM 0 HA ILE A 34 4.661 1.111 -2.674 1.00 0.00 H new ATOM 0 HB ILE A 34 5.570 3.815 -1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.841 2.511 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.068 2.360 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.786 4.739 -3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.032 3.908 -3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.469 3.114 -3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.485 4.144 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.112 4.813 0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.866 4.966 -1.121 1.00 0.00 H new ATOM 474 N LEU A 35 6.565 1.024 -4.303 1.00 0.00 N ATOM 475 CA LEU A 35 7.547 1.078 -5.381 1.00 0.00 C ATOM 476 C LEU A 35 7.327 2.308 -6.256 1.00 0.00 C ATOM 477 O LEU A 35 8.251 3.085 -6.492 1.00 0.00 O ATOM 478 CB LEU A 35 7.467 -0.190 -6.233 1.00 0.00 C ATOM 479 CG LEU A 35 7.572 -1.515 -5.477 1.00 0.00 C ATOM 480 CD1 LEU A 35 7.088 -2.665 -6.346 1.00 0.00 C ATOM 481 CD2 LEU A 35 9.004 -1.756 -5.019 1.00 0.00 C ATOM 0 H LEU A 35 5.943 0.216 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 35 8.539 1.146 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.522 -0.179 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.263 -0.155 -6.976 1.00 0.00 H new ATOM 0 HG LEU A 35 6.934 -1.460 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.170 -3.600 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.047 -2.498 -6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.699 -2.723 -7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.060 -2.703 -4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.663 -1.791 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.316 -0.947 -4.359 1.00 0.00 H new ATOM 493 N GLU A 36 6.098 2.477 -6.732 1.00 0.00 N ATOM 494 CA GLU A 36 5.758 3.613 -7.580 1.00 0.00 C ATOM 495 C GLU A 36 4.390 4.179 -7.209 1.00 0.00 C ATOM 496 O GLU A 36 3.448 3.432 -6.949 1.00 0.00 O ATOM 497 CB GLU A 36 5.768 3.200 -9.054 1.00 0.00 C ATOM 498 CG GLU A 36 4.669 2.215 -9.417 1.00 0.00 C ATOM 499 CD GLU A 36 5.052 1.314 -10.575 1.00 0.00 C ATOM 500 OE1 GLU A 36 5.954 0.469 -10.395 1.00 0.00 O ATOM 501 OE2 GLU A 36 4.452 1.455 -11.660 1.00 0.00 O ATOM 0 H GLU A 36 5.322 1.842 -6.545 1.00 0.00 H new ATOM 0 HA GLU A 36 6.508 4.388 -7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.665 4.091 -9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.735 2.757 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.434 1.602 -8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.764 2.765 -9.674 1.00 0.00 H new ATOM 508 N GLN A 37 4.291 5.505 -7.185 1.00 0.00 N ATOM 509 CA GLN A 37 3.040 6.171 -6.844 1.00 0.00 C ATOM 510 C GLN A 37 2.189 6.401 -8.089 1.00 0.00 C ATOM 511 O GLN A 37 0.965 6.275 -8.049 1.00 0.00 O ATOM 512 CB GLN A 37 3.321 7.505 -6.150 1.00 0.00 C ATOM 513 CG GLN A 37 3.686 7.361 -4.681 1.00 0.00 C ATOM 514 CD GLN A 37 4.361 8.599 -4.124 1.00 0.00 C ATOM 515 OE1 GLN A 37 4.752 9.496 -4.871 1.00 0.00 O ATOM 516 NE2 GLN A 37 4.501 8.654 -2.805 1.00 0.00 N ATOM 0 H GLN A 37 5.062 6.138 -7.398 1.00 0.00 H new ATOM 0 HA GLN A 37 2.487 5.524 -6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.134 8.011 -6.670 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.441 8.143 -6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.784 7.153 -4.105 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.348 6.504 -4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.162 7.887 -2.224 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.948 9.463 -2.373 1.00 0.00 H new ATOM 525 N HIS A 38 2.845 6.740 -9.194 1.00 0.00 N ATOM 526 CA HIS A 38 2.149 6.988 -10.451 1.00 0.00 C ATOM 527 C HIS A 38 1.744 5.675 -11.116 1.00 0.00 C ATOM 528 O HIS A 38 2.582 4.965 -11.672 1.00 0.00 O ATOM 529 CB HIS A 38 3.033 7.801 -11.397 1.00 0.00 C ATOM 530 CG HIS