USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 388 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 15 ASN : amide:sc= 0.328 K(o=0.88,f=0.14) USER MOD Set 1.2: A 26 TYR OH : rot 4:sc= 0.17 USER MOD Set 1.3: A 52 ASN : amide:sc= 0.38 K(o=0.88,f=-1.9!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.22! X(o=-1.2!,f=-1.4) USER MOD Single : A 21 ASN : amide:sc= -0.0965 K(o=-0.096,f=-2.6!) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 24 TYR OH : rot 180:sc= 0.0742 USER MOD Single : A 25 CYS SG : rot 27:sc= 0.428 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 57:sc= 1.05 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -1.22! K(o=-1.2!,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 6.590 3.232 11.349 1.00 0.00 N ATOM 2 CA ASP A 11 5.893 4.529 11.126 1.00 0.00 C ATOM 3 C ASP A 11 5.116 4.472 9.809 1.00 0.00 C ATOM 4 O ASP A 11 4.440 5.409 9.434 1.00 0.00 O ATOM 5 CB ASP A 11 6.925 5.657 11.059 1.00 0.00 C ATOM 6 CG ASP A 11 7.913 5.512 12.217 1.00 0.00 C ATOM 7 OD1 ASP A 11 8.669 4.554 12.208 1.00 0.00 O ATOM 8 OD2 ASP A 11 7.897 6.359 13.094 1.00 0.00 O ATOM 0 HA ASP A 11 5.202 4.715 11.948 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.456 5.623 10.108 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.426 6.625 11.111 1.00 0.00 H new ATOM 13 N LEU A 12 5.206 3.377 9.104 1.00 0.00 N ATOM 14 CA LEU A 12 4.477 3.253 7.812 1.00 0.00 C ATOM 15 C LEU A 12 3.033 2.813 8.091 1.00 0.00 C ATOM 16 O LEU A 12 2.772 2.138 9.066 1.00 0.00 O ATOM 17 CB LEU A 12 5.172 2.189 6.955 1.00 0.00 C ATOM 18 CG LEU A 12 6.521 2.720 6.433 1.00 0.00 C ATOM 19 CD1 LEU A 12 7.448 1.544 6.111 1.00 0.00 C ATOM 20 CD2 LEU A 12 6.309 3.548 5.158 1.00 0.00 C ATOM 0 H LEU A 12 5.756 2.560 9.370 1.00 0.00 H new ATOM 0 HA LEU A 12 4.474 4.209 7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.332 1.286 7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.533 1.913 6.116 1.00 0.00 H new ATOM 0 HG LEU A 12 6.969 3.348 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.401 1.923 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.616 0.955 7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.987 0.916 5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.270 3.917 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.851 2.924 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.655 4.392 5.377 1.00 0.00 H new ATOM 32 N PRO A 13 2.098 3.176 7.243 1.00 0.00 N ATOM 33 CA PRO A 13 0.669 2.783 7.424 1.00 0.00 C ATOM 34 C PRO A 13 0.495 1.259 7.323 1.00 0.00 C ATOM 35 O PRO A 13 1.327 0.574 6.761 1.00 0.00 O ATOM 36 CB PRO A 13 -0.066 3.509 6.279 1.00 0.00 C ATOM 37 CG PRO A 13 0.989 3.787 5.254 1.00 0.00 C ATOM 38 CD PRO A 13 2.289 3.991 6.030 1.00 0.00 C ATOM 0 HA PRO A 13 0.281 3.055 8.406 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.863 2.890 5.867 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.528 4.432 6.630 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.080 2.957 4.553 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.741 4.673 4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.155 3.660 5.456 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.450 5.041 6.273 1.00 0.00 H new ATOM 46 N PRO A 14 -0.569 0.730 7.870 1.00 0.00 N ATOM 47 CA PRO A 14 -0.839 -0.738 7.845 1.00 0.00 C ATOM 48 C PRO A 14 -1.063 -1.265 6.421 1.00 0.00 C ATOM 49 O PRO A 14 -1.179 -0.511 5.475 1.00 0.00 O ATOM 50 CB PRO A 14 -2.103 -0.898 8.705 1.00 0.00 C ATOM 51 CG PRO A 14 -2.763 0.441 8.666 1.00 0.00 C ATOM 52 CD PRO A 14 -1.634 1.466 8.568 1.00 0.00 C ATOM 0 HA PRO A 14 0.006 -1.313 8.222 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.757 -1.673 8.306 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.853 -1.186 9.726 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.436 0.519 7.812 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.363 0.606 9.561 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.942 2.352 8.012 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.311 1.804 9.553 1.00 0.00 H new ATOM 60 N ASN A 15 -1.125 -2.558 6.269 1.00 0.00 N ATOM 61 CA ASN A 15 -1.344 -3.142 4.916 1.00 0.00 C ATOM 62 C ASN A 15 -0.314 -2.579 3.935 1.00 0.00 C ATOM 63 O ASN A 15 -0.405 -2.796 2.743 1.00 0.00 O ATOM 64 CB ASN A 15 -2.751 -2.791 4.434 1.00 0.00 C ATOM 65 CG ASN A 15 -3.769 -3.178 5.509 1.00 0.00 C ATOM 66 OD1 ASN A 15 -3.715 -4.264 6.049 1.00 0.00 O ATOM 67 ND2 ASN A 15 -4.701 -2.327 5.844 1.00 0.00 N ATOM 0 H ASN A 15 -1.033 -3.237 7.024 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.234 -4.225 4.969 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.819 -1.724 4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.970 -3.316 3.504 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.384 -2.574 6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.746 -1.415 5.390 1.00 0.00 H new ATOM 74 N LEU A 16 0.670 -1.862 4.426 1.00 0.00 N ATOM 75 CA LEU A 16 1.719 -1.285 3.522 1.00 0.00 C ATOM 76 C LEU A 16 3.100 -1.544 4.117 1.00 0.00 C ATOM 77 O LEU A 16 3.315 -1.405 5.305 1.00 0.00 O ATOM 78 CB LEU A 16 1.502 0.230 3.366 1.00 0.00 C ATOM 79 CG LEU A 16 2.451 0.811 2.275 1.00 0.00 C ATOM 80 CD1 LEU A 16 1.761 1.965 1.542 1.00 0.00 C ATOM 81 CD2 LEU A 16 3.750 1.344 2.905 1.00 0.00 C ATOM 0 H LEU A 16 0.793 -1.651 5.416 1.00 0.00 H new ATOM 0 HA LEU A 16 1.648 -1.758 2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.465 0.428 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.685 0.729 4.318 1.00 0.00 H new ATOM 0 HG LEU A 16 2.689 0.008 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.431 2.365 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.849 1.601 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.511 2.751 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.396 1.744 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.511 2.133 