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 Single : A 15 ASN : amide:sc= -1.98 K(o=-2,f=-0.051) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.67 K(o=-2.7,f=-0.61) USER MOD Single : A 21 ASN : amide:sc= -0.0403 K(o=-0.04,f=-2.1!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.127 USER MOD Single : A 25 CYS SG : rot 12:sc= 0.449 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.232 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.521 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 89:sc= 0.0163 USER MOD Single : A 50 GLN : amide:sc= -3.82! C(o=-3.8!,f=-2!) USER MOD Single : A 52 ASN : amide:sc= -0.045 X(o=-0.045,f=-0.47) USER MOD Single : A 57 SER OG : rot -60:sc= 1.14 USER MOD Single : A 59 HIS : no HD1:sc= -0.747 K(o=-0.75,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 5.434 1.639 11.089 1.00 0.00 N ATOM 2 CA ASP A 11 5.467 3.118 10.919 1.00 0.00 C ATOM 3 C ASP A 11 4.675 3.504 9.667 1.00 0.00 C ATOM 4 O ASP A 11 4.013 4.522 9.630 1.00 0.00 O ATOM 5 CB ASP A 11 6.919 3.578 10.771 1.00 0.00 C ATOM 6 CG ASP A 11 7.557 2.881 9.568 1.00 0.00 C ATOM 7 OD1 ASP A 11 7.635 1.663 9.587 1.00 0.00 O ATOM 8 OD2 ASP A 11 7.958 3.575 8.648 1.00 0.00 O ATOM 0 HA ASP A 11 5.021 3.598 11.790 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.957 4.659 10.640 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.479 3.347 11.677 1.00 0.00 H new ATOM 13 N LEU A 12 4.736 2.697 8.644 1.00 0.00 N ATOM 14 CA LEU A 12 3.990 3.008 7.397 1.00 0.00 C ATOM 15 C LEU A 12 2.531 2.556 7.569 1.00 0.00 C ATOM 16 O LEU A 12 2.259 1.621 8.295 1.00 0.00 O ATOM 17 CB LEU A 12 4.623 2.235 6.234 1.00 0.00 C ATOM 18 CG LEU A 12 6.143 2.432 6.233 1.00 0.00 C ATOM 19 CD1 LEU A 12 6.759 1.537 5.157 1.00 0.00 C ATOM 20 CD2 LEU A 12 6.479 3.896 5.923 1.00 0.00 C ATOM 0 H LEU A 12 5.274 1.831 8.620 1.00 0.00 H new ATOM 0 HA LEU A 12 4.026 4.078 7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.386 1.175 6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.204 2.579 5.288 1.00 0.00 H new ATOM 0 HG LEU A 12 6.543 2.171 7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.841 1.670 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.523 0.495 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.353 1.807 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.561 4.029 5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.082 4.161 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.034 4.540 6.681 1.00 0.00 H new ATOM 32 N PRO A 13 1.592 3.199 6.913 1.00 0.00 N ATOM 33 CA PRO A 13 0.158 2.816 7.018 1.00 0.00 C ATOM 34 C PRO A 13 -0.014 1.287 7.025 1.00 0.00 C ATOM 35 O PRO A 13 0.837 0.567 6.543 1.00 0.00 O ATOM 36 CB PRO A 13 -0.472 3.430 5.758 1.00 0.00 C ATOM 37 CG PRO A 13 0.394 4.606 5.405 1.00 0.00 C ATOM 38 CD PRO A 13 1.786 4.351 6.012 1.00 0.00 C ATOM 0 HA PRO A 13 -0.303 3.167 7.941 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.502 2.707 4.943 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.499 3.742 5.946 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.462 4.722 4.323 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.033 5.529 5.798 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.522 4.130 5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.148 5.224 6.556 1.00 0.00 H new ATOM 46 N PRO A 14 -1.101 0.792 7.558 1.00 0.00 N ATOM 47 CA PRO A 14 -1.358 -0.677 7.607 1.00 0.00 C ATOM 48 C PRO A 14 -1.466 -1.274 6.196 1.00 0.00 C ATOM 49 O PRO A 14 -1.604 -0.560 5.222 1.00 0.00 O ATOM 50 CB PRO A 14 -2.685 -0.803 8.378 1.00 0.00 C ATOM 51 CG PRO A 14 -3.336 0.536 8.251 1.00 0.00 C ATOM 52 CD PRO A 14 -2.201 1.556 8.170 1.00 0.00 C ATOM 0 HA PRO A 14 -0.548 -1.225 8.088 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.313 -1.588 7.957 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.511 -1.060 9.423 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.964 0.581 7.361 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.981 0.738 9.106 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.478 2.418 7.563 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.929 1.934 9.156 1.00 0.00 H new ATOM 60 N ASN A 15 -1.394 -2.572 6.078 1.00 0.00 N ATOM 61 CA ASN A 15 -1.483 -3.201 4.728 1.00 0.00 C ATOM 62 C ASN A 15 -0.485 -2.525 3.785 1.00 0.00 C ATOM 63 O ASN A 15 -0.705 -2.438 2.593 1.00 0.00 O ATOM 64 CB ASN A 15 -2.898 -3.029 4.173 1.00 0.00 C ATOM 65 CG ASN A 15 -3.876 -3.865 5.000 1.00 0.00 C ATOM 66 OD1 ASN A 15 -4.444 -4.818 4.507 1.00 0.00 O ATOM 67 ND2 ASN A 15 -4.096 -3.547 6.246 1.00 0.00 N ATOM 0 H ASN A 15 -1.278 -3.223 6.855 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.251 -4.263 4.809 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.186 -1.978 4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.931 -3.339 3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.745 -4.099 6.806 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.619 -2.746 6.660 1.00 0.00 H new ATOM 74 N LEU A 16 0.611 -2.042 4.312 1.00 0.00 N ATOM 75 CA LEU A 16 1.636 -1.362 3.461 1.00 0.00 C ATOM 76 C LEU A 16 3.026 -1.811 3.911 1.00 0.00 C ATOM 77 O LEU A 16 3.364 -1.738 5.077 1.00 0.00 O ATOM 78 CB LEU A 16 1.492 0.159 3.626 1.00 0.00 C ATOM 79 CG LEU A 16 2.056 0.902 2.401 1.00 0.00 C ATOM 80 CD1 LEU A 16 1.877 2.417 2.599 1.00 0.00 C ATOM 81 CD2 LEU A 16 3.550 0.577 2.215 1.00 0.00 C ATOM 0 H LEU A 16 0.842 -2.090 5.304 1.00 0.00 H new ATOM 0 HA LEU A 16 1.495 -1.623 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.441 0.416 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.016 0.482 4.525 1.00 0.00 H new ATOM 0 HG LEU A 16 1.516 0.579 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.275 2.947 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.817 2.647 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.412 2.733 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.933 