USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=10 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 2 ASN : amide:sc= -0.504 K(o=-0.79,f=-3.8!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= -0.281 X(o=-0.79,f=-0.77) USER MOD Single : A 1 MET CE :methyl 149:sc= -2.58! (180deg=-3.37!) USER MOD Single : A 1 MET N :NH3+ 154:sc= -0.353 (180deg=-1.04) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 19:sc= 0.132 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 100:sc= -1.09 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 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -139:sc= -0.0771 (180deg=-2.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.247 -1.769 -4.545 1.00 0.00 N ATOM 2 CA MET A 1 -7.435 -0.541 -4.294 1.00 0.00 C ATOM 3 C MET A 1 -6.202 -0.837 -3.434 1.00 0.00 C ATOM 4 O MET A 1 -5.079 -0.515 -3.827 1.00 0.00 O ATOM 5 CB MET A 1 -8.318 0.530 -3.631 1.00 0.00 C ATOM 6 CG MET A 1 -9.091 0.056 -2.408 1.00 0.00 C ATOM 7 SD MET A 1 -10.683 0.887 -2.228 1.00 0.00 S ATOM 8 CE MET A 1 -10.218 2.597 -2.492 1.00 0.00 C ATOM 0 H1 MET A 1 -9.236 -1.501 -4.722 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.871 -2.270 -5.375 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.200 -2.392 -3.714 1.00 0.00 H new ATOM 0 HA MET A 1 -7.071 -0.170 -5.252 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.688 1.371 -3.341 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.028 0.903 -4.369 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.253 -1.020 -2.479 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.492 0.229 -1.514 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.049 3.134 -2.949 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.970 3.058 -1.536 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.352 2.641 -3.152 1.00 0.00 H new ATOM 20 N ASN A 2 -6.408 -1.452 -2.266 1.00 0.00 N ATOM 21 CA ASN A 2 -5.304 -1.784 -1.369 1.00 0.00 C ATOM 22 C ASN A 2 -4.688 -3.131 -1.743 1.00 0.00 C ATOM 23 O ASN A 2 -5.396 -4.060 -2.140 1.00 0.00 O ATOM 24 CB ASN A 2 -5.776 -1.818 0.090 1.00 0.00 C ATOM 25 CG ASN A 2 -6.244 -0.463 0.596 1.00 0.00 C ATOM 26 OD1 ASN A 2 -6.500 0.455 -0.185 1.00 0.00 O ATOM 27 ND2 ASN A 2 -6.363 -0.330 1.912 1.00 0.00 N ATOM 0 H ASN A 2 -7.328 -1.728 -1.922 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.546 -1.008 -1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.590 -2.536 0.186 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.962 -2.174 0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.676 0.556 2.309 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.141 -1.114 2.526 1.00 0.00 H new ATOM 34 N VAL A 3 -3.367 -3.229 -1.605 1.00 0.00 N ATOM 35 CA VAL A 3 -2.647 -4.458 -1.920 1.00 0.00 C ATOM 36 C VAL A 3 -2.287 -5.215 -0.645 1.00 0.00 C ATOM 37 O VAL A 3 -1.904 -4.610 0.359 1.00 0.00 O ATOM 38 CB VAL A 3 -1.361 -4.182 -2.735 1.00 0.00 C ATOM 39 CG1 VAL A 3 -1.703 -3.615 -4.107 1.00 0.00 C ATOM 40 CG2 VAL A 3 -0.424 -3.241 -1.987 1.00 0.00 C ATOM 0 H VAL A 3 -2.773 -2.468 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.313 -5.068 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.845 -5.132 -2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.784 -3.428 -4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.319 -4.330 -4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.251 -2.680 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.470 -3.067 -2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.930 -2.293 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.142 -3.690 -1.035 1.00 0.00 H new ATOM 50 N THR A 4 -2.416 -6.542 -0.687 1.00 0.00 N ATOM 51 CA THR A 4 -2.106 -7.376 0.468 1.00 0.00 C ATOM 52 C THR A 4 -0.596 -7.482 0.652 1.00 0.00 C ATOM 53 O THR A 4 0.111 -8.016 -0.207 1.00 0.00 O ATOM 54 CB THR A 4 -2.721 -8.770 0.309 1.00 0.00 C ATOM 55 OG1 THR A 4 -4.098 -8.678 -0.017 1.00 0.00 O ATOM 56 CG2 THR A 4 -2.605 -9.627 1.553 1.00 0.00 C ATOM 0 H THR A 4 -2.732 -7.058 -1.508 1.00 0.00 H new ATOM 0 HA THR A 4 -2.536 -6.910 1.355 1.00 0.00 H new ATOM 0 HB THR A 4 -2.152 -9.242 -0.492 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.472 -9.579 -0.116 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.061 -10.600 1.369 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.553 -9.761 1.805 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.117 -9.137 2.381 1.00 0.00 H new ATOM 64 N VAL A 5 -0.108 -6.956 1.774 1.00 0.00 N ATOM 65 CA VAL A 5 1.319 -6.970 2.075 1.00 0.00 C ATOM 66 C VAL A 5 1.614 -7.818 3.309 1.00 0.00 C ATOM 67 O VAL A 5 0.893 -7.751 4.308 1.00 0.00 O ATOM 68 CB VAL A 5 1.862 -5.539 2.292 1.00 0.00 C ATOM 69 CG1 VAL A 5 1.844 -4.758 0.989 1.00 0.00 C ATOM 70 CG2 VAL A 5 1.065 -4.803 3.360 1.00 0.00 C ATOM 0 H VAL A 5 -0.684 -6.514 2.491 1.00 0.00 H new ATOM 0 HA VAL A 5 1.822 -7.410 1.214 1.00 0.00 H new ATOM 0 HB VAL A 5 2.893 -5.623 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.230 -3.753 1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.468 -5.265 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.822 -4.695 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.471 -3.800 3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.021 -4.735 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.132 -5.346 4.303 1.00 0.00 H new ATOM 80 N GLU A 6 2.676 -8.617 3.234 1.00 0.00 N ATOM 81 CA GLU A 6 3.060 -9.476 4.350 1.00 0.00 C ATOM 82 C GLU A 6 3.847 -8.683 5.390 1.00 0.00 C ATOM 83 O GLU A 6 4.929 -8.165 5.107 1.00 0.00 O ATOM 84 CB GLU A 6 3.878 -10.679 3.862 1.00 0.00 C ATOM 85 CG GLU A 6 5.142 -10.305 3.095 1.00 0.00 C ATOM 86 CD GLU A 6 6.403 -10.827 3.760 1.00 0.00 C ATOM 87 OE1 GLU A 6 6.685 -12.036 3.630 1.00 0.00 O ATOM 88 OE2 GLU A 6 7.109 -10.027 4.405 1.00 0.00 O ATOM 0 H GLU A 6 3.282 -8.687 2.417 1.00 0.00 H new ATOM 0 