USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 268 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 1 ASN :FLIP amide:sc= 0.872 F(o=-0.35,f=0.87) USER MOD Single : A 1 ASN N :NH3+ 156:sc= 0.224 (180deg=-0.312) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.377 K(o=-0.38,f=-2) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 91:sc= 0.0813 USER MOD Single : A 25 SER OG : rot 114:sc= 0.555 USER MOD Single : A 30 LYS NZ :NH3+ 150:sc= -0.456 (180deg=-1.81) USER MOD Single : A 31 GLN : amide:sc= 0.603 K(o=0.6,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.0532 X(o=-0.053,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 0.304 3.617 0.905 1.00 11.20 N ATOM 2 CA ASN A 1 0.052 2.602 -0.112 1.00 4.42 C ATOM 3 C ASN A 1 1.337 1.862 -0.471 1.00 21.12 C ATOM 4 O ASN A 1 2.321 2.471 -0.891 1.00 53.04 O ATOM 5 CB ASN A 1 -0.547 3.244 -1.365 1.00 30.21 C ATOM 6 CG ASN A 1 0.091 4.580 -1.692 1.00 41.01 C ATOM 7 OD1 ASN A 1 -0.708 5.640 -1.663 1.00 74.10 O flip ATOM 8 ND2 ASN A 1 1.289 4.658 -1.967 1.00 53.14 N flip ATOM 0 H1 ASN A 1 -0.428 4.354 0.849 1.00 11.20 H new ATOM 0 H2 ASN A 1 0.281 3.177 1.847 1.00 11.20 H new ATOM 0 H3 ASN A 1 1.239 4.044 0.745 1.00 11.20 H new ATOM 0 HA ASN A 1 -0.659 1.883 0.295 1.00 4.42 H new ATOM 0 HB2 ASN A 1 -0.422 2.568 -2.211 1.00 30.21 H new ATOM 0 HB3 ASN A 1 -1.619 3.382 -1.222 1.00 30.21 H new ATOM 0 HD21 ASN A 1 1.866 3.817 -1.977 1.00 53.14 H new ATOM 0 HD22 ASN A 1 1.704 5.564 -2.184 1.00 53.14 H new ATOM 15 N VAL A 2 1.321 0.543 -0.302 1.00 54.43 N ATOM 16 CA VAL A 2 2.483 -0.281 -0.610 1.00 31.20 C ATOM 17 C VAL A 2 2.139 -1.765 -0.537 1.00 2.33 C ATOM 18 O VAL A 2 1.647 -2.249 0.483 1.00 44.22 O ATOM 19 CB VAL A 2 3.650 0.012 0.352 1.00 53.33 C ATOM 20 CG1 VAL A 2 3.216 -0.192 1.795 1.00 24.34 C ATOM 21 CG2 VAL A 2 4.848 -0.863 0.017 1.00 3.31 C ATOM 0 H VAL A 2 0.516 0.023 0.047 1.00 54.43 H new ATOM 0 HA VAL A 2 2.788 -0.031 -1.626 1.00 31.20 H new ATOM 0 HB VAL A 2 3.946 1.054 0.231 1.00 53.33 H new ATOM 0 HG11 VAL A 2 4.053 0.020 2.460 1.00 24.34 H new ATOM 0 HG12 VAL A 2 2.390 0.481 2.025 1.00 24.34 H new ATOM 0 HG13 VAL A 2 2.893 -1.223 1.935 1.00 24.34 H new ATOM 0 HG21 VAL A 2 5.663 -0.643 0.706 1.00 3.31 H new ATOM 0 HG22 VAL A 2 4.569 -1.913 0.108 1.00 3.31 H new ATOM 0 HG23 VAL A 2 5.172 -0.661 -1.004 1.00 3.31 H new ATOM 31 N ASP A 3 2.402 -2.481 -1.624 1.00 33.41 N ATOM 32 CA ASP A 3 2.122 -3.911 -1.683 1.00 73.41 C ATOM 33 C ASP A 3 0.625 -4.178 -1.551 1.00 65.05 C ATOM 34 O ASP A 3 0.202 -5.027 -0.766 1.00 41.54 O ATOM 35 CB ASP A 3 2.883 -4.648 -0.579 1.00 54.24 C ATOM 36 CG ASP A 3 3.131 -6.104 -0.920 1.00 31.10 C ATOM 37 OD1 ASP A 3 3.429 -6.888 0.006 1.00 44.33 O ATOM 38 OD2 ASP A 3 3.026 -6.460 -2.112 1.00 72.40 O ATOM 0 H ASP A 3 2.809 -2.095 -2.476 1.00 33.41 H new ATOM 0 HA ASP A 3 2.455 -4.281 -2.653 1.00 73.41 H new ATOM 0 HB2 ASP A 3 3.837 -4.151 -0.405 1.00 54.24 H new ATOM 0 HB3 ASP A 3 2.318 -4.587 0.351 1.00 54.24 H new ATOM 43 N VAL A 4 -0.171 -3.447 -2.325 1.00 11.23 N ATOM 44 CA VAL A 4 -1.620 -3.604 -2.295 1.00 33.12 C ATOM 45 C VAL A 4 -2.104 -4.464 -3.457 1.00 42.23 C ATOM 46 O VAL A 4 -3.083 -4.129 -4.125 1.00 23.42 O ATOM 47 CB VAL A 4 -2.334 -2.240 -2.348 1.00 31.34 C ATOM 48 CG1 VAL A 4 -2.047 -1.438 -1.088 1.00 2.13 C ATOM 49 CG2 VAL A 4 -1.914 -1.468 -3.589 1.00 15.50 C ATOM 0 H VAL A 4 0.163 -2.740 -2.980 1.00 11.23 H new ATOM 0 HA VAL A 4 -1.865 -4.098 -1.355 1.00 33.12 H new ATOM 0 HB VAL A 4 -3.409 -2.413 -2.402 1.00 31.34 H new ATOM 0 HG11 VAL A 4 -2.560 -0.478 -1.143 1.00 2.13 H new ATOM 0 HG12 VAL A 4 -2.402 -1.989 -0.217 1.00 2.13 H new ATOM 0 HG13 VAL A 4 -0.973 -1.272 -0.999 1.00 2.13 H new ATOM 0 HG21 VAL A 4 -2.428 -0.507 -3.611 1.00 15.50 H new ATOM 0 HG22 VAL A 4 -0.837 -1.303 -3.568 1.00 15.50 H new ATOM 0 HG23 VAL A 4 -2.176 -2.040 -4.479 1.00 15.50 H new ATOM 59 N