1.110 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.103 0.886 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.673 -0.496 2.066 1.00 0.00 H new ATOM 93 N TYR A 17 3.832 -2.277 2.992 1.00 0.00 N ATOM 94 CA TYR A 17 5.212 -2.740 3.339 1.00 0.00 C ATOM 95 C TYR A 17 6.228 -1.984 2.492 1.00 0.00 C ATOM 96 O TYR A 17 5.879 -1.145 1.686 1.00 0.00 O ATOM 97 CB TYR A 17 5.330 -4.232 3.035 1.00 0.00 C ATOM 98 CG TYR A 17 4.327 -4.985 3.863 1.00 0.00 C ATOM 99 CD1 TYR A 17 4.662 -5.388 5.156 1.00 0.00 C ATOM 100 CD2 TYR A 17 3.062 -5.273 3.340 1.00 0.00 C ATOM 101 CE1 TYR A 17 3.729 -6.084 5.935 1.00 0.00 C ATOM 102 CE2 TYR A 17 2.127 -5.967 4.115 1.00 0.00 C ATOM 103 CZ TYR A 17 2.460 -6.374 5.414 1.00 0.00 C ATOM 104 OH TYR A 17 1.540 -7.058 6.180 1.00 0.00 O ATOM 0 H TYR A 17 3.591 -2.358 2.004 1.00 0.00 H new ATOM 0 HA TYR A 17 5.403 -2.556 4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.155 -4.414 1.975 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.338 -4.582 3.256 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.640 -5.164 5.556 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.807 -4.960 2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.987 -6.397 6.936 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.150 -6.189 3.713 1.00 0.00 H new ATOM 0 HH TYR A 17 0.712 -7.175 5.669 1.00 0.00 H new ATOM 114 N ILE A 18 7.488 -2.288 2.661 1.00 0.00 N ATOM 115 CA ILE A 18 8.546 -1.601 1.853 1.00 0.00 C ATOM 116 C ILE A 18 9.615 -2.618 1.451 1.00 0.00 C ATOM 117 O ILE A 18 9.859 -3.587 2.143 1.00 0.00 O ATOM 118 CB ILE A 18 9.171 -0.453 2.671 1.00 0.00 C ATOM 119 CG1 ILE A 18 9.889 0.518 1.725 1.00 0.00 C ATOM 120 CG2 ILE A 18 10.178 -1.004 3.687 1.00 0.00 C ATOM 121 CD1 ILE A 18 10.346 1.747 2.509 1.00 0.00 C ATOM 0 H ILE A 18 7.833 -2.983 3.323 1.00 0.00 H new ATOM 0 HA ILE A 18 8.102 -1.178 0.952 1.00 0.00 H new ATOM 0 HB ILE A 18 8.376 0.067 3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.747 0.027 1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.221 0.816 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.609 -0.180 4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.671 -1.688 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.971 -1.536 3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.856 2.438 1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.479 2.241 2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.029 1.440 3.301 1.00 0.00 H new ATOM 133 N ARG A 19 10.253 -2.409 0.334 1.00 0.00 N ATOM 134 CA ARG A 19 11.306 -3.367 -0.120 1.00 0.00 C ATOM 135 C ARG A 19 12.672 -2.914 0.402 1.00 0.00 C ATOM 136 O ARG A 19 12.902 -1.744 0.629 1.00 0.00 O ATOM 137 CB ARG A 19 11.331 -3.408 -1.651 1.00 0.00 C ATOM 138 CG ARG A 19 12.173 -4.599 -2.117 1.00 0.00 C ATOM 139 CD ARG A 19 12.037 -4.756 -3.632 1.00 0.00 C ATOM 140 NE ARG A 19 12.398 -3.476 -4.300 1.00 0.00 N ATOM 141 CZ ARG A 19 12.667 -3.458 -5.577 1.00 0.00 C ATOM 142 NH1 ARG A 19 12.609 -4.563 -6.269 1.00 0.00 N ATOM 143 NH2 ARG A 19 12.993 -2.338 -6.161 1.00 0.00 N ATOM 0 H ARG A 19 10.093 -1.616 -0.287 1.00 0.00 H new ATOM 0 HA ARG A 19 11.083 -4.361 0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.316 -3.492 -2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.746 -2.480 -2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.218 -4.446 -1.849 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.845 -5.509 -1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.686 -5.558 -3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.015 -5.037 -3.889 1.00 0.00 H new ATOM 0 HE ARG A 19 12.435 -2.612 -3.759 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.354 -5.438 -5.812 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.819 -4.551 -7.267 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.038 -1.475 -5.620 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.203 -2.326 -7.159 1.00 0.00 H new ATOM 157 N ASN A 20 13.579 -3.834 0.594 1.00 0.00 N ATOM 158 CA ASN A 20 14.927 -3.454 1.103 1.00 0.00 C ATOM 159 C ASN A 20 15.574 -2.462 0.138 1.00 0.00 C ATOM 160 O ASN A 20 16.534 -1.794 0.470 1.00 0.00 O ATOM 161 CB ASN A 20 15.801 -4.704 1.216 1.00 0.00 C ATOM 162 CG ASN A 20 17.172 -4.319 1.774 1.00 0.00 C ATOM 163 OD1 ASN A 20 18.139 -5.031 1.591 1.00 0.00 O ATOM 164 ND2 ASN A 20 17.297 -3.212 2.455 1.00 0.00 N ATOM 0 H ASN A 20 13.445 -4.830 0.421 1.00 0.00 H new ATOM 0 HA ASN A 20 14.828 -2.992 2.085 1.00 0.00 H new ATOM 0 HB2 ASN A 20 15.324 -5.436 1.867 1.00 0.00 H new ATOM 0 HB3 ASN A 20 15.913 -5.172 0.238 1.00 0.00 H new ATOM 0 HD21 ASN A 20 18.206 -2.946 2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 20 16.485 -2.614 2.609 1.00 0.00 H new ATOM 171 N ASN A 21 15.053 -2.353 -1.055 1.00 0.00 N ATOM 172 CA ASN A 21 15.630 -1.398 -2.041 1.00 0.00 C ATOM 173 C ASN A 21 14.961 -0.035 -1.851 1.00 0.00 C ATOM 174 O ASN A 21 15.289 0.930 -2.513 1.00 0.00 O ATOM 175 CB ASN A 21 15.355 -1.910 -3.457 1.00 0.00 C ATOM 176 CG ASN A 21 16.303 -3.068 -3.777 1.00 0.00 C ATOM 177 OD1 ASN A 21 16.657 -3.837 -2.907 1.00 0.00 O ATOM 178 ND2 ASN A 21 16.729 -3.227 -5.000 1.00 0.00 N ATOM 0 H ASN A 21 14.250 -2.887 -1.389 1.00 0.00 H new ATOM 0 HA ASN A 21 16.706 -1.307 -1.892 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.320 -2.241 -3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.492 -1.105 -4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 21 17.359 -3.997 -5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.432 -2.581 -5.732 1.00 0.00 H new ATOM 185 N GLY A 22 14.029 0.046 -0.938 1.00 0.00 N ATOM 186 CA GLY A 22 13.331 1.339 -0.681 1.00 0.00 C ATOM 187 C GLY A 22 12.097 1.450 -1.579 1.00 0.00 C ATOM 188 O GLY A 22 11.471 2.489 -1.660 1.00 0.00 O ATOM 0 H GLY A 22 13.720 -0.733 -0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.036 1.402 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.007 