HA GLU A 6 2.149 -9.852 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.155 -11.289 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.248 -11.297 3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.079 -10.702 2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.203 -9.220 3.009 1.00 0.00 H new ATOM 95 N VAL A 7 3.288 -8.588 6.594 1.00 0.00 N ATOM 96 CA VAL A 7 3.929 -7.860 7.681 1.00 0.00 C ATOM 97 C VAL A 7 4.843 -8.786 8.475 1.00 0.00 C ATOM 98 O VAL A 7 4.457 -9.906 8.817 1.00 0.00 O ATOM 99 CB VAL A 7 2.892 -7.226 8.637 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.574 -6.297 9.632 1.00 0.00 C ATOM 101 CG2 VAL A 7 1.819 -6.483 7.852 1.00 0.00 C ATOM 0 H VAL A 7 2.391 -9.007 6.840 1.00 0.00 H new ATOM 0 HA VAL A 7 4.516 -7.060 7.230 1.00 0.00 H new ATOM 0 HB VAL A 7 2.410 -8.028 9.196 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.826 -5.862 10.295 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.296 -6.862 10.221 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.088 -5.501 9.093 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.100 -6.045 8.544 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.282 -5.693 7.261 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.306 -7.179 7.188 1.00 0.00 H new ATOM 111 N VAL A 8 6.057 -8.317 8.760 1.00 0.00 N ATOM 112 CA VAL A 8 7.025 -9.112 9.512 1.00 0.00 C ATOM 113 C VAL A 8 6.446 -9.525 10.866 1.00 0.00 C ATOM 114 O VAL A 8 6.068 -8.675 11.678 1.00 0.00 O ATOM 115 CB VAL A 8 8.351 -8.344 9.735 1.00 0.00 C ATOM 116 CG1 VAL A 8 9.408 -9.255 10.344 1.00 0.00 C ATOM 117 CG2 VAL A 8 8.853 -7.746 8.426 1.00 0.00 C ATOM 0 H VAL A 8 6.392 -7.394 8.483 1.00 0.00 H new ATOM 0 HA VAL A 8 7.238 -10.001 8.918 1.00 0.00 H new ATOM 0 HB VAL A 8 8.157 -7.530 10.434 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.331 -8.694 10.492 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.055 -9.631 11.304 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.596 -10.093 9.673 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.786 -7.211 8.605 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.025 -8.544 7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.108 -7.055 8.032 1.00 0.00 H new ATOM 127 N GLY A 9 6.367 -10.837 11.091 1.00 0.00 N ATOM 128 CA GLY A 9 5.821 -11.357 12.331 1.00 0.00 C ATOM 129 C GLY A 9 4.481 -12.038 12.123 1.00 0.00 C ATOM 130 O GLY A 9 4.395 -13.041 11.409 1.00 0.00 O ATOM 0 H GLY A 9 6.674 -11.551 10.430 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.524 -12.067 12.767 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.706 -10.542 13.046 1.00 0.00 H new ATOM 134 N GLU A 10 3.432 -11.494 12.742 1.00 0.00 N ATOM 135 CA GLU A 10 2.088 -12.053 12.617 1.00 0.00 C ATOM 136 C GLU A 10 1.113 -11.028 12.032 1.00 0.00 C ATOM 137 O GLU A 10 1.368 -9.821 12.080 1.00 0.00 O ATOM 138 CB GLU A 10 1.588 -12.539 13.981 1.00 0.00 C ATOM 139 CG GLU A 10 0.793 -13.835 13.918 1.00 0.00 C ATOM 140 CD GLU A 10 1.655 -15.039 13.585 1.00 0.00 C ATOM 141 OE1 GLU A 10 1.910 -15.276 12.385 1.00 0.00 O ATOM 142 OE2 GLU A 10 2.075 -15.746 14.524 1.00 0.00 O ATOM 0 H GLU A 10 3.489 -10.666 13.335 1.00 0.00 H new ATOM 0 HA GLU A 10 2.138 -12.900 11.933 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.443 -12.680 14.642 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.966 -11.763 14.427 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.300 -14.001 14.876 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.008 -13.738 13.168 1.00 0.00 H new ATOM 149 N GLU A 11 -0.006 -11.523 11.491 1.00 0.00 N ATOM 150 CA GLU A 11 -1.045 -10.673 10.897 1.00 0.00 C ATOM 151 C GLU A 11 -0.602 -10.081 9.556 1.00 0.00 C ATOM 152 O GLU A 11 0.578 -9.790 9.347 1.00 0.00 O ATOM 153 CB GLU A 11 -1.444 -9.548 11.861 1.00 0.00 C ATOM 154 CG GLU A 11 -2.749 -8.853 11.489 1.00 0.00 C ATOM 155 CD GLU A 11 -3.647 -8.604 12.687 1.00 0.00 C ATOM 156 OE1 GLU A 11 -3.175 -7.992 13.668 1.00 0.00 O ATOM 157 OE2 GLU A 11 -4.824 -9.018 12.642 1.00 0.00 O ATOM 0 H GLU A 11 -0.217 -12.520 11.452 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.911 -11.308 10.712 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.536 -9.959 12.866 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.645 -8.808 11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.524 -7.902 11.006 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.284 -9.462 10.760 1.00 0.00 H new ATOM 164 N THR A 12 -1.569 -9.900 8.652 1.00 0.00 N ATOM 165 CA THR A 12 -1.303 -9.338 7.329 1.00 0.00 C ATOM 166 C THR A 12 -2.042 -8.011 7.148 1.00 0.00 C ATOM 167 O THR A 12 -3.219 -7.892 7.502 1.00 0.00 O ATOM 168 CB THR A 12 -1.700 -10.334 6.229 1.00 0.00 C ATOM 169 OG1 THR A 12 -1.292 -9.865 4.956 1.00 0.00 O ATOM 170 CG2 THR A 12 -3.189 -10.609 6.159 1.00 0.00 C ATOM 0 H THR A 12 -2.548 -10.137 8.816 1.00 0.00 H new ATOM 0 HA THR A 12 -0.233 -9.146 7.247 1.00 0.00 H new ATOM 0 HB THR A 12 -1.193 -11.262 6.495 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.594 -9.186 5.066 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.390 -11.321 5.359 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.527 -11.025 7.108 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.722 -9.679 5.960 1.00 0.00 H new ATOM 178 N SER A 13 -1.342 -7.015 6.607 1.00 0.00 N ATOM 179 CA SER A 13 -1.922 -5.691 6.386 1.00 0.00 C ATOM 180 C SER A 13 -2.024 -5.374 4.894 1.00 0.00 C ATOM 181 O SER A 13 -1.379 -6.021 4.069 1.00 0.00 O ATOM 182 CB SER A 13 -1.076 -4.622 7.088 1.00 0.00 C ATOM 183 OG SER A 13 -1.423 -4.514 8.458 1.00 0.00 O ATOM 0 H SER A 13 -0.369 -7.100 6.313 1.00 0.00 H new ATOM 0 HA SER A 13 -2.928 -5.690 6.805 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.019 -4.872 6.996 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.220 -3.660 6.596 1.00 0.00 H new ATOM 0 HG