ARG A 5 -1.411 -5.573 -3.694 1.00 34.34 N ATOM 60 CA ARG A 5 -1.770 -6.482 -4.776 1.00 42.53 C ATOM 61 C ARG A 5 -2.678 -7.599 -4.271 1.00 3.13 C ATOM 62 O ARG A 5 -2.271 -8.418 -3.447 1.00 23.42 O ATOM 63 CB ARG A 5 -0.511 -7.079 -5.407 1.00 63.01 C ATOM 64 CG ARG A 5 0.037 -6.262 -6.566 1.00 12.54 C ATOM 65 CD ARG A 5 -0.716 -6.549 -7.855 1.00 63.43 C ATOM 66 NE ARG A 5 -0.458 -7.899 -8.349 1.00 73.45 N ATOM 67 CZ ARG A 5 -0.710 -8.287 -9.595 1.00 12.50 C ATOM 68 NH1 ARG A 5 -1.223 -7.430 -10.468 1.00 20.41 N ATOM 69 NH2 ARG A 5 -0.449 -9.532 -9.970 1.00 24.34 N ATOM 0 H ARG A 5 -0.598 -5.864 -3.151 1.00 34.34 H new ATOM 0 HA ARG A 5 -2.312 -5.912 -5.531 1.00 42.53 H new ATOM 0 HB2 ARG A 5 0.260 -7.171 -4.642 1.00 63.01 H new ATOM 0 HB3 ARG A 5 -0.734 -8.087 -5.757 1.00 63.01 H new ATOM 0 HG2 ARG A 5 -0.035 -5.200 -6.330 1.00 12.54 H new ATOM 0 HG3 ARG A 5 1.095 -6.487 -6.703 1.00 12.54 H new ATOM 0 HD2 ARG A 5 -1.785 -6.423 -7.686 1.00 63.43 H new ATOM 0 HD3 ARG A 5 -0.425 -5.823 -8.614 1.00 63.43 H new ATOM 0 HE ARG A 5 -0.063 -8.582 -7.702 1.00 73.45 H new ATOM 0 HH11 ARG A 5 -1.425 -6.471 -10.183 1.00 20.41 H new ATOM 0 HH12 ARG A 5 -1.416 -7.730 -11.424 1.00 20.41 H new ATOM 0 HH21 ARG A 5 -0.054 -10.194 -9.302 1.00 24.34 H new ATOM 0 HH22 ARG A 5 -0.643 -9.828 -10.927 1.00 24.34 H new ATOM 83 N TYR A 6 -3.909 -7.625 -4.769 1.00 43.20 N ATOM 84 CA TYR A 6 -4.875 -8.639 -4.366 1.00 33.22 C ATOM 85 C TYR A 6 -5.401 -9.403 -5.577 1.00 41.04 C ATOM 86 O TYR A 6 -5.164 -9.016 -6.722 1.00 45.22 O ATOM 87 CB TYR A 6 -6.039 -7.994 -3.612 1.00 10.33 C ATOM 88 CG TYR A 6 -6.645 -6.810 -4.332 1.00 31.42 C ATOM 89 CD1 TYR A 6 -6.310 -5.510 -3.976 1.00 43.31 C ATOM 90 CD2 TYR A 6 -7.554 -6.993 -5.367 1.00 3.30 C ATOM 91 CE1 TYR A 6 -6.861 -4.425 -4.631 1.00 34.34 C ATOM 92 CE2 TYR A 6 -8.109 -5.914 -6.028 1.00 72.40 C ATOM 93 CZ TYR A 6 -7.760 -4.633 -5.656 1.00 51.21 C ATOM 94 OH TYR A 6 -8.312 -3.556 -6.311 1.00 74.02 O ATOM 0 H TYR A 6 -4.261 -6.955 -5.453 1.00 43.20 H new ATOM 0 HA TYR A 6 -4.369 -9.344 -3.706 1.00 33.22 H new ATOM 0 HB2 TYR A 6 -6.813 -8.743 -3.446 1.00 10.33 H new ATOM 0 HB3 TYR A 6 -5.691 -7.673 -2.630 1.00 10.33 H new ATOM 0 HD1 TYR A 6 -5.607 -5.344 -3.173 1.00 43.31 H new ATOM 0 HD2 TYR A 6 -7.831 -7.995 -5.660 1.00 3.30 H new ATOM 0 HE1 TYR A 6 -6.589 -3.420 -4.342 1.00 34.34 H new ATOM 0 HE2 TYR A 6 -8.812 -6.073 -6.832 1.00 72.40 H new ATOM 0 HH TYR A 6 -8.924 -3.875 -7.007 1.00 74.02 H new ATOM 104 N THR A 7 -6.118 -10.492 -5.317 1.00 40.20 N ATOM 105 CA THR A 7 -6.678 -11.312 -6.384 1.00 43.41 C ATOM 106 C THR A 7 -8.140 -11.646 -6.111 1.00 63.21 C ATOM 107 O THR A 7 -8.671 -12.626 -6.635 1.00 4.13 O ATOM 108 CB THR A 7 -5.887 -12.622 -6.559 1.00 51.15 C ATOM 109 OG1 THR A 7 -4.786 -12.655 -5.645 1.00 65.52 O ATOM 110 CG2 THR A 7 -5.374 -12.758 -7.985 1.00 41.51 C ATOM 0 H THR A 7 -6.325 -10.827 -4.376 1.00 40.20 H new ATOM 0 HA THR A 7 -6.607 -10.728 -7.302 1.00 43.41 H new ATOM 0 HB THR A 7 -6.557 -13.456 -6.350 1.00 51.15 H new ATOM 0 HG1 THR A 7 -4.289 -13.492 -5.761 1.00 65.52 H new ATOM 0 HG21 THR A 7 -4.819 -13.691 -8.084 1.00 41.51 H new ATOM 0 HG22 THR A 7 -6.217 -12.762 -8.676 1.00 41.51 H new ATOM 0 HG23 THR A 7 -4.718 -11.919 -8.217 1.00 41.51 H new ATOM 118 N TYR A 8 -8.786 -10.827 -5.289 1.00 44.42 N ATOM 119 CA TYR A 8 -10.187 -11.037 -4.945 1.00 61.04 C ATOM 120 C TYR A 8 -10.741 -9.848 -4.166 1.00 72.24 C ATOM 121 O TYR A 8 -10.074 -8.824 -4.017 1.00 73.13 O ATOM 122 CB TYR A 8 -10.345 -12.318 -4.124 1.00 55.23 C ATOM 123 CG TYR A 8 -9.518 -12.332 -2.859 1.00 65.42 C ATOM 124 CD1 TYR A 8 -10.104 -12.108 -1.619 1.00 62.45 C ATOM 125 CD2 TYR A 8 -8.149 -12.569 -2.903 1.00 72.04 C ATOM 126 CE1 TYR A 8 -9.351 -12.120 -0.461 1.00 34.11 C ATOM 127 CE2 TYR A 8 -7.389 -12.584 -1.750 1.00 33.00 C ATOM 128 CZ TYR A 8 -7.995 -12.359 -0.531 1.00 42.23 C