USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 285 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -140:sc= -0.145 (180deg=-0.782) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.0278 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -160:sc=-0.00143 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.791 K(o=-0.79,f=-2.4) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 164:sc= -0.0722 (180deg=-0.45) USER MOD Single : A 29 ASN : amide:sc= -1.97! K(o=-2!,f=-0.79) USER MOD Single : A 32 ASN : amide:sc= -1.85 X(o=-1.8,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.093) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.633 1.182 -3.557 1.00 0.00 N ATOM 2 CA MET A 1 -25.767 0.067 -3.097 1.00 0.00 C ATOM 3 C MET A 1 -25.417 0.225 -1.621 1.00 0.00 C ATOM 4 O MET A 1 -25.345 1.340 -1.105 1.00 0.00 O ATOM 5 CB MET A 1 -24.487 0.015 -3.934 1.00 0.00 C ATOM 6 CG MET A 1 -23.641 -1.223 -3.680 1.00 0.00 C ATOM 7 SD MET A 1 -22.179 -1.294 -4.734 1.00 0.00 S ATOM 8 CE MET A 1 -22.930 -1.379 -6.358 1.00 0.00 C ATOM 0 H1 MET A 1 -26.445 1.376 -4.561 1.00 0.00 H new ATOM 0 H2 MET A 1 -27.632 0.918 -3.436 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.429 2.034 -2.996 1.00 0.00 H new ATOM 0 HA MET A 1 -26.316 -0.866 -3.223 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.752 0.052 -4.991 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.890 0.902 -3.724 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.332 -1.239 -2.635 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.248 -2.113 -3.846 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.373 -2.080 -6.980 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.962 -1.717 -6.264 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.912 -0.392 -6.819 1.00 0.00 H new ATOM 20 N THR A 2 -25.201 -0.900 -0.947 1.00 0.00 N ATOM 21 CA THR A 2 -24.862 -0.890 0.470 1.00 0.00 C ATOM 22 C THR A 2 -23.505 -0.242 0.709 1.00 0.00 C ATOM 23 O THR A 2 -22.516 -0.591 0.065 1.00 0.00 O ATOM 24 CB THR A 2 -24.844 -2.315 1.052 1.00 0.00 C ATOM 25 OG1 THR A 2 -24.826 -3.275 -0.010 1.00 0.00 O ATOM 26 CG2 THR A 2 -26.054 -2.556 1.940 1.00 0.00 C ATOM 0 H THR A 2 -25.255 -1.831 -1.361 1.00 0.00 H new ATOM 0 HA THR A 2 -25.633 -0.307 0.973 1.00 0.00 H new ATOM 0 HB THR A 2 -23.945 -2.424 1.658 1.00 0.00 H new ATOM 0 HG1 THR A 2 -25.129 -4.143 0.329 1.00 0.00 H new ATOM 0 HG21 THR A 2 -26.017 -3.570 2.338 1.00 0.00 H new ATOM 0 HG22 THR A 2 -26.049 -1.842 2.764 1.00 0.00 H new ATOM 0 HG23 THR A 2 -26.965 -2.429 1.356 1.00 0.00 H new ATOM 34 N PHE A 3 -23.467 0.708 1.638 1.00 0.00 N ATOM 35 CA PHE A 3 -22.230 1.402 1.968 1.00 0.00 C ATOM 36 C PHE A 3 -21.216 0.431 2.559 1.00 0.00 C ATOM 37 O PHE A 3 -20.011 0.576 2.355 1.00 0.00 O ATOM 38 CB PHE A 3 -22.503 2.539 2.952 1.00 0.00 C ATOM 39 CG PHE A 3 -21.507 3.656 2.854 1.00 0.00 C ATOM 40 CD1 PHE A 3 -20.635 3.923 3.896 1.00 0.00 C ATOM 41 CD2 PHE A 3 -21.443 4.436 1.712 1.00 0.00 C ATOM 42 CE1 PHE A 3 -19.716 4.950 3.800 1.00 0.00 C ATOM 43 CE2 PHE A 3 -20.527 5.464 1.610 1.00 0.00 C ATOM 44 CZ PHE A 3 -19.661 5.722 2.655 1.00 0.00 C ATOM 0 H PHE A 3 -24.279 1.014 2.175 1.00 0.00 H new ATOM 0 HA PHE A 3 -21.817 1.823 1.051 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -23.502 2.935 2.772 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -22.496 2.142 3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -20.674 3.322 4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -22.117 4.238 0.892 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -19.041 5.149 4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -20.488 6.066 0.714 1.00 0.00 H new ATOM 0 HZ PHE A 3 -18.943 6.525 2.577 1.00 0.00 H new ATOM 54 N ALA A 4 -21.715 -0.557 3.296 1.00 0.00 N ATOM 55 CA ALA A 4 -20.857 -1.558 3.915 1.00 0.00 C ATOM 56 C ALA A 4 -20.217 -2.451 2.860 1.00 0.00 C ATOM 57 O ALA A 4 -19.043 -2.809 2.964 1.00 0.00 O ATOM 58 CB ALA A 4 -21.652 -2.394 4.907 1.00 0.00 C ATOM 0 H ALA A 4 -22.710 -0.685 3.478 1.00 0.00 H new ATOM 0 HA ALA A 4 -20.061 -1.042 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -20.998 -3.138 5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -22.061 -1.747 