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.264 0.533 3.420 1.00 0.00 H new ATOM 93 N TYR A 17 4.039 -1.925 3.291 1.00 0.00 N ATOM 94 CA TYR A 17 5.420 -2.204 3.782 1.00 0.00 C ATOM 95 C TYR A 17 6.433 -1.632 2.808 1.00 0.00 C ATOM 96 O TYR A 17 6.143 -0.732 2.043 1.00 0.00 O ATOM 97 CB TYR A 17 5.623 -3.713 3.873 1.00 0.00 C ATOM 98 CG TYR A 17 4.433 -4.313 4.564 1.00 0.00 C ATOM 99 CD1 TYR A 17 3.255 -4.543 3.848 1.00 0.00 C ATOM 100 CD2 TYR A 17 4.507 -4.621 5.919 1.00 0.00 C ATOM 101 CE1 TYR A 17 2.138 -5.086 4.495 1.00 0.00 C ATOM 102 CE2 TYR A 17 3.396 -5.167 6.573 1.00 0.00 C ATOM 103 CZ TYR A 17 2.210 -5.400 5.861 1.00 0.00 C ATOM 104 OH TYR A 17 1.112 -5.932 6.507 1.00 0.00 O ATOM 0 H TYR A 17 3.906 -2.056 2.288 1.00 0.00 H new ATOM 0 HA TYR A 17 5.554 -1.747 4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.738 -4.140 2.877 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.535 -3.940 4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.206 -4.302 2.796 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.421 -4.439 6.466 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.225 -5.262 3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.452 -5.408 7.624 1.00 0.00 H new ATOM 0 HH TYR A 17 1.332 -6.092 7.448 1.00 0.00 H new ATOM 114 N ILE A 18 7.624 -2.160 2.824 1.00 0.00 N ATOM 115 CA ILE A 18 8.674 -1.658 1.884 1.00 0.00 C ATOM 116 C ILE A 18 9.581 -2.807 1.437 1.00 0.00 C ATOM 117 O ILE A 18 9.752 -3.791 2.129 1.00 0.00 O ATOM 118 CB ILE A 18 9.498 -0.555 2.562 1.00 0.00 C ATOM 119 CG1 ILE A 18 10.262 0.238 1.489 1.00 0.00 C ATOM 120 CG2 ILE A 18 10.492 -1.168 3.557 1.00 0.00 C ATOM 121 CD1 ILE A 18 10.991 1.423 2.131 1.00 0.00 C ATOM 0 H ILE A 18 7.919 -2.915 3.443 1.00 0.00 H new ATOM 0 HA ILE A 18 8.189 -1.241 1.001 1.00 0.00 H new ATOM 0 HB ILE A 18 8.827 0.111 3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.979 -0.412 0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.569 0.596 0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.070 -0.374 4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.947 -1.724 4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.167 -1.842 3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.529 1.978 1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.266 2.079 2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.698 1.056 2.875 1.00 0.00 H new ATOM 133 N ARG A 19 10.160 -2.679 0.273 1.00 0.00 N ATOM 134 CA ARG A 19 11.061 -3.746 -0.256 1.00 0.00 C ATOM 135 C ARG A 19 12.514 -3.420 0.103 1.00 0.00 C ATOM 136 O ARG A 19 12.878 -2.275 0.276 1.00 0.00 O ATOM 137 CB ARG A 19 10.919 -3.800 -1.778 1.00 0.00 C ATOM 138 CG ARG A 19 11.762 -4.948 -2.332 1.00 0.00 C ATOM 139 CD ARG A 19 11.443 -5.149 -3.815 1.00 0.00 C ATOM 140 NE ARG A 19 11.587 -3.855 -4.544 1.00 0.00 N ATOM 141 CZ ARG A 19 11.696 -3.852 -5.844 1.00 0.00 C ATOM 142 NH1 ARG A 19 11.668 -4.978 -6.505 1.00 0.00 N ATOM 143 NH2 ARG A 19 11.832 -2.724 -6.486 1.00 0.00 N ATOM 0 H ARG A 19 10.046 -1.872 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 19 10.789 -4.707 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.873 -3.939 -2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.240 -2.855 -2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.822 -4.729 -2.204 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.557 -5.864 -1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.114 -5.894 -4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.428 -5.530 -3.930 1.00 0.00 H new ATOM 0 HE ARG A 19 11.600 -2.976 -4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.561 -5.860 -6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.753 -4.975 -7.521 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.853 -1.844 -5.971 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.917 -2.723 -7.502 1.00 0.00 H new ATOM 157 N ASN A 20 13.348 -4.418 0.209 1.00 0.00 N ATOM 158 CA ASN A 20 14.776 -4.162 0.548 1.00 0.00 C ATOM 159 C ASN A 20 15.368 -3.192 -0.479 1.00 0.00 C ATOM 160 O ASN A 20 16.473 -2.707 -0.328 1.00 0.00 O ATOM 161 CB ASN A 20 15.550 -5.484 0.519 1.00 0.00 C ATOM 162 CG ASN A 20 16.883 -5.322 1.252 1.00 0.00 C ATOM 163 OD1 ASN A 20 17.465 -6.289 1.702 1.00 0.00 O ATOM 164 ND2 ASN A 20 17.397 -4.131 1.392 1.00 0.00 N ATOM 0 H ASN A 20 13.102 -5.399 0.076 1.00 0.00 H new ATOM 0 HA ASN A 20 14.849 -3.726 1.544 1.00 0.00 H new ATOM 0 HB2 ASN A 20 14.960 -6.271 0.988 1.00 0.00 H new ATOM 0 HB3 ASN A 20 15.727 -5.790 -0.512 1.00 0.00 H new ATOM 0 HD21 ASN A 20 18.286 -4.013 1.878 1.00 0.00 H new ATOM 0 HD22 ASN A 20 16.910 -3.318 1.015 1.00 0.00 H new ATOM 171 N ASN A 21 14.636 -2.901 -1.521 1.00 0.00 N ATOM 172 CA ASN A 21 15.138 -1.963 -2.561 1.00 0.00 C ATOM 173 C ASN A 21 14.715 -0.541 -2.194 1.00 0.00 C ATOM 174 O ASN A 21 15.051 0.414 -2.868 1.00 0.00 O ATOM 175 CB ASN A 21 14.520 -2.334 -3.909 1.00 0.00 C ATOM 176 CG ASN A 21 15.092 -3.667 -4.395 1.00 0.00 C ATOM 177 OD1 ASN A 21 15.733 -4.377 -3.646 1.00 0.00 O ATOM 178 ND2 ASN A 21 14.884 -4.038 -5.629 1.00 0.00 N ATOM 0 H ASN A 21 13.704 -3.277 -1.696 1.00 0.00 H new ATOM 0 HA ASN A 21 16.225 -2.024 -2.622 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.436 -2.406 -3.815 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.725 -1.552 -4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.260 -4.925 -5.965 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.346 -3.441 -6.257 1.00 0.00 H new ATOM 185 N GLY A 22 13.971 -0.392 -1.130 1.00 0.00 N ATOM 186 CA GLY A 22 13.514 0.966 -0.717 1.00 0.00 C ATOM 187 C GLY A 22 12.214 1.302 -1.449 1.00 0.00 C ATOM 188 O GLY A 22 11.714 2.406 -1.374 1.00 0.00 O ATOM 0 H GLY A 22 13.660 -1.154 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.357 0.998 0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.279 1.707 -0.950 1.00 0.00 H new ATOM 192 N TYR A 23 11.664 0.351 -2.158 1.00 0.00 N ATOM 