2.172 -0.872 1.00 0.00 H new ATOM 192 N TYR A 23 11.735 0.390 -2.250 1.00 0.00 N ATOM 193 CA TYR A 23 10.535 0.441 -3.134 1.00 0.00 C ATOM 194 C TYR A 23 9.294 0.170 -2.274 1.00 0.00 C ATOM 195 O TYR A 23 9.245 -0.783 -1.524 1.00 0.00 O ATOM 196 CB TYR A 23 10.680 -0.635 -4.242 1.00 0.00 C ATOM 197 CG TYR A 23 10.573 -0.007 -5.618 1.00 0.00 C ATOM 198 CD1 TYR A 23 11.641 0.740 -6.125 1.00 0.00 C ATOM 199 CD2 TYR A 23 9.410 -0.175 -6.381 1.00 0.00 C ATOM 200 CE1 TYR A 23 11.549 1.320 -7.396 1.00 0.00 C ATOM 201 CE2 TYR A 23 9.318 0.406 -7.652 1.00 0.00 C ATOM 202 CZ TYR A 23 10.387 1.154 -8.159 1.00 0.00 C ATOM 203 OH TYR A 23 10.297 1.725 -9.413 1.00 0.00 O ATOM 0 H TYR A 23 12.218 -0.508 -2.224 1.00 0.00 H new ATOM 0 HA TYR A 23 10.439 1.418 -3.608 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.641 -1.140 -4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.907 -1.394 -4.122 1.00 0.00 H new ATOM 0 HD1 TYR A 23 12.537 0.870 -5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.585 -0.752 -5.989 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.375 1.896 -7.788 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.422 0.277 -8.241 1.00 0.00 H new ATOM 0 HH TYR A 23 9.426 1.512 -9.808 1.00 0.00 H new ATOM 213 N TYR A 24 8.302 1.007 -2.367 1.00 0.00 N ATOM 214 CA TYR A 24 7.080 0.804 -1.540 1.00 0.00 C ATOM 215 C TYR A 24 6.167 -0.233 -2.201 1.00 0.00 C ATOM 216 O TYR A 24 6.170 -0.400 -3.405 1.00 0.00 O ATOM 217 CB TYR A 24 6.339 2.133 -1.429 1.00 0.00 C ATOM 218 CG TYR A 24 7.072 3.034 -0.465 1.00 0.00 C ATOM 219 CD1 TYR A 24 6.988 2.793 0.909 1.00 0.00 C ATOM 220 CD2 TYR A 24 7.838 4.104 -0.945 1.00 0.00 C ATOM 221 CE1 TYR A 24 7.670 3.622 1.808 1.00 0.00 C ATOM 222 CE2 TYR A 24 8.521 4.933 -0.048 1.00 0.00 C ATOM 223 CZ TYR A 24 8.436 4.692 1.328 1.00 0.00 C ATOM 224 OH TYR A 24 9.110 5.509 2.215 1.00 0.00 O ATOM 0 H TYR A 24 8.283 1.823 -2.979 1.00 0.00 H new ATOM 0 HA TYR A 24 7.363 0.446 -0.550 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.271 2.607 -2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.319 1.966 -1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.397 1.967 1.277 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.901 4.289 -2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.606 3.437 2.870 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.113 5.758 -0.417 1.00 0.00 H new ATOM 0 HH TYR A 24 9.594 6.202 1.719 1.00 0.00 H new ATOM 234 N CYS A 25 5.385 -0.930 -1.418 1.00 0.00 N ATOM 235 CA CYS A 25 4.466 -1.958 -1.990 1.00 0.00 C ATOM 236 C CYS A 25 3.243 -2.116 -1.081 1.00 0.00 C ATOM 237 O CYS A 25 3.361 -2.174 0.128 1.00 0.00 O ATOM 238 CB CYS A 25 5.199 -3.297 -2.088 1.00 0.00 C ATOM 239 SG CYS A 25 6.450 -3.204 -3.392 1.00 0.00 S ATOM 0 H CYS A 25 5.343 -0.831 -0.404 1.00 0.00 H new ATOM 0 HA CYS A 25 4.144 -1.643 -2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.669 -3.537 -1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.491 -4.097 -2.305 1.00 0.00 H new ATOM 0 HG CYS A 25 6.608 -1.965 -3.754 1.00 0.00 H new ATOM 245 N TYR A 26 2.069 -2.192 -1.656 1.00 0.00 N ATOM 246 CA TYR A 26 0.823 -2.353 -0.840 1.00 0.00 C ATOM 247 C TYR A 26 0.332 -3.790 -0.959 1.00 0.00 C ATOM 248 O TYR A 26 0.330 -4.360 -2.030 1.00 0.00 O ATOM 249 CB TYR A 26 -0.259 -1.421 -1.376 1.00 0.00 C ATOM 250 CG TYR A 26 -1.494 -1.521 -0.516 1.00 0.00 C ATOM 251 CD1 TYR A 26 -1.559 -0.812 0.688 1.00 0.00 C ATOM 252 CD2 TYR A 26 -2.576 -2.311 -0.924 1.00 0.00 C ATOM 253 CE1 TYR A 26 -2.707 -0.892 1.485 1.00 0.00 C ATOM 254 CE2 TYR A 26 -3.723 -2.390 -0.126 1.00 0.00 C ATOM 255 CZ TYR A 26 -3.789 -1.680 1.078 1.00 0.00 C ATOM 256 OH TYR A 26 -4.919 -1.759 1.864 1.00 0.00 O ATOM 0 H TYR A 26 1.918 -2.149 -2.664 1.00 0.00 H new ATOM 0 HA TYR A 26 1.037 -2.113 0.201 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.106 -0.394 -1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.500 -1.684 -2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.724 -0.203 1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.525 -2.859 -1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.757 -0.345 2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.558 -2.999 -0.440 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.575 -2.347 1.435 1.00 0.00 H new ATOM 266 N ARG A 27 -0.087 -4.384 0.131 1.00 0.00 N ATOM 267 CA ARG A 27 -0.582 -5.797 0.079 1.00 0.00 C ATOM 268 C ARG A 27 -2.113 -5.810 0.139 1.00 0.00 C ATOM 269 O ARG A 27 -2.711 -5.444 1.133 1.00 0.00 O ATOM 270 CB ARG A 27 0.003 -6.569 1.267 1.00 0.00 C ATOM 271 CG ARG A 27 -0.014 -8.073 0.974 1.00 0.00 C ATOM 272 CD ARG A 27 0.510 -8.844 2.187 1.00 0.00 C ATOM 273 NE ARG A 27 0.972 -10.190 1.747 1.00 0.00 N ATOM 274 CZ ARG A 27 1.712 -10.915 2.540 1.00 0.00 C ATOM 275 NH1 ARG A 27 2.060 -10.452 3.710 1.00 0.00 N ATOM 276 NH2 ARG A 27 2.109 -12.100 2.163 1.00 0.00 N ATOM 0 H ARG A 27 -0.108 -3.953 1.055 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.267 -6.269 -0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.024 -6.239 1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.574 -6.359 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.028 -8.395 0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.601 -8.290 0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.331 -8.299 2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.274 -8.942 2.937 1.00 0.00 H new ATOM 0 HE ARG A 27 0.710 -10.544 0.827 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.753 -9.524 4.003 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.639 -11.018 4.331 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.841 -12.460 1.247 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.688 -12.666 2.784 1.00 0.00 H new ATOM 290 N ASP A 28 -2.753 -6.216 -0.928 1.00 0.00 N ATOM 291 CA ASP A 28 -4.249 -6.237 -0.945 1.00 0.00 C ATOM 292 C ASP A 28 -4.780 -7.362 -0.033 1.00 