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -22.468 -2.897 4.388 1.00 0.00 H new ATOM 64 N GLU A 5 -20.996 -2.809 1.842 1.00 0.00 N ATOM 65 CA GLU A 5 -20.500 -3.657 0.765 1.00 0.00 C ATOM 66 C GLU A 5 -19.490 -2.903 -0.092 1.00 0.00 C ATOM 67 O GLU A 5 -18.502 -3.477 -0.551 1.00 0.00 O ATOM 68 CB GLU A 5 -21.657 -4.160 -0.100 1.00 0.00 C ATOM 69 CG GLU A 5 -22.574 -5.134 0.621 1.00 0.00 C ATOM 70 CD GLU A 5 -21.846 -6.376 1.098 1.00 0.00 C ATOM 71 OE1 GLU A 5 -21.405 -6.393 2.266 1.00 0.00 O ATOM 72 OE2 GLU A 5 -21.717 -7.330 0.303 1.00 0.00 O ATOM 0 H GLU A 5 -21.971 -2.525 1.742 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.001 -4.517 1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.243 -3.307 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.252 -4.644 -0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.030 -4.634 1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -23.385 -5.426 -0.047 1.00 0.00 H new ATOM 79 N LEU A 6 -19.744 -1.616 -0.309 1.00 0.00 N ATOM 80 CA LEU A 6 -18.842 -0.791 -1.101 1.00 0.00 C ATOM 81 C LEU A 6 -17.705 -0.273 -0.231 1.00 0.00 C ATOM 82 O LEU A 6 -16.699 0.217 -0.736 1.00 0.00 O ATOM 83 CB LEU A 6 -19.598 0.386 -1.725 1.00 0.00 C ATOM 84 CG LEU A 6 -18.892 1.064 -2.904 1.00 0.00 C ATOM 85 CD1 LEU A 6 -19.905 1.492 -3.952 1.00 0.00 C ATOM 86 CD2 LEU A 6 -18.086 2.265 -2.431 1.00 0.00 C ATOM 0 H LEU A 6 -20.563 -1.125 0.051 1.00 0.00 H new ATOM 0 HA LEU A 6 -18.428 -1.404 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -20.573 0.034 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -19.777 1.133 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.207 0.344 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -19.388 1.972 -4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -20.443 0.617 -4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -20.611 2.195 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -17.593 2.731 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.752 2.987 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -17.335 1.939 -1.712 1.00 0.00 H new ATOM 98 N GLY A 7 -17.866 -0.404 1.081 1.00 0.00 N ATOM 99 CA GLY A 7 -16.847 0.059 2.002 1.00 0.00 C ATOM 100 C GLY A 7 -15.592 -0.785 1.952 1.00 0.00 C ATOM 101 O GLY A 7 -14.483 -0.255 1.955 1.00 0.00 O ATOM 0 H GLY A 7 -18.685 -0.823 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.594 1.093 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.247 0.049 3.016 1.00 0.00 H new ATOM 105 N MET A 8 -15.765 -2.101 1.905 1.00 0.00 N ATOM 106 CA MET A 8 -14.631 -3.017 1.856 1.00 0.00 C ATOM 107 C MET A 8 -13.942 -2.958 0.499 1.00 0.00 C ATOM 108 O MET A 8 -12.718 -2.894 0.420 1.00 0.00 O ATOM 109 CB MET A 8 -15.089 -4.446 2.151 1.00 0.00 C ATOM 110 CG MET A 8 -15.701 -4.612 3.531 1.00 0.00 C ATOM 111 SD MET A 8 -14.566 -4.147 4.851 1.00 0.00 S ATOM 112 CE MET A 8 -15.616 -4.346 6.287 1.00 0.00 C ATOM 0 H MET A 8 -16.677 -2.557 1.900 1.00 0.00 H new ATOM 0 HA MET A 8 -13.915 -2.710 2.618 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.819 -4.748 1.400 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.237 -5.119 2.056 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.603 -4.003 3.600 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.006 -5.650 3.667 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.054 -4.094 7.186 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.479 -3.685 6.201 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.956 -5.380 6.349 1.00 0.00 H new ATOM 122 N ALA A 9 -14.733 -2.982 -0.566 1.00 0.00 N ATOM 123 CA ALA A 9 -14.193 -2.928 -1.918 1.00 0.00 C ATOM 124 C ALA A 9 -13.456 -1.614 -2.161 1.00 0.00 C ATOM 125 O ALA A 9 -12.378 -1.596 -2.755 1.00 0.00 O ATOM 126 CB ALA A 9 -15.308 -3.108 -2.937 1.00 0.00 C ATOM 0 H ALA A 9 -15.750 -3.038 -0.520 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.477 -3.742 -2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.891 -3.066 -3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.789 -4.074 -2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.044 -2.313 -2.815 1.00 0.00 H new ATOM 132 N PHE A 10 -14.047 -0.517 -1.698 1.00 0.00 N ATOM 133 CA PHE A 10 -13.453 0.808 -1.861 1.00 0.00 C ATOM 134 