ATOM 129 OH TYR A 8 -7.241 -12.372 0.620 1.00 41.51 O ATOM 0 H TYR A 8 -8.362 -10.011 -4.848 1.00 44.42 H new ATOM 0 HA TYR A 8 -10.752 -11.135 -5.872 1.00 61.04 H new ATOM 0 HB2 TYR A 8 -11.396 -12.445 -3.863 1.00 55.23 H new ATOM 0 HB3 TYR A 8 -10.065 -13.172 -4.741 1.00 55.23 H new ATOM 0 HD1 TYR A 8 -11.166 -11.921 -1.560 1.00 62.45 H new ATOM 0 HD2 TYR A 8 -7.671 -12.744 -3.856 1.00 72.04 H new ATOM 0 HE1 TYR A 8 -9.822 -11.943 0.495 1.00 34.11 H new ATOM 0 HE2 TYR A 8 -6.327 -12.771 -1.802 1.00 33.00 H new ATOM 0 HH TYR A 8 -6.305 -12.556 0.396 1.00 41.51 H new ATOM 139 N ARG A 9 -11.966 -9.993 -3.671 1.00 41.11 N ATOM 140 CA ARG A 9 -12.612 -8.932 -2.908 1.00 5.15 C ATOM 141 C ARG A 9 -12.718 -9.311 -1.433 1.00 55.23 C ATOM 142 O ARG A 9 -13.739 -9.821 -0.971 1.00 11.24 O ATOM 143 CB ARG A 9 -14.003 -8.642 -3.473 1.00 11.11 C ATOM 144 CG ARG A 9 -14.012 -7.566 -4.546 1.00 53.04 C ATOM 145 CD ARG A 9 -13.843 -8.163 -5.935 1.00 3.23 C ATOM 146 NE ARG A 9 -15.040 -8.874 -6.375 1.00 10.02 N ATOM 147 CZ ARG A 9 -15.132 -9.509 -7.538 1.00 41.41 C ATOM 148 NH1 ARG A 9 -14.102 -9.521 -8.373 1.00 54.04 N ATOM 149 NH2 ARG A 9 -16.255 -10.133 -7.868 1.00 34.14 N ATOM 0 H ARG A 9 -12.531 -10.835 -3.785 1.00 41.11 H new ATOM 0 HA ARG A 9 -12.000 -8.034 -2.992 1.00 5.15 H new ATOM 0 HB2 ARG A 9 -14.416 -9.561 -3.889 1.00 11.11 H new ATOM 0 HB3 ARG A 9 -14.660 -8.337 -2.659 1.00 11.11 H new ATOM 0 HG2 ARG A 9 -14.949 -7.011 -4.499 1.00 53.04 H new ATOM 0 HG3 ARG A 9 -13.210 -6.853 -4.355 1.00 53.04 H new ATOM 0 HD2 ARG A 9 -13.612 -7.369 -6.645 1.00 3.23 H new ATOM 0 HD3 ARG A 9 -12.995 -8.847 -5.935 1.00 3.23 H new ATOM 0 HE ARG A 9 -15.850 -8.884 -5.755 1.00 10.02 H new ATOM 0 HH11 ARG A 9 -13.237 -9.042 -8.123 1.00 54.04 H new ATOM 0 HH12 ARG A 9 -14.175 -10.009 -9.266 1.00 54.04 H new ATOM 0 HH21 ARG A 9 -17.049 -10.126 -7.228 1.00 34.14 H new ATOM 0 HH22 ARG A 9 -16.324 -10.620 -8.761 1.00 34.14 H new ATOM 163 N PRO A 10 -11.640 -9.057 -0.677 1.00 52.01 N ATOM 164 CA PRO A 10 -11.588 -9.363 0.756 1.00 71.55 C ATOM 165 C PRO A 10 -12.499 -8.456 1.576 1.00 65.21 C ATOM 166 O PRO A 10 -12.959 -7.422 1.093 1.00 40.04 O ATOM 167 CB PRO A 10 -10.121 -9.118 1.118 1.00 52.33 C ATOM 168 CG PRO A 10 -9.640 -8.138 0.104 1.00 64.44 C ATOM 169 CD PRO A 10 -10.389 -8.451 -1.162 1.00 50.41 C ATOM 0 HA PRO A 10 -11.930 -10.376 0.969 1.00 71.55 H new ATOM 0 HB2 PRO A 10 -10.023 -8.722 2.129 1.00 52.33 H new ATOM 0 HB3 PRO A 10 -9.544 -10.042 1.080 1.00 52.33 H new ATOM 0 HG2 PRO A 10 -9.832 -7.115 0.428 1.00 64.44 H new ATOM 0 HG3 PRO A 10 -8.564 -8.228 -0.046 1.00 64.44 H new ATOM 0 HD2 PRO A 10 -10.579 -7.553 -1.749 1.00 50.41 H new ATOM 0 HD3 PRO A 10 -9.831 -9.137 -1.800 1.00 50.41 H new ATOM 177 N SER A 11 -12.754 -8.850 2.820 1.00 62.05 N ATOM 178 CA SER A 11 -13.612 -8.073 3.706 1.00 34.42 C ATOM 179 C SER A 11 -13.009 -6.699 3.980 1.00 53.03 C ATOM 180 O SER A 11 -13.693 -5.679 3.891 1.00 32.21 O ATOM 181 CB SER A 11 -13.828 -8.820 5.024 1.00 12.32 C ATOM 182 OG SER A 11 -14.258 -7.937 6.046 1.00 53.33 O ATOM 0 H SER A 11 -12.379 -9.702 3.236 1.00 62.05 H new ATOM 0 HA SER A 11 -14.574 -7.936 3.212 1.00 34.42 H new ATOM 0 HB2 SER A 11 -14.569 -9.606 4.883 1.00 12.32 H new ATOM 0 HB3 SER A 11 -12.901 -9.307 5.326 1.00 12.32 H new ATOM 0 HG SER A 11 -14.390 -8.439 6.877 1.00 53.33 H new ATOM 188 N VAL A 12 -11.723 -6.680 4.313 1.00 4.11 N ATOM 189 CA VAL A 12 -11.025 -5.432 4.599 1.00 53.20 C ATOM 190 C VAL A 12 -9.536 -5.553 4.297 1.00 2.11 C ATOM 191 O VAL A 12 -8.958 -6.639 4.325 1.00 24.44 O ATOM 192 CB VAL A 12 -11.207 -5.011 6.069 1.00 33.24 C ATOM 193 CG1 VAL A 12 -12.616 -4.487 6.305 1.00 43.14 C ATOM 194 CG2 VAL A 12 -10.901 -6.177 6.998 1.00 14.52 C ATOM 0 H VAL A 12 -11.143 -7.515 4.392 1.00 4.11 H new ATOM 0 HA VAL A 12 -11.463 -4.670 3.954 1.00 53.20 H new ATOM 0 HB VAL A 12 -10.505 -4.206 