USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 278 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 5 TYR OH : rot -12:sc= 0.562 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 162:sc= -1.74! USER MOD Single : A 12 GLN :FLIP amide:sc= -0.458 F(o=-1.6,f=-0.46) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 0.00238 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.241 K(o=-0.24,f=-3.8!) USER MOD Single : A 33 GLN :FLIP amide:sc= -3.21! F(o=-4.5,f=-3.2!) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= -0.134 (180deg=-0.63) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 1.969 -6.866 -2.995 1.00 0.00 N ATOM 43 CA TYR A 5 2.815 -5.720 -2.686 1.00 0.00 C ATOM 44 C TYR A 5 3.973 -6.121 -1.785 1.00 0.00 C ATOM 45 O TYR A 5 5.013 -5.462 -1.757 1.00 0.00 O ATOM 46 CB TYR A 5 2.000 -4.630 -2.003 1.00 0.00 C ATOM 47 CG TYR A 5 0.737 -4.263 -2.736 1.00 0.00 C ATOM 48 CD1 TYR A 5 -0.476 -4.859 -2.419 1.00 0.00 C ATOM 49 CD2 TYR A 5 0.755 -3.302 -3.734 1.00 0.00 C ATOM 50 CE1 TYR A 5 -1.635 -4.507 -3.076 1.00 0.00 C ATOM 51 CE2 TYR A 5 -0.396 -2.947 -4.400 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.592 -3.549 -4.069 1.00 0.00 C ATOM 53 OH TYR A 5 -2.746 -3.194 -4.729 1.00 0.00 O ATOM 0 HA TYR A 5 3.217 -5.341 -3.626 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.742 -4.960 -0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.619 -3.739 -1.897 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.512 -5.611 -1.645 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.688 -2.824 -3.994 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.571 -4.978 -2.816 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.363 -2.200 -5.179 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.453 -3.840 -4.522 1.00 0.00 H new ATOM 63 N SER A 6 3.784 -7.205 -1.044 1.00 0.00 N ATOM 64 CA SER A 6 4.803 -7.699 -0.134 1.00 0.00 C ATOM 65 C SER A 6 6.143 -7.867 -0.850 1.00 0.00 C ATOM 66 O SER A 6 7.202 -7.842 -0.222 1.00 0.00 O ATOM 67 CB SER A 6 4.340 -9.018 0.481 1.00 0.00 C ATOM 68 OG SER A 6 4.684 -10.119 -0.343 1.00 0.00 O ATOM 0 H SER A 6 2.928 -7.760 -1.058 1.00 0.00 H new ATOM 0 HA SER A 6 4.950 -6.970 0.663 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.793 -9.142 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.260 -8.994 0.628 1.00 0.00 H new ATOM 0 HG SER A 6 4.377 -10.950 0.076 1.00 0.00 H new ATOM 74 N SER A 7 6.090 -8.018 -2.173 1.00 0.00 N ATOM 75 CA SER A 7 7.296 -8.167 -2.978 1.00 0.00 C ATOM 76 C SER A 7 7.650 -6.846 -3.662 1.00 0.00 C ATOM 77 O SER A 7 8.803 -6.610 -4.020 1.00 0.00 O ATOM 78 CB SER A 7 7.104 -9.264 -4.026 1.00 0.00 C ATOM 79 OG SER A 7 6.238 -8.835 -5.062 1.00 0.00 O ATOM 0 H SER A 7 5.222 -8.040 -2.708 1.00 0.00 H new ATOM 0 HA SER A 7 8.116 -8.450 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.070 -9.542 -4.447 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.695 -10.156 -3.552 1.00 0.00 H new ATOM 0 HG SER A 7 6.133 -9.554 -5.720 1.00 0.00 H new ATOM 85 N LEU A 8 6.644 -5.988 -3.838 1.00 0.00 N ATOM 86 CA LEU A 8 6.836 -4.688 -4.475 1.00 0.00 C ATOM 87 C LEU A 8 7.888 -3.867 -3.728 1.00 0.00 C ATOM 88 O LEU A 8 8.636 -4.400 -2.908 1.00 0.00 O ATOM 89 CB LEU A 8 5.507 -3.924 -4.514 1.00 0.00 C ATOM 90 CG LEU A 8 4.911 -3.719 -5.908 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.814 -4.738 -6.173 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.369 -2.303 -6.053 1.00 0.00 C ATOM 0 H LEU A 8 5.684 -6.173 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 8 7.187 -4.852 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.781 -4.459 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.655 -2.947 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 8 5.701 -3.863 -6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.401 -4.578 -7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.229 -5.744 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.024 -4.624 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.949 -2.175 -7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.592 -2.133 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.177 -1.587 -5.905 1.00 0.00 H new ATOM 104 N THR A 9 7.935 -2.567 -4.010 1.00 0.00 N ATOM 105 CA THR A 9 8.890 -1.679 -3.360 1.00 0.00 C ATOM 106 C THR A 9 8.168 -0.656 -2.493 1.00 0.00 C ATOM 107 O THR A 9 7.007 -0.328 -2.734 1.00 0.00 O ATOM 108 CB THR A 9 9.760 -0.958 -4.394 1.00 0.00 C ATOM 109 OG1 THR A 9 10.218 0.285 -3.882 1.00 0.00 O ATOM 110 CG2 THR A 9 9.044 -0.679 -5.700 1.00 0.00 C ATOM 0 H THR A 9 7.323 -2.107 -4.684 1.00 0.00 H new ATOM 0 HA THR A 9 9.534 -2.290 -2.727 1.00 0.00 