A 38 2.369 8.136 -12.697 1.00 0.00 C ATOM 531 ND1 HIS A 38 1.065 8.575 -12.786 1.00 0.00 N ATOM 532 CD2 HIS A 38 2.838 8.097 -13.967 1.00 0.00 C ATOM 533 CE1 HIS A 38 0.760 8.789 -14.053 1.00 0.00 C ATOM 534 NE2 HIS A 38 1.819 8.507 -14.790 1.00 0.00 N ATOM 0 H HIS A 38 3.858 6.849 -9.244 1.00 0.00 H new ATOM 0 HA HIS A 38 1.246 7.558 -10.231 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.328 8.725 -10.901 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.946 7.241 -11.599 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.829 7.799 -14.275 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.193 9.136 -14.423 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.871 8.582 -15.806 1.00 0.00 H new ATOM 543 N VAL A 39 0.455 5.359 -11.054 1.00 0.00 N ATOM 544 CA VAL A 39 -0.061 4.132 -11.651 1.00 0.00 C ATOM 545 C VAL A 39 -1.262 4.419 -12.545 1.00 0.00 C ATOM 546 O VAL A 39 -2.408 4.447 -12.097 1.00 0.00 O ATOM 547 CB VAL A 39 -0.471 3.113 -10.571 1.00 0.00 C ATOM 548 CG1 VAL A 39 -0.680 1.738 -11.187 1.00 0.00 C ATOM 549 CG2 VAL A 39 0.575 3.058 -9.467 1.00 0.00 C ATOM 0 H VAL A 39 -0.252 5.935 -10.597 1.00 0.00 H new ATOM 0 HA VAL A 39 0.744 3.709 -12.253 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.415 3.435 -10.131 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.969 1.031 -10.409 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.467 1.792 -11.939 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.246 1.404 -11.655 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.270 2.333 -8.712 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.535 2.760 -9.889 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.671 4.042 -9.007 1.00 0.00 H new ATOM 559 N PRO A 40 -0.995 4.637 -13.841 1.00 0.00 N ATOM 560 CA PRO A 40 -2.042 4.924 -14.827 1.00 0.00 C ATOM 561 C PRO A 40 -2.920 3.710 -15.111 1.00 0.00 C ATOM 562 O PRO A 40 -4.076 3.849 -15.509 1.00 0.00 O ATOM 563 CB PRO A 40 -1.252 5.316 -16.079 1.00 0.00 C ATOM 564 CG PRO A 40 0.066 4.640 -15.922 1.00 0.00 C ATOM 565 CD PRO A 40 0.348 4.618 -14.445 1.00 0.00 C ATOM 0 HA PRO A 40 -2.728 5.696 -14.479 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.760 4.988 -16.986 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.136 6.397 -16.152 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.037 3.629 -16.329 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.847 5.178 -16.460 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.906 3.728 -14.156 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.940 5.480 -14.136 1.00 0.00 H new ATOM 573 N GLU A 41 -2.364 2.521 -14.902 1.00 0.00 N ATOM 574 CA GLU A 41 -3.098 1.283 -15.136 1.00 0.00 C ATOM 575 C GLU A 41 -4.255 1.142 -14.151 1.00 0.00 C ATOM 576 O GLU A 41 -5.190 0.376 -14.381 1.00 0.00 O ATOM 577 CB GLU A 41 -2.162 0.078 -15.017 1.00 0.00 C ATOM 578 CG GLU A 41 -1.004 0.108 -15.999 1.00 0.00 C ATOM 579 CD GLU A 41 -0.376 -1.257 -16.203 1.00 0.00 C ATOM 580 OE1 GLU A 41 -0.899 -2.032 -17.032 1.00 0.00 O ATOM 581 OE2 GLU A 41 0.636 -1.551 -15.534 1.00 0.00 O ATOM 0 H GLU A 41 -1.408 2.389 -14.571 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.506 1.318 -16.146 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.766 0.035 -14.002 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.737 -0.835 -15.174 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.356 0.489 -16.958 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.245 0.803 -15.639 1.00 0.00 H new ATOM 588 N SER A 42 -4.183 1.887 -13.052 1.00 0.00 N ATOM 589 CA SER A 42 -5.221 1.842 -12.029 1.00 0.00 C ATOM 590 C SER A 42 -5.371 3.199 -11.348 1.00 0.00 C ATOM 591 O SER A 42 -4.422 3.719 -10.761 1.00 0.00 O ATOM 592 CB SER A 42 -4.894 0.770 -10.988 1.00 0.00 C ATOM 593 OG SER A 42 -5.384 -0.498 -11.390 1.00 0.00 O ATOM 0 H SER A 42 -3.417 2.529 -12.848 1.00 0.00 H new