SER A 13 -0.868 -3.827 8.883 1.00 0.00 H new ATOM 189 N GLU A 14 -2.842 -4.377 4.556 1.00 0.00 N ATOM 190 CA GLU A 14 -3.026 -3.971 3.165 1.00 0.00 C ATOM 191 C GLU A 14 -2.762 -2.474 2.993 1.00 0.00 C ATOM 192 O GLU A 14 -3.238 -1.656 3.784 1.00 0.00 O ATOM 193 CB GLU A 14 -4.436 -4.323 2.687 1.00 0.00 C ATOM 194 CG GLU A 14 -4.652 -5.817 2.502 1.00 0.00 C ATOM 195 CD GLU A 14 -6.017 -6.273 2.980 1.00 0.00 C ATOM 196 OE1 GLU A 14 -6.163 -6.536 4.192 1.00 0.00 O ATOM 197 OE2 GLU A 14 -6.940 -6.364 2.144 1.00 0.00 O ATOM 0 H GLU A 14 -3.387 -3.836 5.227 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.305 -4.515 2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.162 -3.944 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.629 -3.815 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.538 -6.069 1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.880 -6.362 3.046 1.00 0.00 H new ATOM 204 N VAL A 15 -1.997 -2.124 1.958 1.00 0.00 N ATOM 205 CA VAL A 15 -1.665 -0.727 1.682 1.00 0.00 C ATOM 206 C VAL A 15 -2.127 -0.310 0.284 1.00 0.00 C ATOM 207 O VAL A 15 -2.133 -1.119 -0.644 1.00 0.00 O ATOM 208 CB VAL A 15 -0.143 -0.476 1.829 1.00 0.00 C ATOM 209 CG1 VAL A 15 0.653 -1.311 0.833 1.00 0.00 C ATOM 210 CG2 VAL A 15 0.187 1.004 1.677 1.00 0.00 C ATOM 0 H VAL A 15 -1.596 -2.790 1.297 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.194 -0.120 2.417 1.00 0.00 H new ATOM 0 HB VAL A 15 0.145 -0.786 2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.717 -1.113 0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.457 -2.369 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.354 -1.049 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.262 1.150 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.129 1.348 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.336 1.574 2.445 1.00 0.00 H new ATOM 220 N ALA A 16 -2.514 0.959 0.141 1.00 0.00 N ATOM 221 CA ALA A 16 -2.976 1.485 -1.139 1.00 0.00 C ATOM 222 C ALA A 16 -1.798 1.931 -2.002 1.00 0.00 C ATOM 223 O ALA A 16 -0.890 2.614 -1.522 1.00 0.00 O ATOM 224 CB ALA A 16 -3.939 2.642 -0.919 1.00 0.00 C ATOM 0 H ALA A 16 -2.515 1.641 0.900 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.500 0.688 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.275 3.024 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.799 2.296 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.434 3.437 -0.370 1.00 0.00 H new ATOM 230 N VAL A 17 -1.819 1.535 -3.272 1.00 0.00 N ATOM 231 CA VAL A 17 -0.746 1.882 -4.209 1.00 0.00 C ATOM 232 C VAL A 17 -1.241 2.759 -5.363 1.00 0.00 C ATOM 233 O VAL A 17 -2.439 2.814 -5.653 1.00 0.00 O ATOM 234 CB VAL A 17 -0.076 0.618 -4.797 1.00 0.00 C ATOM 235 CG1 VAL A 17 0.698 -0.130 -3.720 1.00 0.00 C ATOM 236 CG2 VAL A 17 -1.110 -0.291 -5.456 1.00 0.00 C ATOM 0 H VAL A 17 -2.566 0.973 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.016 2.447 -3.629 1.00 0.00 H new ATOM 0 HB VAL A 17 0.630 0.934 -5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.162 -1.016 -4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.471 0.520 -3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.016 -0.430 -2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.614 -1.173 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.848 -0.599 -4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.607 0.248 -6.262 1.00 0.00 H new ATOM 246 N ASP A 18 -0.293 3.431 -6.023 1.00 0.00 N ATOM 247 CA ASP A 18 -0.586 4.303 -7.162 1.00 0.00 C ATOM 248 C ASP A 18 -0.774 3.483 -8.439 1.00 0.00 C ATOM 249 O ASP A 18 -1.628 3.798 -9.270 1.00 0.00 O ATOM 250 CB ASP A 18 0.560 5.306 -7.361 1.00 0.00 C ATOM 251 CG ASP A 18 0.229 6.416 -8.345 1.00 0.00 C ATOM 252 OD1 ASP A 18 -0.043 6.111 -9.526 1.00 0.00 O ATOM 253 OD2 ASP A 18 0.261 7.595 -7.936 1.00 0.00 O ATOM 0 H ASP A 18 0.697 3.385 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.511 4.841 -6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.816 5.749 -6.398 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.443 4.772 -7.711 1.00 0.00 H new ATOM 258 N ASP A 19 0.041 2.434 -8.585 1.00 0.00 N ATOM 259 CA ASP A 19 -0.003 1.558 -9.760 1.00 0.00 C ATOM 260 C ASP A 19 -1.421 1.070 -10.059 1.00 0.00 C ATOM 261 O ASP A 19 -1.772 0.845 -11.219 1.00 0.00 O ATOM 262 CB ASP A 19 0.921 0.347 -9.555 1.00 0.00 C ATOM 263 CG ASP A 19 2.386 0.673 -9.792 1.00 0.00 C ATOM 264 OD1 ASP A 19 2.875 1.672 -9.221 1.00 0.00 O ATOM 265 OD2 ASP A 19 3.045 -0.076 -10.541 1.00 0.00 O ATOM 0 H ASP A 19 0.746 2.169 -7.897 1.00 0.00 H new ATOM 0 HA ASP A 19 0.338 2.146 -10.612 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.798 -0.030 -8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.618 -0.453 -10.231 1.00 0.00 H new ATOM 270 N ASP A 20 -2.230 0.904 -9.017 1.00 0.00 N ATOM 271 CA ASP A 20 -3.604 0.440 -9.182 1.00 0.00 C ATOM 272 C ASP A 20 -4.470 1.487 -9.890 1.00 0.00 C ATOM 273 O ASP A 20 -5.146 1.177 -10.873 1.00 0.00 O ATOM 274 CB ASP A 20 -4.215 0.091 -7.824 1.00 0.00 C ATOM 275 CG ASP A 20 -5.264 -1.005 -7.917 1.00 0.00 C ATOM 276 OD1 ASP A 20 -5.085 -1.934 -8.732 1.00 0.00 O ATOM 277 OD2 ASP A 20 -6.264 -0.935 -7.173 1.00 0.00 O ATOM 0 H ASP A 20 -1.959 1.084 -8.050 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.577 -0.454 -9.805 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.424 -0.226 -7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.666 0.985 -7.393 1.00 0.00 H new ATOM 282 N GLY A 21 -4.449 2.724 -9.386 1.00 0.00 N ATOM 283 CA GLY A 21 -5.239 3.790 -9.983 1.00 0.00 C ATOM 284 C GLY A 21 -6.655 3.872 -9.424 1.00 0.00 C ATOM 285 O GLY A 21 -7.563 4.359 -10.101 1.00 0.00 O ATOM 0 H GLY A 21 -3.898 3.005 -8.575 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.735 4.742 -9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.289 3.637 -11.061 1.00 0.00 H new