6.288 1.00 33.24 H new ATOM 0 HG11 VAL A 12 -12.725 -4.195 7.349 1.00 43.14 H new ATOM 0 HG12 VAL A 12 -12.795 -3.623 5.666 1.00 43.14 H new ATOM 0 HG13 VAL A 12 -13.339 -5.268 6.069 1.00 43.14 H new ATOM 0 HG21 VAL A 12 -11.034 -5.862 8.033 1.00 14.52 H new ATOM 0 HG22 VAL A 12 -11.578 -7.003 6.780 1.00 14.52 H new ATOM 0 HG23 VAL A 12 -9.871 -6.502 6.847 1.00 14.52 H new ATOM 204 N PRO A 13 -8.897 -4.411 4.001 1.00 14.12 N ATOM 205 CA PRO A 13 -7.466 -4.362 3.689 1.00 21.31 C ATOM 206 C PRO A 13 -6.597 -4.647 4.909 1.00 3.33 C ATOM 207 O PRO A 13 -6.740 -4.003 5.949 1.00 62.35 O ATOM 208 CB PRO A 13 -7.257 -2.925 3.207 1.00 43.31 C ATOM 209 CG PRO A 13 -8.349 -2.145 3.854 1.00 72.32 C ATOM 210 CD PRO A 13 -9.524 -3.079 3.949 1.00 62.31 C ATOM 0 HA PRO A 13 -7.182 -5.117 2.956 1.00 21.31 H new ATOM 0 HB2 PRO A 13 -6.276 -2.549 3.498 1.00 43.31 H new ATOM 0 HB3 PRO A 13 -7.314 -2.860 2.120 1.00 43.31 H new ATOM 0 HG2 PRO A 13 -8.047 -1.796 4.841 1.00 72.32 H new ATOM 0 HG3 PRO A 13 -8.599 -1.262 3.266 1.00 72.32 H new ATOM 0 HD2 PRO A 13 -10.123 -2.882 4.838 1.00 62.31 H new ATOM 0 HD3 PRO A 13 -10.187 -2.980 3.089 1.00 62.31 H new ATOM 218 N ALA A 14 -5.695 -5.614 4.775 1.00 33.04 N ATOM 219 CA ALA A 14 -4.801 -5.981 5.866 1.00 33.44 C ATOM 220 C ALA A 14 -4.023 -4.770 6.370 1.00 34.52 C ATOM 221 O ALA A 14 -3.853 -4.587 7.576 1.00 31.00 O ATOM 222 CB ALA A 14 -3.845 -7.077 5.419 1.00 43.31 C ATOM 0 H ALA A 14 -5.564 -6.157 3.922 1.00 33.04 H new ATOM 0 HA ALA A 14 -5.408 -6.357 6.689 1.00 33.44 H new ATOM 0 HB1 ALA A 14 -3.183 -7.341 6.244 1.00 43.31 H new ATOM 0 HB2 ALA A 14 -4.415 -7.955 5.115 1.00 43.31 H new ATOM 0 HB3 ALA A 14 -3.251 -6.721 4.577 1.00 43.31 H new ATOM 228 N HIS A 15 -3.552 -3.946 5.440 1.00 73.44 N ATOM 229 CA HIS A 15 -2.792 -2.752 5.790 1.00 23.20 C ATOM 230 C HIS A 15 -2.399 -1.972 4.539 1.00 4.12 C ATOM 231 O HIS A 15 -2.427 -2.504 3.429 1.00 30.25 O ATOM 232 CB HIS A 15 -1.540 -3.133 6.582 1.00 54.10 C ATOM 233 CG HIS A 15 -0.771 -4.267 5.978 1.00 74.31 C ATOM 234 ND1 HIS A 15 -0.491 -4.354 4.630 1.00 14.35 N ATOM 235 CD2 HIS A 15 -0.221 -5.366 6.546 1.00 1.42 C ATOM 236 CE1 HIS A 15 0.196 -5.457 4.396 1.00 44.12 C ATOM 237 NE2 HIS A 15 0.374 -6.089 5.542 1.00 44.30 N ATOM 0 H HIS A 15 -3.683 -4.083 4.438 1.00 73.44 H new ATOM 0 HA HIS A 15 -3.425 -2.116 6.409 1.00 23.20 H new ATOM 0 HB2 HIS A 15 -0.889 -2.262 6.657 1.00 54.10 H new ATOM 0 HB3 HIS A 15 -1.830 -3.402 7.598 1.00 54.10 H new ATOM 0 HD2 HIS A 15 -0.246 -5.626 7.594 1.00 1.42 H new ATOM 0 HE1 HIS A 15 0.552 -5.787 3.431 1.00 44.12 H new ATOM 0 HE2 HIS A 15 0.872 -6.971 5.662 1.00 44.30 H new ATOM 245 N ARG A 16 -2.033 -0.708 4.727 1.00 51.04 N ATOM 246 CA ARG A 16 -1.637 0.146 3.613 1.00 25.33 C ATOM 247 C ARG A 16 -0.264 0.764 3.864 1.00 14.24 C ATOM 248 O ARG A 16 -0.036 1.936 3.563 1.00 31.22 O ATOM 249 CB ARG A 16 -2.673 1.249 3.395 1.00 40.52 C ATOM 250 CG ARG A 16 -4.107 0.746 3.390 1.00 31.01 C ATOM 251 CD ARG A 16 -5.073 1.820 2.915 1.00 11.23 C ATOM 252 NE ARG A 16 -6.466 1.434 3.123 1.00 72.14 N ATOM 253 CZ ARG A 16 -7.042 1.375 4.318 1.00 33.20 C ATOM 254 NH1 ARG A 16 -6.349 1.676 5.407 1.00 30.44 N ATOM 255 NH2 ARG A 16 -8.315 1.015 4.425 1.00 21.55 N ATOM 0 H ARG A 16 -2.002 -0.253 5.639 1.00 51.04 H new ATOM 0 HA ARG A 16 -1.580 -0.471 2.716 1.00 25.33 H new ATOM 0 HB2 ARG A 16 -2.563 1.999 4.178 1.00 40.52 H new ATOM 0 HB3 ARG A 16 -2.468 1.746 2.447 1.00 40.52 H new ATOM 0 HG2 ARG A 16 -4.185 -0.127 2.742 1.00 31.01 H new ATOM 0 HG3 ARG A 16 -4.384 0.424 4.394 1.00 31.01 H new ATOM 0 HD2 ARG A 16 -4.871 2.750 3.447 1.00 11.23 H new ATOM 0 HD3 ARG A 16 -4.905 2.016 1.856 1.00 11.23 H new ATOM 0 HE ARG A 16 -7.027 1.197 2.305 1.00 72.14 H new ATOM 0 HH11 ARG A 16 -5.371 1.954 5.328 1.00 30.44 H new ATOM 0 HH12 ARG A 16 -6.794 1.630 6.324 1.00 30.44 H new ATOM 0 HH21 ARG A 16 -8.852 