C PHE A 10 -12.198 0.960 -1.003 1.00 0.00 C ATOM 135 O PHE A 10 -11.184 1.479 -1.466 1.00 0.00 O ATOM 136 CB PHE A 10 -14.481 1.890 -1.510 1.00 0.00 C ATOM 137 CG PHE A 10 -13.901 3.264 -1.323 1.00 0.00 C ATOM 138 CD1 PHE A 10 -14.186 3.992 -0.179 1.00 0.00 C ATOM 139 CD2 PHE A 10 -13.075 3.828 -2.283 1.00 0.00 C ATOM 140 CE1 PHE A 10 -13.660 5.256 0.005 1.00 0.00 C ATOM 141 CE2 PHE A 10 -12.546 5.093 -2.105 1.00 0.00 C ATOM 142 CZ PHE A 10 -12.839 5.807 -0.959 1.00 0.00 C ATOM 0 H PHE A 10 -14.940 -0.518 -1.205 1.00 0.00 H new ATOM 0 HA PHE A 10 -13.158 0.925 -2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -15.231 1.931 -2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -14.997 1.600 -0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -14.827 3.566 0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -12.842 3.273 -3.180 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -13.891 5.812 0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.905 5.522 -2.861 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.426 6.795 -0.817 1.00 0.00 H new ATOM 152 N TRP A 11 -12.271 0.512 0.248 1.00 0.00 N ATOM 153 CA TRP A 11 -11.130 0.605 1.153 1.00 0.00 C ATOM 154 C TRP A 11 -9.970 -0.252 0.659 1.00 0.00 C ATOM 155 O TRP A 11 -8.815 0.169 0.701 1.00 0.00 O ATOM 156 CB TRP A 11 -11.525 0.188 2.570 1.00 0.00 C ATOM 157 CG TRP A 11 -11.892 1.348 3.445 1.00 0.00 C ATOM 158 CD1 TRP A 11 -13.124 1.633 3.963 1.00 0.00 C ATOM 159 CD2 TRP A 11 -11.015 2.384 3.901 1.00 0.00 C ATOM 160 NE1 TRP A 11 -13.064 2.780 4.716 1.00 0.00 N ATOM 161 CE2 TRP A 11 -11.781 3.261 4.693 1.00 0.00 C ATOM 162 CE3 TRP A 11 -9.656 2.654 3.717 1.00 0.00 C ATOM 163 CZ2 TRP A 11 -11.231 4.387 5.299 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -9.112 3.772 4.318 1.00 0.00 C ATOM 165 CH2 TRP A 11 -9.898 4.627 5.102 1.00 0.00 C ATOM 0 H TRP A 11 -13.102 0.084 0.655 1.00 0.00 H new ATOM 0 HA TRP A 11 -10.807 1.646 1.173 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -12.368 -0.501 2.518 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -10.698 -0.356 3.026 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -14.014 1.043 3.804 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -13.847 3.205 5.212 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -9.042 2.000 3.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -11.835 5.048 5.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -8.063 3.991 4.181 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -9.443 5.493 5.560 1.00 0.00 H new ATOM 176 N HIS A 12 -10.285 -1.454 0.193 1.00 0.00 N ATOM 177 CA HIS A 12 -9.268 -2.368 -0.314 1.00 0.00 C ATOM 178 C HIS A 12 -8.662 -1.841 -1.612 1.00 0.00 C ATOM 179 O HIS A 12 -7.454 -1.936 -1.828 1.00 0.00 O ATOM 180 CB HIS A 12 -9.866 -3.758 -0.541 1.00 0.00 C ATOM 181 CG HIS A 12 -10.246 -4.461 0.726 1.00 0.00 C ATOM 182 ND1 HIS A 12 -10.580 -3.811 1.893 1.00 0.00 N ATOM 183 CD2 HIS A 12 -10.349 -5.788 0.993 1.00 0.00 C ATOM 184 CE1 HIS A 12 -10.870 -4.742 2.813 1.00 0.00 C ATOM 185 NE2 HIS A 12 -10.745 -5.958 2.317 1.00 0.00 N ATOM 0 H HIS A 12 -11.237 -1.819 0.155 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.476 -2.441 0.432 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.748 -3.666 -1.174 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.146 -4.370 -1.084 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.155 -6.585 0.290 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.167 -4.525 3.828 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.905 -6.840 2.803 1.00 0.00 H new ATOM 193 N ASP A 13 -9.512 -1.286 -2.472 1.00 0.00 N ATOM 194 CA ASP A 13 -9.065 -0.749 -3.751 1.00 0.00 C ATOM 195 C ASP A 13 -8.166 0.467 -3.554 1.00 0.00 C ATOM 196 O ASP A 13 -7.146 0.607 -4.227 1.00 0.00 O ATOM 197 CB ASP A 13 -10.269 -0.372 -4.617 1.00 0.00 C ATOM 198 CG ASP A 13 -9.862 0.076 -6.006 1.00 0.00 C ATOM 199 OD1 ASP A 13 -9.789 -0.784 -6.909 1.00 0.00 O ATOM 200 OD2 ASP A 13 -9.616 1.286 -6.192 1.00 0.00 O ATOM 0 H ASP A 13 -10.514 -1.197 -2.305 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.487 -1.523 -4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.939 -1.228 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.828 