USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 389 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 1 MET N :NH3+ -173:sc= 0.418 (180deg=-0.0351) USER MOD Set 1.2: A 22 THR OG1 : rot 116:sc= 0.368 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 4 THR OG1 : rot -40:sc= 0.00367 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 1:sc= -2.49! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.696 K(o=-0.7,f=-0.12) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0382) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.446 1.377 -4.817 1.00 0.00 N ATOM 2 CA MET A 1 -6.966 0.385 -3.833 1.00 0.00 C ATOM 3 C MET A 1 -5.861 -0.102 -2.894 1.00 0.00 C ATOM 4 O MET A 1 -4.676 0.134 -3.140 1.00 0.00 O ATOM 5 CB MET A 1 -7.565 -0.804 -4.596 1.00 0.00 C ATOM 6 CG MET A 1 -8.896 -0.497 -5.267 1.00 0.00 C ATOM 7 SD MET A 1 -10.303 -1.163 -4.355 1.00 0.00 S ATOM 8 CE MET A 1 -11.395 -1.623 -5.700 1.00 0.00 C ATOM 0 H1 MET A 1 -7.238 1.776 -5.360 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.953 2.141 -4.312 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.783 0.907 -5.466 1.00 0.00 H new ATOM 0 HA MET A 1 -7.731 0.866 -3.223 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.854 -1.132 -5.354 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.701 -1.636 -3.905 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.009 0.583 -5.364 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.894 -0.909 -6.276 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.311 -2.052 -5.294 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.638 -0.739 -6.290 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.901 -2.358 -6.335 1.00 0.00 H new ATOM 20 N ASN A 2 -6.261 -0.787 -1.821 1.00 0.00 N ATOM 21 CA ASN A 2 -5.306 -1.312 -0.849 1.00 0.00 C ATOM 22 C ASN A 2 -4.775 -2.675 -1.294 1.00 0.00 C ATOM 23 O ASN A 2 -5.545 -3.552 -1.692 1.00 0.00 O ATOM 24 CB ASN A 2 -5.947 -1.432 0.538 1.00 0.00 C ATOM 25 CG ASN A 2 -6.284 -0.083 1.147 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.407 0.626 1.642 1.00 0.00 O ATOM 27 ND2 ASN A 2 -7.562 0.280 1.120 1.00 0.00 N ATOM 0 H ASN A 2 -7.237 -0.990 -1.605 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.473 -0.611 -0.790 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.856 -2.029 0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -5.268 -1.966 1.202 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.847 1.175 1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.258 -0.336 0.701 1.00 0.00 H new ATOM 34 N VAL A 3 -3.457 -2.838 -1.218 1.00 0.00 N ATOM 35 CA VAL A 3 -2.804 -4.084 -1.604 1.00 0.00 C ATOM 36 C VAL A 3 -2.406 -4.896 -0.372 1.00 0.00 C ATOM 37 O VAL A 3 -1.961 -4.337 0.634 1.00 0.00 O ATOM 38 CB VAL A 3 -1.562 -3.830 -2.489 1.00 0.00 C ATOM 39 CG1 VAL A 3 -0.501 -3.035 -1.740 1.00 0.00 C ATOM 40 CG2 VAL A 3 -0.992 -5.146 -2.999 1.00 0.00 C ATOM 0 H VAL A 3 -2.816 -2.116 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.526 -4.655 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.877 -3.234 -3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.359 -2.873 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.913 -2.072 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.188 -3.589 -0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.118 -4.948 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.702 -5.769 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.747 -5.665 -3.590 1.00 0.00 H new ATOM 50 N THR A 4 -2.578 -6.216 -0.454 1.00 0.00 N ATOM 51 CA THR A 4 -2.241 -7.100 0.658 1.00 0.00 C ATOM 52 C THR A 4 -0.730 -7.259 0.768 1.00 0.00 C ATOM 53 O THR A 4 -0.086 -7.826 -0.118 1.00 0.00 O ATOM 54 CB THR A 4 -2.907 -8.468 0.478 1.00 0.00 C ATOM 55 OG1 THR A 4 -4.212 -8.328 -0.060 1.00 0.00 O ATOM 56 CG2 THR A 4 -3.031 -9.253 1.766 1.00 0.00 C ATOM 0 H THR A 4 -2.947 -6.693 -1.276 1.00 0.00 H new ATOM 0 HA THR A 4 -2.614 -6.653 1.579 1.00 0.00 H new ATOM 0 HB THR A 4 -2.253 -9.014 -0.202 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.656 -7.558 0.354 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.511 -10.210 1.564 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.039 -9.426 2.184 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.632 -8.689 2.479 1.00 0.00 H new ATOM 64 N VAL A 5 -0.173 -6.738 1.857 1.00 0.00 N ATOM 65 CA VAL A 5 1.265 -6.798 2.099 1.00 0.00 C ATOM 66 C VAL A 5 1.580 -7.575 3.379 1.00 0.00 C ATOM 67 O VAL A 5 0.901 -7.415 4.395 1.00 0.00 O ATOM 68 CB VAL A 5 1.876 -5.380 2.191 1.00 0.00 C ATOM 69 CG1 VAL A 5 1.758 -4.661 0.855 1.00 0.00 C ATOM 70 CG2 VAL A 5 1.208 -4.567 3.291 1.00 0.00 C ATOM 0 H VAL A 5 -0.700 -6.266 2.591 1.00 0.00 H new ATOM 0 HA VAL A 5 1.711 -7.320 1.252 1.00 0.00 H new ATOM 0 HB VAL A 5 2.932 -5.484 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.193 -3.665 0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.289 -5.226 0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.707 -4.576 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.657 -3.575 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.143 -4.475 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.345 -5.069 4.249 1.00 0.00 H new ATOM 80 N GLU A 6 2.612 -8.417 3.325 1.00 0.00 N ATOM 81 CA GLU A 6 3.011 -9.210 4.488 1.00 0.00 C ATOM 82 C GLU A 6 3.874 -8.375 5.431 1.00 0.00 C ATOM 83 O GLU A 6 4.982 -7.967 5.074 1.00 0.00 O ATOM 84 CB GLU A 6 3.768 -10.470 4.058 1.00 0.00 C ATOM 85 CG GLU A 6 4.041 -11.438 5.204 1.00 0.00 C ATOM 86 CD GLU A 6 4.403 -12.839 4.736 1.00 0.00 C ATOM 87 OE1 GLU A 6 3.905 -13.267 3.672 1.00 0.00 O ATOM 88 OE2 GLU A 6 5.189 -13.510 5.438 1.00 0.00 O ATOM 0 H GLU A 6 3.184 -8.567 2.494 1.00 0.00 H new ATOM 0 HA GLU A 6 2.107 -9.516 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.193 -10.984 