0.783 3.589 1.00 21.55 H new ATOM 0 HH22 ARG A 16 -8.757 0.970 5.343 1.00 21.55 H new ATOM 269 N ARG A 17 0.645 -0.031 4.418 1.00 21.22 N ATOM 270 CA ARG A 17 1.994 0.438 4.711 1.00 13.54 C ATOM 271 C ARG A 17 2.961 -0.734 4.846 1.00 74.31 C ATOM 272 O ARG A 17 2.563 -1.895 4.746 1.00 31.10 O ATOM 273 CB ARG A 17 2.000 1.268 5.997 1.00 53.14 C ATOM 274 CG ARG A 17 1.970 2.768 5.753 1.00 12.24 C ATOM 275 CD ARG A 17 2.100 3.546 7.054 1.00 40.15 C ATOM 276 NE ARG A 17 2.752 4.838 6.856 1.00 61.24 N ATOM 277 CZ ARG A 17 4.057 4.978 6.648 1.00 14.54 C ATOM 278 NH1 ARG A 17 4.844 3.912 6.612 1.00 41.42 N ATOM 279 NH2 ARG A 17 4.576 6.187 6.477 1.00 52.43 N ATOM 0 H ARG A 17 0.472 -1.003 4.673 1.00 21.22 H new ATOM 0 HA ARG A 17 2.322 1.063 3.880 1.00 13.54 H new ATOM 0 HB2 ARG A 17 1.138 0.990 6.603 1.00 53.14 H new ATOM 0 HB3 ARG A 17 2.890 1.020 6.575 1.00 53.14 H new ATOM 0 HG2 ARG A 17 2.781 3.045 5.080 1.00 12.24 H new ATOM 0 HG3 ARG A 17 1.038 3.039 5.257 1.00 12.24 H new ATOM 0 HD2 ARG A 17 1.111 3.701 7.484 1.00 40.15 H new ATOM 0 HD3 ARG A 17 2.671 2.958 7.773 1.00 40.15 H new ATOM 0 HE ARG A 17 2.174 5.678 6.879 1.00 61.24 H new ATOM 0 HH11 ARG A 17 4.448 2.981 6.744 1.00 41.42 H new ATOM 0 HH12 ARG A 17 5.845 4.022 6.452 1.00 41.42 H new ATOM 0 HH21 ARG A 17 3.973 7.009 6.505 1.00 52.43 H new ATOM 0 HH22 ARG A 17 5.578 6.294 6.317 1.00 52.43 H new ATOM 293 N VAL A 18 4.233 -0.423 5.073 1.00 51.24 N ATOM 294 CA VAL A 18 5.257 -1.450 5.221 1.00 33.23 C ATOM 295 C VAL A 18 5.292 -1.988 6.647 1.00 30.42 C ATOM 296 O VAL A 18 5.681 -3.133 6.880 1.00 5.21 O ATOM 297 CB VAL A 18 6.651 -0.910 4.854 1.00 44.05 C ATOM 298 CG1 VAL A 18 7.072 0.186 5.821 1.00 53.34 C ATOM 299 CG2 VAL A 18 7.672 -2.038 4.837 1.00 31.03 C ATOM 0 H VAL A 18 4.579 0.533 5.158 1.00 51.24 H new ATOM 0 HA VAL A 18 4.997 -2.257 4.536 1.00 33.23 H new ATOM 0 HB VAL A 18 6.602 -0.479 3.854 1.00 44.05 H new ATOM 0 HG11 VAL A 18 8.060 0.555 5.545 1.00 53.34 H new ATOM 0 HG12 VAL A 18 6.354 1.005 5.778 1.00 53.34 H new ATOM 0 HG13 VAL A 18 7.104 -0.215 6.834 1.00 53.34 H new ATOM 0 HG21 VAL A 18 8.652 -1.638 4.576 1.00 31.03 H new ATOM 0 HG22 VAL A 18 7.720 -2.500 5.823 1.00 31.03 H new ATOM 0 HG23 VAL A 18 7.377 -2.785 4.100 1.00 31.03 H new ATOM 309 N ARG A 19 4.882 -1.156 7.598 1.00 1.35 N ATOM 310 CA ARG A 19 4.867 -1.548 9.003 1.00 43.34 C ATOM 311 C ARG A 19 3.620 -1.015 9.703 1.00 64.44 C ATOM 312 O ARG A 19 3.694 -0.073 10.490 1.00 24.15 O ATOM 313 CB ARG A 19 6.122 -1.033 9.711 1.00 32.10 C ATOM 314 CG ARG A 19 7.397 -1.741 9.283 1.00 72.22 C ATOM 315 CD ARG A 19 7.515 -3.114 9.927 1.00 0.40 C ATOM 316 NE ARG A 19 8.293 -4.038 9.107 1.00 45.11 N ATOM 317 CZ ARG A 19 8.853 -5.146 9.579 1.00 62.32 C ATOM 318 NH1 ARG A 19 8.721 -5.467 10.859 1.00 51.25 N ATOM 319 NH2 ARG A 19 9.547 -5.937 8.770 1.00 74.12 N ATOM 0 H ARG A 19 4.556 -0.206 7.422 1.00 1.35 H new ATOM 0 HA ARG A 19 4.852 -2.637 9.051 1.00 43.34 H new ATOM 0 HB2 ARG A 19 6.226 0.034 9.516 1.00 32.10 H new ATOM 0 HB3 ARG A 19 5.995 -1.150 10.787 1.00 32.10 H new ATOM 0 HG2 ARG A 19 7.410 -1.844 8.198 1.00 72.22 H new ATOM 0 HG3 ARG A 19 8.261 -1.134 9.556 1.00 72.22 H new ATOM 0 HD2 ARG A 19 7.983 -3.016 10.906 1.00 0.40 H new ATOM 0 HD3 ARG A 19 6.519 -3.525 10.090 1.00 0.40 H new ATOM 0 HE ARG A 19 8.413 -3.821 8.118 1.00 45.11 H new ATOM 0 HH11 ARG A 19 8.188 -4.862 11.484 1.00 51.25 H new ATOM 0 HH12 ARG A 19 9.152 -6.319 11.218 1.00 51.25 H new ATOM 0 HH21 ARG A 19 9.651 -5.694 7.785 1.00 74.12 H new ATOM 0 HH22 ARG A 19 9.977 -6.788 9.134 1.00 74.12 H new ATOM 333 N GLU A 20 2.477 -1.626 9.408 1.00 14.33 N ATOM 334 CA GLU A 20 1.214 -1.211 10.009 1.00 70.52 C ATOM 335 C GLU A 20 0.533 -2.385 10.708 1.00 41.24 C ATOM 336 O GLU A 20 0.196 -3.386 10.076 1.00 31.32 O ATOM 337 CB GLU A 20 0.284 -0.629 8.943 1.00 54.11 C ATOM 338 CG GLU A 20 -0.513 0.574 