0.427 -4.130 1.00 0.00 H new ATOM 205 N LEU A 14 -8.550 1.349 -2.634 1.00 0.00 N ATOM 206 CA LEU A 14 -7.763 2.546 -2.354 1.00 0.00 C ATOM 207 C LEU A 14 -6.499 2.190 -1.586 1.00 0.00 C ATOM 208 O LEU A 14 -5.475 2.856 -1.718 1.00 0.00 O ATOM 209 CB LEU A 14 -8.592 3.584 -1.587 1.00 0.00 C ATOM 210 CG LEU A 14 -8.780 3.327 -0.091 1.00 0.00 C ATOM 211 CD1 LEU A 14 -7.612 3.900 0.696 1.00 0.00 C ATOM 212 CD2 LEU A 14 -10.091 3.933 0.385 1.00 0.00 C ATOM 0 H LEU A 14 -9.397 1.258 -2.073 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.472 2.988 -3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.120 4.559 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.577 3.646 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.813 2.251 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.761 3.709 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.686 3.428 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.551 4.975 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.213 3.743 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.081 5.008 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.920 3.482 -0.161 1.00 0.00 H new ATOM 224 N ALA A 15 -6.580 1.136 -0.782 1.00 0.00 N ATOM 225 CA ALA A 15 -5.445 0.692 0.016 1.00 0.00 C ATOM 226 C ALA A 15 -4.350 0.088 -0.855 1.00 0.00 C ATOM 227 O ALA A 15 -3.168 0.228 -0.556 1.00 0.00 O ATOM 228 CB ALA A 15 -5.895 -0.310 1.068 1.00 0.00 C ATOM 0 H ALA A 15 -7.422 0.572 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.029 1.567 0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.035 -0.632 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.629 0.157 1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.344 -1.174 0.579 1.00 0.00 H new ATOM 234 N ALA A 16 -4.749 -0.592 -1.927 1.00 0.00 N ATOM 235 CA ALA A 16 -3.793 -1.228 -2.831 1.00 0.00 C ATOM 236 C ALA A 16 -2.648 -0.277 -3.211 1.00 0.00 C ATOM 237 O ALA A 16 -1.481 -0.610 -3.007 1.00 0.00 O ATOM 238 CB ALA A 16 -4.506 -1.760 -4.069 1.00 0.00 C ATOM 0 H ALA A 16 -5.726 -0.717 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.343 -2.070 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.781 -2.231 -4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.255 -2.494 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.993 -0.936 -4.590 1.00 0.00 H new ATOM 244 N PRO A 17 -2.952 0.919 -3.765 1.00 0.00 N ATOM 245 CA PRO A 17 -1.917 1.889 -4.147 1.00 0.00 C ATOM 246 C PRO A 17 -1.253 2.543 -2.936 1.00 0.00 C ATOM 247 O PRO A 17 -0.108 2.990 -3.010 1.00 0.00 O ATOM 248 CB PRO A 17 -2.691 2.934 -4.953 1.00 0.00 C ATOM 249 CG PRO A 17 -4.088 2.851 -4.452 1.00 0.00 C ATOM 250 CD PRO A 17 -4.309 1.413 -4.078 1.00 0.00 C ATOM 0 HA PRO A 17 -1.104 1.417 -4.698 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.278 3.932 -4.805 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.642 2.724 -6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.234 3.505 -3.592 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.796 3.168 -5.217 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.976 1.320 -3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.761 0.852 -4.896 1.00 0.00 H new ATOM 258 N VAL A 18 -1.980 2.595 -1.823 1.00 0.00 N ATOM 259 CA VAL A 18 -1.467 3.197 -0.594 1.00 0.00 C ATOM 260 C VAL A 18 -0.364 2.342 0.025 1.00 0.00 C ATOM 261 O VAL A 18 0.693 2.849 0.404 1.00 0.00 O ATOM 262 CB VAL A 18 -2.595 3.393 0.441 1.00 0.00 C ATOM 263 CG1 VAL A 18 -2.034 3.858 1.777 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.632 4.381 -0.077 1.00 0.00 C ATOM 0 H VAL A 18 -2.928 2.227 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.054 4.169 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.082 2.430 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.849 3.989 2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.336 3.112 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.514 4.807 1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.419 4.506 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.155 5.343 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.065 4.002 -1.003 1.00 0.00 H new ATOM 274 N ILE A 19 -0.624 1.044 0.128 1.00 0.00 N ATOM 275 CA ILE A 19 0.329 