ATOM 0 HA SER A 42 -6.165 1.592 -12.514 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.815 0.717 -10.843 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.332 1.045 -10.028 1.00 0.00 H new ATOM 0 HG SER A 42 -5.441 -0.532 -12.368 1.00 0.00 H new ATOM 599 N GLU A 43 -6.570 3.767 -11.431 1.00 0.00 N ATOM 600 CA GLU A 43 -6.844 5.064 -10.824 1.00 0.00 C ATOM 601 C GLU A 43 -7.165 4.913 -9.340 1.00 0.00 C ATOM 602 O GLU A 43 -8.289 4.579 -8.968 1.00 0.00 O ATOM 603 CB GLU A 43 -8.007 5.752 -11.541 1.00 0.00 C ATOM 604 CG GLU A 43 -7.997 7.265 -11.405 1.00 0.00 C ATOM 605 CD GLU A 43 -9.124 7.928 -12.173 1.00 0.00 C ATOM 606 OE1 GLU A 43 -9.089 7.899 -13.421 1.00 0.00 O ATOM 607 OE2 GLU A 43 -10.041 8.475 -11.526 1.00 0.00 O ATOM 0 H GLU A 43 -7.367 3.350 -11.912 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.950 5.679 -10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.976 5.491 -12.599 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.946 5.366 -11.145 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.075 7.532 -10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.043 7.652 -11.762 1.00 0.00 H new ATOM 614 N GLY A 44 -6.168 5.161 -8.496 1.00 0.00 N ATOM 615 CA GLY A 44 -6.363 5.047 -7.063 1.00 0.00 C ATOM 616 C GLY A 44 -5.742 3.787 -6.492 1.00 0.00 C ATOM 617 O GLY A 44 -6.326 3.139 -5.623 1.00 0.00 O ATOM 0 H GLY A 44 -5.228 5.439 -8.780 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.930 5.917 -6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.431 5.054 -6.843 1.00 0.00 H new ATOM 621 N TRP A 45 -4.558 3.439 -6.981 1.00 0.00 N ATOM 622 CA TRP A 45 -3.859 2.247 -6.515 1.00 0.00 C ATOM 623 C TRP A 45 -2.359 2.499 -6.415 1.00 0.00 C ATOM 624 O TRP A 45 -1.829 3.406 -7.058 1.00 0.00 O ATOM 625 CB TRP A 45 -4.129 1.071 -7.456 1.00 0.00 C ATOM 626 CG TRP A 45 -5.527 0.540 -7.356 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.647 1.065 -7.937 1.00 0.00 C ATOM 628 CD2 TRP A 45 -5.954 -0.619 -6.632 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.744 0.303 -7.616 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.346 -0.737 -6.818 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.297 -1.569 -5.846 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -8.088 -1.766 -6.245 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -6.035 -2.590 -5.278 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.419 -2.682 -5.480 1.00 0.00 C ATOM 0 H TRP A 45 -4.061 3.965 -7.700 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.234 2.002 -5.521 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.940 1.385 -8.482 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.426 0.268 -7.234 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.667 1.949 -8.557 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.700 0.483 -7.922 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.231 -1.507 -5.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.154 -1.839 -6.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.537 -3.329 -4.668 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -7.968 -3.492 -5.023 1.00 0.00 H new ATOM 645 N TRP A 46 -1.680 1.693 -5.607 1.00 0.00 N ATOM 646 CA TRP A 46 -0.240 1.831 -5.424 1.00 0.00 C ATOM 647 C TRP A 46 0.458 0.482 -5.563 1.00 0.00 C ATOM 648 O TRP A 46 -0.012 -0.528 -5.038 1.00 0.00 O ATOM 649 CB TRP A 46 0.065 2.438 -4.054 1.00 0.00 C ATOM 650 CG TRP A 46 -0.155 3.920 -3.999 1.00 0.00 C ATOM 651 CD1 TRP A 46 -0.091 4.797 -5.043 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.473 4.696 -2.839 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.350 6.073 -4.602 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.588 6.037 -3.254 1.00 0.00 C ATOM 655 CE3 TRP A 46 -0.674 4.389 -1.491 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -0.894 7.067 -2.368 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -0.977 5.412 -0.612 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.085 6.737 -1.054 1.00 0.00 C ATOM 0 H TRP A 46 -2.103 0.937 -5.068 1.00 0.00 H new ATOM 0 HA TRP A 46 0.138 2.496 -6.200 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.562 1.957 -3.303 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.100 2.221 -3.791 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.131 4.528 -6.065 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.363 6.910 -5.184 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.594 3.370 -1.