9.421 1.00 24.54 C ATOM 339 CD GLU A 20 -1.553 0.208 10.463 1.00 64.35 C ATOM 340 OE1 GLU A 20 -1.186 0.093 11.651 1.00 33.11 O ATOM 341 OE2 GLU A 20 -2.732 0.036 10.089 1.00 3.14 O ATOM 0 H GLU A 20 2.399 -2.408 8.758 1.00 14.33 H new ATOM 0 HA GLU A 20 1.429 -0.443 10.752 1.00 70.52 H new ATOM 0 HB2 GLU A 20 0.876 -0.340 8.075 1.00 54.11 H new ATOM 0 HB3 GLU A 20 -0.407 -1.405 8.613 1.00 54.11 H new ATOM 0 HG2 GLU A 20 0.169 1.315 9.838 1.00 24.54 H new ATOM 0 HG3 GLU A 20 -1.007 1.040 8.568 1.00 24.54 H new ATOM 348 N SER A 21 0.335 -2.253 12.015 1.00 12.03 N ATOM 349 CA SER A 21 -0.302 -3.303 12.802 1.00 64.24 C ATOM 350 C SER A 21 -1.637 -2.827 13.364 1.00 14.23 C ATOM 351 O SER A 21 -1.777 -2.557 14.557 1.00 2.04 O ATOM 352 CB SER A 21 0.618 -3.743 13.943 1.00 74.13 C ATOM 353 OG SER A 21 1.516 -4.751 13.514 1.00 62.41 O ATOM 0 H SER A 21 0.606 -1.429 12.552 1.00 12.03 H new ATOM 0 HA SER A 21 -0.487 -4.153 12.146 1.00 64.24 H new ATOM 0 HB2 SER A 21 1.179 -2.885 14.313 1.00 74.13 H new ATOM 0 HB3 SER A 21 0.019 -4.115 14.774 1.00 74.13 H new ATOM 0 HG SER A 21 2.094 -5.014 14.261 1.00 62.41 H new ATOM 359 N PRO A 22 -2.645 -2.720 12.485 1.00 64.51 N ATOM 360 CA PRO A 22 -3.988 -2.277 12.870 1.00 62.03 C ATOM 361 C PRO A 22 -4.715 -3.307 13.727 1.00 70.30 C ATOM 362 O PRO A 22 -4.300 -4.464 13.811 1.00 73.20 O ATOM 363 CB PRO A 22 -4.701 -2.099 11.527 1.00 60.50 C ATOM 364 CG PRO A 22 -3.983 -3.012 10.593 1.00 34.04 C ATOM 365 CD PRO A 22 -2.550 -3.025 11.047 1.00 21.44 C ATOM 0 HA PRO A 22 -3.960 -1.372 13.477 1.00 62.03 H new ATOM 0 HB2 PRO A 22 -5.757 -2.359 11.602 1.00 60.50 H new ATOM 0 HB3 PRO A 22 -4.651 -1.065 11.186 1.00 60.50 H new ATOM 0 HG2 PRO A 22 -4.410 -4.014 10.621 1.00 34.04 H new ATOM 0 HG3 PRO A 22 -4.063 -2.660 9.564 1.00 34.04 H new ATOM 0 HD2 PRO A 22 -2.082 -3.994 10.872 1.00 21.44 H new ATOM 0 HD3 PRO A 22 -1.954 -2.282 10.517 1.00 21.44 H new ATOM 373 N LEU A 23 -5.801 -2.881 14.362 1.00 74.13 N ATOM 374 CA LEU A 23 -6.587 -3.767 15.213 1.00 75.52 C ATOM 375 C LEU A 23 -7.874 -4.195 14.513 1.00 2.22 C ATOM 376 O LEU A 23 -8.122 -5.385 14.321 1.00 22.11 O ATOM 377 CB LEU A 23 -6.919 -3.075 16.536 1.00 41.22 C ATOM 378 CG LEU A 23 -5.798 -3.040 17.575 1.00 65.42 C ATOM 379 CD1 LEU A 23 -5.326 -4.450 17.898 1.00 12.43 C ATOM 380 CD2 LEU A 23 -4.638 -2.189 17.080 1.00 42.42 C ATOM 0 H LEU A 23 -6.157 -1.927 14.304 1.00 74.13 H new ATOM 0 HA LEU A 23 -5.992 -4.657 15.415 1.00 75.52 H new ATOM 0 HB2 LEU A 23 -7.220 -2.050 16.321 1.00 41.22 H new ATOM 0 HB3 LEU A 23 -7.781 -3.574 16.978 1.00 41.22 H new ATOM 0 HG LEU A 23 -6.189 -2.591 18.488 1.00 65.42 H new ATOM 0 HD11 LEU A 23 -4.528 -4.406 18.639 1.00 12.43 H new ATOM 0 HD12 LEU A 23 -6.159 -5.030 18.296 1.00 12.43 H new ATOM 0 HD13 LEU A 23 -4.953 -4.925 16.991 1.00 12.43 H new ATOM 0 HD21 LEU A 23 -3.850 -2.176 17.832 1.00 42.42 H new ATOM 0 HD22 LEU A 23 -4.248 -2.609 16.153 1.00 42.42 H new ATOM 0 HD23 LEU A 23 -4.984 -1.171 16.899 1.00 42.42 H new ATOM 392 N SER A 24 -8.688 -3.215 14.133 1.00 62.34 N ATOM 393 CA SER A 24 -9.950 -3.490 13.455 1.00 4.13 C ATOM 394 C SER A 24 -9.733 -4.404 12.253 1.00 51.31 C ATOM 395 O SER A 24 -10.613 -5.181 11.883 1.00 15.43 O ATOM 396 CB SER A 24 -10.606 -2.183 13.006 1.00 72.35 C ATOM 397 OG SER A 24 -10.242 -1.110 13.856 1.00 24.11 O ATOM 0 H SER A 24 -8.497 -2.224 14.283 1.00 62.34 H new ATOM 0 HA SER A 24 -10.610 -3.997 14.159 1.00 4.13 H new ATOM 0 HB2 SER A 24 -10.309 -1.957 11.982 1.00 72.35 H new ATOM 0 HB3 SER A 24 -11.690 -2.298 13.005 1.00 72.35 H new ATOM 0 HG SER A 24 -9.438 -0.673 13.505 1.00 24.11 H new ATOM 403 N SER A 25 -8.555 -4.304 11.647 1.00 65.15 N ATOM 404 CA SER A 25 -8.222 -5.118 10.483 1.00 31.23 C ATOM 405 C SER A 25 -8.104 -6.590 10.866 1.00 21.33 C ATOM 406 O SER A 25 -8.486 -7.475 10.100 1.00 33.03 O ATOM 407 CB SER A 25 -6.913 -4.636 