ATOM 289 N THR A 22 -6.841 3.400 -8.190 1.00 0.00 N ATOM 290 CA THR A 22 -8.156 3.428 -7.543 1.00 0.00 C ATOM 291 C THR A 22 -8.387 4.758 -6.822 1.00 0.00 C ATOM 292 O THR A 22 -7.516 5.630 -6.816 1.00 0.00 O ATOM 293 CB THR A 22 -8.293 2.268 -6.552 1.00 0.00 C ATOM 294 OG1 THR A 22 -7.029 1.904 -6.022 1.00 0.00 O ATOM 295 CG2 THR A 22 -8.913 1.028 -7.161 1.00 0.00 C ATOM 0 H THR A 22 -6.100 2.994 -7.619 1.00 0.00 H new ATOM 0 HA THR A 22 -8.911 3.321 -8.321 1.00 0.00 H new ATOM 0 HB THR A 22 -8.955 2.637 -5.769 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.921 2.301 -5.133 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.980 0.246 -6.405 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.912 1.264 -7.529 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.294 0.680 -7.988 1.00 0.00 H new ATOM 303 N TYR A 23 -9.565 4.901 -6.209 1.00 0.00 N ATOM 304 CA TYR A 23 -9.914 6.121 -5.474 1.00 0.00 C ATOM 305 C TYR A 23 -8.893 6.406 -4.369 1.00 0.00 C ATOM 306 O TYR A 23 -8.564 7.565 -4.105 1.00 0.00 O ATOM 307 CB TYR A 23 -11.319 6.001 -4.869 1.00 0.00 C ATOM 308 CG TYR A 23 -12.435 6.137 -5.884 1.00 0.00 C ATOM 309 CD1 TYR A 23 -12.767 5.086 -6.730 1.00 0.00 C ATOM 310 CD2 TYR A 23 -13.158 7.319 -5.995 1.00 0.00 C ATOM 311 CE1 TYR A 23 -13.784 5.207 -7.657 1.00 0.00 C ATOM 312 CE2 TYR A 23 -14.178 7.449 -6.919 1.00 0.00 C ATOM 313 CZ TYR A 23 -14.486 6.391 -7.747 1.00 0.00 C ATOM 314 OH TYR A 23 -15.500 6.516 -8.670 1.00 0.00 O ATOM 0 H TYR A 23 -10.294 4.187 -6.207 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.902 6.952 -6.179 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -11.409 5.035 -4.371 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.441 6.767 -4.103 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -12.220 4.157 -6.662 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.919 8.150 -5.348 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.028 4.380 -8.307 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -14.730 8.374 -6.992 1.00 0.00 H new ATOM 0 HH TYR A 23 -15.894 7.411 -8.604 1.00 0.00 H new ATOM 324 N ALA A 24 -8.386 5.342 -3.738 1.00 0.00 N ATOM 325 CA ALA A 24 -7.392 5.472 -2.673 1.00 0.00 C ATOM 326 C ALA A 24 -6.144 6.195 -3.176 1.00 0.00 C ATOM 327 O ALA A 24 -5.533 6.977 -2.445 1.00 0.00 O ATOM 328 CB ALA A 24 -7.016 4.102 -2.125 1.00 0.00 C ATOM 0 H ALA A 24 -8.650 4.380 -3.949 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.834 6.064 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.275 4.217 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.904 3.615 -1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.599 3.492 -2.926 1.00 0.00 H new ATOM 334 N ASP A 25 -5.776 5.931 -4.429 1.00 0.00 N ATOM 335 CA ASP A 25 -4.606 6.558 -5.037 1.00 0.00 C ATOM 336 C ASP A 25 -4.759 8.078 -5.083 1.00 0.00 C ATOM 337 O ASP A 25 -3.828 8.808 -4.751 1.00 0.00 O ATOM 338 CB ASP A 25 -4.381 6.008 -6.453 1.00 0.00 C ATOM 339 CG ASP A 25 -3.159 6.604 -7.134 1.00 0.00 C ATOM 340 OD1 ASP A 25 -2.194 6.956 -6.423 1.00 0.00 O ATOM 341 OD2 ASP A 25 -3.167 6.715 -8.377 1.00 0.00 O ATOM 0 H ASP A 25 -6.273 5.286 -5.043 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.739 6.320 -4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.270 4.925 -6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.263 6.210 -7.060 1.00 0.00 H new ATOM 346 N LEU A 26 -5.945 8.549 -5.483 1.00 0.00 N ATOM 347 CA LEU A 26 -6.211 9.988 -5.560 1.00 0.00 C ATOM 348 C LEU A 26 -6.037 10.649 -4.194 1.00 0.00 C ATOM 349 O LEU A 26 -5.418 11.711 -4.083 1.00 0.00 O ATOM 350 CB LEU A 26 -7.628 10.246 -6.085 1.00 0.00 C ATOM 351 CG LEU A 26 -7.854 11.626 -6.711 1.00 0.00 C ATOM 352 CD1 LEU A 26 -7.732 11.553 -8.228 1.00 0.00 C ATOM 353 CD2 LEU A 26 -9.216 12.176 -6.308 1.00 0.00 C ATOM 0 H LEU A 26 -6.731 7.959 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.491 10.424 -6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.866 9.485 -6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.331 10.119 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.085 12.303 -6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.896 12.543 -8.654 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.735 11.203 -8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.478 10.861 -8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.361 13.157 -6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.998 11.499 -6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.265 12.267 -5.223 1.00 0.00 H new ATOM 365 N VAL A 27 -6.579 10.009 -3.155 1.00 0.00 N ATOM 366 CA VAL A 27 -6.480 10.527 -1.792 1.00 0.00 C ATOM 367 C VAL A 27 -5.030 10.504 -1.301 1.00 0.00 C ATOM 368 O VAL A 27 -4.518 11.512 -0.811 1.00 0.00 O ATOM 369 CB VAL A 27 -7.365 9.719 -0.810 1.00 0.00 C ATOM 370 CG1 VAL A 27 -7.400 10.386 0.556 1.00 0.00 C ATOM 371 CG2 VAL A 27 -8.777 9.548 -1.361 1.00 0.00 C ATOM 0 H VAL A 27 -7.091 9.130 -3.234 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.836 11.557 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.924 8.729 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.027 9.802 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.389 10.443 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.809 11.392 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.377 8.977 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.229 10.528 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.735 9.016 -2.312 1.00 0.00 H new ATOM 381 N ARG A 28 -4.376 9.349 -1.445 1.00 0.00 N ATOM 382 CA ARG A 28 -2.981 9.193 -1.025 1.00 0.00 C ATOM 383 C ARG A 28 -2.067 10.182 -1.754 1.00 0.00 C ATOM 384 O ARG A 28 -1.116 10.705 -1.168 1.00 0.00 O ATOM 385 CB ARG A 28 -2.507 7.758 -1.279 1.00 0.00 C ATOM 386 CG ARG A 28 -1.186 7.418 -0.605 1.00 0.00 C ATOM 387 CD ARG A 28 -0.378 6.422 -1.424 