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -0.978 8.089 -2.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.133 5.186 0.433 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.324 7.514 -0.343 1.00 0.00 H new ATOM 669 N LYS A 47 1.581 0.472 -6.271 1.00 0.00 N ATOM 670 CA LYS A 47 2.345 -0.753 -6.478 1.00 0.00 C ATOM 671 C LYS A 47 3.347 -0.966 -5.348 1.00 0.00 C ATOM 672 O LYS A 47 4.432 -0.382 -5.348 1.00 0.00 O ATOM 673 CB LYS A 47 3.078 -0.702 -7.820 1.00 0.00 C ATOM 674 CG LYS A 47 3.419 -2.072 -8.380 1.00 0.00 C ATOM 675 CD LYS A 47 2.290 -2.623 -9.234 1.00 0.00 C ATOM 676 CE LYS A 47 2.294 -2.009 -10.626 1.00 0.00 C ATOM 677 NZ LYS A 47 3.301 -2.652 -11.514 1.00 0.00 N ATOM 0 H LYS A 47 1.983 1.299 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 47 1.647 -1.590 -6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.460 -0.167 -8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.997 -0.129 -7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.329 -2.006 -8.977 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.625 -2.760 -7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.387 -3.706 -9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.334 -2.423 -8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.303 -2.108 -11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.504 -0.942 -10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.272 -2.205 -12.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.250 -2.535 -11.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.086 -3.665 -11.606 1.00 0.00 H new ATOM 691 N CYS A 48 2.979 -1.807 -4.387 1.00 0.00 N ATOM 692 CA CYS A 48 3.847 -2.097 -3.251 1.00 0.00 C ATOM 693 C CYS A 48 4.415 -3.510 -3.348 1.00 0.00 C ATOM 694 O CYS A 48 4.021 -4.291 -4.216 1.00 0.00 O ATOM 695 CB CYS A 48 3.077 -1.934 -1.940 1.00 0.00 C ATOM 696 SG CYS A 48 2.445 -0.263 -1.659 1.00 0.00 S ATOM 0 H CYS A 48 2.086 -2.300 -4.372 1.00 0.00 H new ATOM 0 HA CYS A 48 4.676 -1.389 -3.268 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.241 -2.633 -1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.729 -2.208 -1.111 1.00 0.00 H new ATOM 0 HG CYS A 48 1.634 -0.271 -0.643 1.00 0.00 H new ATOM 702 N LEU A 49 5.344 -3.831 -2.455 1.00 0.00 N ATOM 703 CA LEU A 49 5.968 -5.149 -2.440 1.00 0.00 C ATOM 704 C LEU A 49 5.914 -5.762 -1.044 1.00 0.00 C ATOM 705 O LEU A 49 6.350 -5.149 -0.069 1.00 0.00 O ATOM 706 CB LEU A 49 7.420 -5.052 -2.911 1.00 0.00 C ATOM 707 CG LEU A 49 8.202 -6.366 -2.950 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.500 -6.851 -1.540 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.432 -7.422 -3.728 1.00 0.00 C ATOM 0 H LEU A 49 5.682 -3.196 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 49 5.413 -5.794 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.429 -4.617 -3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.948 -4.358 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 49 9.149 -6.188 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.057 -7.787 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.093 -6.102 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.564 -7.012 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.003 -8.350 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.469 -7.598 