0.106 0.707 1.00 0.00 C ATOM 276 C ILE A 19 1.536 -0.092 -0.203 1.00 0.00 C ATOM 277 O ILE A 19 2.676 -0.113 0.260 1.00 0.00 O ATOM 278 CB ILE A 19 -0.332 -1.261 0.972 1.00 0.00 C ATOM 279 CG1 ILE A 19 -1.612 -1.080 1.790 1.00 0.00 C ATOM 280 CG2 ILE A 19 0.636 -2.188 1.693 1.00 0.00 C ATOM 281 CD1 ILE A 19 -2.575 -2.241 1.670 1.00 0.00 C ATOM 0 H ILE A 19 -1.495 0.615 -0.185 1.00 0.00 H new ATOM 0 HA ILE A 19 0.663 0.535 1.652 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.593 -1.714 0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.347 -0.945 2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.114 -0.168 1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.154 -3.149 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.524 -2.337 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.925 -1.743 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.459 -2.044 2.276 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.869 -2.363 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.091 -3.153 2.020 1.00 0.00 H new ATOM 293 N ALA A 20 1.277 -0.240 -1.499 1.00 0.00 N ATOM 294 CA ALA A 20 2.341 -0.441 -2.476 1.00 0.00 C ATOM 295 C ALA A 20 3.335 0.715 -2.454 1.00 0.00 C ATOM 296 O ALA A 20 4.538 0.515 -2.627 1.00 0.00 O ATOM 297 CB ALA A 20 1.753 -0.612 -3.869 1.00 0.00 C ATOM 0 H ALA A 20 0.338 -0.224 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 20 2.879 -1.350 -2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.558 -0.761 -4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.091 -1.478 -3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.188 0.280 -4.137 1.00 0.00 H new ATOM 303 N GLY A 21 2.827 1.926 -2.239 1.00 0.00 N ATOM 304 CA GLY A 21 3.688 3.093 -2.194 1.00 0.00 C ATOM 305 C GLY A 21 4.643 3.055 -1.018 1.00 0.00 C ATOM 306 O GLY A 21 5.831 3.344 -1.163 1.00 0.00 O ATOM 0 H GLY A 21 1.836 2.119 -2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.258 3.158 -3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.075 3.992 -2.133 1.00 0.00 H new ATOM 310 N ILE A 22 4.119 2.698 0.149 1.00 0.00 N ATOM 311 CA ILE A 22 4.926 2.613 1.359 1.00 0.00 C ATOM 312 C ILE A 22 5.924 1.464 1.260 1.00 0.00 C ATOM 313 O ILE A 22 7.052 1.563 1.742 1.00 0.00 O ATOM 314 CB ILE A 22 4.041 2.410 2.604 1.00 0.00 C ATOM 315 CG1 ILE A 22 2.996 3.526 2.698 1.00 0.00 C ATOM 316 CG2 ILE A 22 4.896 2.367 3.863 1.00 0.00 C ATOM 317 CD1 ILE A 22 1.923 3.267 3.734 1.00 0.00 C ATOM 0 H ILE A 22 3.136 2.462 0.282 1.00 0.00 H new ATOM 0 HA ILE A 22 5.466 3.555 1.459 1.00 0.00 H new ATOM 0 HB ILE A 22 3.521 1.456 2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.499 4.464 2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.525 3.654 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.255 2.223 4.733 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.605 1.542 3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.441 3.305 3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.219 4.099 3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.394 2.346 3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.383 3.169 4.717 1.00 0.00 H new ATOM 329 N LEU A 23 5.496 0.375 0.631 1.00 0.00 N ATOM 330 CA LEU A 23 6.342 -0.799 0.462 1.00 0.00 C ATOM 331 C LEU A 23 7.558 -0.466 -0.395 1.00 0.00 C ATOM 332 O LEU A 23 8.651 -0.986 -0.169 1.00 0.00 O ATOM 333 CB LEU A 23 5.540 -1.936 -0.176 1.00 0.00 C ATOM 334 CG LEU A 23 6.342 -3.194 -0.516 1.00 0.00 C ATOM 335 CD1 LEU A 23 7.026 -3.751 0.724 1.00 0.00 C ATOM 336 CD2 LEU A 23 5.437 -4.245 -1.141 1.00 0.00 C ATOM 0 H LEU A 23 4.564 0.282 0.228 1.00 0.00 H new ATOM 0 HA LEU A 23 6.691 -1.119 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.732 -2.213 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.077 -1.563 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 23 7.113 -2.924 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.590 -4.645 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.704 -3.002 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.274 -4.005 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.021 -5.134 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.645 -4.507 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.995 -3.848 -2.055 1.00 0.00 H new ATOM 348 N ALA A 24 7.358 0.406 -1.378 1.00 0.00 N ATOM 349 CA ALA A 24 8.435 0.817 -2.268 1.00 0.00 C ATOM 350 C ALA A 24 9.521 1.559 -1.499 1.00 0.00 C ATOM 351 O ALA A 24 10.711 1.335 -1.716 1.00 0.00 O ATOM 352 CB ALA A 24 7.886 1.686 -3.389 1.00 0.00 C ATOM 0 H ALA A 24 6.458 0.842 -1.578 1.00 0.00 H new ATOM 0 HA ALA A 24 8.881 -0.077 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.700 1.987 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.148 1.121 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.416 2.573 -2.965 1.00 0.00 H new ATOM 358 N SER A 25 9.101 2.442 -0.598 1.00 0.00 N ATOM 359 CA SER A 25 10.038 3.213 0.209 1.00 0.00 C ATOM 360 C SER A 25 10.939 2.283 1.012 1.00 0.00 C ATOM 361 O SER A 25 12.115 2.575 1.228 1.00 0.00 O ATOM 362 CB SER A 25 9.283 4.153 1.151 1.00 0.00 C ATOM 363 OG SER A 25 8.468 5.056 0.425 1.00 0.00 O ATOM 0 H SER A 25 8.118 2.641 -0.409 1.00 0.00 H new ATOM 0 HA SER A 25 10.658 3.810 -0.460 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.666 3.570 1.834 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.994 4.710 1.761 1.00 0.00 H new ATOM 0 HG SER A 25 7.995 5.644 1.050 1.00 0.00 H new ATOM 369 N MET A 26 10.377 1.161 1.447 1.00 0.00 N ATOM 370 CA MET A 26 11.125 0.179 2.221 1.00 0.00 C ATOM 371 C MET A 26 12.238 -0.430 1.377 1.00 0.00 C ATOM 372 O MET A 26 13.369 -0.584 1.838 1.00 0.00 O ATOM 373 CB MET A 26 10.188 -0.923 2.719 1.00 0.00 C ATOM 374 CG MET A 26 9.035 -0.404 3.562 1.00 0.00 C ATOM 375 SD MET A 26 7.826 -1.685 3.953 1.00 0.00 S ATOM 376 CE MET A 26 8.841 -2.849 4.859 1.00 0.00 C ATOM 0 H MET A 26 9.404 0.909 1.276 1.00 0.00 H new ATOM 0 HA MET A 26 11.571 0.683 3.078 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.786 -1.462 1.861 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.763 -1.640 3.306 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.428 0.014 4.489 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.539 0.408 3.031 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.201 -3.542 5.406 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.466 -3.406 4.162 1.00 0.00 H new ATOM 0 HE3 MET A 26 9.475 -2.309 5.562 1.00 0.00 H new ATOM 386 N ILE A 27 11.906 -0.771 0.136 1.00 0.00 N ATOM 387 CA ILE A 27 12.872 -1.361 -0.780 1.00 0.00 C ATOM 388 C ILE A 27 14.006 -0.386 -1.075 1.00 0.00 C ATOM 389 O ILE A 27 15.180 -0.756 -1.037 1.00 0.00 O ATOM 390 CB ILE A 27 12.206 -1.781 -2.105 1.00 0.00 C ATOM 391 CG1 ILE A 27 11.041 -2.738 -1.833 1.00 0.00 C ATOM 392 CG2 ILE A 27 13.229 -2.427 -3.031 1.00 0.00 C ATOM 393 CD1 ILE A 27 10.272 -3.128 -3.077 1.00 0.00 C ATOM 0 H ILE A 27 10.973 -0.648 -0.258 1.00 0.00 H new ATOM 0 HA ILE A 27 13.276 -2.248 -0.293 1.00 0.00 H new ATOM 0 HB ILE A 27 11.813 -0.891 -2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.426 -3.640 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.357 -2.271 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.744 -2.718 -3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 27 14.027 -1.716 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 27 13.649 -3.310 -2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.463 -3.807 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.856 -2.235 -3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.943 -3.624 -3.779 1.00 0.00 H new ATOM 405 N VAL A 28 13.650 0.862 -1.369 1.00 0.00 N ATOM 406 CA VAL A 28 14.645 1.887 -1.664 1.00 0.00 C ATOM 407 C VAL A 28 15.564 2.113 -0.468 1.00 0.00 C ATOM 408 O VAL A 28 16.773 2.281 -0.625 1.00 0.00 O ATOM 409 CB VAL A 28 13.985 3.224 -2.055 1.00 0.00 C ATOM 410 CG1 VAL A 28 15.044 4.259 -2.409 1.00 0.00 C ATOM 411 CG2 VAL A 28 13.019 3.023 -3.212 1.00 0.00 C ATOM 0 H VAL A 28 12.684 1.186 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 28 15.231 1.526 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 28 13.420 3.594 -1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.560 5.196 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.694 4.424 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.638 3.899 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.562 3.977 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.559 