193 CA TYR A 23 10.394 0.602 -2.900 1.00 0.00 C ATOM 194 C TYR A 23 9.206 0.312 -1.981 1.00 0.00 C ATOM 195 O TYR A 23 9.209 -0.637 -1.224 1.00 0.00 O ATOM 196 CB TYR A 23 10.336 -0.322 -4.132 1.00 0.00 C ATOM 197 CG TYR A 23 11.042 0.330 -5.301 1.00 0.00 C ATOM 198 CD1 TYR A 23 12.440 0.415 -5.319 1.00 0.00 C ATOM 199 CD2 TYR A 23 10.297 0.849 -6.366 1.00 0.00 C ATOM 200 CE1 TYR A 23 13.091 1.017 -6.402 1.00 0.00 C ATOM 201 CE2 TYR A 23 10.945 1.451 -7.448 1.00 0.00 C ATOM 202 CZ TYR A 23 12.343 1.536 -7.467 1.00 0.00 C ATOM 203 OH TYR A 23 12.983 2.129 -8.535 1.00 0.00 O ATOM 0 H TYR A 23 12.041 -0.592 -2.255 1.00 0.00 H new ATOM 0 HA TYR A 23 10.354 1.642 -3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.804 -1.279 -3.902 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.298 -0.529 -4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.016 0.016 -4.497 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.219 0.784 -6.352 1.00 0.00 H new ATOM 0 HE1 TYR A 23 14.169 1.081 -6.417 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.368 1.850 -8.269 1.00 0.00 H new ATOM 0 HH TYR A 23 12.318 2.434 -9.187 1.00 0.00 H new ATOM 213 N TYR A 24 8.185 1.123 -2.045 1.00 0.00 N ATOM 214 CA TYR A 24 6.993 0.896 -1.181 1.00 0.00 C ATOM 215 C TYR A 24 6.046 -0.088 -1.871 1.00 0.00 C ATOM 216 O TYR A 24 6.025 -0.196 -3.081 1.00 0.00 O ATOM 217 CB TYR A 24 6.279 2.226 -0.951 1.00 0.00 C ATOM 218 CG TYR A 24 7.195 3.129 -0.163 1.00 0.00 C ATOM 219 CD1 TYR A 24 7.521 2.803 1.158 1.00 0.00 C ATOM 220 CD2 TYR A 24 7.728 4.284 -0.751 1.00 0.00 C ATOM 221 CE1 TYR A 24 8.379 3.630 1.892 1.00 0.00 C ATOM 222 CE2 TYR A 24 8.587 5.110 -0.018 1.00 0.00 C ATOM 223 CZ TYR A 24 8.913 4.782 1.303 1.00 0.00 C ATOM 224 OH TYR A 24 9.760 5.596 2.026 1.00 0.00 O ATOM 0 H TYR A 24 8.126 1.935 -2.660 1.00 0.00 H new ATOM 0 HA TYR A 24 7.305 0.482 -0.222 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.020 2.687 -1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.346 2.067 -0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.110 1.913 1.611 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.476 4.537 -1.770 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.629 3.379 2.912 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.998 6.000 -0.471 1.00 0.00 H new ATOM 0 HH TYR A 24 10.041 6.352 1.469 1.00 0.00 H new ATOM 234 N CYS A 25 5.266 -0.815 -1.113 1.00 0.00 N ATOM 235 CA CYS A 25 4.324 -1.798 -1.734 1.00 0.00 C ATOM 236 C CYS A 25 3.093 -1.977 -0.843 1.00 0.00 C ATOM 237 O CYS A 25 3.197 -2.064 0.364 1.00 0.00 O ATOM 238 CB CYS A 25 5.031 -3.145 -1.898 1.00 0.00 C ATOM 239 SG CYS A 25 5.597 -3.731 -0.282 1.00 0.00 S ATOM 0 H CYS A 25 5.239 -0.772 -0.094 1.00 0.00 H new ATOM 0 HA CYS A 25 4.010 -1.425 -2.709 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.352 -3.872 -2.343 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.878 -3.043 -2.577 1.00 0.00 H new ATOM 0 HG CYS A 25 4.842 -3.230 0.650 1.00 0.00 H new ATOM 245 N TYR A 26 1.922 -2.040 -1.433 1.00 0.00 N ATOM 246 CA TYR A 26 0.672 -2.221 -0.628 1.00 0.00 C ATOM 247 C TYR A 26 0.237 -3.687 -0.690 1.00 0.00 C ATOM 248 O TYR A 26 0.425 -4.353 -1.688 1.00 0.00 O ATOM 249 CB TYR A 26 -0.440 -1.345 -1.207 1.00 0.00 C ATOM 250 CG TYR A 26 -1.636 -1.382 -0.286 1.00 0.00 C ATOM 251 CD1 TYR A 26 -1.744 -0.460 0.762 1.00 0.00 C ATOM 252 CD2 TYR A 26 -2.636 -2.342 -0.481 1.00 0.00 C ATOM 253 CE1 TYR A 26 -2.853 -0.498 1.615 1.00 0.00 C ATOM 254 CE2 TYR A 26 -3.746 -2.378 0.372 1.00 0.00 C ATOM 255 CZ TYR A 26 -3.854 -1.456 1.420 1.00 0.00 C ATOM 256 OH TYR A 26 -4.947 -1.493 2.262 1.00 0.00 O ATOM 0 H TYR A 26 1.778 -1.974 -2.441 1.00 0.00 H new ATOM 0 HA TYR A 26 0.863 -1.935 0.406 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.088 -0.320 -1.323 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.719 -1.700 -2.199 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.972 0.280 0.912 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.552 -3.054 -1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.936 0.212 2.424 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.519 -3.117 0.221 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.896 -0.748 2.897 1.00 0.00 H new ATOM 266 N ARG A 27 -0.347 -4.192 0.370 1.00 0.00 N ATOM 267 CA ARG A 27 -0.801 -5.622 0.382 1.00 0.00 C ATOM 268 C ARG A 27 -2.326 -5.680 0.238 1.00 0.00 C ATOM 269 O ARG A 27 -3.060 -5.293 1.125 1.00 0.00 O ATOM 270 CB ARG A 27 -0.384 -6.277 1.708 1.00 0.00 C ATOM 271 CG ARG A 27 -1.092 -7.639 1.880 1.00 0.00 C ATOM 272 CD ARG A 27 -0.265 -8.562 2.788 1.00 0.00 C ATOM 273 NE ARG A 27 0.691 -9.341 1.953 1.00 0.00 N ATOM 274 CZ ARG A 27 1.688 -9.968 2.515 1.00 0.00 C ATOM 275 NH1 ARG A 27 1.848 -9.911 3.810 1.00 0.00 N ATOM 276 NH2 ARG A 27 2.523 -10.653 1.783 1.00 0.00 N ATOM 0 H ARG A 27 -0.530 -3.675 1.230 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.341 -6.156 -0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.697 -6.416 1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.637 -5.621 2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.083 -7.489 2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.234 -8.108 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.276 -7.974 3.529 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.922 -9.237 3.336 1.00 0.00 H new ATOM 0 HE ARG A 27 0.566 -9.384 0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.194 -9.377 4.382 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.627 -10.401 4.250 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.396 -10.698 0.772 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.302 -11.143 2.222 1.00 0.00 H new ATOM 290 N ASP A 28 -2.805 -6.175 -0.871 1.00 0.00 N ATOM 291 CA ASP A 28 -4.278 -6.273 -1.069 1.00 0.00 C ATOM 292 C ASP A 28 -4.821 -7.425 -0.196 1.00 0.00 C ATOM 293 O ASP A 28 -4.343 -8.536 -0.292 