1.00 0.00 C ATOM 388 NE ARG A 28 0.801 7.040 -2.034 1.00 0.00 N ATOM 389 CZ ARG A 28 1.918 7.353 -1.367 1.00 0.00 C ATOM 390 NH1 ARG A 28 2.014 7.118 -0.060 1.00 0.00 N ATOM 391 NH2 ARG A 28 2.939 7.906 -2.012 1.00 0.00 N ATOM 0 H ARG A 28 -4.789 8.509 -1.849 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.928 9.405 0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.272 7.065 -0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.406 7.604 -2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.605 8.329 -0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.378 7.005 0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.065 5.597 -0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.010 5.998 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 28 0.769 7.245 -3.033 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.232 6.696 0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.869 7.360 0.440 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.870 8.091 -3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.792 8.146 -1.507 1.00 0.00 H new ATOM 405 N ALA A 29 -2.364 10.438 -3.032 1.00 0.00 N ATOM 406 CA ALA A 29 -1.573 11.370 -3.842 1.00 0.00 C ATOM 407 C ALA A 29 -1.548 12.771 -3.226 1.00 0.00 C ATOM 408 O ALA A 29 -0.592 13.524 -3.417 1.00 0.00 O ATOM 409 CB ALA A 29 -2.115 11.428 -5.266 1.00 0.00 C ATOM 0 H ALA A 29 -3.147 10.013 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.548 10.999 -3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.517 12.124 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.064 10.436 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.151 11.765 -5.247 1.00 0.00 H new ATOM 415 N VAL A 30 -2.602 13.112 -2.477 1.00 0.00 N ATOM 416 CA VAL A 30 -2.702 14.416 -1.822 1.00 0.00 C ATOM 417 C VAL A 30 -2.165 14.358 -0.381 1.00 0.00 C ATOM 418 O VAL A 30 -2.539 15.175 0.463 1.00 0.00 O ATOM 419 CB VAL A 30 -4.165 14.924 -1.812 1.00 0.00 C ATOM 420 CG1 VAL A 30 -4.230 16.394 -1.415 1.00 0.00 C ATOM 421 CG2 VAL A 30 -4.820 14.709 -3.171 1.00 0.00 C ATOM 0 H VAL A 30 -3.400 12.499 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.091 15.113 -2.396 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.715 14.347 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.268 16.726 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.810 16.520 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.659 16.989 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.847 15.073 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.264 15.254 -3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.819 13.646 -3.411 1.00 0.00 H new ATOM 431 N ASP A 31 -1.287 13.382 -0.104 1.00 0.00 N ATOM 432 CA ASP A 31 -0.700 13.208 1.226 1.00 0.00 C ATOM 433 C ASP A 31 -1.783 12.946 2.276 1.00 0.00 C ATOM 434 O ASP A 31 -1.799 13.568 3.342 1.00 0.00 O ATOM 435 CB ASP A 31 0.140 14.434 1.619 1.00 0.00 C ATOM 436 CG ASP A 31 1.561 14.367 1.088 1.00 0.00 C ATOM 437 OD1 ASP A 31 2.199 13.298 1.210 1.00 0.00 O ATOM 438 OD2 ASP A 31 2.041 15.389 0.555 1.00 0.00 O ATOM 0 H ASP A 31 -0.969 12.699 -0.791 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.044 12.338 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.342 15.336 1.241 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.166 14.518 2.705 1.00 0.00 H new ATOM 443 N LEU A 32 -2.688 12.018 1.966 1.00 0.00 N ATOM 444 CA LEU A 32 -3.773 11.668 2.878 1.00 0.00 C ATOM 445 C LEU A 32 -3.848 10.153 3.076 1.00 0.00 C ATOM 446 O LEU A 32 -4.932 9.565 3.045 1.00 0.00 O ATOM 447 CB LEU A 32 -5.108 12.202 2.342 1.00 0.00 C ATOM 448 CG LEU A 32 -5.361 13.691 2.594 1.00 0.00 C ATOM 449 CD1 LEU A 32 -5.775 14.388 1.307 1.00 0.00 C ATOM 450 CD2 LEU A 32 -6.421 13.877 3.672 1.00 0.00 C ATOM 0 H LEU A 32 -2.690 11.496 1.090 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.572 12.129 3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.150 12.019 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.918 11.630 2.795 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.433 14.144 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.950 15.445 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.982 14.285 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.690 13.934 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.588 14.941 3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.352 13.409 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.083 13.414 4.599 1.00 0.00 H new ATOM 462 N SER A 33 -2.688 9.523 3.282 1.00 0.00 N ATOM 463 CA SER A 33 -2.633 8.079 3.488 1.00 0.00 C ATOM 464 C SER A 33 -2.909 7.731 4.951 1.00 0.00 C ATOM 465 O SER A 33 -2.184 8.169 5.847 1.00 0.00 O ATOM 466 CB SER A 33 -1.267 7.525 3.068 1.00 0.00 C ATOM 467 OG SER A 33 -1.298 6.111 2.954 1.00 0.00 O ATOM 0 H SER A 33 -1.781 9.990 3.310 1.00 0.00 H new ATOM 0 HA SER A 33 -3.403 7.621 2.868 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.972 7.963 2.114 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.513 7.817 3.799 1.00 0.00 H new ATOM 0 HG SER A 33 -0.414 5.785 2.683 1.00 0.00 H new ATOM 473 N PRO A 34 -3.966 6.935 5.210 1.00 0.00 N ATOM 474 CA PRO A 34 -4.338 6.527 6.568 1.00 0.00 C ATOM 475 C PRO A 34 -3.445 5.411 7.118 1.00 0.00 C ATOM 476 O PRO A 34 -3.212 5.333 8.323 1.00 0.00 O ATOM 477 CB PRO A 34 -5.774 6.032 6.397 1.00 0.00 C ATOM 478 CG PRO A 34 -5.834 5.523 4.999 1.00 0.00 C ATOM 479 CD PRO A 34 -4.883 6.374 4.196 1.00 0.00 C ATOM 0 HA PRO A 34 -4.230 7.342 7.283 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.010 5.247 7.115 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.492 6.836 6.557 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.547 4.472 4.955 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.847 5.593 4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.346 5.782 