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.271 -7.076 -4.749 1.00 0.00 H new ATOM 721 N LEU A 50 5.379 -6.974 -0.957 1.00 0.00 N ATOM 722 CA LEU A 50 5.270 -7.672 0.320 1.00 0.00 C ATOM 723 C LEU A 50 5.407 -9.179 0.130 1.00 0.00 C ATOM 724 O LEU A 50 4.737 -9.773 -0.715 1.00 0.00 O ATOM 725 CB LEU A 50 3.931 -7.350 0.987 1.00 0.00 C ATOM 726 CG LEU A 50 3.728 -7.917 2.392 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.348 -6.998 3.433 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.247 -8.124 2.675 1.00 0.00 C ATOM 0 H LEU A 50 5.014 -7.494 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 50 6.081 -7.330 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.823 -6.266 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.131 -7.722 0.348 1.00 0.00 H new ATOM 0 HG LEU A 50 4.227 -8.885 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.194 -7.418 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.417 -6.901 3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.879 -6.016 3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.122 -8.528 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.725 -7.170 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.832 -8.823 1.948 1.00 0.00 H new ATOM 740 N HIS A 51 6.279 -9.793 0.923 1.00 0.00 N ATOM 741 CA HIS A 51 6.503 -11.232 0.844 1.00 0.00 C ATOM 742 C HIS A 51 6.457 -11.711 -0.604 1.00 0.00 C ATOM 743 O HIS A 51 5.784 -12.690 -0.923 1.00 0.00 O ATOM 744 CB HIS A 51 5.457 -11.978 1.674 1.00 0.00 C ATOM 745 CG HIS A 51 5.569 -11.726 3.146 1.00 0.00 C ATOM 746 ND1 HIS A 51 6.591 -12.233 3.921 1.00 0.00 N ATOM 747 CD2 HIS A 51 4.781 -11.014 3.985 1.00 0.00 C ATOM 748 CE1 HIS A 51 6.425 -11.845 5.173 1.00 0.00 C ATOM 749 NE2 HIS A 51 5.334 -11.104 5.238 1.00 0.00 N ATOM 0 H HIS A 51 6.842 -9.317 1.628 1.00 0.00 H new ATOM 0 HA HIS A 51 7.494 -11.443 1.246 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.462 -11.685 1.338 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.554 -13.048 1.489 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.884 -10.475 3.718 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.072 -12.092 6.002 1.00 0.00 H new ATOM 0 HE2 HIS A 51 4.962 -10.669 6.082 1.00 0.00 H new ATOM 758 N GLY A 52 7.177 -11.013 -1.476 1.00 0.00 N ATOM 759 CA GLY A 52 7.204 -11.381 -2.880 1.00 0.00 C ATOM 760 C GLY A 52 5.833 -11.309 -3.524 1.00 0.00 C ATOM 761 O GLY A 52 5.412 -12.242 -4.208 1.00 0.00 O ATOM 0 H GLY A 52 7.742 -10.199 -1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.888 -10.720 -3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.596 -12.393 -2.980 1.00 0.00 H new ATOM 765 N ARG A 53 5.135 -10.201 -3.303 1.00 0.00 N ATOM 766 CA ARG A 53 3.803 -10.013 -3.865 1.00 0.00 C ATOM 767 C ARG A 53 3.866 -9.200 -5.155 1.00 0.00 C ATOM 768 O ARG A 53 3.468 -9.674 -6.218 1.00 0.00 O ATOM 769 CB ARG A 53 2.893 -9.313 -2.853 1.00 0.00 C ATOM 770 CG ARG A 53 2.337 -10.244 -1.788 1.00 0.00 C ATOM 771 CD ARG A 53 1.039 -10.895 -2.240 1.00 0.00 C ATOM 772 NE ARG A 53 0.680 -12.038 -1.405 1.00 0.00 N ATOM 773 CZ ARG A 53 1.273 -13.223 -1.487 1.00 0.00 C ATOM 774 NH1 ARG A 53 2.249 -13.421 -2.362 1.00 0.00 N ATOM 775 NH2 ARG A 53 0.890 -14.215 -0.692 1.00 0.00 N ATOM 0 H ARG A 53 5.469 -9.420 -2.739 1.00 0.00 H new ATOM 0 HA ARG A 53 3.392 -10.996 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.451 -8.512 -2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.064 -8.847 -3.385 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.072 -11.016 -1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.164 -9.685 -0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.235 -10.159 -2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.138 -11.220 -3.276 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.067 -11.919 -0.721 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.546 -12.662 -2.975 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.703 -14.333 -2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.139 -14.067 -0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.346 -15.125 -0.756 1.00 0.00 H new ATOM 789 N GLN A 54 4.370 -7.974 -5.052 1.00 0.00 N ATOM 790 CA GLN A 54 4.484 -7.096 -6.210 1.00 0.00 C ATOM 791 C GLN A 54 3.117 -6.838 -6.835 1.00 0.00 C ATOM 792 O GLN A 54 2.919 -7.052 -8.030 1.00 0.00 O ATOM 793 CB GLN A 54 5.426 -7.707 -7.249 1.00 0.00 C ATOM 794 CG GLN A 54 6.892 -7.393 -7.000 1.00 0.00 C ATOM 795 CD GLN A 54 7.728 -7.467 -8.262 1.00 0.00 C ATOM 796 OE1 GLN A 54 8.431 -8.450 -8.499 1.00 0.00 O ATOM 797 NE2 GLN A 54 7.655 -6.426 -9.083 1.00 0.00 N ATOM 0 H GLN A 54 4.706 -7.567 -4.179 1.00 0.00 H new ATOM 0 HA GLN A 54 4.894 -6.144 -5.873 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.291 -8.789 -7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.148 -7.343 -8.238 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.978 -6.395 -6.570 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.289 -8.092 -6.264 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.060 -5.632 -8.848 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.194 -6.421 -9.949 1.00 0.00 H new ATOM 806 N GLY A 55 2.175 -6.378 -6.017 1.00 0.00 N ATOM 807 CA GLY A 55 0.838 -6.099 -6.508 1.00 0.00 C ATOM 808 C GLY A 55 0.376 -4.696 -6.168 1.00 0.00 C ATOM 809 O GLY A 55 1.071 -3.958 -5.468 1.00 0.00 O ATOM 0 H GLY A 55 2.314 -6.194 -5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.816 -6.233 -7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.140 -6.821 -6.083 1.00 0.00 H new ATOM 813 N LEU A 56 -0.798 -4.325 -6.665 1.00 0.00 N ATOM 814 CA LEU A 56 -1.352 -2.999 -6.411 1.00 0.00 C ATOM 815 C LEU A 56 -2.039 -2.947 -5.051 1.00 0.00 C ATOM 816 O LEU A 56 -2.383 -3.981 -4.478 1.00 0.00 O ATOM 817 CB LEU A 56 -2.345 -2.621 -7.512 1.00 0.00 C ATOM 818 CG LEU A 56 -1.758 -2.434 -8.911 1.00 0.00 C ATOM 819 CD1 LEU A 56 -2.867 -2.353 -9.949 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.886 -1.188 -8.961 1.00 0.00 C ATOM 0 H LEU A 56 -1.385 -4.923 -7.246 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.530 -2.283 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.112 -3.394 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.843 -1.696 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.135 -3.298 -9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.430 -2.220 -10.939 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.450 -3.274 -9.931 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.516 -1.507 -9.722 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.476 -1.071 -9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.486 -0.314 -8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.070 -1.286 -8.245 1.00 0.00 H new ATOM 832 N ALA A 57 -2.238 -1.737 -4.540 1.00 0.00 N ATOM 833 CA ALA A 57 -2.888 -1.550 -3.248 1.00 0.00 C ATOM 834 C ALA A 57 -3.755 -0.296 -3.247 1.00 0.00 C ATOM 835 O ALA A 57 -3.413 0.726 -3.844 1.00 0.00 O ATOM 836 CB ALA A 57 -1.848 -1.476 -2.140 1.00 0.00 C ATOM 0 H ALA A 57 -1.959 -0.871 -5.001 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.535 -2.408 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.347 -1.336 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.273 -2.402 -2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.178 -0.637 -2.326 1.00 0.00 H new ATOM 842 N PRO A 58 -4.905 -0.371 -2.561 1.00 0.00 N ATOM 843 CA PRO A 58 -5.845 0.749 -2.465 1.00 0.00 C ATOM 844 C PRO A 58 -5.300 1.892 -1.616 1.00 0.00 C ATOM 845 O PRO A 58 -5.268 1.805 -0.389 1.00 0.00 O ATOM 846 CB PRO A 58 -7.074 0.126 -1.798 1.00 0.00 C ATOM 847 CG PRO A 58 -6.540 -1.034 -1.030 1.00 0.00 C ATOM 848 CD PRO A 58 -5.376 -1.557 -1.825 1.00 0.00 C ATOM 0 HA PRO A 58 -6.051 1.192 -3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.573 0.839 -1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.807 -0.193 -2.538 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.225 -0.729 -0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.303 -1.802 -0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.598 -1.964 -1.179 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.678 -2.356 -2.502 1.00 0.00 H new ATOM 856 N ALA A 59 -4.874 2.964 -2.277 1.00 0.00 N ATOM 857 CA ALA A 59 -4.333 4.125 -1.582 1.00 0.00 C ATOM 858 C ALA A 59 -5.344 4.693 -0.592 1.00 0.00 C ATOM 859 O ALA A 59 -4.987 5.448 0.311 1.00 0.00 O ATOM 860 CB ALA A 59 -3.914 5.191 -2.583 1.00 0.00 C ATOM 0 H ALA A 59 -4.893 3.052 -3.293 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.455 3.805 -1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.512 6.053 -2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.150 4.786 -3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.779 5.499 -3.170 1.00 0.00 H new ATOM 866 N ASN A 60 -6.609 4.326 -0.770 1.00 0.00 N ATOM 867 CA ASN A 60 -7.673 4.801 0.107 1.00 0.00 C ATOM 868 C ASN A 60 -7.609 4.108 1.465 1.00 0.00 C ATOM 869 O ASN A 60 -8.182 4.585 2.445 1.00 0.00 O ATOM 870 CB ASN A 60 -9.040 4.559 -0.538 1.00 0.00 C ATOM 871 CG ASN A 60 -10.170 5.199 0.246 1.00 0.00 C ATOM 872 OD1 ASN A 60 -10.287 6.423 0.299 1.00 0.00 O ATOM 873 ND2 ASN A 60 -11.008 4.371 0.859 1.00 0.00 N ATOM 0 H ASN A 60 -6.922 3.702 -1.513 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.534 5.871 0.259 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.035 4.956 -1.553 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.217 3.486 -0.616 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.787 4.743 1.401 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.872 3.363 0.787 1.00 0.00 H new ATOM 880 N ARG A 61 -6.909 2.979 1.514 1.00 0.00 N ATOM 881 CA ARG A 61 -6.771 2.220 2.751 1.00 0.00 C ATOM 882 C ARG A 61 -5.336 2.278 3.267 1.00 0.00 C ATOM 883 O ARG A 61 -4.986 1.606 4.239 1.00 0.00 O ATOM 884 CB ARG A 61 -7.186 0.764 2.530 1.00 0.00 C ATOM 885 CG ARG A 61 -8.590 0.610 1.970 1.00 0.00 C ATOM 886 CD ARG A 61 -9.154 -0.774 2.252 1.00 0.00 C ATOM 887 NE ARG A 61 -10.614 -0.785 2.235 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.336 -0.733 1.122 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.737 -0.667 -0.059 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.662 -0.747 1.188 1.00 0.00 N ATOM 0 H ARG A 61 -6.429 2.570 0.712 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.426 2.668 3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.478 0.293 1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.121 0.229 3.477 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.242 1.366 2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.575 0.786 0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.778 -1.477 1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.800 -1.118 3.224 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.106 -0.835 3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.719 -0.656 -0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.295 -0.627 -0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.127 -0.798 2.094 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.216 -0.707 0.332 1.00 0.00 H new ATOM 904 N LEU A 62 -4.509 3.083 2.610 1.00 0.00 N ATOM 905 CA LEU A 62 -3.111 3.229 3.002 1.00 0.00 C ATOM 906 C LEU A 62 -2.892 4.533 3.763 1.00 0.00 C ATOM 907 O LEU A 62 -3.668 5.478 3.629 1.00 0.00 O ATOM 908 CB LEU A 62 -2.208 3.188 1.768 1.00 0.00 C ATOM 909 CG LEU A 62 -1.798 1.798 1.282 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.144 1.011 2.407 1.00 0.00 C ATOM 911 CD2 LEU A 62 -3.003 1.047 0.734 1.00 0.00 C ATOM 0 H LEU A 62 -4.782 3.645 1.803 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.855 2.398 