1.00 0.00 O ATOM 294 CB ASP A 28 -4.566 -6.579 -2.539 1.00 0.00 C ATOM 295 CG ASP A 28 -4.331 -5.323 -3.379 1.00 0.00 C ATOM 296 OD1 ASP A 28 -3.289 -4.710 -3.214 1.00 0.00 O ATOM 297 OD2 ASP A 28 -5.197 -4.994 -4.173 1.00 0.00 O ATOM 0 H ASP A 28 -2.239 -6.516 -1.648 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.756 -5.335 -0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.922 -7.387 -2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.595 -6.920 -2.655 1.00 0.00 H new ATOM 302 N PRO A 29 -5.803 -7.184 0.650 1.00 0.00 N ATOM 303 CA PRO A 29 -6.369 -8.254 1.524 1.00 0.00 C ATOM 304 C PRO A 29 -7.344 -9.178 0.779 1.00 0.00 C ATOM 305 O PRO A 29 -7.800 -10.167 1.314 1.00 0.00 O ATOM 306 CB PRO A 29 -7.095 -7.463 2.617 1.00 0.00 C ATOM 307 CG PRO A 29 -7.552 -6.216 1.932 1.00 0.00 C ATOM 308 CD PRO A 29 -6.482 -5.891 0.880 1.00 0.00 C ATOM 0 HA PRO A 29 -5.596 -8.923 1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.937 -8.025 3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.431 -7.237 3.452 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.526 -6.363 1.465 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.660 -5.398 2.644 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -6.928 -5.505 -0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.786 -5.133 1.239 1.00 0.00 H new ATOM 316 N ARG A 30 -7.667 -8.868 -0.451 1.00 0.00 N ATOM 317 CA ARG A 30 -8.611 -9.742 -1.218 1.00 0.00 C ATOM 318 C ARG A 30 -7.816 -10.828 -1.950 1.00 0.00 C ATOM 319 O ARG A 30 -8.306 -11.918 -2.173 1.00 0.00 O ATOM 320 CB ARG A 30 -9.417 -8.909 -2.227 1.00 0.00 C ATOM 321 CG ARG A 30 -8.490 -8.010 -3.049 1.00 0.00 C ATOM 322 CD ARG A 30 -9.332 -7.012 -3.848 1.00 0.00 C ATOM 323 NE ARG A 30 -10.167 -6.208 -2.911 1.00 0.00 N ATOM 324 CZ ARG A 30 -10.720 -5.098 -3.316 1.00 0.00 C ATOM 325 NH1 ARG A 30 -10.538 -4.687 -4.541 1.00 0.00 N ATOM 326 NH2 ARG A 30 -11.451 -4.396 -2.494 1.00 0.00 N ATOM 0 H ARG A 30 -7.321 -8.052 -0.957 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.309 -10.208 -0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.973 -9.571 -2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.150 -8.299 -1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.802 -7.479 -2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.883 -8.614 -3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.684 -6.356 -4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.968 -7.542 -4.557 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.306 -6.526 -1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.963 -5.234 -5.182 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.971 -3.819 -4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.590 -4.715 -1.535 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.884 -3.528 -2.810 1.00 0.00 H new ATOM 340 N THR A 31 -6.584 -10.544 -2.302 1.00 0.00 N ATOM 341 CA THR A 31 -5.727 -11.559 -3.002 1.00 0.00 C ATOM 342 C THR A 31 -4.539 -11.897 -2.098 1.00 0.00 C ATOM 343 O THR A 31 -4.011 -12.990 -2.132 1.00 0.00 O ATOM 344 CB THR A 31 -5.221 -10.988 -4.331 1.00 0.00 C ATOM 345 OG1 THR A 31 -4.214 -11.840 -4.858 1.00 0.00 O ATOM 346 CG2 THR A 31 -4.643 -9.594 -4.104 1.00 0.00 C ATOM 0 H THR A 31 -6.131 -9.646 -2.134 1.00 0.00 H new ATOM 0 HA THR A 31 -6.309 -12.458 -3.208 1.00 0.00 H new ATOM 0 HB THR A 31 -6.049 -10.924 -5.036 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.891 -11.477 -5.709 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.284 -9.190 -5.051 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.417 -8.940 -3.701 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.815 -9.654 -3.398 1.00 0.00 H new ATOM 354 N GLY A 32 -4.132 -10.967 -1.273 1.00 0.00 N ATOM 355 CA GLY A 32 -2.992 -11.227 -0.342 1.00 0.00 C ATOM 356 C GLY A 32 -1.659 -10.882 -1.013 1.00 0.00 C ATOM 357 O GLY A 32 -0.636 -10.796 -0.363 1.00 0.00 O ATOM 0 H GLY A 32 -4.541 -10.035 -1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.113 -10.634 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.993 -12.274 -0.040 1.00 0.00 H new ATOM 361 N LYS A 33 -1.655 -10.686 -2.303 1.00 0.00 N ATOM 362 CA LYS A 33 -0.376 -10.352 -2.997 1.00 0.00 C ATOM 363 C LYS A 33 -0.018 -8.884 -2.751 1.00 0.00 C ATOM 364 O LYS A 33 -0.713 -8.175 -2.050 1.00 0.00 O ATOM 365 CB LYS A 33 -0.530 -10.620 -4.502 1.00 0.00 C ATOM 366 CG LYS A 33 -0.311 -12.113 -4.792 1.00 0.00 C ATOM 367 CD LYS A 33 -1.169 -12.962 -3.844 1.00 0.00 C ATOM 368 CE LYS A 33 -1.273 -14.393 -4.383 1.00 0.00 C ATOM 369 NZ LYS A 33 -1.687 -15.310 -3.282 1.00 0.00 N ATOM 0 H LYS A 33 -2.476 -10.742 -2.905 1.00 0.00 H new ATOM 0 HA LYS A 33 0.427 -10.975 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.523 -10.318 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.189 -10.022 -5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.572 -12.333 -5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.742 -12.366 -4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.728 -12.970 -2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.163 -12.526 -3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.997 -14.435 -5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.314 -14.709 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.758 -16.281 -3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.981 -15.278 -2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.612 -15.012 -2.911 1.00 0.00 H new ATOM 383 N GLU A 34 1.075 -8.431 -3.317 1.00 0.00 N ATOM 384 CA GLU A 34 1.514 -7.013 -3.121 1.00 0.00 C ATOM 385 C GLU A 34 1.319 -6.216 -4.414 1.00 0.00 C ATOM 386 O GLU A 34 0.954 -6.756 -5.441 1.00 0.00 O ATOM 387 CB GLU A 34 2.995 -6.999 -2.738 1.00 0.00 C ATOM 388 CG GLU A 34 3.228 -7.940 -1.552 1.00 0.00 C ATOM 389 CD GLU A 34 3.210 -9.393 -2.035 1.00 0.00 C ATOM 390 OE1 GLU A 34 3.920 -9.693 -2.980 1.00 0.00 O ATOM 391 OE2 GLU A 34 2.486 -10.182 -1.449 1.00 0.00 O ATOM 0 H GLU A 34 1.687 -8.989 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 34 0.917 -6.558 -2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.604 -7.310 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.304 -5.987 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.184 -7.715 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.456 -7.788 -0.797 1.00 0.00 H new ATOM 398 N PHE A 35 1.559 -4.929 -4.364 1.00 0.00 N ATOM 399 CA PHE A 35 1.393 -4.068 -5.578 1.00 0.00 C ATOM 400 C PHE A 35 2.564 -3.079 -5.650 1.00 0.00 C ATOM 401 O PHE A 35 2.811 -2.327 -4.728 1.00 0.00 O ATOM 402 CB PHE A 35 0.062 -3.293 -5.473 1.00 0.00 C ATOM 403 CG PHE A 35 -1.061 -4.093 -6.100 1.00 0.00 C ATOM 404 CD1 PHE A 35 -1.582 -5.210 -5.438 1.00 0.00 C ATOM 405 CD2 PHE A 35 -1.577 -3.712 -7.345 1.00 0.00 C ATOM 406 CE1 PHE A 35 -2.620 -5.949 -6.022 1.00 0.00 C ATOM 407 CE2 PHE A 35 -2.616 -4.450 -7.928 1.00 0.00 C ATOM 408 CZ PHE A 35 -3.136 -5.568 -7.265 1.00 0.00 C ATOM 0 H PHE A 35 1.866 -4.433 -3.527 1.00 0.00 H new ATOM 0 HA PHE A 35 1.380 -4.685 -6.476 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.167 -3.089 -4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.154 -2.329 -5.973 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.185 -5.503 -4.477 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.174 -2.850 -7.856 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.021 -6.812 -5.512 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.015 -4.157 -8.888 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.937 -6.137 -7.714 1.00 0.00 H new ATOM 418 N GLY A 36 3.282 -3.075 -6.741 1.00 0.00 N ATOM 419 CA GLY A 36 4.430 -2.135 -6.873 1.00 0.00 C ATOM 420 C GLY A 36 3.899 -0.708 -7.017 1.00 0.00 C ATOM 421 O GLY A 36 3.019 -0.445 -7.814 1.00 0.00 O ATOM 0 H GLY A 36 3.123 -3.682 -7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.077 -2.208 -5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.034 -2.400 -7.741 1.00 0.00 H new ATOM 425 N LEU A 37 4.425 0.214 -6.246 1.00 0.00 N ATOM 426 CA LEU A 37 3.957 1.637 -6.316 1.00 0.00 C ATOM 427 C LEU A 37 5.121 2.540 -6.737 1.00 0.00 C ATOM 428 O LEU A 37 5.037 3.270 -7.704 1.00 0.00 O ATOM 429 CB LEU A 37 3.455 2.077 -4.934 1.00 0.00 C ATOM 430 CG LEU A 37 2.599 0.973 -4.303 1.00 0.00 C ATOM 431 CD1 LEU A 37 2.184 1.395 -2.891 1.00 0.00 C ATOM 432 CD2 LEU A 37 1.346 0.729 -5.158 1.00 0.00 C ATOM 0 H LEU A 37 5.165 0.041 -5.565 1.00 0.00 H new ATOM 0 HA LEU A 37 3.150 1.716 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.302 2.304 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.870 2.992 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 37 3.180 0.052 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.575 0.611 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.074 1.557 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.607 2.318 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.743 -0.057 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.761 1.647 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.644 0.423 -6.161 1.00 0.00 H new ATOM 444 N GLY A 38 6.204 2.499 -6.010 1.00 0.00 N ATOM 445 CA GLY A 38 7.379 3.356 -6.349 1.00 0.00 C ATOM 446 C GLY A 38 8.085 3.773 -5.058 1.00 0.00 C ATOM 447 O GLY A 38 7.768 3.297 -3.987 1.00 0.00 O ATOM 0 H GLY A 38 6.327 1.905 -5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.068 2.811 -6.995 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.054 4.238 -6.901 1.00 0.00 H new ATOM 451 N ARG A 39 9.043 4.659 -5.148 1.00 0.00 N ATOM 452 CA ARG A 39 9.771 5.108 -3.921 1.00 0.00 C ATOM 453 C ARG A 39 9.129 6.393 -3.399 1.00 0.00 C ATOM 454 O ARG A 39 9.663 7.061 -2.535 1.00 0.00 O ATOM 455 CB ARG A 39 11.241 5.393 -4.262 1.00 0.00 C ATOM 456 CG ARG A 39 11.823 4.305 -5.214 1.00 0.00 C ATOM 457 CD ARG A 39 12.169 4.919 -6.580 1.00 0.00 C ATOM 458 NE ARG A 39 11.043 5.774 -7.051 1.00 0.00 N ATOM 459 CZ ARG A 39 11.242 6.653 -7.996 1.00 0.00 C ATOM 460 NH1 ARG A 39 12.432 6.804 -8.512 1.00 0.00 N ATOM 461 NH2 ARG A 39 10.252 7.389 -8.421 1.00 0.00 N ATOM 0 H ARG A 39 9.354 5.092 -6.018 1.00 0.00 H new ATOM 0 HA ARG A 39 9.717 4.325 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.324 6.373 -4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.829 5.429 -3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.715 3.864 -4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.099 3.500 -5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.080 5.513 -6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.365 4.129 -7.305 1.00 0.00 H new ATOM 0 HE ARG A 39 10.117 5.673 -6.635 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.209 6.235 -8.177 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.584 7.491 -9.250 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.323 7.278 -8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.407 8.076 -9.159 1.00 0.00 H new ATOM 475 N ASP A 40 7.997 6.751 -3.928 1.00 0.00 N ATOM 476 CA ASP A 40 7.324 8.005 -3.479 1.00 0.00 C ATOM 477 C ASP A 40 6.356 7.685 -2.344 1.00 0.00 C ATOM 478 O ASP A 40 5.197 7.394 -2.566 1.00 0.00 O ATOM 479 CB ASP A 40 6.530 8.598 -4.647 1.00 0.00 C ATOM 480 CG ASP A 40 7.492 9.188 -5.681 1.00 0.00 C ATOM 481 OD1 ASP A 40 8.614 9.493 -5.312 1.00 0.00 O ATOM 482 OD2 ASP A 40 7.086 9.331 -6.823 1.00 0.00 O ATOM 0 H ASP A 40 7.504 6.231 -4.654 1.00 0.00 H new ATOM 0 HA ASP A 40 8.076 8.716 -3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.914 7.827 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.853 9.371 -4.283 1.00 0.00 H new ATOM 487 N ARG A 41 6.814 7.749 -1.123 1.00 0.00 N ATOM 488 CA ARG A 41 5.904 7.465 0.015 1.00 0.00 C ATOM 489 C ARG A 41 4.690 8.382 -0.108 1.00 0.00 C ATOM 490 O ARG A 41 3.696 8.208 0.556 1.00 0.00 O ATOM 491 CB ARG A 41 6.626 7.722 1.342 1.00 0.00 C ATOM 492 CG ARG A 41 7.254 