3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.716 -10.178 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.853 -11.046 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.159 -11.492 5.842 1.00 0.00 H new ATOM 95 N VAL A 7 3.357 -8.124 6.633 1.00 0.00 N ATOM 96 CA VAL A 7 4.079 -7.334 7.627 1.00 0.00 C ATOM 97 C VAL A 7 4.771 -8.235 8.648 1.00 0.00 C ATOM 98 O VAL A 7 4.175 -9.185 9.159 1.00 0.00 O ATOM 99 CB VAL A 7 3.138 -6.345 8.354 1.00 0.00 C ATOM 100 CG1 VAL A 7 2.032 -7.082 9.093 1.00 0.00 C ATOM 101 CG2 VAL A 7 3.923 -5.450 9.302 1.00 0.00 C ATOM 0 H VAL A 7 2.443 -8.456 6.941 1.00 0.00 H new ATOM 0 HA VAL A 7 4.837 -6.761 7.093 1.00 0.00 H new ATOM 0 HB VAL A 7 2.670 -5.712 7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.386 -6.361 9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.444 -7.663 8.382 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.472 -7.751 9.833 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.241 -4.763 9.802 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.430 -6.064 10.046 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.662 -4.881 8.737 1.00 0.00 H new ATOM 111 N VAL A 8 6.037 -7.932 8.937 1.00 0.00 N ATOM 112 CA VAL A 8 6.813 -8.718 9.898 1.00 0.00 C ATOM 113 C VAL A 8 6.179 -8.656 11.290 1.00 0.00 C ATOM 114 O VAL A 8 6.022 -7.574 11.862 1.00 0.00 O ATOM 115 CB VAL A 8 8.279 -8.234 9.986 1.00 0.00 C ATOM 116 CG1 VAL A 8 9.113 -9.180 10.840 1.00 0.00 C ATOM 117 CG2 VAL A 8 8.890 -8.092 8.597 1.00 0.00 C ATOM 0 H VAL A 8 6.546 -7.151 8.522 1.00 0.00 H new ATOM 0 HA VAL A 8 6.809 -9.747 9.540 1.00 0.00 H new ATOM 0 HB VAL A 8 8.279 -7.253 10.461 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.140 -8.818 10.887 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.697 -9.223 11.847 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.099 -10.177 10.399 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.921 -7.750 8.686 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.870 -9.057 8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.316 -7.367 8.020 1.00 0.00 H new ATOM 127 N GLY A 9 5.812 -9.822 11.824 1.00 0.00 N ATOM 128 CA GLY A 9 5.194 -9.885 13.140 1.00 0.00 C ATOM 129 C GLY A 9 3.689 -10.079 13.066 1.00 0.00 C ATOM 130 O GLY A 9 3.152 -11.028 13.639 1.00 0.00 O ATOM 0 H GLY A 9 5.932 -10.726 11.367 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.636 -10.705 13.707 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.413 -8.967 13.685 1.00 0.00 H new ATOM 134 N GLU A 10 3.010 -9.179 12.355 1.00 0.00 N ATOM 135 CA GLU A 10 1.557 -9.251 12.196 1.00 0.00 C ATOM 136 C GLU A 10 1.175 -10.245 11.095 1.00 0.00 C ATOM 137 O GLU A 10 2.014 -10.628 10.277 1.00 0.00 O ATOM 138 CB GLU A 10 0.992 -7.865 11.870 1.00 0.00 C ATOM 139 CG GLU A 10 0.013 -7.341 12.906 1.00 0.00 C ATOM 140 CD GLU A 10 -1.407 -7.280 12.379 1.00 0.00 C ATOM 141 OE1 GLU A 10 -1.770 -6.250 11.770 1.00 0.00 O ATOM 142 OE2 GLU A 10 -2.155 -8.262 12.569 1.00 0.00 O ATOM 0 H GLU A 10 3.444 -8.389 11.878 1.00 0.00 H new ATOM 0 HA GLU A 10 1.129 -9.599 13.136 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.818 -7.160 11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.494 -7.905 10.901 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.043 -7.981 13.788 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.323 -6.346 13.224 1.00 0.00 H new ATOM 149 N GLU A 11 -0.094 -10.660 11.078 1.00 0.00 N ATOM 150 CA GLU A 11 -0.581 -11.610 10.076 1.00 0.00 C ATOM 151 C GLU A 11 -0.586 -10.980 8.679 1.00 0.00 C ATOM 152 O GLU A 11 0.346 -11.180 7.899 1.00 0.00 O ATOM 153 CB GLU A 11 -1.986 -12.109 10.438 1.00 0.00 C ATOM 154 CG GLU A 11 -2.010 -13.112 11.584 1.00 0.00 C ATOM 155 CD GLU A 11 -3.106 -14.156 11.442 1.00 0.00 C ATOM 156 OE1 GLU A 11 -4.213 -13.803 10.979 1.00 0.00 O ATOM 157 OE2 GLU A 11 -2.858 -15.325 11.801 1.00 0.00 O ATOM 0 H GLU A 11 -0.802 -10.353 11.746 1.00 0.00 H new ATOM 0 HA GLU A 11 0.099 -12.462 10.066 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.607 -11.254 10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.436 -12.568 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.044 -13.614 11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.146 -12.577 12.524 1.00 0.00 H new ATOM 164 N THR A 12 -1.641 -10.225 8.366 1.00 0.00 N ATOM 165 CA THR A 12 -1.767 -9.576 7.062 1.00 0.00 C ATOM 166 C THR A 12 -2.054 -8.080 7.218 1.00 0.00 C ATOM 167 O THR A 12 -2.905 -7.688 8.017 1.00 0.00 O ATOM 168 CB THR A 12 -2.884 -10.235 6.244 1.00 0.00 C ATOM 169 OG1 THR A 12 -2.837 -11.648 6.365 1.00 0.00 O ATOM 170 CG2 THR A 12 -2.823 -9.903 4.770 1.00 0.00 C ATOM 0 H THR A 12 -2.421 -10.049 8.999 1.00 0.00 H new ATOM 0 HA THR A 12 -0.819 -9.694 6.536 1.00 0.00 H new ATOM 0 HB THR A 12 -3.811 -9.835 6.655 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.560 -12.046 5.836 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.641 -10.401 4.251 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.911 -8.825 4.636 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.872 -10.243 4.359 1.00 0.00 H new ATOM 178 N SER A 13 -1.353 -7.254 6.437 1.00 0.00 N ATOM 179 CA SER A 13 -1.553 -5.806 6.483 1.00 0.00 C ATOM 180 C SER A 13 -1.981 -5.281 5.112 1.00 0.00 C ATOM 181 O SER A 13 -1.591 -5.827 4.078 1.00 0.00 O ATOM 182 CB SER A 13 -0.282 -5.091 6.960 1.00 0.00 C ATOM 183 OG SER A 13 0.853 -5.493 6.215 1.00 0.00 O ATOM 0 H SER A 13 -0.646 -7.562 5.769 1.00 0.00 H new ATOM 0 HA SER A 13 -2.348 -5.596 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.414 -4.013 6.869 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.119 -5.304 8.016 1.00 0.00 H new ATOM 0 HG SER A 13 0.583 -6.144 5.534 1.00 0.00 H new ATOM 189 N GLU A 14 -2.798 -4.226 5.114 1.00 0.00 N ATOM 190 CA GLU A 14 -3.298 -3.631 3.876 1.00 