USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 133 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 181 ASN : amide:sc= -0.357 K(o=-0.36,f=-0.96) USER MOD Single : A 183 THR OG1 : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 GLN : amide:sc= -0.0281 X(o=-0.028,f=-0.38) USER MOD Single : A 187 HIS : no HD1:sc=-0.00343 X(o=-0.0034,f=-0.0034) USER MOD Single : A 188 THR OG1 : rot 82:sc= 0.724 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 THR OG1 : rot 94:sc= 0.012 USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.714 0.283 -3.115 1.00 0.00 N ATOM 2 CA VAL A 180 -10.362 -1.107 -2.874 1.00 0.00 C ATOM 3 C VAL A 180 -8.931 -1.357 -3.354 1.00 0.00 C ATOM 4 O VAL A 180 -8.609 -2.453 -3.807 1.00 0.00 O ATOM 5 CB VAL A 180 -11.387 -2.027 -3.541 1.00 0.00 C ATOM 6 CG1 VAL A 180 -11.103 -3.494 -3.207 1.00 0.00 C ATOM 7 CG2 VAL A 180 -12.813 -1.641 -3.143 1.00 0.00 C ATOM 0 HA VAL A 180 -10.389 -1.330 -1.807 1.00 0.00 H new ATOM 0 HB VAL A 180 -11.296 -1.903 -4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -11.845 -4.128 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -10.108 -3.762 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -11.153 -3.638 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -13.521 -2.311 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -12.923 -1.722 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -13.012 -0.615 -3.452 1.00 0.00 H new ATOM 17 N ASN A 181 -8.113 -0.322 -3.237 1.00 0.00 N ATOM 18 CA ASN A 181 -6.723 -0.417 -3.653 1.00 0.00 C ATOM 19 C ASN A 181 -5.891 0.601 -2.870 1.00 0.00 C ATOM 20 O ASN A 181 -4.886 1.103 -3.372 1.00 0.00 O ATOM 21 CB ASN A 181 -6.572 -0.106 -5.142 1.00 0.00 C ATOM 22 CG ASN A 181 -6.760 1.388 -5.413 1.00 0.00 C ATOM 23 OD1 ASN A 181 -5.814 2.137 -5.586 1.00 0.00 O ATOM 24 ND2 ASN A 181 -8.031 1.777 -5.441 1.00 0.00 N ATOM 0 H ASN A 181 -8.385 0.586 -2.861 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.382 -1.434 -3.461 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -5.586 -0.420 -5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -7.304 -0.677 -5.712 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -8.261 2.755 -5.616 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -8.776 1.097 -5.288 1.00 0.00 H new ATOM 31 N ILE A 182 -6.341 0.877 -1.655 1.00 0.00 N ATOM 32 CA ILE A 182 -5.650 1.826 -0.799 1.00 0.00 C ATOM 33 C ILE A 182 -4.524 1.109 -0.053 1.00 0.00 C ATOM 34 O ILE A 182 -3.372 1.540 -0.096 1.00 0.00 O ATOM 35 CB ILE A 182 -6.643 2.537 0.124 1.00 0.00 C ATOM 36 CG1 ILE A 182 -7.409 3.626 -0.631 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.940 3.087 1.366 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.795 3.132 -1.050 1.00 0.00 C ATOM 0 H ILE A 182 -7.176 0.460 -1.243 1.00 0.00 H new ATOM 0 HA ILE A 182 -5.187 2.611 -1.397 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.375 1.806 0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.509 4.509 0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.844 3.927 -1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.668 3.587 2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.478 2.267 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.172 3.799 1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -9.318 3.925 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.690 2.264 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -9.366 2.855 -0.164 1.00 0.00 H new ATOM 50 N THR A 183 -4.894 0.025 0.614 1.00 0.00 N ATOM 51 CA THR A 183 -3.929 -0.756 1.368 1.00 0.00 C ATOM 52 C THR A 183 -2.915 -1.405 0.424 1.00 0.00 C ATOM 53 O THR A 183 -1.715 -1.397 0.696 1.00 0.00 O ATOM 54 CB THR A 183 -4.702 -1.767 2.218 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.308 -0.974 3.235 1.00 0.00 O ATOM 56 CG2 THR A 183 -3.777 -2.714 2.985 1.00 0.00 C ATOM 0 H THR A 183 -5.849 -0.330 0.648 1.00 0.00 H