2.630 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.242 2.317 -2.919 1.00 0.00 H new ATOM 421 N ASN A 29 14.981 2.115 0.727 1.00 0.00 N ATOM 422 CA ASN A 29 15.746 2.313 1.952 1.00 0.00 C ATOM 423 C ASN A 29 16.758 1.187 2.140 1.00 0.00 C ATOM 424 O ASN A 29 17.859 1.403 2.647 1.00 0.00 O ATOM 425 CB ASN A 29 14.807 2.381 3.159 1.00 0.00 C ATOM 426 CG ASN A 29 13.969 3.646 3.177 1.00 0.00 C ATOM 427 OD1 ASN A 29 12.839 3.646 3.663 1.00 0.00 O ATOM 428 ND2 ASN A 29 14.521 4.733 2.649 1.00 0.00 N ATOM 0 H ASN A 29 13.980 1.982 0.872 1.00 0.00 H new ATOM 0 HA ASN A 29 16.286 3.256 1.871 1.00 0.00 H new ATOM 0 HB2 ASN A 29 14.148 1.513 3.151 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.395 2.326 4.075 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.004 5.612 2.636 1.00 0.00 H new ATOM 0 HD22 ASN A 29 15.461 4.688 2.257 1.00 0.00 H new ATOM 435 N TRP A 30 16.370 -0.014 1.725 1.00 0.00 N ATOM 436 CA TRP A 30 17.232 -1.185 1.836 1.00 0.00 C ATOM 437 C TRP A 30 18.411 -1.091 0.869 1.00 0.00 C ATOM 438 O TRP A 30 19.562 -1.283 1.260 1.00 0.00 O ATOM 439 CB TRP A 30 16.418 -2.455 1.566 1.00 0.00 C ATOM 440 CG TRP A 30 17.245 -3.639 1.165 1.00 0.00 C ATOM 441 CD1 TRP A 30 18.226 -4.245 1.896 1.00 0.00 C ATOM 442 CD2 TRP A 30 17.157 -4.362 -0.068 1.00 0.00 C ATOM 443 NE1 TRP A 30 18.754 -5.300 1.191 1.00 0.00 N ATOM 444 CE2 TRP A 30 18.113 -5.392 -0.017 1.00 0.00 C ATOM 445 CE3 TRP A 30 16.360 -4.236 -1.209 1.00 0.00 C ATOM 446 CZ2 TRP A 30 18.294 -6.292 -1.066 1.00 0.00 C ATOM 447 CZ3 TRP A 30 16.539 -5.129 -2.249 1.00 0.00 C ATOM 448 CH2 TRP A 30 17.499 -6.145 -2.171 1.00 0.00 C ATOM 0 H TRP A 30 15.459 -0.202 1.307 1.00 0.00 H new ATOM 0 HA TRP A 30 17.633 -1.226 2.849 1.00 0.00 H new ATOM 0 HB2 TRP A 30 15.852 -2.708 2.462 1.00 0.00 H new ATOM 0 HB3 TRP A 30 15.693 -2.248 0.779 1.00 0.00 H new ATOM 0 HD1 TRP A 30 18.541 -3.940 2.883 1.00 0.00 H new ATOM 0 HE1 TRP A 30 19.501 -5.914 1.514 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.617 -3.455 -1.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 19.034 -7.076 -1.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 15.929 -5.041 -3.136 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.615 -6.827 -3.000 1.00 0.00 H new ATOM 459 N LEU A 31 18.115 -0.796 -0.392 1.00 0.00 N ATOM 460 CA LEU A 31 19.150 -0.680 -1.415 1.00 0.00 C ATOM 461 C LEU A 31 20.115 0.460 -1.104 1.00 0.00 C ATOM 462 O LEU A 31 21.285 0.414 -1.487 1.00 0.00 O ATOM 463 CB LEU A 31 18.517 -0.472 -2.790 1.00 0.00 C ATOM 464 CG LEU A 31 18.171 -1.759 -3.538 1.00 0.00 C ATOM 465 CD1 LEU A 31 17.284 -1.456 -4.732 1.00 0.00 C ATOM 466 CD2 LEU A 31 19.439 -2.472 -3.986 1.00 0.00 C ATOM 0 H LEU A 31 17.167 -0.633 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 31 19.718 -1.610 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 31 17.608 0.118 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 31 19.200 0.116 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 31 17.626 -2.416 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 31 17.047 -2.383 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 31 16.362 -0.986 -4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.805 -0.781 -5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 31 19.174 -3.386 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 31 20.008 -1.820 -4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.044 -2.721 -3.114 1.00 0.00 H new ATOM 478 N ASN A 32 19.622 1.481 -0.410 1.00 0.00 N ATOM 479 CA ASN A 32 20.451 2.627 -0.049 1.00 0.00 C ATOM 480 C ASN A 32 21.531 2.226 0.949 1.00 0.00 C ATOM 481 O ASN A 32 22.564 2.885 1.059 1.00 0.00 O ATOM 482 CB ASN A 32 19.590 3.749 0.536 1.00 0.00 C ATOM 483 CG ASN A 32 18.727 4.425 -0.511 1.00 0.00 C ATOM 484 OD1 ASN A 32 19.085 4.479 -1.687 1.00 0.00 O ATOM 485 ND2 ASN A 32 17.583 4.948 -0.085 1.00 0.00 N ATOM 0 H ASN A 32 18.656 1.539 -0.087 1.00 0.00 H new ATOM 0 HA ASN A 32 20.936 2.989 -0.956 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.952 3.342 1.320 1.00 0.00 H new ATOM 0 HB3 ASN A 32 20.236 4.492 1.004 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.961 5.418 -0.743 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.326 