0.00 C ATOM 191 C GLU A 14 -2.806 -2.194 3.719 1.00 0.00 C ATOM 192 O GLU A 14 -2.944 -1.379 4.634 1.00 0.00 O ATOM 193 CB GLU A 14 -4.830 -3.669 3.856 1.00 0.00 C ATOM 194 CG GLU A 14 -5.412 -5.059 4.084 1.00 0.00 C ATOM 195 CD GLU A 14 -5.796 -5.760 2.791 1.00 0.00 C ATOM 196 OE1 GLU A 14 -4.983 -5.746 1.840 1.00 0.00 O ATOM 197 OE2 GLU A 14 -6.907 -6.325 2.733 1.00 0.00 O ATOM 0 H GLU A 14 -3.127 -3.766 5.963 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.914 -4.214 3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.211 -2.995 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.181 -3.291 2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.684 -5.669 4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.292 -4.979 4.723 1.00 0.00 H new ATOM 204 N VAL A 15 -2.233 -1.889 2.556 1.00 0.00 N ATOM 205 CA VAL A 15 -1.718 -0.549 2.276 1.00 0.00 C ATOM 206 C VAL A 15 -2.189 -0.056 0.905 1.00 0.00 C ATOM 207 O VAL A 15 -2.333 -0.841 -0.030 1.00 0.00 O ATOM 208 CB VAL A 15 -0.171 -0.515 2.348 1.00 0.00 C ATOM 209 CG1 VAL A 15 0.452 -1.443 1.313 1.00 0.00 C ATOM 210 CG2 VAL A 15 0.353 0.905 2.184 1.00 0.00 C ATOM 0 H VAL A 15 -2.113 -2.553 1.791 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.113 0.118 3.042 1.00 0.00 H new ATOM 0 HB VAL A 15 0.120 -0.872 3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.538 -1.396 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.119 -2.465 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.145 -1.133 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.442 0.900 2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.040 1.299 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.047 1.535 2.979 1.00 0.00 H new ATOM 220 N ALA A 16 -2.426 1.250 0.796 1.00 0.00 N ATOM 221 CA ALA A 16 -2.883 1.846 -0.454 1.00 0.00 C ATOM 222 C ALA A 16 -1.705 2.150 -1.374 1.00 0.00 C ATOM 223 O ALA A 16 -0.658 2.623 -0.925 1.00 0.00 O ATOM 224 CB ALA A 16 -3.681 3.111 -0.176 1.00 0.00 C ATOM 0 H ALA A 16 -2.308 1.915 1.560 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.530 1.128 -0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.015 3.545 -1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.547 2.867 0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.053 3.829 0.351 1.00 0.00 H new ATOM 230 N VAL A 17 -1.887 1.862 -2.660 1.00 0.00 N ATOM 231 CA VAL A 17 -0.840 2.084 -3.663 1.00 0.00 C ATOM 232 C VAL A 17 -1.252 3.120 -4.712 1.00 0.00 C ATOM 233 O VAL A 17 -2.439 3.399 -4.893 1.00 0.00 O ATOM 234 CB VAL A 17 -0.461 0.771 -4.381 1.00 0.00 C ATOM 235 CG1 VAL A 17 0.387 -0.109 -3.473 1.00 0.00 C ATOM 236 CG2 VAL A 17 -1.709 0.028 -4.850 1.00 0.00 C ATOM 0 H VAL A 17 -2.751 1.473 -3.037 1.00 0.00 H new ATOM 0 HA VAL A 17 0.023 2.465 -3.117 1.00 0.00 H new ATOM 0 HB VAL A 17 0.130 1.021 -5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.645 -1.030 -3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.300 0.421 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.175 -0.349 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.416 -0.894 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.335 -0.211 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.268 0.657 -5.542 1.00 0.00 H new ATOM 246 N ASP A 18 -0.251 3.684 -5.398 1.00 0.00 N ATOM 247 CA ASP A 18 -0.487 4.693 -6.433 1.00 0.00 C ATOM 248 C ASP A 18 -0.451 4.089 -7.844 1.00 0.00 C ATOM 249 O ASP A 18 -1.026 4.657 -8.776 1.00 0.00 O ATOM 250 CB ASP A 18 0.542 5.824 -6.317 1.00 0.00 C ATOM 251 CG ASP A 18 0.053 7.124 -6.933 1.00 0.00 C ATOM 252 OD1 ASP A 18 0.041 7.230 -8.176 1.00 0.00 O ATOM 253 OD2 ASP A 18 -0.307 8.044 -6.167 1.00 0.00 O ATOM 0 H ASP A 18 0.733 3.457 -5.253 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.487 5.096 -6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.777 5.990 -5.266 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.467 5.520 -6.806 1.00 0.00 H new ATOM 258 N ASP A 19 0.217 2.944 -7.999 1.00 0.00 N ATOM 259 CA ASP A 19 0.313 2.279 -9.304 1.00 0.00 C ATOM 260 C ASP A 19 -1.070 1.902 -9.855 1.00 0.00 C ATOM 261 O ASP A 19 -1.240 1.762 -11.067 1.00 0.00 O ATOM 262 CB ASP A 19 1.188 1.023 -9.211 1.00 0.00 C ATOM 263 CG ASP A 19 2.345 1.044 -10.194 1.00 0.00 C ATOM 264 OD1 ASP A 19 2.093 1.187 -11.409 1.00 0.00 O ATOM 265 OD2 ASP A 19 3.505 0.918 -9.749 1.00 0.00 O ATOM 0 H ASP A 19 0.698 2.458 -7.242 1.00 0.00 H new ATOM 0 HA ASP A 19 0.773 2.990 -9.991 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.579 0.931 -8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.574 0.142 -9.397 1.00 0.00 H new ATOM 270 N ASP A 20 -2.049 1.728 -8.960 1.00 0.00 N ATOM 271 CA ASP A 20 -3.411 1.353 -9.353 1.00 0.00 C ATOM 272 C ASP A 20 -4.069 2.412 -10.241 1.00 0.00 C ATOM 273 O ASP A 20 -4.449 2.130 -11.378 1.00 0.00 O ATOM 274 CB ASP A 20 -4.272 1.119 -8.104 1.00 0.00 C ATOM 275 CG ASP A 20 -5.264 -0.023 -8.261 1.00 0.00 C ATOM 276 OD1 ASP A 20 -5.619 -0.364 -9.410 1.00 0.00 O ATOM 277 OD2 ASP A 20 -5.692 -0.574 -7.225 1.00 0.00 O ATOM 0 H ASP A 20 -1.922 1.842 -7.954 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.339 0.433 -9.933 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.620 0.910 -7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.816 2.034 -7.870 1.00 0.00 H new ATOM 282 N GLY A 21 -4.212 3.626 -9.707 1.00 0.00 N ATOM 283 CA GLY A 21 -4.837 4.706 -10.460 1.00 0.00 C ATOM 284 C GLY A 21 -6.359 4.707 -10.343 1.00 0.00 C ATOM 285 O GLY A 21 -7.051 5.191 -11.243 1.00 0.00 O ATOM 0 H GLY A 21 -3.907 3.881 -8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.450 5.661 -10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.558 4.619 -11.510 1.00 0.00 H new ATOM 289 N THR A 22 -6.881 4.165 -9.239 1.00 0.00 N ATOM 290 CA THR A 22 -8.330 4.102 -9.013 1.00 0.00 C ATOM 291 C THR A 22 -8.835 5.352 -8.281 1.00 0.00 C ATOM 292 O THR A 22 -8.052 6.239 -7.936 1.00 0.00 O ATOM 293 CB THR A 22 -8.692 2.841 -8.213 1.00 0.00 C ATOM 294 OG1 THR A 22 -7.960 2.780 -6.998 1.00 0.00 O ATOM 295 CG2 THR A 22 -8.436 1.552 -8.970 1.00 0.00 C ATOM 0 H THR A 22 -6.322 3.763 -8.486 1.00 0.00 H new ATOM 0 HA THR A 22 -8.818 4.059 -9.987 1.00 0.00 H new ATOM 0 HB THR A 22 -9.762 2.925 -8.022 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.579 2.836 -6.240 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.714 0.702 -8.346 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.031 1.542 -9.883 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.379 1.484 -9.226 1.00 0.00 H new ATOM 303 N TYR A 23 -10.155 5.418 -8.045 1.00 0.00 N ATOM 304 CA TYR A 23 -10.760 6.561 -7.351 1.00 0.00 C ATOM 305 C TYR A 23 -10.157 6.734 -5.959 1.00 0.00 C ATOM 306 O TYR A 23 -9.893 7.858 -5.523 1.00 0.00 O ATOM 307 CB TYR A 23 -12.281 6.390 -7.242 1.00 0.00 C ATOM 308 CG TYR A 23 -13.060 7.671 -7.465 1.00 0.00 C ATOM 309 CD1 TYR A 23 -12.949 8.740 -6.581 1.00 0.00 C ATOM 310 CD2 TYR A 23 -13.908 7.811 -8.556 1.00 0.00 C ATOM 311 CE1 TYR A 23 -13.661 9.909 -6.780 1.00 0.00 C ATOM 312 CE2 TYR A 23 -14.622 8.977 -8.762 1.00 0.00 C ATOM 313 CZ TYR A 23 -14.496 10.022 -7.871 1.00 0.00 C ATOM 314 OH TYR A 23 -15.205 11.184 -8.075 1.00 0.00 O ATOM 0 H TYR A 23 -10.819 4.696 -8.324 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.548 7.455 -7.938 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -12.606 5.647 -7.970 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -12.523 5.996 -6.255 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -12.296 8.655 -5.725 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -14.012 6.995 -9.256 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -13.563 10.729 -6.084 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -15.275 9.069 -9.617 1.00 0.00 H new ATOM 0 HH TYR A 23 -15.744 11.099 -8.889 1.00 0.00 H new ATOM 324 N ALA A 24 -9.923 5.616 -5.270 1.00 0.00 N ATOM 325 CA ALA A 24 -9.327 5.644 -3.936 1.00 0.00 C ATOM 326 C ALA A 24 -7.900 6.182 -3.996 1.00 0.00 C ATOM 327 O ALA A 24 -7.453 6.879 -3.085 1.00 0.00 O ATOM 328 CB ALA A 24 -9.346 4.258 -3.307 1.00 0.00 C ATOM 0 H ALA A 24 -10.138 4.680 -5.615 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.922 6.311 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.897 4.303 -2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.376 3.910 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.778 3.567 -3.931 1.00 0.00 H new ATOM 334 N ASP A 25 -7.191 5.851 -5.079 1.00 0.00 N ATOM 335 CA ASP A 25 -5.816 6.303 -5.268 1.00 0.00 C ATOM 336 C ASP A 25 -5.729 7.830 -5.292 1.00 0.00 C ATOM 337 O ASP A 25 -4.782 8.405 -4.763 1.00 0.00 O ATOM 338 CB ASP A 25 -5.233 5.731 -6.568 1.00 0.00 C ATOM 339 CG ASP A 25 -3.806 6.189 -6.810 1.00 0.00 C ATOM 340 OD1 ASP A 25 -3.057 6.342 -5.824 1.00 0.00 O ATOM 341 OD2 ASP A 25 -3.441 6.402 -7.984 1.00 0.00 O ATOM 0 H ASP A 25 -7.550 5.271 -5.837 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.233 5.938 -4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.261 4.642 -6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.857 6.035 -7.408 1.00 0.00 H new ATOM 346 N LEU A 26 -6.720 8.485 -5.901 1.00 0.00 N ATOM 347 CA LEU A 26 -6.731 9.947 -5.983 1.00 0.00 C ATOM 348 C LEU A 26 -6.628 10.567 -4.589 1.00 0.00 C ATOM 349 O LEU A 26 -5.914 11.551 -4.393 1.00 0.00 O ATOM 350 CB LEU A 26 -8.002 10.438 -6.687 1.00 0.00 C ATOM 351 CG LEU A 26 -7.921 11.858 -7.258 1.00 0.00 C ATOM 352 CD1 LEU A 26 -7.616 11.820 -8.749 1.00 0.00 C ATOM 353 CD2 LEU A 26 -9.218 12.608 -6.990 1.00 0.00 C ATOM 0 H LEU A 26 -7.520 8.030 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.866 10.260 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.238 9.750 -7.498 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.830 10.394 -5.980 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.108 12.387 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.563 12.838 -9.136 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.662 11.319 -8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.405 11.276 -9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.147 13.615 -7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.047 12.081 -7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.390 12.666 -5.915 1.00 0.00 H new ATOM 365 N VAL A 27 -7.333 9.973 -3.627 1.00 0.00 N ATOM 366 CA VAL A 27 -7.313 10.454 -2.247 1.00 0.00 C ATOM 367 C VAL A 27 -5.967 10.159 -1.579 1.00 0.00 C ATOM 368 O VAL A 27 -5.348 11.048 -0.990 1.00 0.00 O ATOM 369 CB VAL A 27 -8.447 9.816 -1.411 1.00 0.00 C ATOM 370 CG1 VAL A 27 -8.509 10.438 -0.022 1.00 0.00 C ATOM 371 CG2 VAL A 27 -9.788 9.956 -2.121 1.00 0.00 C ATOM 0 H VAL A 27 -7.926 9.157 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.465 11.533 -2.285 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.229 8.754 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.314 9.974 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.561 10.277 0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.697 11.508 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.570 9.500 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.013 11.012 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.741 9.456 -3.088 1.00 0.00 H new ATOM 381 N ARG A 28 -5.523 8.902 -1.671 1.00 0.00 N ATOM 382 CA ARG A 28 -4.253 8.480 -1.075 1.00 0.00 C ATOM 383 C ARG A 28 -3.064 9.210 -1.708 1.00 0.00 C ATOM 384 O ARG A 28 -2.091 9.527 -1.021 1.00 0.00 O ATOM 385 CB ARG A 28 -4.078 6.960 -1.205 1.00 0.00 C ATOM 386 CG ARG A 28 -5.071 6.153 -0.375 1.00 0.00 C ATOM 387 CD ARG A 28 -4.788 6.270 1.117 1.00 0.00 C ATOM 388 NE ARG A 28 -6.019 6.358 1.907 1.00 0.00 N ATOM 389 CZ ARG A 28 -6.768 5.304 2.253 1.00 0.00 C ATOM 390 NH1 ARG A 28 -6.413 4.071 1.896 1.00 0.00 N ATOM 391 NH2 ARG A 28 -7.878 5.486 2.963 1.00 0.00 N ATOM 0 H ARG A 28 -6.026 8.158 -2.154 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.280 8.743 -0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.183 6.680 -2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.065 6.693 -0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.084 6.500 -0.581 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.026 5.105 -0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.209 5.407 1.444 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.176 7.153 1.301 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.325 7.282 2.213 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.562 3.922 1.353 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.992 3.275 2.165 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.156 6.427 3.242 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.451 4.685 3.228 1.00 0.00 H new ATOM 405 N ALA A 29 -3.149 9.475 -3.017 1.00 0.00 N ATOM 406 CA ALA A 29 -2.084 10.174 -3.747 1.00 0.00 C ATOM 407 C ALA A 29 -1.732 11.522 -3.105 1.00 0.00 C ATOM 408 O ALA A 29 -0.615 12.016 -3.265 1.00 0.00 O ATOM 409 CB ALA A 29 -2.482 10.375 -5.203 1.00 0.00 C ATOM 0 H ALA A 29 -3.948 9.215 -3.595 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.194 9.546 -3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.682 10.895 -5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.655 9.405 -5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.395 10.969 -5.252 1.00 0.00 H new ATOM 415 N VAL A 30 -2.686 12.112 -2.377 1.00 0.00 N ATOM 416 CA VAL A 30 -2.469 13.398 -1.709 1.00 0.00 C ATOM 417 C VAL A 30 -1.820 13.211 -0.325 1.00 0.00 C ATOM 418 O VAL A 30 -1.929 14.080 0.541 1.00 0.00 O ATOM 419 CB VAL A 30 -3.805 14.169 -1.556 1.00 0.00 C ATOM 420 CG1 VAL A 30 -3.561 15.620 -1.162 1.00 0.00 C ATOM 421 CG2 VAL A 30 -4.622 14.093 -2.840 1.00 0.00 C ATOM 0 H VAL A 30 -3.616 11.718 -2.236 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.789 13.977 -2.334 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.374 13.694 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.516 16.135 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.029 15.654 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.963 16.110 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.555 14.641 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.054 14.533 -3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.842 13.051 -3.070 1.00 0.00 H new ATOM 431 N ASP A 31 -1.148 12.067 -0.123 1.00 0.00 N ATOM 432 CA ASP A 31 -0.488 11.755 1.148 1.00 0.00 C ATOM 433 C ASP A 31 -1.511 11.620 2.278 1.00 0.00 C ATOM 434 O ASP A 31 -1.345 12.188 3.361 1.00 0.00 O ATOM 435 CB ASP A 31 0.567 12.815 1.494 1.00 0.00 C ATOM 436 CG ASP A 31 1.917 12.507 0.877 1.00 0.00 C ATOM 437 OD1 ASP A 31 2.634 11.637 1.417 1.00 0.00 O ATOM 438 OD2 ASP A 31 2.258 13.133 -0.149 1.00 0.00 O ATOM 0 H ASP A 31 -1.049 11.340 -0.831 1.00 0.00 H new ATOM 0 HA ASP A 31 0.019 10.797 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.226 13.790 1.147 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.672 12.880 2.577 1.00 0.00 H new ATOM 443 N LEU A 32 -2.572 10.853 2.016 1.00 0.00 N ATOM 444 CA LEU A 32 -3.627 10.627 3.003 1.00 0.00 C ATOM 445 C LEU A 32 -3.695 9.150 3.404 1.00 0.00 C ATOM 446 O LEU A 32 -4.780 8.601 3.612 1.00 0.00 O ATOM 447 CB LEU A 32 -4.982 11.082 2.443 1.00 0.00 C ATOM 448 CG LEU A 32 -5.349 12.544 2.712 1.00 0.00 C ATOM 449 CD1 LEU A 32 -4.395 13.483 1.991 1.00 0.00 C ATOM 450 CD2 LEU A 32 -6.786 12.816 2.290 1.00 0.00 C ATOM 0 H LEU A 32 -2.722 10.378 1.126 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.392 11.213 3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.984 10.917 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.761 10.447 2.864 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.260 12.727 3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.676 14.516 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.378 13.307 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.447 13.300 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.032 13.859 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.897 12.612 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.459 12.171 2.855 1.00 0.00 H new ATOM 462 N SER A 33 -2.530 8.507 3.518 1.00 0.00 N ATOM 463 CA SER A 33 -2.473 7.098 3.898 1.00 0.00 C ATOM 464 C SER A 33 -2.451 6.949 5.420 1.00 0.00 C ATOM 465 O SER A 33 -1.564 7.477 6.091 1.00 0.00 O ATOM 466 CB SER A 33 -1.247 6.422 3.278 1.00 0.00 C ATOM 467 OG SER A 33 -1.582 5.793 2.051 1.00 0.00 O ATOM 0 H SER A 33 -1.621 8.938 3.353 1.00 0.00 H new ATOM 0 HA SER A 33 -3.368 6.607 3.517 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.465 7.162 3.110 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.844 5.684 3.972 1.00 0.00 H new ATOM 0 HG SER A 33 -0.784 5.369 1.672 1.00 0.00 H new ATOM 473 N PRO A 34 -3.439 6.228 5.986 1.00 0.00 N ATOM 474 CA PRO A 34 -3.538 6.017 7.437 1.00 0.00 C ATOM 475 C PRO A 34 -2.509 5.016 7.969 1.00 0.00 C ATOM 476 O PRO A 34 -2.086 5.109 9.122 1.00 0.00 O ATOM 477 CB PRO A 34 -4.957 5.472 7.614 1.00 0.00 C ATOM 478 CG PRO A 34 -5.267 4.795 6.321 1.00 0.00 C ATOM 479 CD PRO A 34 -4.541 5.570 5.255 1.00 0.00 C ATOM 0 HA PRO A 34 -3.339 6.934 7.992 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.012 4.774 8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.666 6.274 7.821 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.939 3.756 6.338 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.341 4.788 6.133 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.165 4.914 4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.194 