H new ATOM 0 HB THR A 9 10.589 -1.637 -4.594 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.983 0.594 -4.410 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.721 -0.167 -6.384 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.721 -1.620 -6.146 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.174 -0.050 -5.511 1.00 0.00 H new ATOM 118 N VAL A 10 8.871 -0.150 -1.492 1.00 0.00 N ATOM 119 CA VAL A 10 8.307 0.843 -0.590 1.00 0.00 C ATOM 120 C VAL A 10 7.872 2.086 -1.352 1.00 0.00 C ATOM 121 O VAL A 10 6.910 2.749 -0.975 1.00 0.00 O ATOM 122 CB VAL A 10 9.328 1.260 0.483 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.526 0.147 1.501 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.648 1.644 -0.171 1.00 0.00 C ATOM 0 H VAL A 10 9.835 -0.411 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 10 7.442 0.384 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 10 8.941 2.130 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.252 0.464 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.576 -0.075 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.892 -0.747 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.363 1.937 0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.041 0.792 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.487 2.478 -0.854 1.00 0.00 H new ATOM 134 N VAL A 11 8.593 2.397 -2.423 1.00 0.00 N ATOM 135 CA VAL A 11 8.290 3.571 -3.231 1.00 0.00 C ATOM 136 C VAL A 11 6.988 3.396 -3.999 1.00 0.00 C ATOM 137 O VAL A 11 6.172 4.316 -4.079 1.00 0.00 O ATOM 138 CB VAL A 11 9.432 3.874 -4.227 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.773 3.817 -3.521 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.409 2.905 -5.402 1.00 0.00 C ATOM 0 H VAL A 11 9.391 1.853 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 11 8.184 4.410 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 11 9.282 4.880 -4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.569 4.032 -4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.794 4.556 -2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.921 2.822 -3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.224 3.143 -6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.529 1.886 -5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.458 2.992 -5.927 1.00 0.00 H new ATOM 150 N GLN A 12 6.798 2.211 -4.560 1.00 0.00 N ATOM 151 CA GLN A 12 5.596 1.921 -5.320 1.00 0.00 C ATOM 152 C GLN A 12 4.415 1.751 -4.386 1.00 0.00 C ATOM 153 O GLN A 12 3.333 2.282 -4.631 1.00 0.00 O ATOM 154 CB GLN A 12 5.786 0.660 -6.164 1.00 0.00 C ATOM 155 CG GLN A 12 6.592 0.896 -7.432 1.00 0.00 C ATOM 156 CD GLN A 12 6.848 -0.381 -8.209 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.117 -0.668 -8.473 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 5.916 -1.101 -8.568 1.00 0.00 N flip ATOM 0 H GLN A 12 7.460 1.438 -4.502 1.00 0.00 H new ATOM 0 HA GLN A 12 5.399 2.759 -5.989 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.285 -0.099 -5.562 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.808 0.261 -6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.061 1.604 -8.069 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.546 1.355 -7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.955 -0.842 -8.343 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.104 -1.957 -9.090 1.00 0.00 H new ATOM 167 N LEU A 13 4.634 1.003 -3.312 1.00 0.00 N ATOM 168 CA LEU A 13 3.592 0.750 -2.335 1.00 0.00 C ATOM 169 C LEU A 13 3.014 2.049 -1.786 1.00 0.00 C ATOM 170 O LEU A 13 1.798 2.233 -1.760 1.00 0.00 O ATOM 171 CB LEU A 13 4.124 -0.134 -1.204 1.00 0.00 C ATOM 172 CG LEU A 13 3.743 -1.614 -1.324 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.936 -2.440 -1.774 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.203 -2.143 -0.006 1.00 0.00 C ATOM 0 H LEU A 13 5.528 0.561 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 13 2.782 0.220 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.211 -0.052 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.751 0.249 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 13 2.958 -1.699 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.644 -3.487 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.279 -2.085 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.742 -2.342 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.940 -3.195 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.964 -2.039 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.317 -1.575 0.278 1.00 0.00 H new ATOM 186 N LYS A 14 3.882 2.951 -1.348 1.00 0.00 N ATOM 187 CA LYS A 14 3.432 4.224 -0.803 1.00 0.00 