9.117 1.335 1.00 0.00 C ATOM 493 CD ARG A 41 7.763 9.451 2.738 1.00 0.00 C ATOM 494 NE ARG A 41 8.760 8.429 3.161 1.00 0.00 N ATOM 495 CZ ARG A 41 9.548 8.668 4.173 1.00 0.00 C ATOM 496 NH1 ARG A 41 9.467 9.802 4.812 1.00 0.00 N ATOM 497 NH2 ARG A 41 10.417 7.768 4.546 1.00 0.00 N ATOM 0 H ARG A 41 7.773 7.984 -0.869 1.00 0.00 H new ATOM 0 HA ARG A 41 5.590 6.421 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.923 7.635 2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.397 6.968 1.498 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.075 9.155 0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.520 9.857 1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.217 10.442 2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.931 9.476 3.442 1.00 0.00 H new ATOM 0 HE ARG A 41 8.827 7.543 2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.787 10.504 4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.084 9.987 5.603 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.479 6.881 4.047 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.034 7.952 5.337 1.00 0.00 H new ATOM 511 N ARG A 42 4.778 9.362 -0.963 1.00 0.00 N ATOM 512 CA ARG A 42 3.657 10.308 -1.156 1.00 0.00 C ATOM 513 C ARG A 42 2.534 9.620 -1.926 1.00 0.00 C ATOM 514 O ARG A 42 1.408 9.549 -1.477 1.00 0.00 O ATOM 515 CB ARG A 42 4.178 11.513 -1.943 1.00 0.00 C ATOM 516 CG ARG A 42 5.620 11.850 -1.482 1.00 0.00 C ATOM 517 CD ARG A 42 5.804 13.358 -1.432 1.00 0.00 C ATOM 518 NE ARG A 42 7.222 13.679 -1.099 1.00 0.00 N ATOM 519 CZ ARG A 42 7.668 14.897 -1.254 1.00 0.00 C ATOM 520 NH1 ARG A 42 6.868 15.836 -1.680 1.00 0.00 N ATOM 521 NH2 ARG A 42 8.912 15.174 -0.977 1.00 0.00 N ATOM 0 H ARG A 42 5.596 9.546 -1.544 1.00 0.00 H new ATOM 0 HA ARG A 42 3.265 10.636 -0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.168 11.295 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.525 12.372 -1.787 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.808 11.419 -0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.344 11.408 -2.167 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.537 13.799 -2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.138 13.791 -0.686 1.00 0.00 H new ATOM 0 HE ARG A 42 7.843 12.948 -0.751 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.894 15.619 -1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.217 16.787 -1.801 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.535 14.440 -0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.262 16.125 -1.097 1.00 0.00 H new ATOM 535 N ILE A 43 2.835 9.116 -3.089 1.00 0.00 N ATOM 536 CA ILE A 43 1.785 8.439 -3.890 1.00 0.00 C ATOM 537 C ILE A 43 1.502 7.066 -3.287 1.00 0.00 C ATOM 538 O ILE A 43 0.379 6.604 -3.270 1.00 0.00 O ATOM 539 CB ILE A 43 2.261 8.285 -5.342 1.00 0.00 C ATOM 540 CG1 ILE A 43 2.259 9.657 -6.027 1.00 0.00 C ATOM 541 CG2 ILE A 43 1.327 7.333 -6.104 1.00 0.00 C ATOM 542 CD1 ILE A 43 3.109 9.598 -7.297 1.00 0.00 C ATOM 0 H ILE A 43 3.761 9.144 -3.517 1.00 0.00 H new ATOM 0 HA ILE A 43 0.873 9.035 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 43 3.270 7.873 -5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.239 9.950 -6.274 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.653 10.414 -5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.673 7.230 -7.133 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.330 6.356 -5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.314 7.736 -6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.106 10.574 -7.782 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.132 9.324 -7.038 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.696 8.853 -7.977 1.00 0.00 H new ATOM 554 N ALA A 44 2.511 6.405 -2.802 1.00 0.00 N ATOM 555 CA ALA A 44 2.291 5.061 -2.211 1.00 0.00 C ATOM 556 C ALA A 44 1.386 5.184 -0.979 1.00 0.00 C ATOM 557 O ALA A 44 0.335 4.582 -0.915 1.00 0.00 O ATOM 558 CB ALA A 44 3.646 4.446 -1.833 1.00 0.00 C ATOM 0 H ALA A 44 3.476 6.736 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 44 1.801 4.411 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.489 3.459 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.266 4.355 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.146 5.087 -1.107 1.00 0.00 H new ATOM 564 N ILE A 45 1.765 5.961 -0.003 1.00 0.00 N ATOM 565 CA ILE A 45 0.889 6.101 1.196 1.00 0.00 C ATOM 566 C ILE A 45 -0.494 6.559 0.737 1.00 0.00 C ATOM 567 O ILE A 45 -1.508 6.099 1.224 1.00 0.00 O ATOM 568 CB ILE A 45 1.472 7.136 2.168 1.00 0.00 C ATOM 569 CG1 ILE A 45 2.760 6.579 2.785 1.00 0.00 C ATOM 570 CG2 ILE A 45 0.453 7.446 3.278 1.00 0.00 C ATOM 571 CD1 ILE A 45 3.486 7.686 3.552 1.00 0.00 C ATOM 0 H ILE A 45 2.631 6.499 0.019 1.00 0.00 H new ATOM 0 HA ILE A 45 0.822 5.142 1.709 1.00 0.00 H new ATOM 0 HB ILE A 45 1.694 8.056 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.525 5.753 3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.407 6.181 2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.874 8.181 3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.459 7.845 2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.221 6.532 3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.401 7.286 3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.735 8.499 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.840 8.063 4.345 1.00 0.00 H new ATOM 583 N THR A 46 -0.539 7.466 -0.198 1.00 0.00 N ATOM 584 CA THR A 46 -1.850 7.960 -0.691 1.00 0.00 C ATOM 585 C THR A 46 -2.690 6.783 -1.178 1.00 0.00 C ATOM 586 O THR A 46 -3.792 6.568 -0.722 1.00 0.00 O ATOM 587 CB THR A 46 -1.630 8.938 -1.846 1.00 0.00 C ATOM 588 OG1 THR A 46 -0.952 10.088 -1.362 1.00 0.00 O ATOM 589 CG2 THR A 46 -2.981 9.346 -2.435 1.00 0.00 C ATOM 0 H THR A 46 0.278 7.886 -0.641 1.00 0.00 H new ATOM 0 HA THR A 46 -2.371 8.468 0.121 1.00 0.00 H new ATOM 0 HB THR A 46 -1.030 8.461 -2.621 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.112 9.817 -0.935 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.824 10.043 -3.258 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.500 8.461 -2.803 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.584 9.825 -1.664 1.00 0.00 H new ATOM 597 N GLU A 47 -2.183 6.022 -2.103 1.00 0.00 N ATOM 598 CA GLU A 47 -2.968 4.870 -2.623 1.00 0.00 C ATOM 599 C GLU A 47 -3.286 3.913 -1.466 1.00 0.00 C ATOM 600 O GLU A 47 -4.285 3.221 -1.475 1.00 0.00 O ATOM 601 CB GLU A 47 -2.165 4.182 -3.755 1.00 0.00 C ATOM 602 CG GLU A 47 -1.377 2.972 -3.242 1.00 0.00 C ATOM 603 CD GLU A 47 -2.308 1.764 -3.099 1.00 0.00 C ATOM 604 OE1 GLU A 47 -2.900 1.376 -4.093 1.00 0.00 O ATOM 605 OE2 GLU A 47 -2.412 1.247 -1.998 1.00 0.00 O ATOM 0 H GLU A 47 -1.261 6.146 -2.522 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.917 5.202 -3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.848 3.863 -4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.477 4.901 -4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.566 2.737 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.921 3.206 -2.280 1.00 0.00 H new ATOM 612 N ALA A 48 -2.457 3.891 -0.461 1.00 0.00 N ATOM 613 CA ALA A 48 -2.721 3.007 0.708 1.00 0.00 C ATOM 614 C ALA A 48 -4.017 3.466 1.391 1.00 0.00 C ATOM 615 O ALA A 48 -4.888 2.679 1.700 1.00 0.00 O ATOM 616 CB ALA A 48 -1.548 3.108 1.693 1.00 0.00 C ATOM 0 H ALA A 48 -1.605 4.449 -0.398 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.826 1.972 0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.737 2.462 2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.629 2.794 1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.444 4.139 2.031 1.00 0.00 H new ATOM 622 N ILE A 49 -4.133 4.744 1.633 1.00 0.00 N ATOM 623 CA ILE A 49 -5.355 5.284 2.300 1.00 0.00 C ATOM 624 C ILE A 49 -6.596 4.969 1.464 1.00 0.00 C ATOM 625 O ILE A 49 -7.569 4.439 1.962 1.00 0.00 O ATOM 626 CB ILE A 49 -5.210 6.797 2.465 1.00 0.00 C ATOM 627 CG1 ILE A 49 -4.026 7.085 3.389 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.486 7.377 3.078 1.00 0.00 C ATOM 629 CD1 ILE A 49 -3.718 8.584 3.375 1.00 0.00 C ATOM 0 H ILE A 49 -3.429 5.443 1.396 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.467 4.818 3.279 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.042 7.256 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.256 6.760 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.152 6.521 3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.377 8.455 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.332 7.166 2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.659 6.924 4.054 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.874 8.788 4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.470 8.895 2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.591 9.138 3.721 1.00 0.00 H new ATOM 641 N GLN A 50 -6.578 5.284 0.199 1.00 0.00 N ATOM 642 CA GLN A 50 -7.769 4.986 -0.645 1.00 0.00 C ATOM 643 C GLN A 50 -8.030 3.487 -0.586 1.00 0.00 C ATOM 644 O GLN A 50 -9.158 3.039 -0.551 1.00 0.00 O ATOM 645 CB GLN A 50 -7.505 5.403 -2.095 1.00 0.00 C ATOM 646 CG GLN A 50 -6.867 6.788 -2.115 1.00 0.00 C ATOM 647 CD GLN A 50 -6.753 7.282 -3.557 1.00 0.00 C ATOM 648 OE1 GLN A 50 -6.015 6.724 -4.346 1.00 0.00 O ATOM 649 NE2 GLN A 50 -7.457 8.311 -3.939 1.00 0.00 N ATOM 0 H GLN A 50 -5.798 5.731 -0.284 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.633 5.539 -0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.848 4.681 -2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.438 5.412 -2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.467 7.484 -1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.880 6.751 -1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.076 8.779 -3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.389 8.648 -4.899 1.00 0.00 H new ATOM 658 N ALA A 51 -6.988 2.706 -0.554 1.00 0.00 N ATOM 659 CA ALA A 51 -7.168 1.233 -0.472 1.00 0.00 C ATOM 660 C ALA A 51 -7.802 0.898 0.879 1.00 0.00 C ATOM 661 O ALA A 51 -8.647 0.031 0.986 1.00 0.00 O ATOM 662 CB ALA A 51 -5.808 0.539 -0.592 1.00 0.00 C ATOM 0 H ALA A 51 -6.020 3.025 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.811 0.888 -1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.944 -0.541 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.352 0.794 -1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.158 0.869 0.219 1.00 0.00 H new ATOM 668 N ASN A 52 -7.401 1.592 1.911 1.00 0.00 N ATOM 669 CA ASN A 52 -7.977 1.331 3.258 1.00 0.00 C ATOM 670 C ASN A 52 -9.446 1.765 3.272 1.00 0.00 C ATOM 671 O ASN A 52 -10.295 1.098 3.825 1.00 0.00 O ATOM 672 CB ASN A 52 -7.195 2.132 4.304 1.00 0.00 C ATOM 673 CG ASN A 52 -5.906 1.391 4.672 1.00 0.00 C ATOM 674 OD1 ASN A 52 -5.851 0.178 4.617 1.00 0.00 O ATOM 675 ND2 ASN A 52 -4.859 2.074 5.049 1.00 0.00 N ATOM 0 H ASN A 52 -6.697 2.330 1.877 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.910 0.268 3.489 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.957 3.121 3.914 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.807 2.279 5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.996 1.590 5.297 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.904 3.092 5.096 1.00 0.00 H new ATOM 682 N ILE A 53 -9.750 2.877 2.666 1.00 0.00 N ATOM 683 CA ILE A 53 -11.164 3.343 2.644 1.00 0.00 C ATOM 684 C ILE A 53 -11.962 2.427 1.723 1.00 0.00 C ATOM 685 O ILE A 53 -13.075 2.040 2.018 1.00 0.00 O ATOM 686 CB ILE A 53 -11.221 4.780 2.120 1.00 0.00 C ATOM 687 CG1 ILE A 53 -10.401 5.685 3.042 1.00 0.00 C ATOM 688 CG2 ILE A 53 -12.674 5.260 2.093 1.00 0.00 C ATOM 689 CD1 ILE A 53 -10.150 7.028 2.355 1.00 0.00 C ATOM 0 H ILE A 53 -9.084 3.482 2.186 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.584 3.316 3.650 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.811 