6.299 4.775 1.00 0.00 H new ATOM 487 N HIS A 35 -2.114 4.059 7.128 1.00 0.00 N ATOM 488 CA HIS A 35 -1.138 3.043 7.523 1.00 0.00 C ATOM 489 C HIS A 35 0.284 3.607 7.500 1.00 0.00 C ATOM 490 O HIS A 35 1.072 3.347 8.411 1.00 0.00 O ATOM 491 CB HIS A 35 -1.232 1.818 6.605 1.00 0.00 C ATOM 492 CG HIS A 35 -2.619 1.255 6.489 1.00 0.00 C ATOM 493 ND1 HIS A 35 -3.088 0.229 7.285 1.00 0.00 N ATOM 494 CD2 HIS A 35 -3.643 1.587 5.665 1.00 0.00 C ATOM 495 CE1 HIS A 35 -4.337 -0.046 6.954 1.00 0.00 C ATOM 496 NE2 HIS A 35 -4.698 0.762 5.974 1.00 0.00 N ATOM 0 H HIS A 35 -2.454 3.966 6.171 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.370 2.738 8.543 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.876 2.091 5.612 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.565 1.042 6.980 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.632 2.356 4.907 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.958 -0.804 7.408 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.611 0.772 5.520 1.00 0.00 H new ATOM 505 N GLU A 36 0.600 4.382 6.454 1.00 0.00 N ATOM 506 CA GLU A 36 1.921 4.997 6.300 1.00 0.00 C ATOM 507 C GLU A 36 3.043 3.983 6.552 1.00 0.00 C ATOM 508 O GLU A 36 3.748 4.050 7.562 1.00 0.00 O ATOM 509 CB GLU A 36 2.055 6.205 7.238 1.00 0.00 C ATOM 510 CG GLU A 36 2.613 7.450 6.561 1.00 0.00 C ATOM 511 CD GLU A 36 1.667 8.035 5.525 1.00 0.00 C ATOM 512 OE1 GLU A 36 1.570 7.464 4.418 1.00 0.00 O ATOM 513 OE2 GLU A 36 1.027 9.066 5.819 1.00 0.00 O ATOM 0 H GLU A 36 -0.049 4.598 5.697 1.00 0.00 H new ATOM 0 HA GLU A 36 2.017 5.341 5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.076 6.438 7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.703 5.935 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.826 8.205 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.560 7.203 6.082 1.00 0.00 H new ATOM 520 N VAL A 37 3.196 3.039 5.621 1.00 0.00 N ATOM 521 CA VAL A 37 4.221 1.998 5.732 1.00 0.00 C ATOM 522 C VAL A 37 5.084 1.924 4.470 1.00 0.00 C ATOM 523 O VAL A 37 4.647 2.310 3.384 1.00 0.00 O ATOM 524 CB VAL A 37 3.592 0.610 5.990 1.00 0.00 C ATOM 525 CG1 VAL A 37 3.102 0.500 7.426 1.00 0.00 C ATOM 526 CG2 VAL A 37 2.456 0.339 5.011 1.00 0.00 C ATOM 0 H VAL A 37 2.622 2.974 4.780 1.00 0.00 H new ATOM 0 HA VAL A 37 4.849 2.271 6.580 1.00 0.00 H new ATOM 0 HB VAL A 37 4.362 -0.145 5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.663 -0.485 7.586 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.941 0.639 8.108 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.351 1.267 7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.029 -0.644 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.685 1.101 5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.840 0.366 3.991 1.00 0.00 H new ATOM 536 N THR A 38 6.309 1.412 4.622 1.00 0.00 N ATOM 537 CA THR A 38 7.234 1.273 3.494 1.00 0.00 C ATOM 538 C THR A 38 6.981 -0.038 2.747 1.00 0.00 C ATOM 539 O THR A 38 6.748 -1.077 3.367 1.00 0.00 O ATOM 540 CB THR A 38 8.696 1.342 3.972 1.00 0.00 C ATOM 541 OG1 THR A 38 9.591 1.166 2.886 1.00 0.00 O ATOM 542 CG2 THR A 38 9.047 0.308 5.025 1.00 0.00 C ATOM 0 H THR A 38 6.682 1.087 5.514 1.00 0.00 H new ATOM 0 HA THR A 38 7.057 2.103 2.809 1.00 0.00 H new ATOM 0 HB THR A 38 8.797 2.332 4.417 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.514 1.215 3.212 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.093 0.420 5.311 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.414 0.451 5.901 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.887 -0.692 4.621 1.00 0.00 H new ATOM 550 N VAL A 39 7.020 0.022 1.416 1.00 0.00 N ATOM 551 CA VAL A 39 6.788 -1.159 0.587 1.00 0.00 C ATOM 552 C VAL A 39 8.072 -1.613 -0.113 1.00 0.00 C ATOM 553 O VAL A 39 8.763 -0.811 -0.744 1.00 0.00 O ATOM 554 CB VAL A 39 5.687 -0.903 -0.468 1.00 0.00 C ATOM 555 CG1 VAL A 39 4.347 -0.656 0.211 1.00 0.00 C ATOM 556 CG2 VAL A 39 6.055 0.266 -1.377 1.00 0.00 C ATOM 0 H VAL A 39 7.210 0.875 0.890 1.00 0.00 H new ATOM 0 HA VAL A 39 6.454 -1.952 1.257 1.00 0.00 H new ATOM 0 HB VAL A 39 5.602 -1.794 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.583 -0.478 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.073 -1.529 0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.424 0.215 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.262 0.422 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.178 1.168 -0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.988 0.044 -1.895 1.00 0.00 H new ATOM 566 N LEU A 40 8.382 -2.906 0.006 1.00 0.00 N ATOM 567 CA LEU A 40 9.579 -3.476 -0.608 1.00 0.00 C ATOM 568 C LEU A 40 9.217 -4.413 -1.757 1.00 0.00 C ATOM 569 O LEU A 40 8.268 -5.196 -1.655 1.00 0.00 O ATOM 570 CB LEU A 40 10.391 -4.255 0.430 1.00 0.00 C ATOM 571 CG LEU A 40 11.426 -3.443 1.213 1.00 0.00 C ATOM 572 CD1 LEU A 40 12.545 -2.966 0.299 1.00 0.00 C ATOM 573 CD2 LEU A 40 10.770 -2.263 1.917 1.00 0.00 C ATOM 0 H LEU A 40 7.817 -3.579 0.524 1.00 0.00 H new ATOM 0 HA LEU A 40 10.173 -2.649 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.699 -4.707 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.905 -5.071 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 40 11.860 -4.095 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.268 -2.391 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.041 -3.827 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.129 -2.337 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.525 -1.701 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.301 -1.613 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.013 -2.628 2.611 1.00 0.00 H new ATOM 585 N VAL A 41 9.996 -4.349 -2.837 1.00 0.00 N ATOM 586 CA VAL A 41 9.786 -5.201 -3.993 1.00 0.00 C ATOM 587 C VAL A 41 10.996 -6.105 -4.180 1.00 0.00 C ATOM 588 O VAL A 