new ATOM 0 HA THR A 183 -3.345 -0.125 2.038 1.00 0.00 H new ATOM 0 HB THR A 183 -5.366 -2.348 1.578 1.00 0.00 H new ATOM 0 HG1 THR A 183 -5.831 -1.550 3.831 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.375 -3.411 3.572 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.160 -3.271 2.280 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.136 -2.136 3.651 1.00 0.00 H new ATOM 64 N ILE A 184 -3.434 -1.953 -0.666 1.00 0.00 N ATOM 65 CA ILE A 184 -2.588 -2.605 -1.651 1.00 0.00 C ATOM 66 C ILE A 184 -1.437 -1.669 -2.029 1.00 0.00 C ATOM 67 O ILE A 184 -0.269 -2.024 -1.879 1.00 0.00 O ATOM 68 CB ILE A 184 -3.420 -3.070 -2.847 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.287 -4.275 -2.476 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.529 -3.355 -4.058 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.763 -3.885 -2.395 1.00 0.00 C ATOM 0 H ILE A 184 -4.430 -1.959 -0.888 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.141 -3.507 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.095 -2.262 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.156 -5.064 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -3.961 -4.680 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.146 -3.684 -4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.993 -2.448 -4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -1.812 -4.137 -3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.356 -4.760 -2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -5.894 -3.114 -1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.092 -3.503 -3.361 1.00 0.00 H new ATOM 83 N LYS A 185 -1.809 -0.492 -2.511 1.00 0.00 N ATOM 84 CA LYS A 185 -0.823 0.497 -2.911 1.00 0.00 C ATOM 85 C LYS A 185 0.142 0.747 -1.751 1.00 0.00 C ATOM 86 O LYS A 185 1.301 1.097 -1.967 1.00 0.00 O ATOM 87 CB LYS A 185 -1.511 1.764 -3.423 1.00 0.00 C ATOM 88 CG LYS A 185 -1.566 1.778 -4.952 1.00 0.00 C ATOM 89 CD LYS A 185 -1.494 3.209 -5.490 1.00 0.00 C ATOM 90 CE LYS A 185 -0.144 3.476 -6.159 1.00 0.00 C ATOM 91 NZ LYS A 185 0.337 4.836 -5.830 1.00 0.00 N ATOM 0 H LYS A 185 -2.779 -0.201 -2.633 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.229 0.126 -3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.522 1.822 -3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -0.974 2.643 -3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -0.740 1.192 -5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -2.487 1.304 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -2.298 3.372 -6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -1.646 3.916 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 185 0.585 2.736 -5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -0.239 3.369 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 1.254 5.001 -6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -0.352 5.539 -6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 0.447 4.925 -4.800 1.00 0.00 H new ATOM 105 N GLN A 186 -0.373 0.561 -0.544 1.00 0.00 N ATOM 106 CA GLN A 186 0.429 0.763 0.651 1.00 0.00 C ATOM 107 C GLN A 186 1.404 -0.400 0.838 1.00 0.00 C ATOM 108 O GLN A 186 2.609 -0.189 0.971 1.00 0.00 O ATOM 109 CB GLN A 186 -0.460 0.936 1.884 1.00 0.00 C ATOM 110 CG GLN A 186 -0.380 2.367 2.420 1.00 0.00 C ATOM 111 CD GLN A 186 0.473 2.430 3.689 1.00 0.00 C ATOM 112 OE1 GLN A 186 1.440 1.705 3.854 1.00 0.00 O ATOM 113 NE2 GLN A 186 0.062 3.335 4.574 1.00 0.00 N ATOM 0 H GLN A 186 -1.335 0.273 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 186 1.006 1.679 0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.492 0.696 1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.152 0.235 2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 186 0.045 3.021 1.659 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.383 2.736 2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -0.756 3.910 4.373 1.00 0.00 