3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.410 7.160 3.655 1.00 0.00 H new ATOM 487 N HIS A 35 -2.952 4.549 6.224 1.00 0.00 N ATOM 488 CA HIS A 35 -2.088 3.436 6.621 1.00 0.00 C ATOM 489 C HIS A 35 -0.669 3.926 6.910 1.00 0.00 C ATOM 490 O HIS A 35 -0.052 3.510 7.891 1.00 0.00 O ATOM 491 CB HIS A 35 -2.056 2.358 5.531 1.00 0.00 C ATOM 492 CG HIS A 35 -3.399 2.059 4.938 1.00 0.00 C ATOM 493 ND1 HIS A 35 -3.841 2.613 3.755 1.00 0.00 N ATOM 494 CD2 HIS A 35 -4.405 1.269 5.379 1.00 0.00 C ATOM 495 CE1 HIS A 35 -5.060 2.181 3.496 1.00 0.00 C ATOM 496 NE2 HIS A 35 -5.426 1.361 4.465 1.00 0.00 N ATOM 0 H HIS A 35 -3.137 4.601 5.222 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.500 3.002 7.532 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.381 2.677 4.737 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.642 1.441 5.951 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.405 0.676 6.282 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.657 2.452 2.638 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.321 0.875 4.525 1.00 0.00 H new ATOM 505 N GLU A 36 -0.163 4.817 6.049 1.00 0.00 N ATOM 506 CA GLU A 36 1.180 5.375 6.202 1.00 0.00 C ATOM 507 C GLU A 36 2.214 4.272 6.454 1.00 0.00 C ATOM 508 O GLU A 36 2.862 4.235 7.504 1.00 0.00 O ATOM 509 CB GLU A 36 1.197 6.400 7.343 1.00 0.00 C ATOM 510 CG GLU A 36 2.245 7.489 7.173 1.00 0.00 C ATOM 511 CD GLU A 36 1.760 8.850 7.640 1.00 0.00 C ATOM 512 OE1 GLU A 36 1.437 8.988 8.840 1.00 0.00 O ATOM 513 OE2 GLU A 36 1.705 9.777 6.806 1.00 0.00 O ATOM 0 H GLU A 36 -0.669 5.167 5.236 1.00 0.00 H new ATOM 0 HA GLU A 36 1.449 5.876 5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.213 6.864 7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.376 5.880 8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.140 7.216 7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.531 7.551 6.123 1.00 0.00 H new ATOM 520 N VAL A 37 2.359 3.372 5.482 1.00 0.00 N ATOM 521 CA VAL A 37 3.306 2.263 5.592 1.00 0.00 C ATOM 522 C VAL A 37 4.293 2.259 4.425 1.00 0.00 C ATOM 523 O VAL A 37 3.943 2.627 3.300 1.00 0.00 O ATOM 524 CB VAL A 37 2.581 0.899 5.647 1.00 0.00 C ATOM 525 CG1 VAL A 37 1.851 0.728 6.972 1.00 0.00 C ATOM 526 CG2 VAL A 37 1.616 0.747 4.478 1.00 0.00 C ATOM 0 H VAL A 37 1.832 3.389 4.609 1.00 0.00 H new ATOM 0 HA VAL A 37 3.852 2.410 6.524 1.00 0.00 H new ATOM 0 HB VAL A 37 3.334 0.115 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.348 -0.239 6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.568 0.778 7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.114 1.522 7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.119 -0.221 4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.870 1.541 4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.168 0.812 3.540 1.00 0.00 H new ATOM 536 N THR A 38 5.527 1.839 4.703 1.00 0.00 N ATOM 537 CA THR A 38 6.574 1.784 3.684 1.00 0.00 C ATOM 538 C THR A 38 6.513 0.468 2.913 1.00 0.00 C ATOM 539 O THR A 38 6.649 -0.610 3.496 1.00 0.00 O ATOM 540 CB THR A 38 7.958 1.951 4.324 1.00 0.00 C ATOM 541 OG1 THR A 38 7.916 2.900 5.376 1.00 0.00 O ATOM 542 CG2 THR A 38 9.021 2.403 3.345 1.00 0.00 C ATOM 0 H THR A 38 5.826 1.531 5.628 1.00 0.00 H new ATOM 0 HA THR A 38 6.406 2.604 2.986 1.00 0.00 H new ATOM 0 HB THR A 38 8.223 0.961 4.695 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.808 2.990 5.771 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.975 2.501 3.863 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.116 1.668 2.546 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.738 3.366 2.920 1.00 0.00 H new ATOM 550 N VAL A 39 6.303 0.563 1.600 1.00 0.00 N ATOM 551 CA VAL A 39 6.221 -0.622 0.746 1.00 0.00 C ATOM 552 C VAL A 39 7.599 -1.030 0.221 1.00 0.00 C ATOM 553 O VAL A 39 8.379 -0.187 -0.229 1.00 0.00 O ATOM 554 CB VAL A 39 5.262 -0.400 -0.449 1.00 0.00 C ATOM 555 CG1 VAL A 39 3.860 -0.067 0.040 1.00 0.00 C ATOM 556 CG2 VAL A 39 5.783 0.692 -1.377 1.00 0.00 C ATOM 0 H VAL A 39 6.187 1.447 1.105 1.00 0.00 H new ATOM 0 HA VAL A 39 5.826 -1.426 1.368 1.00 0.00 H new ATOM 0 HB VAL A 39 5.215 -1.329 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.203 0.085 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.481 -0.890 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.890 0.842 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.089 0.826 -2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.872 1.627 -0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.761 0.405 -1.764 1.00 0.00 H new ATOM 566 N LEU A 40 7.889 -2.330 0.285 1.00 0.00 N ATOM 567 CA LEU A 40 9.168 -2.863 -0.183 1.00 0.00 C ATOM 568 C LEU A 40 8.988 -3.624 -1.491 1.00 0.00 C ATOM 569 O LEU A 40 7.978 -4.298 -1.691 1.00 0.00 O ATOM 570 CB LEU A 40 9.777 -3.795 0.872 1.00 0.00 C ATOM 571 CG LEU A 40 10.806 -3.149 1.802 1.00 0.00 C ATOM 572 CD1 LEU A 40 10.169 -2.039 2.628 1.00 0.00 C ATOM 573 CD2 LEU A 40 11.432 -4.197 2.713 1.00 0.00 C ATOM 0 H LEU A 40 7.253 -3.035 0.658 1.00 0.00 H new ATOM 0 HA LEU A 40 9.842 -2.023 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.970 -4.205 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.250 -4.634 0.362 1.00 0.00 H new ATOM 0 HG LEU A 40 11.591 -2.709 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.920 -1.595 3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.769 -1.274 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.361 -2.453 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.162 -3.721 3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.655 -4.666 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.929 -4.955 2.108 1.00 0.00 H new ATOM 585 N VAL A 41 9.981 -3.530 -2.371 1.00 0.00 N ATOM 586 CA VAL A 41 9.934 -4.221 -3.652 1.00 0.00 C ATOM 587 C VAL A 41 10.795 -5.477 -3.597 1.00 0.00 C ATOM 588 O VAL A 41 