0.00 C ATOM 293 O ASP A 28 -4.236 -8.448 -0.018 1.00 0.00 O ATOM 294 CB ASP A 28 -4.740 -6.486 -2.374 1.00 0.00 C ATOM 295 CG ASP A 28 -4.317 -5.322 -3.272 1.00 0.00 C ATOM 296 OD1 ASP A 28 -3.146 -4.980 -3.255 1.00 0.00 O ATOM 297 OD2 ASP A 28 -5.172 -4.793 -3.964 1.00 0.00 O ATOM 0 H ASP A 28 -2.306 -6.534 -1.788 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.616 -5.276 -0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.327 -7.420 -2.754 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.825 -6.590 -2.384 1.00 0.00 H new ATOM 302 N PRO A 29 -5.847 -7.124 0.716 1.00 0.00 N ATOM 303 CA PRO A 29 -6.445 -8.160 1.615 1.00 0.00 C ATOM 304 C PRO A 29 -7.400 -9.099 0.865 1.00 0.00 C ATOM 305 O PRO A 29 -8.007 -9.975 1.448 1.00 0.00 O ATOM 306 CB PRO A 29 -7.218 -7.319 2.628 1.00 0.00 C ATOM 307 CG PRO A 29 -7.713 -6.160 1.828 1.00 0.00 C ATOM 308 CD PRO A 29 -6.606 -5.854 0.809 1.00 0.00 C ATOM 0 HA PRO A 29 -5.691 -8.813 2.055 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -8.041 -7.881 3.069 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.578 -6.994 3.449 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.650 -6.402 1.327 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.906 -5.298 2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.021 -5.565 -0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.972 -5.033 1.143 1.00 0.00 H new ATOM 316 N ARG A 30 -7.552 -8.913 -0.419 1.00 0.00 N ATOM 317 CA ARG A 30 -8.482 -9.783 -1.197 1.00 0.00 C ATOM 318 C ARG A 30 -7.749 -11.042 -1.663 1.00 0.00 C ATOM 319 O ARG A 30 -8.311 -12.119 -1.692 1.00 0.00 O ATOM 320 CB ARG A 30 -8.987 -9.012 -2.416 1.00 0.00 C ATOM 321 CG ARG A 30 -10.173 -9.752 -3.036 1.00 0.00 C ATOM 322 CD ARG A 30 -10.546 -9.086 -4.362 1.00 0.00 C ATOM 323 NE ARG A 30 -10.760 -7.627 -4.143 1.00 0.00 N ATOM 324 CZ ARG A 30 -10.766 -6.809 -5.161 1.00 0.00 C ATOM 325 NH1 ARG A 30 -10.572 -7.267 -6.367 1.00 0.00 N ATOM 326 NH2 ARG A 30 -10.964 -5.533 -4.971 1.00 0.00 N ATOM 0 H ARG A 30 -7.072 -8.196 -0.963 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.322 -10.071 -0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.286 -8.005 -2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.187 -8.907 -3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.918 -10.799 -3.201 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.024 -9.735 -2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.754 -9.242 -5.095 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.450 -9.540 -4.768 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.902 -7.268 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.416 -8.264 -6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.577 -6.628 -7.162 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.114 -5.175 -4.028 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.969 -4.894 -5.766 1.00 0.00 H new ATOM 340 N THR A 31 -6.497 -10.914 -2.024 1.00 0.00 N ATOM 341 CA THR A 31 -5.707 -12.099 -2.490 1.00 0.00 C ATOM 342 C THR A 31 -4.414 -12.188 -1.680 1.00 0.00 C ATOM 343 O THR A 31 -3.824 -13.242 -1.546 1.00 0.00 O ATOM 344 CB THR A 31 -5.376 -11.936 -3.978 1.00 0.00 C ATOM 345 OG1 THR A 31 -4.238 -12.724 -4.295 1.00 0.00 O ATOM 346 CG2 THR A 31 -5.088 -10.464 -4.292 1.00 0.00 C ATOM 0 H THR A 31 -5.983 -10.033 -2.016 1.00 0.00 H new ATOM 0 HA THR A 31 -6.288 -13.010 -2.349 1.00 0.00 H new ATOM 0 HB THR A 31 -6.227 -12.265 -4.575 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.025 -12.623 -5.246 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.854 -10.357 -5.351 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.965 -9.862 -4.052 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.240 -10.124 -3.697 1.00 0.00 H new ATOM 354 N GLY A 32 -3.976 -11.090 -1.120 1.00 0.00 N ATOM 355 CA GLY A 32 -2.730 -11.105 -0.297 1.00 0.00 C ATOM 356 C GLY A 32 -1.508 -10.803 -1.170 1.00 0.00 C ATOM 357 O GLY A 32 -0.389 -10.806 -0.697 1.00 0.00 O ATOM 0 H GLY A 32 -4.430 -10.180 -1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.805 -10.367 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.613 -12.079 0.179 1.00 0.00 H new ATOM 361 N LYS A 33 -1.700 -10.544 -2.436 1.00 0.00 N ATOM 362 CA LYS A 33 -0.526 -10.247 -3.306 1.00 0.00 C ATOM 363 C LYS A 33 -0.014 -8.845 -3.018 1.00 0.00 C ATOM 364 O LYS A 33 -0.342 -8.252 -2.014 1.00 0.00 O ATOM 365 CB LYS A 33 -0.914 -10.349 -4.784 1.00 0.00 C ATOM 366 CG LYS A 33 -1.184 -11.806 -5.163 1.00 0.00 C ATOM 367 CD LYS A 33 0.087 -12.666 -4.990 1.00 0.00 C ATOM 368 CE LYS A 33 0.051 -13.854 -5.959 1.00 0.00 C ATOM 369 NZ LYS A 33 1.252 -14.712 -5.742 1.00 0.00 N ATOM 0 H LYS A 33 -2.608 -10.525 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 33 0.256 -10.976 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.801 -9.746 -4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.114 -9.947 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.985 -12.205 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.526 -11.860 -6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.974 -12.061 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.156 -13.025 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.857 -14.436 -5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.028 -13.496 -6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.227 -15.517 -6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.113 -14.154 -5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.255 -15.064 -4.763 1.00 0.00 H new ATOM 383 N GLU A 34 0.808 -8.321 -3.894 1.00 0.00 N ATOM 384 CA GLU A 34 1.386 -6.953 -3.676 1.00 0.00 C ATOM 385 C GLU A 34 1.197 -6.077 -4.916 1.00 0.00 C ATOM 386 O GLU A 34 0.781 -6.532 -5.963 1.00 0.00 O ATOM 387 CB GLU A 34 2.884 -7.085 -3.389 1.00 0.00 C ATOM 388 CG GLU A 34 3.095 -7.802 -2.053 1.00 0.00 C ATOM 389 CD GLU A 34 2.813 -6.836 -0.899 1.00 0.00 C ATOM 390 