4.880 0.900 1.00 0.00 H new ATOM 492 N LYS A 33 21.284 1.141 1.677 1.00 0.00 N ATOM 493 CA LYS A 33 22.238 0.649 2.662 1.00 0.00 C ATOM 494 C LYS A 33 23.349 -0.150 1.993 1.00 0.00 C ATOM 495 O LYS A 33 24.528 0.041 2.286 1.00 0.00 O ATOM 496 CB LYS A 33 21.531 -0.224 3.694 1.00 0.00 C ATOM 497 CG LYS A 33 22.486 -1.049 4.537 1.00 0.00 C ATOM 498 CD LYS A 33 21.739 -1.917 5.525 1.00 0.00 C ATOM 499 CE LYS A 33 22.655 -2.958 6.149 1.00 0.00 C ATOM 500 NZ LYS A 33 22.995 -4.047 5.191 1.00 0.00 N ATOM 0 H LYS A 33 20.431 0.587 1.602 1.00 0.00 H new ATOM 0 HA LYS A 33 22.680 1.512 3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.934 0.411 4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.839 -0.893 3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.097 -1.676 3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.166 -0.387 5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.308 -1.293 6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.910 -2.414 5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 33 23.571 -2.477 6.491 1.00 0.00 H new ATOM 0 HE3 LYS A 33 22.172 -3.386 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.431 -4.839 5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.129 -4.376 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.663 -3.687 4.479 1.00 0.00 H new ATOM 514 N ARG A 34 22.960 -1.054 1.102 1.00 0.00 N ATOM 515 CA ARG A 34 23.919 -1.890 0.394 1.00 0.00 C ATOM 516 C ARG A 34 24.476 -1.176 -0.837 1.00 0.00 C ATOM 517 O ARG A 34 24.302 -1.639 -1.965 1.00 0.00 O ATOM 518 CB ARG A 34 23.268 -3.214 -0.014 1.00 0.00 C ATOM 519 CG ARG A 34 21.931 -3.049 -0.721 1.00 0.00 C ATOM 520 CD ARG A 34 21.393 -4.387 -1.200 1.00 0.00 C ATOM 521 NE ARG A 34 21.324 -5.365 -0.118 1.00 0.00 N ATOM 522 CZ ARG A 34 21.530 -6.667 -0.286 1.00 0.00 C ATOM 523 NH1 ARG A 34 21.801 -7.149 -1.491 1.00 0.00 N ATOM 524 NH2 ARG A 34 21.461 -7.489 0.752 1.00 0.00 N ATOM 0 H ARG A 34 21.986 -1.226 0.853 1.00 0.00 H new ATOM 0 HA ARG A 34 24.749 -2.094 1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 34 23.950 -3.757 -0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 34 23.125 -3.827 0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 34 21.213 -2.587 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 34 22.047 -2.376 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 34 20.400 -4.247 -1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 34 22.031 -4.771 -1.996 1.00 0.00 H new ATOM 0 HE ARG A 34 21.105 -5.030 0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 34 21.852 -6.520 -2.292 1.00 0.00 H new ATOM 0 HH12 ARG A 34 21.959 -8.149 -1.617 1.00 0.00 H new ATOM 0 HH21 ARG A 34 21.250 -7.122 1.680 1.00 0.00 H new ATOM 0 HH22 ARG A 34 21.619 -8.488 0.623 1.00 0.00 H new ATOM 538 N LYS A 35 25.141 -0.045 -0.613 1.00 0.00 N ATOM 539 CA LYS A 35 25.727 0.727 -1.705 1.00 0.00 C ATOM 540 C LYS A 35 26.678 -0.133 -2.533 1.00 0.00 C ATOM 541 O LYS A 35 26.231 -0.689 -3.559 1.00 0.00 O ATOM 542 CB LYS A 35 26.473 1.950 -1.163 1.00 0.00 C ATOM 543 CG LYS A 35 25.582 2.929 -0.416 1.00 0.00 C ATOM 544 CD LYS A 35 25.634 2.700 1.086 1.00 0.00 C ATOM 545 CE LYS A 35 26.962 3.150 1.676 1.00 0.00 C ATOM 546 NZ LYS A 35 27.004 2.969 3.154 1.00 0.00 N ATOM 547 OXT LYS A 35 27.861 -0.245 -2.149 1.00 0.00 O ATOM 0 H LYS A 35 25.287 0.356 0.313 1.00 0.00 H new ATOM 0 HA LYS A 35 24.913 1.064 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 35 27.267 1.614 -0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 35 26.952 2.469 -1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 35 25.894 3.949 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 35 24.555 2.826 -0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 35 24.820 3.243 1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 35 25.481 1.642 1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 35 27.773 2.584 1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 35 27.130 4.200 1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 27.925 3.287 3.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 26.246 3.529 3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 26.870 1.964 3.385 1.00 0.00 H new TER 561 LYS A 35