11.882 -5.471 -3.013 1.00 0.00 O ATOM 589 CB VAL A 41 10.406 -3.320 -4.813 1.00 0.00 C ATOM 590 CG1 VAL A 41 10.094 -3.965 -6.158 1.00 0.00 C ATOM 591 CG2 VAL A 41 9.768 -1.941 -4.723 1.00 0.00 C ATOM 0 H VAL A 41 10.827 -2.981 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 41 8.895 -4.490 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 41 11.486 -3.203 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.435 -3.313 -6.962 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.605 -4.925 -6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.019 -4.119 -6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 41 10.116 -1.324 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.683 -2.038 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.047 -1.472 -3.780 1.00 0.00 H new ATOM 601 N ASP A 42 10.297 -6.559 -4.192 1.00 0.00 N ATOM 602 CA ASP A 42 11.004 -7.822 -4.196 1.00 0.00 C ATOM 603 C ASP A 42 12.280 -7.708 -5.001 1.00 0.00 C ATOM 604 O ASP A 42 12.261 -7.376 -6.189 1.00 0.00 O ATOM 605 CB ASP A 42 10.110 -8.938 -4.753 1.00 0.00 C ATOM 606 CG ASP A 42 9.724 -8.727 -6.209 1.00 0.00 C ATOM 607 OD1 ASP A 42 9.018 -7.739 -6.502 1.00 0.00 O ATOM 608 OD2 ASP A 42 10.121 -9.557 -7.052 1.00 0.00 O ATOM 0 H ASP A 42 9.401 -6.578 -4.678 1.00 0.00 H new ATOM 0 HA ASP A 42 11.266 -8.076 -3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.628 -9.892 -4.656 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.205 -9.004 -4.150 1.00 0.00 H new ATOM 613 N GLY A 43 13.385 -7.987 -4.339 1.00 0.00 N ATOM 614 CA GLY A 43 14.667 -7.924 -4.985 1.00 0.00 C ATOM 615 C GLY A 43 15.268 -6.528 -5.000 1.00 0.00 C ATOM 616 O GLY A 43 16.238 -6.257 -4.291 1.00 0.00 O ATOM 0 H GLY A 43 13.414 -8.258 -3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.354 -8.602 -4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.567 -8.279 -6.011 1.00 0.00 H new ATOM 759 N GLU A 53 -2.251 -4.368 -12.414 1.00 0.00 N ATOM 760 CA GLU A 53 -2.727 -3.163 -11.724 1.00 0.00 C ATOM 761 C GLU A 53 -2.233 -3.121 -10.273 1.00 0.00 C ATOM 762 O GLU A 53 -1.906 -2.052 -9.751 1.00 0.00 O ATOM 763 CB GLU A 53 -4.261 -3.090 -11.764 1.00 0.00 C ATOM 764 CG GLU A 53 -4.956 -4.346 -11.247 1.00 0.00 C ATOM 765 CD GLU A 53 -6.466 -4.204 -11.181 1.00 0.00 C ATOM 766 OE1 GLU A 53 -7.126 -4.394 -12.225 1.00 0.00 O ATOM 767 OE2 GLU A 53 -6.990 -3.912 -10.084 1.00 0.00 O ATOM 0 HA GLU A 53 -2.319 -2.298 -12.246 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.589 -2.236 -11.172 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.579 -2.908 -12.790 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.704 -5.186 -11.894 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.575 -4.582 -10.253 1.00 0.00 H new ATOM 774 N VAL A 54 -2.175 -4.291 -9.633 1.00 0.00 N ATOM 775 CA VAL A 54 -1.718 -4.394 -8.248 1.00 0.00 C ATOM 776 C VAL A 54 -0.346 -5.066 -8.159 1.00 0.00 C ATOM 777 O VAL A 54 0.105 -5.713 -9.107 1.00 0.00 O ATOM 778 CB VAL A 54 -2.719 -5.191 -7.380 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.031 -4.434 -7.241 1.00 0.00 C ATOM 780 CG2 VAL A 54 -2.954 -6.582 -7.959 1.00 0.00 C ATOM 0 H VAL A 54 -2.440 -5.181 -10.054 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.645 -3.374 -7.870 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.287 -5.309 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.721 -5.012 -6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.846 -3.469 -6.769 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.467 -4.278 -8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.662 -7.123 -7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.358 -6.493 -8.967 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.010 -7.126 -7.994 1.00 0.00 H new ATOM 790 N ASP A 55 0.307 -4.913 -7.006 1.00 0.00 N ATOM 791 CA ASP A 55 1.623 -5.506 -6.778 1.00 0.00 C ATOM 792 C ASP A 55 1.797 -5.896 -5.311 1.00 0.00 C ATOM 793 O ASP A 55 1.219 -5.268 -4.420 1.00 0.00 O ATOM 794 CB ASP A 55 2.729 -4.530 -7.192 1.00 0.00 C ATOM 795 CG ASP A 55 3.293 -4.842 -8.565 1.00 0.00 C ATOM 796 OD1 ASP A 55 3.889 -5.928 -8.729 1.00 0.00 O ATOM 797 OD2 ASP A 55 3.139 -4.002 -9.475 1.00 0.00 O ATOM 0 H ASP A 55 -0.056 -4.382 -6.215 1.00 0.00 H new ATOM 0 HA ASP A 55 1.697 -6.406 -7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.334 -3.514 -7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.533 -4.563 -6.456 1.00 0.00 H new ATOM 802 N ARG A 56 2.599 -6.933 -5.066 1.00 0.00 N ATOM 803 CA ARG A 56 2.852 -7.399 -3.705 1.00 0.00 C ATOM 804 C ARG A 56 4.136 -6.784 -3.155 1.00 0.00 C ATOM 805 O ARG A 56 5.196 -6.878 -3.777 1.00 0.00 O ATOM 806 CB ARG A 56 2.940 -8.927 -3.663 1.00 0.00 C ATOM 807 CG ARG A 56 2.719 -9.509 -2.272 1.00 0.00 C ATOM 808 CD ARG A 56 2.124 -10.907 -2.335 1.00 0.00 C ATOM 809 NE ARG A 56 0.714 -10.891 -2.736 1.00 0.00 N ATOM 810 CZ ARG A 56 -0.127 -11.914 -2.559 1.00 0.00 C ATOM 811 NH1 ARG A 56 0.286 -13.039 -1.983 1.00 0.00 N ATOM 812 NH2 ARG A 56 -1.392 -11.807 -2.958 1.00 0.00 N ATOM 0 H ARG A 56 3.082 -7.464 -5.791 1.00 0.00 H new ATOM 0 HA ARG A 56 2.018 -7.082 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.200 -9.345 -4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.920 -9.237 -4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.668 -9.541 -1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.055 -8.856 -1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.694 -11.511 -3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.217 -11.384 -1.359 1.00 0.00 H new ATOM 0 HE ARG A 56 0.352 -10.046 -3.178 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.253 -13.127 -1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.364 -13.814 -1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.717 -10.946 -3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.037 -12.586 -2.824 