OE1 GLU A 34 2.427 -5.713 -1.175 1.00 0.00 O ATOM 391 OE2 GLU A 34 2.989 -7.237 0.240 1.00 0.00 O ATOM 0 H GLU A 34 1.106 -8.781 -4.754 1.00 0.00 H new ATOM 0 HA GLU A 34 0.872 -6.488 -2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.370 -7.641 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.346 -6.098 -3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.435 -8.667 -1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.117 -8.175 -1.987 1.00 0.00 H new ATOM 398 N PHE A 35 1.512 -4.813 -4.790 1.00 0.00 N ATOM 399 CA PHE A 35 1.373 -3.861 -5.935 1.00 0.00 C ATOM 400 C PHE A 35 2.582 -2.916 -5.945 1.00 0.00 C ATOM 401 O PHE A 35 2.871 -2.253 -4.969 1.00 0.00 O ATOM 402 CB PHE A 35 0.080 -3.043 -5.760 1.00 0.00 C ATOM 403 CG PHE A 35 -1.087 -3.792 -6.363 1.00 0.00 C ATOM 404 CD1 PHE A 35 -1.653 -4.872 -5.680 1.00 0.00 C ATOM 405 CD2 PHE A 35 -1.597 -3.402 -7.607 1.00 0.00 C ATOM 406 CE1 PHE A 35 -2.732 -5.565 -6.239 1.00 0.00 C ATOM 407 CE2 PHE A 35 -2.676 -4.095 -8.168 1.00 0.00 C ATOM 408 CZ PHE A 35 -3.244 -5.177 -7.484 1.00 0.00 C ATOM 0 H PHE A 35 1.865 -4.394 -3.930 1.00 0.00 H new ATOM 0 HA PHE A 35 1.329 -4.411 -6.875 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.103 -2.858 -4.702 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.187 -2.070 -6.240 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.257 -5.172 -4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.158 -2.567 -8.133 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.170 -6.399 -5.711 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.070 -3.795 -9.128 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.077 -5.712 -7.916 1.00 0.00 H new ATOM 418 N GLY A 36 3.286 -2.847 -7.041 1.00 0.00 N ATOM 419 CA GLY A 36 4.470 -1.943 -7.109 1.00 0.00 C ATOM 420 C GLY A 36 3.999 -0.491 -7.220 1.00 0.00 C ATOM 421 O GLY A 36 3.323 -0.121 -8.160 1.00 0.00 O ATOM 0 H GLY A 36 3.094 -3.376 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.088 -2.069 -6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.090 -2.202 -7.968 1.00 0.00 H new ATOM 425 N LEU A 37 4.352 0.338 -6.265 1.00 0.00 N ATOM 426 CA LEU A 37 3.929 1.776 -6.310 1.00 0.00 C ATOM 427 C LEU A 37 5.121 2.633 -6.738 1.00 0.00 C ATOM 428 O LEU A 37 5.037 3.425 -7.656 1.00 0.00 O ATOM 429 CB LEU A 37 3.464 2.226 -4.914 1.00 0.00 C ATOM 430 CG LEU A 37 2.692 1.101 -4.227 1.00 0.00 C ATOM 431 CD1 LEU A 37 2.200 1.589 -2.863 1.00 0.00 C ATOM 432 CD2 LEU A 37 1.490 0.692 -5.090 1.00 0.00 C ATOM 0 H LEU A 37 4.916 0.080 -5.455 1.00 0.00 H new ATOM 0 HA LEU A 37 3.109 1.890 -7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.326 2.508 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.832 3.110 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 37 3.346 0.239 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.648 0.790 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.054 1.874 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.547 2.451 -2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.943 -0.111 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.831 1.550 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.841 0.346 -6.062 1.00 0.00 H new ATOM 444 N GLY A 38 6.231 2.479 -6.069 1.00 0.00 N ATOM 445 CA GLY A 38 7.443 3.279 -6.412 1.00 0.00 C ATOM 446 C GLY A 38 8.200 3.612 -5.127 1.00 0.00 C ATOM 447 O GLY A 38 7.915 3.083 -4.071 1.00 0.00 O ATOM 0 H GLY A 38 6.352 1.828 -5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.084 2.718 -7.092 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.156 4.195 -6.928 1.00 0.00 H new ATOM 451 N ARG A 39 9.165 4.488 -5.208 1.00 0.00 N ATOM 452 CA ARG A 39 9.953 4.867 -3.997 1.00 0.00 C ATOM 453 C ARG A 39 9.391 6.164 -3.415 1.00 0.00 C ATOM 454 O ARG A 39 9.997 6.793 -2.569 1.00 0.00 O ATOM 455 CB ARG A 39 11.405 5.101 -4.401 1.00 0.00 C ATOM 456 CG ARG A 39 11.977 3.846 -5.074 1.00 0.00 C ATOM 457 CD ARG A 39 13.214 4.217 -5.899 1.00 0.00 C ATOM 458 NE ARG A 39 14.039 5.206 -5.149 1.00 0.00 N ATOM 459 CZ ARG A 39 15.269 5.438 -5.518 1.00 0.00 C ATOM 460 NH1 ARG A 39 15.777 4.799 -6.536 1.00 0.00 N ATOM 461 NH2 ARG A 39 15.992 6.311 -4.871 1.00 0.00 N ATOM 0 H ARG A 39 9.444 4.961 -6.067 1.00 0.00 H new ATOM 0 HA ARG A 39 9.892 4.070 -3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.468 5.949 -5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.998 5.354 -3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.241 3.106 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.223 3.391 -5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.803 3.324 -6.111 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.911 4.635 -6.859 1.00 0.00 H new ATOM 0 HE ARG A 39 13.643 5.700 -4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.213 4.118 -7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.738 4.981 -6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.596 6.813 -4.076 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.953 6.492 -5.160 1.00 0.00 H new ATOM 475 N ASP A 40 8.243 6.576 -3.874 1.00 0.00 N ATOM 476 CA ASP A 40 7.636 7.846 -3.370 1.00 0.00 C ATOM 477 C ASP A 40 6.688 7.551 -2.204 1.00 0.00 C ATOM 478 O ASP A 40 5.599 7.047 -2.384 1.00 0.00 O ATOM 479 CB ASP A 40 6.844 8.510 -4.501 1.00 0.00 C ATOM 480 CG ASP A 40 7.812 9.118 -5.517 1.00 0.00 C ATOM 481 OD1 ASP A 40 8.590 8.371 -6.084 1.00 0.00 O ATOM 482 OD2 ASP A 40 7.756 10.321 -5.711 1.00 0.00 O ATOM 0 H ASP A 40 7.693 6.087 -4.581 1.00 0.00 H new ATOM 0 HA ASP A 40 8.431 8.509 -3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.203 7.776 -4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.192 9.284 -4.096 1.00 0.00 H new ATOM 487 N ARG A 41 7.100 7.879 -1.008 1.00 0.00 N ATOM 488 CA ARG A 41 6.240 7.642 0.189 1.00 0.00 C ATOM 489 C ARG A 41 4.978 8.507 0.082 1.00 0.00 C ATOM 490 O ARG A 41 3.982 8.261 0.733 1.00 0.00 O ATOM 491 CB ARG A 41 7.041 