4.817 1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.931 5.840 3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.452 5.208 3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.712 6.283 1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -13.259 4.613 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.087 5.226 3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.566 7.670 3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.601 6.865 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.104 7.507 2.133 1.00 0.00 H new ATOM 701 N GLU A 54 -11.389 2.073 0.609 1.00 0.00 N ATOM 702 CA GLU A 54 -12.090 1.175 -0.344 1.00 0.00 C ATOM 703 C GLU A 54 -12.139 -0.241 0.233 1.00 0.00 C ATOM 704 O GLU A 54 -12.938 -1.060 -0.178 1.00 0.00 O ATOM 705 CB GLU A 54 -11.330 1.151 -1.669 1.00 0.00 C ATOM 706 CG GLU A 54 -11.489 2.498 -2.379 1.00 0.00 C ATOM 707 CD GLU A 54 -12.931 2.654 -2.867 1.00 0.00 C ATOM 708 OE1 GLU A 54 -13.737 3.176 -2.113 1.00 0.00 O ATOM 709 OE2 GLU A 54 -13.204 2.253 -3.985 1.00 0.00 O ATOM 0 H GLU A 54 -10.458 2.370 0.317 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.104 1.539 -0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.275 0.945 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.708 0.348 -2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.235 3.311 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.800 2.560 -3.222 1.00 0.00 H new ATOM 716 N LEU A 55 -11.292 -0.541 1.182 1.00 0.00 N ATOM 717 CA LEU A 55 -11.301 -1.910 1.773 1.00 0.00 C ATOM 718 C LEU A 55 -12.681 -2.177 2.376 1.00 0.00 C ATOM 719 O LEU A 55 -13.142 -3.299 2.428 1.00 0.00 O ATOM 720 CB LEU A 55 -10.226 -2.007 2.864 1.00 0.00 C ATOM 721 CG LEU A 55 -10.307 -3.360 3.586 1.00 0.00 C ATOM 722 CD1 LEU A 55 -10.232 -4.511 2.572 1.00 0.00 C ATOM 723 CD2 LEU A 55 -9.136 -3.467 4.569 1.00 0.00 C ATOM 0 H LEU A 55 -10.599 0.098 1.571 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.088 -2.650 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.238 -1.884 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.355 -1.197 3.582 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.254 -3.428 4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.291 -5.464 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.062 -4.432 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.290 -4.455 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.183 -4.424 5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.195 -3.396 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.196 -2.657 5.296 1.00 0.00 H new ATOM 735 N PHE A 56 -13.348 -1.146 2.822 1.00 0.00 N ATOM 736 CA PHE A 56 -14.705 -1.329 3.411 1.00 0.00 C ATOM 737 C PHE A 56 -15.739 -1.328 2.282 1.00 0.00 C ATOM 738 O PHE A 56 -16.930 -1.308 2.517 1.00 0.00 O ATOM 739 CB PHE A 56 -15.004 -0.178 4.378 1.00 0.00 C ATOM 740 CG PHE A 56 -14.242 -0.385 5.666 1.00 0.00 C ATOM 741 CD1 PHE A 56 -12.888 -0.036 5.740 1.00 0.00 C ATOM 742 CD2 PHE A 56 -14.888 -0.925 6.785 1.00 0.00 C ATOM 743 CE1 PHE A 56 -12.181 -0.227 6.932 1.00 0.00 C ATOM 744 CE2 PHE A 56 -14.181 -1.116 7.977 1.00 0.00 C ATOM 745 CZ PHE A 56 -12.826 -0.767 8.051 1.00 0.00 C ATOM 0 H PHE A 56 -13.010 -0.184 2.803 1.00 0.00 H new ATOM 0 HA PHE A 56 -14.748 -2.274 3.953 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -14.721 0.773 3.926 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -16.074 -0.129 4.581 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -12.390 0.381 4.877 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -15.932 -1.194 6.728 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -11.137 0.042 6.989 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -14.679 -1.532 8.840 1.00 0.00 H new ATOM 0 HZ PHE A 56 -12.280 -0.915 8.971 1.00 0.00 H new ATOM 755 N SER A 57 -15.288 -1.343 1.056 1.00 0.00 N ATOM 756 CA SER A 57 -16.240 -1.338 -0.089 1.00 0.00 C ATOM 757 C SER A 57 -17.217 -0.173 0.067 1.00 0.00 C ATOM 758 O SER A 57 -18.232 -0.107 -0.596 1.00 0.00 O ATOM 759 CB SER A 57 -17.016 -2.655 -0.114 1.00 0.00 C ATOM 760 OG SER A 57 -16.108 -3.738 0.033 1.00 0.00 O ATOM 0 H SER A 57 -14.301 -1.358 0.799 1.00 0.00 H new ATOM 0 HA SER A 57 -15.686 -1.226 -1.021 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.753 -2.672 0.689 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.564 -2.750 -1.051 1.00 0.00 H new ATOM 0 HG SER A 57 -16.603 -4.584 0.019 1.00 0.00 H new ATOM 766 N GLY A 58 -16.916 0.751 0.938 1.00 0.00 N ATOM 767 CA GLY A 58 -17.827 1.913 1.136 1.00 0.00 C ATOM 768 C GLY A 58 -17.850 2.770 -0.130 1.00 0.00 C ATOM 769 O GLY A 58 -17.065 3.684 -0.289 1.00 0.00 O ATOM 0 H GLY A 58 -16.079 0.751 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -18.833 1.564 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -17.492 2.509 1.985 1.00 0.00 H new ATOM 773 N HIS A 59 -18.745 2.484 -1.035 1.00 0.00 N ATOM 774 CA HIS A 59 -18.819 3.283 -2.290 1.00 0.00 C ATOM 775 C HIS A 59 -17.449 3.286 -2.974 1.00 0.00 C ATOM 776 O HIS A 59 -16.580 4.068 -2.644 1.00 0.00 O ATOM 777 CB HIS A 59 -19.229 4.720 -1.953 1.00 0.00 C ATOM 778 CG HIS A 59 -20.346 4.699 -0.947 1.00 0.00 C ATOM 779 ND1 HIS A 59 -20.685 5.814 -0.195 1.00 0.00 N ATOM 780 CD2 HIS A 59 -21.207 3.706 -0.554 1.00 0.00 C ATOM 781 CE1 HIS A 59 -21.709 5.467 0.605 1.00 0.00 C ATOM 782 NE2 HIS A 59 -22.067 4.193 0.427 1.00 0.00 N ATOM 0 H HIS A 59 -19.429 1.731 -0.959 1.00 0.00 H new ATOM 0 HA HIS A 59 -19.557 2.843 -2.961 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -18.376 5.269 -1.554 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.548 5.240 -2.856 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -21.216 2.700 -0.946 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -22.184 6.137 1.306 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -22.811 3.686 0.907 1.00 0.00 H new TER 790 HIS A 59