1.00 0.00 H new ATOM 826 N VAL A 57 4.028 -6.151 -1.989 1.00 0.00 N ATOM 827 CA VAL A 57 5.175 -5.509 -1.348 1.00 0.00 C ATOM 828 C VAL A 57 5.237 -5.838 0.146 1.00 0.00 C ATOM 829 O VAL A 57 4.276 -6.357 0.715 1.00 0.00 O ATOM 830 CB VAL A 57 5.135 -3.971 -1.535 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.393 -3.595 -2.988 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.805 -3.400 -1.063 1.00 0.00 C ATOM 0 H VAL A 57 3.156 -6.068 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 57 6.069 -5.902 -1.832 1.00 0.00 H new ATOM 0 HB VAL A 57 5.927 -3.538 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.360 -2.511 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.375 -3.960 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.629 -4.045 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.802 -2.319 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.993 -3.844 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.666 -3.628 -0.006 1.00 0.00 H new ATOM 842 N LYS A 58 6.373 -5.533 0.774 1.00 0.00 N ATOM 843 CA LYS A 58 6.560 -5.793 2.205 1.00 0.00 C ATOM 844 C LYS A 58 6.432 -4.495 3.004 1.00 0.00 C ATOM 845 O LYS A 58 6.938 -3.453 2.589 1.00 0.00 O ATOM 846 CB LYS A 58 7.930 -6.435 2.474 1.00 0.00 C ATOM 847 CG LYS A 58 8.470 -7.263 1.314 1.00 0.00 C ATOM 848 CD LYS A 58 8.996 -8.610 1.785 1.00 0.00 C ATOM 849 CE LYS A 58 8.786 -9.692 0.735 1.00 0.00 C ATOM 850 NZ LYS A 58 8.449 -11.010 1.346 1.00 0.00 N ATOM 0 H LYS A 58 7.178 -5.106 0.316 1.00 0.00 H new ATOM 0 HA LYS A 58 5.783 -6.488 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.647 -5.649 2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.854 -7.071 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.681 -7.417 0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.269 -6.714 0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.058 -8.526 2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.492 -8.895 2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.985 -9.391 0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.689 -9.792 0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.954 -11.766 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.734 -11.012 2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.424 -11.173 1.277 1.00 0.00 H new ATOM 864 N VAL A 59 5.753 -4.565 4.150 1.00 0.00 N ATOM 865 CA VAL A 59 5.564 -3.388 4.999 1.00 0.00 C ATOM 866 C VAL A 59 6.315 -3.526 6.321 1.00 0.00 C ATOM 867 O VAL A 59 6.334 -4.599 6.929 1.00 0.00 O ATOM 868 CB VAL A 59 4.072 -3.113 5.292 1.00 0.00 C ATOM 869 CG1 VAL A 59 3.417 -2.415 4.110 1.00 0.00 C ATOM 870 CG2 VAL A 59 3.333 -4.399 5.641 1.00 0.00 C ATOM 0 H VAL A 59 5.327 -5.419 4.510 1.00 0.00 H new ATOM 0 HA VAL A 59 5.969 -2.545 4.440 1.00 0.00 H new ATOM 0 HB VAL A 59 4.013 -2.453 6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.367 -2.229 4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.921 -1.467 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.493 -3.048 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.286 -4.174 5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.400 -5.096 4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.784 -4.849 6.526 1.00 0.00 H new ATOM 880 N LEU A 60 6.930 -2.427 6.762 1.00 0.00 N ATOM 881 CA LEU A 60 7.683 -2.419 8.013 1.00 0.00 C ATOM 882 C LEU A 60 6.942 -1.628 9.089 1.00 0.00 C ATOM 883 O LEU A 60 6.686 -0.433 8.928 1.00 0.00 O ATOM 884 CB LEU A 60 9.076 -1.821 7.792 1.00 0.00 C ATOM 885 CG LEU A 60 10.134 -2.251 8.812 1.00 0.00 C ATOM 886 CD1 LEU A 60 10.595 -3.674 8.540 1.00 0.00 C ATOM 887 CD2 LEU A 60 11.317 -1.293 8.790 1.00 0.00 C ATOM 0 H LEU A 60 6.920 -1.533 6.271 1.00 0.00 H new ATOM 0 HA LEU A 60 7.788 -3.450 8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.420 -2.098 6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.996 -0.734 7.811 1.00 0.00 H new ATOM 0 HG LEU A 60 9.684 -2.221 9.805 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.347 -3.960 9.276 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.744 -4.352 8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.026 -3.732 7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.059 -1.614 9.521 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.765 -1.290 7.796 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.976 -0.288 9.037 1.00 0.00 H new ATOM 899 N ARG A 61 6.603 -2.304 10.186 1.00 0.00 N ATOM 900 CA ARG A 61 5.895 -1.668 11.295 1.00 0.00 C ATOM 901 C ARG A 61 6.825 -0.746 12.085 1.00 0.00 C ATOM 902 O ARG A 61 6.427 0.346 12.494 1.00 0.00 O ATOM 903 CB ARG A 61 5.291 -2.728 12.224 1.00 0.00 C ATOM 904 CG ARG A 61 3.844 -2.453 12.607 1.00 0.00 C ATOM 905 CD ARG A 61 3.075 -3.742 12.861 1.00 0.00 C ATOM 906 NE ARG A 61 1.628 -3.517 12.938 1.00 0.00 N ATOM 907 CZ ARG A 61 0.759 -4.388 13.461 1.00 0.00 C ATOM 908 NH1 ARG A 61 1.180 -5.548 13.958 1.00 0.00 N ATOM 909 NH2 ARG A 61 -0.538 -4.096 13.487 1.00 0.00 N ATOM 0 H ARG A 61 6.808 -3.293 10.330 1.00 0.00 H new ATOM 0 HA ARG A 61 5.090 -1.065 10.876 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.350 -3.701 11.737 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.892 -2.789 13.131 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.816 -1.830 13.501 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.357 -1.890 11.811 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.288 -4.454 12.064 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.421 -4.192 13.791 1.00 0.00 H new ATOM 0 HE ARG A 61 1.261 -2.640 12.569 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.173 -5.779 13.942 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.509 -6.206 14.355 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.869 -3.209 13.108 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.202 -4.760 13.886 1.00 0.00 H new