8.027 1.446 1.00 0.00 C ATOM 492 CG ARG A 41 6.501 7.279 2.669 1.00 0.00 C ATOM 493 CD ARG A 41 6.983 7.969 3.947 1.00 0.00 C ATOM 494 NE ARG A 41 6.407 7.279 5.135 1.00 0.00 N ATOM 495 CZ ARG A 41 6.926 7.476 6.315 1.00 0.00 C ATOM 496 NH1 ARG A 41 7.954 8.269 6.451 1.00 0.00 N ATOM 497 NH2 ARG A 41 6.420 6.878 7.358 1.00 0.00 N ATOM 0 H ARG A 41 8.005 8.305 -0.807 1.00 0.00 H new ATOM 0 HA ARG A 41 5.945 6.594 0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.095 7.789 1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.977 9.102 1.611 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.411 7.259 2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.840 6.243 2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.072 7.949 3.995 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.683 9.017 3.942 1.00 0.00 H new ATOM 0 HE ARG A 41 5.608 6.654 5.026 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.351 8.734 5.635 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.360 8.424 7.374 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.618 6.256 7.251 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.826 7.032 8.281 1.00 0.00 H new ATOM 511 N ARG A 42 5.020 9.514 -0.742 1.00 0.00 N ATOM 512 CA ARG A 42 3.838 10.402 -0.913 1.00 0.00 C ATOM 513 C ARG A 42 2.804 9.694 -1.785 1.00 0.00 C ATOM 514 O ARG A 42 1.641 9.609 -1.451 1.00 0.00 O ATOM 515 CB ARG A 42 4.270 11.713 -1.584 1.00 0.00 C ATOM 516 CG ARG A 42 5.623 12.159 -1.024 1.00 0.00 C ATOM 517 CD ARG A 42 5.547 12.266 0.502 1.00 0.00 C ATOM 518 NE ARG A 42 4.302 13.003 0.905 1.00 0.00 N ATOM 519 CZ ARG A 42 4.050 14.212 0.476 1.00 0.00 C ATOM 520 NH1 ARG A 42 4.956 14.886 -0.177 1.00 0.00 N ATOM 521 NH2 ARG A 42 2.902 14.768 0.751 1.00 0.00 N ATOM 0 H ARG A 42 5.830 9.763 -1.310 1.00 0.00 H new ATOM 0 HA ARG A 42 3.404 10.627 0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.340 11.574 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.521 12.486 -1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.397 11.446 -1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.903 13.122 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.549 11.270 0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.426 12.786 0.882 1.00 0.00 H new ATOM 0 HE ARG A 42 3.636 12.549 1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.870 14.470 -0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.750 15.829 -0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.207 14.260 1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.700 15.711 0.419 1.00 0.00 H new ATOM 535 N ILE A 43 3.230 9.193 -2.911 1.00 0.00 N ATOM 536 CA ILE A 43 2.284 8.500 -3.821 1.00 0.00 C ATOM 537 C ILE A 43 1.967 7.108 -3.276 1.00 0.00 C ATOM 538 O ILE A 43 0.864 6.623 -3.389 1.00 0.00 O ATOM 539 CB ILE A 43 2.911 8.377 -5.213 1.00 0.00 C ATOM 540 CG1 ILE A 43 3.071 9.772 -5.824 1.00 0.00 C ATOM 541 CG2 ILE A 43 2.008 7.530 -6.113 1.00 0.00 C ATOM 542 CD1 ILE A 43 3.988 9.694 -7.045 1.00 0.00 C ATOM 0 H ILE A 43 4.195 9.235 -3.238 1.00 0.00 H new ATOM 0 HA ILE A 43 1.361 9.076 -3.888 1.00 0.00 H new ATOM 0 HB ILE A 43 3.887 7.899 -5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.097 10.168 -6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.488 10.458 -5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.457 7.445 -7.102 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.892 6.536 -5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.031 8.005 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.101 10.687 -7.479 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.965 9.317 -6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.553 9.022 -7.785 1.00 0.00 H new ATOM 554 N ALA A 44 2.930 6.461 -2.689 1.00 0.00 N ATOM 555 CA ALA A 44 2.688 5.098 -2.143 1.00 0.00 C ATOM 556 C ALA A 44 1.658 5.167 -1.012 1.00 0.00 C ATOM 557 O ALA A 44 0.668 4.463 -1.018 1.00 0.00 O ATOM 558 CB ALA A 44 4.013 4.537 -1.623 1.00 0.00 C ATOM 0 H ALA A 44 3.877 6.817 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 44 2.297 4.446 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.851 3.537 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.732 4.486 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.400 5.187 -0.838 1.00 0.00 H new ATOM 564 N ILE A 45 1.876 6.010 -0.043 1.00 0.00 N ATOM 565 CA ILE A 45 0.902 6.120 1.080 1.00 0.00 C ATOM 566 C ILE A 45 -0.492 6.439 0.518 1.00 0.00 C ATOM 567 O ILE A 45 -1.492 5.938 0.990 1.00 0.00 O ATOM 568 CB ILE A 45 1.354 7.236 2.039 1.00 0.00 C ATOM 569 CG1 ILE A 45 2.558 6.747 2.853 1.00 0.00 C ATOM 570 CG2 ILE A 45 0.206 7.602 2.989 1.00 0.00 C ATOM 571 CD1 ILE A 45 3.128 7.899 3.690 1.00 0.00 C ATOM 0 H ILE A 45 2.685 6.628 0.021 1.00 0.00 H new ATOM 0 HA ILE A 45 0.858 5.177 1.625 1.00 0.00 H new ATOM 0 HB ILE A 45 1.635 8.117 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.258 5.927 3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.326 6.358 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.531 8.392 3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.649 7.950 2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.081 6.724 3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.983 7.543 4.265 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.446 8.706 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.361 8.268 4.371 1.00 0.00 H new ATOM 583 N THR A 46 -0.563 7.276 -0.480 1.00 0.00 N ATOM 584 CA THR A 46 -1.887 7.637 -1.068 1.00 0.00 C ATOM 585 C THR A 46 -2.641 6.362 -1.467 1.00 0.00 C ATOM 586 O THR A 46 -3.795 6.176 -1.131 1.00 0.00 O ATOM 587 CB THR A 46 -1.649 8.533 -2.302 1.00 0.00 C ATOM 588 OG1 THR A 46 -1.560 9.886 -1.881 1.00 0.00 O ATOM 589 CG2 THR A 46 -2.796 8.392 -3.316 1.00 0.00 C ATOM 0 H THR A 46 0.241 7.728 -0.916 1.00 0.00 H new ATOM 0 HA THR A 46 -2.490 8.177 -0.338 1.00 0.00 H new ATOM 0 HB THR A 46 -0.722 8.222 -2.785 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.629 10.101 -1.665 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.603 9.034 -4.175 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.865 7.355 -3.646 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.735 8.687 -2.847 1.00 0.00 H new ATOM 597 N GLU A 47 -2.001 5.503 -2.198 1.00 0.00 N ATOM 598 CA GLU A 47 -2.670 4.250 -2.652 1.00 0.00 C ATOM 599 C GLU A 47 -3.053 3.405 -1.441 1.00 0.00 C ATOM 600 O GLU A 47 -4.106 2.802 -1.395 1.00 0.00 O ATOM 601 CB GLU A 47 -1.703 3.463 -3.534 1.00 0.00 C ATOM 602 CG GLU A 47 -1.187 4.362 -4.653 1.00 0.00 C ATOM 603 CD GLU A 47 -2.314 4.644 -5.648 1.00 0.00 C ATOM 604 OE1 GLU A 47 -3.234 3.846 -5.714 1.00 0.00 O ATOM 605 OE2 GLU A 47 -2.239 5.656 -6.326 1.00 0.00 O ATOM 0 H GLU A 47 -1.035 5.611 -2.506 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.569 4.498 -3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.869 3.093 -2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.205 2.592 -3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.813 5.298 -4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.351 3.882 -5.162 1.00 0.00 H new ATOM 612 N ALA A 48 -2.202 3.356 -0.465 1.00 0.00 N ATOM 613 CA ALA A 48 -2.508 2.550 0.751 1.00 0.00 C ATOM 614 C ALA A 48 -3.758 3.107 1.449 1.00 0.00 C ATOM 615 O ALA A 48 -4.630 2.371 1.866 1.00 0.00 O ATOM 616 CB ALA A 48 -1.313 2.603 1.706 1.00 0.00 C ATOM 0 H ALA A 48 -1.304 3.839 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.698 1.516 0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.533 2.015 2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.432 2.195 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.122 3.637 1.992 1.00 0.00 H new ATOM 622 N ILE A 49 -3.840 4.402 1.592 1.00 0.00 N ATOM 623 CA ILE A 49 -5.020 5.016 2.278 1.00 0.00 C ATOM 624 C ILE A 49 -6.321 4.703 1.531 1.00 0.00 C ATOM 625 O ILE A 49 -7.242 4.144 2.092 1.00 0.00 O ATOM 626 CB ILE A 49 -4.834 6.531 2.359 1.00 0.00 C ATOM 627 CG1 ILE A 49 -3.632 6.833 3.249 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.086 7.179 2.962 1.00 0.00 C ATOM 629 CD1 ILE A 49 -3.269 8.314 3.131 1.00 0.00 C ATOM 0 H ILE A 49 -3.139 5.066 1.263 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.089 4.593 3.280 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.671 6.932 1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.862 6.586 4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.784 6.215 2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.946 8.259 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.949 6.956 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.254 6.784 3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.410 8.530 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.021 8.546 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.116 8.923 3.447 1.00 0.00 H new ATOM 641 N GLN A 50 -6.421 5.077 0.286 1.00 0.00 N ATOM 642 CA GLN A 50 -7.688 4.814 -0.455 1.00 0.00 C ATOM 643 C GLN A 50 -8.004 3.324 -0.393 1.00 0.00 C ATOM 644 O GLN A 50 -9.145 2.918 -0.485 1.00 0.00 O ATOM 645 CB GLN A 50 -7.562 5.276 -1.916 1.00 0.00 C ATOM 646 CG GLN A 50 -6.311 4.673 -2.574 1.00 0.00 C ATOM 647 CD GLN A 50 -6.629 3.282 -3.134 1.00 0.00 C ATOM 648 OE1 GLN A 50 -6.001 2.308 -2.768 1.00 0.00 O ATOM 649 NE2 GLN A 50 -7.582 3.150 -4.017 1.00 0.00 N ATOM 0 H GLN A 50 -5.690 5.548 -0.247 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.500 5.375 0.008 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.450 4.979 -2.474 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.510 6.364 -1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.962 5.325 -3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.504 4.604 -1.844 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.109 3.967 -4.324 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.799 2.230 -4.399 1.00 0.00 H new ATOM 658 N ALA A 51 -7.009 2.505 -0.202 1.00 0.00 N ATOM 659 CA ALA A 51 -7.270 1.047 -0.096 1.00 0.00 C ATOM 660 C ALA A 51 -8.036 0.789 1.202 1.00 0.00 C ATOM 661 O ALA A 51 -8.964 0.005 1.247 1.00 0.00 O ATOM 662 CB ALA A 51 -5.943 0.285 -0.073 1.00 0.00 C ATOM 0 H ALA A 51 -6.031 2.782 -0.115 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.855 0.707 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.139 -0.784 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.391 0.487 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.352 0.609 0.784 1.00 0.00 H new ATOM 668 N ASN A 52 -7.647 1.450 2.262 1.00 0.00 N ATOM 669 CA ASN A 52 -8.337 1.256 3.566 1.00 0.00 C ATOM 670 C ASN A 52 -9.739 1.871 3.518 1.00 0.00 C ATOM 671 O ASN A 52 -10.687 1.316 4.036 1.00 0.00 O ATOM 672 CB ASN A 52 -7.521 1.936 4.667 1.00 0.00 C ATOM 673 CG ASN A 52 -6.307 1.073 5.013 1.00 0.00 C ATOM 674 OD1 ASN A 52 -6.429 -0.120 5.205 1.00 0.00 O ATOM 675 ND2 ASN A 52 -5.132 1.632 5.101 1.00 0.00 N ATOM 0 H ASN A 52 -6.877 2.119 2.277 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.426 0.189 3.771 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.196 2.922 4.336 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.139 2.084 5.553 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.314 1.067 5.331 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.031 2.634 4.940 1.00 0.00 H new ATOM 682 N ILE A 53 -9.878 3.019 2.911 1.00 0.00 N ATOM 683 CA ILE A 53 -11.218 3.668 2.848 1.00 0.00 C ATOM 684 C ILE A 53 -12.144 2.827 1.970 1.00 0.00 C ATOM 685 O ILE A 53 -13.337 2.765 2.190 1.00 0.00 O ATOM 686 CB ILE A 53 -11.084 5.075 2.257 1.00 0.00 C ATOM 687 CG1 ILE A 53 -10.044 5.864 3.060 1.00 0.00 C ATOM 688 CG2 ILE A 53 -12.434 5.790 2.336 1.00 0.00 C ATOM 689 CD1 ILE A 53 -9.769 7.206 2.377 1.00 0.00 C ATOM 0 H ILE A 53 -9.123 3.534 2.457 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.635 3.742 3.853 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.768 