41 12.136 -5.644 -4.088 1.00 0.00 O ATOM 589 CB VAL A 41 9.577 -4.369 -5.278 1.00 0.00 C ATOM 590 CG1 VAL A 41 9.169 -5.259 -6.444 1.00 0.00 C ATOM 591 CG2 VAL A 41 8.544 -3.274 -5.050 1.00 0.00 C ATOM 0 H VAL A 41 10.784 -3.707 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 41 8.889 -5.794 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 41 10.526 -3.896 -5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.028 -4.648 -7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.950 -5.997 -6.629 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.237 -5.770 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.413 -2.701 -5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.593 -3.724 -4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.885 -2.612 -4.254 1.00 0.00 H new ATOM 601 N ASP A 42 10.752 -7.389 -4.437 1.00 0.00 N ATOM 602 CA ASP A 42 11.835 -8.342 -4.633 1.00 0.00 C ATOM 603 C ASP A 42 12.853 -7.764 -5.602 1.00 0.00 C ATOM 604 O ASP A 42 12.489 -7.408 -6.717 1.00 0.00 O ATOM 605 CB ASP A 42 11.273 -9.653 -5.176 1.00 0.00 C ATOM 606 CG ASP A 42 12.348 -10.670 -5.511 1.00 0.00 C ATOM 607 OD1 ASP A 42 13.331 -10.778 -4.744 1.00 0.00 O ATOM 608 OD2 ASP A 42 12.204 -11.363 -6.540 1.00 0.00 O ATOM 0 H ASP A 42 9.817 -7.789 -4.513 1.00 0.00 H new ATOM 0 HA ASP A 42 12.326 -8.537 -3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.593 -10.082 -4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.686 -9.446 -6.071 1.00 0.00 H new ATOM 613 N GLY A 43 14.107 -7.654 -5.144 1.00 0.00 N ATOM 614 CA GLY A 43 15.196 -7.088 -5.943 1.00 0.00 C ATOM 615 C GLY A 43 15.109 -7.366 -7.442 1.00 0.00 C ATOM 616 O GLY A 43 15.814 -8.237 -7.961 1.00 0.00 O ATOM 0 H GLY A 43 14.392 -7.955 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.216 -6.009 -5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.142 -7.481 -5.570 1.00 0.00 H new ATOM 759 N GLU A 53 -1.354 -2.671 -12.372 1.00 0.00 N ATOM 760 CA GLU A 53 -2.273 -1.929 -11.509 1.00 0.00 C ATOM 761 C GLU A 53 -1.867 -2.055 -10.040 1.00 0.00 C ATOM 762 O GLU A 53 -1.813 -1.061 -9.318 1.00 0.00 O ATOM 763 CB GLU A 53 -3.722 -2.400 -11.707 1.00 0.00 C ATOM 764 CG GLU A 53 -3.968 -3.854 -11.320 1.00 0.00 C ATOM 765 CD GLU A 53 -5.344 -4.346 -11.731 1.00 0.00 C ATOM 766 OE1 GLU A 53 -6.340 -3.912 -11.113 1.00 0.00 O ATOM 767 OE2 GLU A 53 -5.426 -5.167 -12.668 1.00 0.00 O ATOM 0 HA GLU A 53 -2.215 -0.878 -11.793 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.382 -1.763 -11.118 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.996 -2.263 -12.753 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.208 -4.483 -11.785 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.855 -3.962 -10.241 1.00 0.00 H new ATOM 774 N VAL A 54 -1.572 -3.281 -9.606 1.00 0.00 N ATOM 775 CA VAL A 54 -1.165 -3.526 -8.226 1.00 0.00 C ATOM 776 C VAL A 54 -0.059 -4.577 -8.155 1.00 0.00 C ATOM 777 O VAL A 54 0.145 -5.343 -9.099 1.00 0.00 O ATOM 778 CB VAL A 54 -2.356 -3.987 -7.354 1.00 0.00 C ATOM 779 CG1 VAL A 54 -3.463 -2.943 -7.349 1.00 0.00 C ATOM 780 CG2 VAL A 54 -2.887 -5.334 -7.832 1.00 0.00 C ATOM 0 H VAL A 54 -1.608 -4.116 -10.190 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.789 -2.579 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.998 -4.105 -6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.289 -3.291 -6.729 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.078 -2.006 -6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.817 -2.783 -8.368 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.724 -5.639 -7.204 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.221 -5.247 -8.866 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.095 -6.081 -7.768 1.00 0.00 H new ATOM 790 N ASP A 55 0.641 -4.611 -7.024 1.00 0.00 N ATOM 791 CA ASP A 55 1.724 -5.569 -6.810 1.00 0.00 C ATOM 792 C ASP A 55 1.817 -5.944 -5.334 1.00 0.00 C ATOM 793 O ASP A 55 1.377 -5.188 -4.467 1.00 0.00 O ATOM 794 CB ASP A 55 3.058 -4.986 -7.291 1.00 0.00 C ATOM 795 CG ASP A 55 3.909 -6.004 -8.027 1.00 0.00 C ATOM 796 OD1 ASP A 55 4.510 -6.871 -7.358 1.00 0.00 O ATOM 797 OD2 ASP A 55 3.973 -5.935 -9.274 1.00 0.00 O ATOM 0 H ASP A 55 0.477 -3.983 -6.237 1.00 0.00 H new ATOM 0 HA ASP A 55 1.508 -6.468 -7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.864 -4.138 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.614 -4.605 -6.434 1.00 0.00 H new ATOM 802 N ARG A 56 2.399 -7.107 -5.047 1.00 0.00 N ATOM 803 CA ARG A 56 2.544 -7.564 -3.668 1.00 0.00 C ATOM 804 C ARG A 56 3.913 -7.163 -3.125 1.00 0.00 C ATOM 805 O ARG A 56 4.945 -7.467 -3.725 1.00 0.00 O ATOM 806 CB ARG A 56 2.368 -9.084 -3.585 1.00 0.00 C ATOM 807 CG ARG A 56 1.893 -9.569 -2.222 1.00 0.00 C ATOM 808 CD ARG A 56 1.439 -11.021 -2.273 1.00 0.00 C ATOM 809 NE ARG A 56 0.197 -11.237 -1.529 1.00 0.00 N ATOM 810 CZ ARG A 56 -1.020 -10.935 -1.991 1.00 0.00 C ATOM 811 NH1 ARG A 56 -1.168 -10.369 -3.188 1.00 0.00 N ATOM 812 NH2 ARG A 56 -2.094 -11.195 -1.252 1.00 0.00 N ATOM 0 H ARG A 56 2.776 -7.746 -5.747 1.00 0.00 H new ATOM 0 HA ARG A 56 1.770 -7.092 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.652 -9.400 -4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.317 -9.565 -3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.699 -9.464 -1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.071 -8.942 -1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.295 -11.319 -3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.222 -11.660 -1.864 1.00 0.00 H new ATOM 0 HE ARG A 56 0.265 -11.645 -0.597 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.349 -10.163 -3.759 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.101 -10.142 -3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.989 -11.625 -0.333 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.023 -10.965 -1.604 1.00 0.00 H new ATOM 826 N VAL A 57 3.907 -6.458 -1.994 1.00 0.00 N ATOM 827 CA VAL A 57 5.138 -5.982 -1.367 1.00 0.00 C ATOM 828 C VAL A 57 5.149 -6.258 0.140 1.00 0.00 C ATOM 829 O VAL A 57 4.119 -6.597 0.725 1.00 0.00 O ATOM 830 CB VAL A 57 5.333 -4.467 -1.609 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.686 -4.193 -3.064 1.00 0.00 C ATOM 832 CG2 VAL A 57 4.084 -3.690 -1.206 1.00 0.00 C ATOM 0 H VAL A 57 3.057 -6.203 -1.491 1.00 0.00 H new ATOM 0 HA VAL A 57 5.959 -6.531 -1.828 1.00 0.00 H new ATOM 0 HB VAL A 57 6.162 -4.130 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.818 -3.121 -3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.611 -4.711 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.882 -4.551 -3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.244 -2.627 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.235 -4.034 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.879 -3.853 -0.148 1.00 0.00 H new ATOM 842 N LYS A 58 6.320 -6.102 0.763 1.00 0.00 N ATOM 843 CA LYS A 58 6.465 -6.325 2.205 1.00 0.00 C ATOM 844 C LYS A 58 6.509 -4.990 2.948 1.00 0.00 C ATOM 845 O LYS A 58 7.113 -4.029 2.467 1.00 0.00 O ATOM 846 CB LYS A 58 7.736 -7.127 2.518 1.00 0.00 C ATOM 847 CG LYS A 58 8.181 -8.064 1.402 1.00 0.00 C ATOM 848 CD LYS A 58 8.491 -9.462 1.925 1.00 0.00 C ATOM 849 CE LYS A 58 7.235 -10.187 2.400 1.00 0.00 C ATOM 850 NZ LYS A 58 6.345 -10.584 1.269 1.00 0.00 N ATOM 0 H LYS A 58 7.181 -5.823 0.293 1.00 0.00 H new ATOM 0 HA LYS A 58 5.601 -6.899 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.546 -6.431 2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.568 -7.713 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.399 -8.124 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.066 -7.654 0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.970 -10.045 1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.202 -9.392 2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.522 -11.076 2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.683 -9.542 3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.559 -11.160 1.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.966 -9.731 0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.889 -11.137 0.577 1.00 0.00 H new ATOM 864 N VAL A 59 5.873 -4.937 4.120 1.00 0.00 N ATOM 865 CA VAL A 59 5.853 -3.715 4.924 1.00 0.00 C ATOM 866 C VAL A 59 6.557 -3.919 6.262 1.00 0.00 C ATOM 867 O VAL A 59 6.437 -4.978 6.884 1.00 0.00 O ATOM 868 CB VAL A 59 4.416 -3.205 5.176 1.00 0.00 C ATOM 869 CG1 VAL A 59 3.799 -2.679 3.889 1.00 0.00 C ATOM 870 CG2 VAL A 59 3.546 -4.295 5.786 1.00 0.00 C ATOM 0 H VAL A 59 5.368 -5.722 4.531 1.00 0.00 H new ATOM 0 HA VAL A 59 6.389 -2.962 4.346 1.00 0.00 H new ATOM 0 HB VAL A 59 4.472 -2.383 5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.788 -2.325 4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.403 -1.856 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.764 -3.479 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.541 -3.908 5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.499 -5.146 5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.974 -4.613 6.737 1.00 0.00 H new ATOM 880 N LEU A 60 7.294 -2.898 6.702 1.00 0.00 N ATOM 881 CA LEU A 60 8.022 -2.966 7.967 1.00 0.00 C ATOM 882 C LEU A 60 7.470 -1.964 8.977 1.00 0.00 C ATOM 883 O LEU A 60 7.327 -0.776 8.675 1.00 0.00 O ATOM 884 CB LEU A 60 9.515 -2.704 7.739 1.00 0.00 C ATOM 885 CG LEU A 60 10.423 -3.931 7.884 1.00 0.00 C ATOM 886 CD1 LEU A 60 11.866 -3.567 7.571 1.00 0.00 C ATOM 887 CD2 LEU A 60 10.313 -4.519 9.286 1.00 0.00 C ATOM 0 H LEU A 60 7.402 -2.016 6.201 1.00 0.00 H new ATOM 0 HA LEU A 60 7.891 -3.970 8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.646 -2.291 6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.846 -1.942 8.445 1.00 0.00 H new ATOM 0 HG LEU A 60 10.095 -4.686 7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.496 -4.450 7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.934 -3.196 6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.204 -2.794 8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.965 -5.389 9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.613 -3.770 10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.282 -4.819 9.475 1.00 0.00 H new ATOM 899 N ARG A 61 7.170 -2.450 10.181 1.00 0.00 N ATOM 900 CA ARG A 61 6.642 -1.600 11.248 1.00 0.00 C ATOM 901 C ARG A 61 7.767 -1.096 12.158 1.00 0.00 C ATOM 902 O ARG A 61 7.709 0.030 12.657 1.00 0.00 O ATOM 903 CB ARG A 61 5.600 -2.363 12.073 1.00 0.00 C ATOM 904 CG ARG A 61 4.249 -1.666 12.146 1.00 0.00 C ATOM 905 CD ARG A 61 3.561 -1.908 13.481 1.00 0.00 C ATOM 906 NE ARG A 61 2.570 -0.871 13.787 1.00 0.00 N ATOM 907 CZ ARG A 61 1.609 -1.001 14.708 1.00 0.00 C ATOM 908 NH1 ARG A 61 1.504 -2.117 15.425 1.00 0.00 N ATOM 909 NH2 ARG A 61 0.750 -0.007 14.915 1.00 0.00 N ATOM 0 H ARG A 61 7.284 -3.429 10.442 1.00 0.00 H new ATOM 0 HA ARG A 61 6.164 -0.737 10.784 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.464 -3.355 11.643 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.982 -2.503 13.084 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.384 -0.595 11.995 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.611 -2.024 11.338 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.072 -2.882 13.465 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.309 -1.939 14.273 1.00 0.00 H new ATOM 0 HE ARG A 61 2.617 0.004 13.265 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.160 -2.883 15.275 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.767 -2.206 16.125 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.825 0.853 14.372 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.017 -0.105 15.617 1.00 0.00 H new