H new ATOM 0 HE22 GLN A 186 0.565 3.454 5.453 1.00 0.00 H new ATOM 122 N HIS A 187 0.848 -1.603 0.842 1.00 0.00 N ATOM 123 CA HIS A 187 1.655 -2.800 1.011 1.00 0.00 C ATOM 124 C HIS A 187 2.738 -2.846 -0.069 1.00 0.00 C ATOM 125 O HIS A 187 3.727 -3.564 0.068 1.00 0.00 O ATOM 126 CB HIS A 187 0.775 -4.052 1.021 1.00 0.00 C ATOM 127 CG HIS A 187 1.539 -5.338 1.212 1.00 0.00 C ATOM 128 ND1 HIS A 187 1.377 -6.438 0.387 1.00 0.00 N ATOM 129 CD2 HIS A 187 2.474 -5.691 2.142 1.00 0.00 C ATOM 130 CE1 HIS A 187 2.180 -7.402 0.810 1.00 0.00 C ATOM 131 NE2 HIS A 187 2.859 -6.937 1.897 1.00 0.00 N ATOM 0 H HIS A 187 -0.151 -1.774 0.731 1.00 0.00 H new ATOM 0 HA HIS A 187 2.156 -2.771 1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 187 0.037 -3.958 1.818 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.225 -4.104 0.081 1.00 0.00 H new ATOM 0 HD2 HIS A 187 2.838 -5.063 2.941 1.00 0.00 H new ATOM 0 HE1 HIS A 187 2.280 -8.384 0.371 1.00 0.00 H new ATOM 0 HE2 HIS A 187 3.550 -7.461 2.434 1.00 0.00 H new ATOM 140 N THR A 188 2.515 -2.068 -1.119 1.00 0.00 N ATOM 141 CA THR A 188 3.458 -2.011 -2.222 1.00 0.00 C ATOM 142 C THR A 188 4.581 -1.020 -1.911 1.00 0.00 C ATOM 143 O THR A 188 5.656 -1.087 -2.507 1.00 0.00 O ATOM 144 CB THR A 188 2.680 -1.669 -3.494 1.00 0.00 C ATOM 145 OG1 THR A 188 1.828 -2.794 -3.693 1.00 0.00 O ATOM 146 CG2 THR A 188 3.570 -1.650 -4.738 1.00 0.00 C ATOM 0 H THR A 188 1.694 -1.472 -1.228 1.00 0.00 H new ATOM 0 HA THR A 188 3.948 -2.973 -2.374 1.00 0.00 H new ATOM 0 HB THR A 188 2.201 -0.697 -3.376 1.00 0.00 H new ATOM 0 HG1 THR A 188 1.030 -2.703 -3.132 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.968 -1.402 -5.612 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.354 -0.903 -4.613 1.00 0.00 H new ATOM 0 HG23 THR A 188 4.023 -2.632 -4.876 1.00 0.00 H new ATOM 154 N VAL A 189 4.295 -0.123 -0.979 1.00 0.00 N ATOM 155 CA VAL A 189 5.267 0.881 -0.583 1.00 0.00 C ATOM 156 C VAL A 189 6.339 0.229 0.291 1.00 0.00 C ATOM 157 O VAL A 189 7.476 0.697 0.340 1.00 0.00 O ATOM 158 CB VAL A 189 4.561 2.049 0.109 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.571 2.978 0.785 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.682 2.820 -0.877 1.00 0.00 C ATOM 0 H VAL A 189 3.403 -0.071 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 189 5.768 1.294 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 189 3.914 1.637 0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 189 5.043 3.799 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.136 2.420 1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.255 3.378 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.192 3.645 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.300 3.214 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.927 2.152 -1.291 1.00 0.00 H new ATOM 170 N THR A 190 5.941 -0.843 0.960 1.00 0.00 N ATOM 171 CA THR A 190 6.854 -1.565 1.830 1.00 0.00 C ATOM 172 C THR A 190 7.820 -2.415 1.002 1.00 0.00 C ATOM 173 O THR A 190 8.953 -2.655 1.416 1.00 0.00 O ATOM 174 CB THR A 190 6.020 -2.381 2.819 1.00 0.00 C ATOM 175 OG1 THR A 190 5.406 -1.400 3.649 1.00 0.00 O ATOM 176 CG2 THR A 190 6.884 -3.197 3.782 1.00 0.00 C ATOM 0 H THR A 190 4.998 -1.229 0.917 1.00 0.00 H new ATOM 0 HA THR A 190 7.481 -0.880 2.401 1.00 0.00 H new ATOM 0 HB THR A 190 5.360 -3.051 2.269 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.845 -1.843 4.319 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.242 -3.757 4.462 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.505 -3.891 3.215 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.522 -2.525 4.356 1.00 0.00 H new ATOM 184 N THR A 191 7.335 -2.848 -0.152 1.00 0.00 N ATOM 185 CA THR A 191 8.141 -3.667 -1.042 1.00 0.00 C ATOM 186 C THR A 191 8.884 -2.786 -2.050 1.00 0.00 C ATOM 187 O THR A 191 9.879 -3.211 -2.635 1.00 0.00 O ATOM 188 CB THR A 191 7.221 -4.698 -1.698 1.00 0.00 C ATOM 189 OG1 THR A 191 6.792 -5.519 -0.616 1.00 0.00 O ATOM 190 CG2 THR A 191 7.979 -5.659 -2.617 1.00 0.00 C ATOM 0 H THR A 191 6.394 -2.647 -0.492 1.00 0.00 H new ATOM 0 HA THR A 191 8.915 -4.204 -0.494 1.00 0.00 H new ATOM 0 HB THR A 191 6.448 -4.183 -2.269 1.00 0.00 H new ATOM 0 HG1 THR A 191 6.189 -6.215 -0.952 1.00 0.00 H new ATOM 0 HG21 THR A 191 7.279 -6.370 -3.057 1.00 0.00 H new ATOM 0 HG22 THR A 191 8.469 -5.094 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 191 8.730 -6.199 -2.040 1.00 0.00 H new ATOM 198 N THR A 192 8.371 -1.577 -2.221 1.00 0.00 N ATOM 199 CA THR A 192 8.973 -0.634 -3.147 1.00 0.00 C ATOM 200 C THR A 192 9.687 0.483 -2.383 1.00 0.00 C ATOM 201 O THR A 192 10.112 1.473 -2.976 1.00 0.00 O ATOM 202 CB THR A 192 7.876 -0.124 -4.084 1.00 0.00 C ATOM 203 OG1 THR A 192 7.533 -1.262 -4.869 1.00 0.00 O ATOM 204 CG2 THR A 192 8.400 0.889 -5.104 1.00 0.00 C ATOM 0 H THR A 192 7.545 -1.229 -1.734 1.00 0.00 H new ATOM 0 HA THR A 192 9.742 -1.113 -3.754 1.00 0.00 H new ATOM 0 HB THR A 192 7.080 0.333 -3.496 1.00 0.00 H new ATOM 0 HG1 THR A 192 6.771 -1.723 -4.461 1.00 0.00 H new ATOM 0 HG21 THR A 192 7.581 1.218 -5.743 1.00 0.00 H new ATOM 0 HG22 THR A 192 8.820 1.748 -4.581 1.00 0.00 H new ATOM 0 HG23 THR A 192 9.173 0.423 -5.715 1.00 0.00 H new ATOM 212 N THR A 193 9.796 0.286 -1.077 1.00 0.00 N ATOM 213 CA THR A 193 10.451 1.265 -0.225 1.00 0.00 C ATOM 214 C THR A 193 10.122 2.684 -0.692 1.00 0.00 C ATOM 215 O THR A 193 11.017 3.512 -0.853 1.00 0.00 O ATOM 216 CB THR A 193 11.950 0.959 -0.220 1.00 0.00 C ATOM 217 OG1 THR A 193 12.017 -0.456 -0.372 1.00 0.00 O ATOM 218 CG2 THR A 193 12.596 1.218 1.142 1.00 0.00 C ATOM 0 H THR A 193 9.442 -0.536 -0.588 1.00 0.00 H new ATOM 0 HA THR A 193 10.088 1.202 0.801 1.00 0.00 H new ATOM 0 HB THR A 193 12.446 1.565 -0.978 1.00 0.00 H new ATOM 0 HG1 THR A 193 12.955 -0.740 -0.381 1.00 0.00 H new ATOM 0 HG21 THR A 193 13.660 0.985 1.090 1.00 0.00 H new ATOM 0 HG22 THR A 193 12.467 2.266 1.413 1.00 0.00 H new ATOM 0 HG23 THR A 193 12.123 0.588 1.895 1.00 0.00 H new ATOM 226 N LYS A 194 8.835 2.921 -0.896 1.00 0.00 N ATOM 227 CA LYS A 194 8.376 4.227 -1.342 1.00 0.00 C ATOM 228 C LYS A 194 8.284 5.167 -0.139 1.00 0.00 C ATOM 229 O LYS A 194 7.362 5.060 0.669 1.00 0.00 O ATOM 230 CB LYS A 194 7.066 4.096 -2.122 1.00 0.00 C ATOM 231 CG LYS A 194 6.846 5.309 -3.028 1.00 0.00 C ATOM 232 CD LYS A 194 5.443 5.890 -2.835 1.00 0.00 C ATOM 233 CE LYS A 194 5.130 6.935 -3.907 1.00 0.00 C ATOM 234 NZ LYS A 194 3.677 6.974 -4.183 1.00 0.00 N ATOM 0 H LYS A 194 8.095 2.232 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 194 9.091 4.667 -2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 194 7.085 3.187 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 194 6.232 4.001 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 194 7.593 6.072 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 194 6.983 5.019 -4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 194 4.705 5.089 -2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 194 5.366 6.343 -1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 194 5.470 7.917 -3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 194 5.674 6.700 -4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 3.481 7.688 -4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 3.362 6.041 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 3.165 7.220 -3.312 1.00 0.00 H new ATOM 248 N GLY A 195 9.252 6.069 -0.057 1.00 0.00 N ATOM 249 CA GLY A 195 9.292 7.028 1.033 1.00 0.00 C ATOM 250 C GLY A 195 9.934 8.342 0.585 1.00 0.00 C ATOM 251 O GLY A 195 9.333 9.106 -0.169 1.00 0.00 O ATOM 0 H GLY A 195 10.015 6.155 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 195 8.281 7.217 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 195 9.854 6.611 1.868 1.00 0.00 H new TER 255 GLY A 195