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.718 3.700 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.304 3.756 1.985 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.072 1.915 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.859 0.024 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.256 1.540 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.847 0.904 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.692 0.060 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.753 0.940 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.429 1.602 -0.102 1.00 0.00 H new ATOM 923 N GLN A 63 -1.829 4.575 4.560 1.00 0.00 N ATOM 924 CA GLN A 63 -1.508 5.764 5.341 1.00 0.00 C ATOM 925 C GLN A 63 -0.081 6.228 5.064 1.00 0.00 C ATOM 926 O GLN A 63 0.877 5.674 5.603 1.00 0.00 O ATOM 927 CB GLN A 63 -1.684 5.482 6.834 1.00 0.00 C ATOM 928 CG GLN A 63 -1.221 6.621 7.727 1.00 0.00 C ATOM 929 CD GLN A 63 -1.602 6.416 9.180 1.00 0.00 C ATOM 930 OE1 GLN A 63 -1.020 5.581 9.875 1.00 0.00 O ATOM 931 NE2 GLN A 63 -2.583 7.178 9.648 1.00 0.00 N ATOM 0 H GLN A 63 -1.176 3.801 4.682 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.193 6.558 5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.736 5.278 7.035 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.129 4.580 7.093 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.138 6.721 7.650 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.653 7.556 7.370 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.037 7.857 9.037 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.882 7.085 10.619 1.00 0.00 H new ATOM 940 N ILE A 64 0.051 7.247 4.221 1.00 0.00 N ATOM 941 CA ILE A 64 1.360 7.785 3.874 1.00 0.00 C ATOM 942 C ILE A 64 2.016 8.455 5.076 1.00 0.00 C ATOM 943 O ILE A 64 1.584 9.521 5.519 1.00 0.00 O ATOM 944 CB ILE A 64 1.262 8.804 2.723 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.674 8.141 1.475 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.632 9.394 2.420 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.357 6.845 1.100 1.00 0.00 C ATOM 0 H ILE A 64 -0.732 7.716 3.766 1.00 0.00 H new ATOM 0 HA ILE A 64 1.972 6.942 3.552 1.00 0.00 H new ATOM 0 HB ILE A 64 0.599 9.613 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.386 7.949 1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.745 8.835 0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.547 10.112 1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.016 9.897 3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.316 8.596 2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.888 6.432 0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.412 7.034 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.264 6.134 1.921 1.00 0.00 H new ATOM 959 N LEU A 65 3.061 7.826 5.600 1.00 0.00 N ATOM 960 CA LEU A 65 3.779 8.362 6.751 1.00 0.00 C ATOM 961 C LEU A 65 4.832 9.375 6.313 1.00 0.00 C ATOM 962 O LEU A 65 5.014 9.620 5.121 1.00 0.00 O ATOM 963 CB LEU A 65 4.442 7.229 7.537 1.00 0.00 C ATOM 964 CG LEU A 65 3.503 6.153 8.085 1.00 0.00 C ATOM 965 CD1 LEU A 65 4.276 4.884 8.408 1.00 0.00 C ATOM 966 CD2 LEU A 65 2.771 6.663 9.318 1.00 0.00 C ATOM 0 H LEU A 65 3.431 6.944 5.246 1.00 0.00 H new ATOM 0 HA LEU A 65 3.058 8.869 7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.177 6.747 6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.989 7.665 8.373 1.00 0.00 H new ATOM 0 HG LEU A 65 2.764 5.918 7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.592 4.130 8.797 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.754 4.509 7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.038 5.103 9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.107 5.885 9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.496 6.926 10.088 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.185 7.544 9.055 1.00 0.00 H new