5.006 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.404 6.030 4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.121 5.290 3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.340 6.791 1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -13.177 5.227 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -12.748 5.861 3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.029 7.762 2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.389 7.031 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.693 7.782 2.321 1.00 0.00 H new ATOM 701 N GLU A 54 -11.602 2.168 0.986 1.00 0.00 N ATOM 702 CA GLU A 54 -12.449 1.319 0.104 1.00 0.00 C ATOM 703 C GLU A 54 -12.883 0.076 0.885 1.00 0.00 C ATOM 704 O GLU A 54 -13.883 -0.542 0.581 1.00 0.00 O ATOM 705 CB GLU A 54 -11.638 0.893 -1.127 1.00 0.00 C ATOM 706 CG GLU A 54 -11.635 2.022 -2.162 1.00 0.00 C ATOM 707 CD GLU A 54 -10.821 1.590 -3.383 1.00 0.00 C ATOM 708 OE1 GLU A 54 -9.610 1.508 -3.264 1.00 0.00 O ATOM 709 OE2 GLU A 54 -11.423 1.347 -4.416 1.00 0.00 O ATOM 0 H GLU A 54 -10.609 2.180 0.754 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.326 1.879 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.616 0.652 -0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.067 -0.010 -1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.656 2.261 -2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.209 2.927 -1.728 1.00 0.00 H new ATOM 716 N LEU A 55 -12.128 -0.297 1.881 1.00 0.00 N ATOM 717 CA LEU A 55 -12.487 -1.505 2.675 1.00 0.00 C ATOM 718 C LEU A 55 -13.835 -1.273 3.373 1.00 0.00 C ATOM 719 O LEU A 55 -14.673 -2.151 3.432 1.00 0.00 O ATOM 720 CB LEU A 55 -11.379 -1.771 3.716 1.00 0.00 C ATOM 721 CG LEU A 55 -11.234 -3.281 3.997 1.00 0.00 C ATOM 722 CD1 LEU A 55 -12.596 -3.871 4.380 1.00 0.00 C ATOM 723 CD2 LEU A 55 -10.670 -4.018 2.759 1.00 0.00 C ATOM 0 H LEU A 55 -11.278 0.182 2.179 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.576 -2.372 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.431 -1.373 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.612 -1.246 4.642 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.536 -3.414 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.488 -4.938 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.970 -3.373 5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.300 -3.723 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.576 -5.081 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.346 -3.881 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.690 -3.612 2.509 1.00 0.00 H new ATOM 735 N PHE A 56 -14.047 -0.097 3.900 1.00 0.00 N ATOM 736 CA PHE A 56 -15.338 0.195 4.590 1.00 0.00 C ATOM 737 C PHE A 56 -16.389 0.597 3.550 1.00 0.00 C ATOM 738 O PHE A 56 -17.470 1.035 3.890 1.00 0.00 O ATOM 739 CB PHE A 56 -15.134 1.341 5.593 1.00 0.00 C ATOM 740 CG PHE A 56 -14.555 0.797 6.882 1.00 0.00 C ATOM 741 CD1 PHE A 56 -13.202 0.441 6.945 1.00 0.00 C ATOM 742 CD2 PHE A 56 -15.372 0.644 8.010 1.00 0.00 C ATOM 743 CE1 PHE A 56 -12.667 -0.067 8.134 1.00 0.00 C ATOM 744 CE2 PHE A 56 -14.836 0.136 9.199 1.00 0.00 C ATOM 745 CZ PHE A 56 -13.483 -0.219 9.261 1.00 0.00 C ATOM 0 H PHE A 56 -13.381 0.676 3.883 1.00 0.00 H new ATOM 0 HA PHE A 56 -15.679 -0.693 5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -14.465 2.091 5.171 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -16.084 1.837 5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -12.572 0.559 6.076 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -16.416 0.918 7.962 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -11.624 -0.342 8.182 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -15.466 0.018 10.068 1.00 0.00 H new ATOM 0 HZ PHE A 56 -13.069 -0.610 10.179 1.00 0.00 H new ATOM 755 N SER A 57 -16.081 0.449 2.287 1.00 0.00 N ATOM 756 CA SER A 57 -17.059 0.816 1.214 1.00 0.00 C ATOM 757 C SER A 57 -17.039 -0.260 0.128 1.00 0.00 C ATOM 758 O SER A 57 -17.362 -0.010 -1.016 1.00 0.00 O ATOM 759 CB SER A 57 -16.665 2.162 0.601 1.00 0.00 C ATOM 760 OG SER A 57 -17.435 2.384 -0.574 1.00 0.00 O ATOM 0 H SER A 57 -15.189 0.088 1.949 1.00 0.00 H new ATOM 0 HA SER A 57 -18.059 0.891 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.834 2.965 1.318 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.602 2.168 0.360 1.00 0.00 H new ATOM 0 HG SER A 57 -17.267 1.663 -1.216 1.00 0.00 H new ATOM 766 N GLY A 58 -16.660 -1.459 0.478 1.00 0.00 N ATOM 767 CA GLY A 58 -16.616 -2.553 -0.532 1.00 0.00 C ATOM 768 C GLY A 58 -18.026 -2.821 -1.060 1.00 0.00 C ATOM 769 O GLY A 58 -18.349 -2.502 -2.187 1.00 0.00 O ATOM 0 H GLY A 58 -16.379 -1.728 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.956 -2.276 -1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.206 -3.458 -0.085 1.00 0.00 H new ATOM 773 N HIS A 59 -18.870 -3.405 -0.253 1.00 0.00 N ATOM 774 CA HIS A 59 -20.259 -3.692 -0.708 1.00 0.00 C ATOM 775 C HIS A 59 -21.073 -2.398 -0.699 1.00 0.00 C ATOM 776 O HIS A 59 -20.739 -1.440 -1.366 1.00 0.00 O ATOM 777 CB HIS A 59 -20.908 -4.709 0.234 1.00 0.00 C ATOM 778 CG HIS A 59 -20.867 -4.184 1.644 1.00 0.00 C ATOM 779 ND1 HIS A 59 -21.739 -3.204 2.096 1.00 0.00 N ATOM 780 CD2 HIS A 59 -20.066 -4.495 2.714 1.00 0.00 C ATOM 781 CE1 HIS A 59 -21.442 -2.962 3.386 1.00 0.00 C ATOM 782 NE2 HIS A 59 -20.430 -3.721 3.812 1.00 0.00 N ATOM 0 H HIS A 59 -18.657 -3.695 0.701 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.233 -4.100 -1.718 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -21.939 -4.893 -0.067 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.383 -5.663 0.174 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -19.274 -5.229 2.705 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -21.960 -2.241 4.002 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -20.013 -3.732 4.743 1.00 0.00 H new TER 790 HIS A 59