9.854 1.00 33.44 C ATOM 408 OG SER A 25 -6.827 -5.027 8.495 1.00 64.20 O ATOM 0 H SER A 25 -7.815 -3.668 11.942 1.00 65.15 H new ATOM 0 HA SER A 25 -9.026 -5.013 9.755 1.00 31.23 H new ATOM 0 HB2 SER A 25 -6.848 -3.550 9.928 1.00 33.44 H new ATOM 0 HB3 SER A 25 -6.068 -5.045 10.408 1.00 33.44 H new ATOM 0 HG SER A 25 -6.849 -4.231 7.924 1.00 64.20 H new ATOM 414 N ASP A 26 -7.572 -6.844 12.057 1.00 64.34 N ATOM 415 CA ASP A 26 -7.403 -8.209 12.543 1.00 11.54 C ATOM 416 C ASP A 26 -8.657 -8.685 13.269 1.00 34.40 C ATOM 417 O ASP A 26 -8.910 -9.886 13.370 1.00 44.42 O ATOM 418 CB ASP A 26 -6.195 -8.294 13.478 1.00 50.15 C ATOM 419 CG ASP A 26 -4.906 -7.880 12.796 1.00 63.23 C ATOM 420 OD1 ASP A 26 -4.005 -7.365 13.491 1.00 13.42 O ATOM 421 OD2 ASP A 26 -4.797 -8.073 11.567 1.00 44.31 O ATOM 0 H ASP A 26 -7.251 -6.123 12.703 1.00 64.34 H new ATOM 0 HA ASP A 26 -7.234 -8.857 11.683 1.00 11.54 H new ATOM 0 HB2 ASP A 26 -6.365 -7.656 14.346 1.00 50.15 H new ATOM 0 HB3 ASP A 26 -6.096 -9.315 13.847 1.00 50.15 H new ATOM 426 N ALA A 27 -9.440 -7.737 13.774 1.00 44.23 N ATOM 427 CA ALA A 27 -10.668 -8.060 14.489 1.00 2.11 C ATOM 428 C ALA A 27 -11.610 -8.884 13.618 1.00 24.53 C ATOM 429 O ALA A 27 -12.470 -9.604 14.127 1.00 41.21 O ATOM 430 CB ALA A 27 -11.357 -6.786 14.956 1.00 30.42 C ATOM 0 H ALA A 27 -9.245 -6.738 13.701 1.00 44.23 H new ATOM 0 HA ALA A 27 -10.405 -8.659 15.361 1.00 2.11 H new ATOM 0 HB1 ALA A 27 -12.273 -7.042 15.489 1.00 30.42 H new ATOM 0 HB2 ALA A 27 -10.692 -6.236 15.622 1.00 30.42 H new ATOM 0 HB3 ALA A 27 -11.600 -6.167 14.093 1.00 30.42 H new ATOM 436 N ILE A 28 -11.442 -8.775 12.305 1.00 43.32 N ATOM 437 CA ILE A 28 -12.277 -9.511 11.364 1.00 11.12 C ATOM 438 C ILE A 28 -12.212 -11.011 11.629 1.00 63.34 C ATOM 439 O ILE A 28 -13.174 -11.739 11.382 1.00 51.51 O ATOM 440 CB ILE A 28 -11.859 -9.239 9.907 1.00 25.02 C ATOM 441 CG1 ILE A 28 -10.479 -9.839 9.630 1.00 63.14 C ATOM 442 CG2 ILE A 28 -11.858 -7.744 9.626 1.00 11.25 C ATOM 443 CD1 ILE A 28 -10.006 -9.636 8.207 1.00 55.10 C ATOM 0 H ILE A 28 -10.735 -8.184 11.868 1.00 43.32 H new ATOM 0 HA ILE A 28 -13.299 -9.163 11.510 1.00 11.12 H new ATOM 0 HB ILE A 28 -12.582 -9.713 9.243 1.00 25.02 H new ATOM 0 HG12 ILE A 28 -9.755 -9.394 10.312 1.00 63.14 H new ATOM 0 HG13 ILE A 28 -10.506 -10.907 9.846 1.00 63.14 H new ATOM 0 HG21 ILE A 28 -11.560 -7.568 8.592 1.00 11.25 H new ATOM 0 HG22 ILE A 28 -12.858 -7.342 9.789 1.00 11.25 H new ATOM 0 HG23 ILE A 28 -11.155 -7.248 10.295 1.00 11.25 H new ATOM 0 HD11 ILE A 28 -9.021 -10.087 8.083 1.00 55.10 H new ATOM 0 HD12 ILE A 28 -10.709 -10.106 7.519 1.00 55.10 H new ATOM 0 HD13 ILE A 28 -9.946 -8.569 7.992 1.00 55.10 H new ATOM 455 N PHE A 29 -11.071 -11.468 12.134 1.00 63.33 N ATOM 456 CA PHE A 29 -10.879 -12.883 12.433 1.00 14.41 C ATOM 457 C PHE A 29 -11.161 -13.170 13.905 1.00 51.01 C ATOM 458 O PHE A 29 -11.207 -14.326 14.326 1.00 15.03 O ATOM 459 CB PHE A 29 -9.453 -13.312 12.082 1.00 53.41 C ATOM 460 CG PHE A 29 -9.288 -14.799 11.957 1.00 33.33 C ATOM 461 CD1 PHE A 29 -9.510 -15.435 10.746 1.00 30.35 C ATOM 462 CD2 PHE A 29 -8.912 -15.562 13.051 1.00 11.13 C ATOM 463 CE1 PHE A 29 -9.359 -16.804 10.628 1.00 22.13 C ATOM 464 CE2 PHE A 29 -8.759 -16.931 12.939 1.00 1.10 C ATOM 465 CZ PHE A 29 -8.984 -17.553 11.726 1.00 3.14 C ATOM 0 H PHE A 29 -10.265 -10.879 12.345 1.00 63.33 H new ATOM 0 HA PHE A 29 -11.582 -13.455 11.828 1.00 14.41 H new ATOM 0 HB2 PHE A 29 -9.162 -12.842 11.143 1.00 53.41 H new ATOM 0 HB3 PHE A 29 -8.772 -12.942 12.848 1.00 53.41 H new ATOM 0 HD1 PHE A 29 -9.804 -14.854 9.884 1.00 30.35 H new ATOM 0 HD2 PHE A 29 -8.737 -15.081 14.002 1.00 11.13 H new ATOM 0 HE1 PHE A 29 -9.534 -17.287 9.678 1.00 22.13 H new ATOM 0 HE2 PHE A 29 -8.464 -17.514 13.799 1.00 1.10 H new ATOM 0 HZ PHE A 29 -8.867 -18.623 11.637 1.00 3.14 H new ATOM 475 N LYS A 30 -11.348 -12.109 14.683 1.00 30.53 N ATOM 476 CA LYS A 30 -11.626 -12.245 16.108 1.00 21.12 C ATOM 477 C LYS A 30 -12.822 -13.162 16.345 1.00 41.25 C ATOM 478 O LYS A 30 -12.914 -13.822 17.379 1.00 1.42 O ATOM 479 CB LYS A 30 -11.892 -10.872 16.730 1.00 65.11 C ATOM 480 CG LYS A 30 -11.967 -10.895 18.247 1.00 65.53 C ATOM 481 CD LYS A 30 -11.895 -9.494 18.830 1.00 33.32 C ATOM 482 CE LYS A 30 -10.457 -9.070 19.088 1.00 75.23 C ATOM 483 NZ LYS A 30 -9.826 -8.484 17.873 1.00 13.42 N ATOM 0 H LYS A 30 -11.312 -11.145 14.351 1.00 30.53 H new ATOM 0 HA LYS A 30 -10.751 -12.689 16.582 1.00 21.12 H new ATOM 0 HB2 LYS A 30 -11.103 -10.185 16.424 1.00 65.11 H new ATOM 0 HB3 LYS A 30 -12.828 -10.479 16.334 1.00 65.11 H new ATOM 0 HG2 LYS A 30 -12.896 -11.373 18.559 1.00 65.53 H new ATOM 0 HG3 LYS A 30 -11.150 -11.498 18.644 1.00 65.53 H new ATOM 0 HD2 LYS A 30 -12.366 -8.789 18.145 1.00 33.32 H new ATOM 0 HD3 LYS A 30 -12.459 -9.457 19.762 1.00 33.32 H new ATOM 0 HE2 LYS A 30 -10.433 -8.341 19.898 1.00 75.23 H new ATOM 0 HE3 LYS A 30 -9.878 -9.932 19.418 1.00 75.23 H new ATOM 0 HZ1 LYS A 30 -9.114 -7.781 18.156 1.00 13.42 H new ATOM 0 HZ2 LYS A 30 -9.368 -9.238 17.322 1.00 13.42 H new ATOM 0 HZ3 LYS A 30 -10.555 -8.023 17.291 1.00 13.42 H new ATOM 497 N GLN A 31 -13.734 -13.198 15.378 1.00 22.23 N ATOM 498 CA GLN A 31 -14.923 -14.035 15.482 1.00 32.34 C ATOM 499 C GLN A 31 -14.544 -15.493 15.722 1.00 2.24 C ATOM 500 O GLN A 31 -15.257 -16.225 16.408 1.00 22.23 O ATOM 501 CB GLN A 31 -15.768 -13.918 14.212 1.00 23.23 C ATOM 502 CG GLN A 31 -15.060 -14.417 12.963 1.00 62.21 C ATOM 503 CD GLN A 31 -15.930 -14.330 11.725 1.00 74.31 C ATOM 504 OE1 GLN A 31 -16.894 -15.082 11.576 1.00 55.42 O ATOM 505 NE2 GLN A 31 -15.595 -13.410 10.828 1.00 23.22 N ATOM 0 H GLN A 31 -13.672 -12.658 14.515 1.00 22.23 H new ATOM 0 HA GLN A 31 -15.508 -13.686 16.333 1.00 32.34 H new ATOM 0 HB2 GLN A 31 -16.691 -14.482 14.346 1.00 23.23 H new ATOM 0 HB3 GLN A 31 -16.050 -12.875 14.068 1.00 23.23 H new ATOM 0 HG2 GLN A 31 -14.153 -13.833 12.807 1.00 62.21 H new ATOM 0 HG3 GLN A 31 -14.752 -15.452 13.114 1.00 62.21 H new ATOM 0 HE21 GLN A 31 -14.788 -12.808 10.992 1.00 23.22 H new ATOM 0 HE22 GLN A 31 -16.145 -13.305 9.975 1.00 23.22 H new ATOM 514 N SER A 32 -13.417 -15.907 15.152 1.00 22.45 N ATOM 515 CA SER A 32 -12.945 -17.279 15.301 1.00 24.01 C ATOM 516 C SER A 32 -12.280 -17.481 16.660 1.00 51.45 C ATOM 517 O SER A 32 -12.441 -18.524 17.293 1.00 24.24 O ATOM 518 CB SER A 32 -11.960 -17.626 14.183 1.00 52.15 C ATOM 519 OG SER A 32 -11.416 -18.922 14.365 1.00 14.45 O ATOM 0 H SER A 32 -12.814 -15.313 14.583 1.00 22.45 H new ATOM 0 HA SER A 32 -13.807 -17.942 15.236 1.00 24.01 H new ATOM 0 HB2 SER A 32 -12.466 -17.573 13.219 1.00 52.15 H new ATOM 0 HB3 SER A 32 -11.156 -16.891 14.162 1.00 52.15 H new ATOM 0 HG SER A 32 -10.791 -19.120 13.637 1.00 14.45 H new ATOM 525 N HIS A 33 -11.533 -16.474 17.101 1.00 44.11 N ATOM 526 CA HIS A 33 -10.843 -16.539 18.385 1.00 72.14 C ATOM 527 C HIS A 33 -11.730 -16.004 19.505 1.00 23.12 C ATOM 528 O HIS A 33 -11.614 -14.844 19.901 1.00 45.32 O ATOM 529 CB HIS A 33 -9.538 -15.745 18.327 1.00 11.44 C ATOM 530 CG HIS A 33 -8.492 -16.243 19.276 1.00 4.20 C ATOM 531 ND1 HIS A 33 -7.161 -15.893 19.180 1.00 32.12 N ATOM 532 CD2 HIS A 33 -8.586 -17.068 20.345 1.00 12.41 C ATOM 533 CE1 HIS A 33 -6.482 -16.483 20.148 1.00 14.41 C ATOM 534 NE2 HIS A 33 -7.324 -17.201 20.870 1.00 51.25 N ATOM 0 H HIS A 33 -11.390 -15.604 16.589 1.00 44.11 H new ATOM 0 HA HIS A 33 -10.614 -17.584 18.595 1.00 72.14 H new ATOM 0 HB2 HIS A 33 -9.144 -15.783 17.312 1.00 11.44 H new ATOM 0 HB3 HIS A 33 -9.749 -14.699 18.548 1.00 11.44 H new ATOM 0 HD2 HIS A 33 -9.486 -17.535 20.716 1.00 12.41 H new ATOM 0 HE1 HIS A 33 -5.420 -16.394 20.320 1.00 14.41 H new ATOM 0 HE2 HIS A 33 -7.077 -17.763 21.685 1.00 51.25 H new TER 542 HIS A 33