C ATOM 188 C LYS A 14 2.922 5.158 -1.900 1.00 0.00 C ATOM 189 O LYS A 14 2.013 5.953 -1.668 1.00 0.00 O ATOM 190 CB LYS A 14 4.561 4.900 -0.030 1.00 0.00 C ATOM 191 CG LYS A 14 5.692 5.397 -0.911 1.00 0.00 C ATOM 192 CD LYS A 14 6.736 6.162 -0.110 1.00 0.00 C ATOM 193 CE LYS A 14 6.103 7.254 0.739 1.00 0.00 C ATOM 194 NZ LYS A 14 6.898 8.514 0.710 1.00 0.00 N ATOM 0 H LYS A 14 4.894 2.826 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 14 2.604 4.016 -0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.153 5.741 0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.963 4.196 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.164 4.550 -1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.289 6.042 -1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.280 5.470 0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.464 6.605 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.094 7.454 0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.012 6.906 1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.432 9.232 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.854 8.330 1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.964 8.861 -0.268 1.00 0.00 H new ATOM 208 N ASP A 15 3.507 5.063 -3.092 1.00 0.00 N ATOM 209 CA ASP A 15 3.094 5.911 -4.203 1.00 0.00 C ATOM 210 C ASP A 15 1.666 5.583 -4.617 1.00 0.00 C ATOM 211 O ASP A 15 0.816 6.469 -4.750 1.00 0.00 O ATOM 212 CB ASP A 15 4.045 5.736 -5.390 1.00 0.00 C ATOM 213 CG ASP A 15 3.735 6.688 -6.529 1.00 0.00 C ATOM 214 OD1 ASP A 15 4.681 7.311 -7.056 1.00 0.00 O ATOM 215 OD2 ASP A 15 2.547 6.810 -6.893 1.00 0.00 O ATOM 0 H ASP A 15 4.262 4.413 -3.310 1.00 0.00 H new ATOM 0 HA ASP A 15 3.132 6.951 -3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.070 5.896 -5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.984 4.710 -5.752 1.00 0.00 H new ATOM 220 N LEU A 16 1.401 4.298 -4.797 1.00 0.00 N ATOM 221 CA LEU A 16 0.077 3.851 -5.173 1.00 0.00 C ATOM 222 C LEU A 16 -0.875 4.050 -3.999 1.00 0.00 C ATOM 223 O LEU A 16 -2.065 4.324 -4.179 1.00 0.00 O ATOM 224 CB LEU A 16 0.134 2.387 -5.639 1.00 0.00 C ATOM 225 CG LEU A 16 -0.318 1.318 -4.632 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.310 0.361 -5.272 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.879 0.550 -4.099 1.00 0.00 C ATOM 0 H LEU A 16 2.087 3.551 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.300 4.441 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.481 2.292 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.160 2.164 -5.932 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.810 1.822 -3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.617 -0.387 -4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.184 0.916 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.841 -0.133 -6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.541 -0.203 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.395 0.062 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.561 1.239 -3.601 1.00 0.00 H new ATOM 239 N LEU A 17 -0.334 3.927 -2.786 1.00 0.00 N ATOM 240 CA LEU A 17 -1.126 4.105 -1.580 1.00 0.00 C ATOM 241 C LEU A 17 -1.798 5.469 -1.587 1.00 0.00 C ATOM 242 O LEU A 17 -3.023 5.576 -1.516 1.00 0.00 O ATOM 243 CB LEU A 17 -0.225 4.014 -0.351 1.00 0.00 C ATOM 244 CG LEU A 17 -0.137 2.643 0.307 1.00 0.00 C ATOM 245 CD1 LEU A 17 0.910 2.657 1.406 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.487 2.225 0.860 1.00 0.00 C ATOM 0 H LEU A 17 0.647 3.705 -2.618 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.884 3.323 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.780 4.324 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.580 4.730 0.390 1.00 0.00 H new ATOM 0 HG LEU A 17 0.159 1.914 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.964 1.672 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.881 2.912 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.638 3.397 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.401 1.243 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.817 2.951 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.214 2.180 0.049 1.00 0.00 H new ATOM 258 N THR A 18 -0.983 6.512 -1.708 1.00 0.00 N ATOM 259 CA THR A 18 -1.503 7.870 -1.753 1.00 0.00 C ATOM 260 C THR A 18 -2.372 8.032 -2.989 1.00 0.00 C ATOM 261 O THR A 18 -3.356 8.771 -2.978 1.00 0.00 O ATOM 262 CB THR A 18 -0.378 8.922 -1.731 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.728 10.052 -2.513 1.00 0.00 O ATOM 264 CG2 THR A 18 0.956 8.419 -2.237 1.00 0.00 C ATOM 0 H THR A 18 0.032 6.442 -1.776 1.00 0.00 H new ATOM 0 HA THR A 18 -2.103 8.037 -0.859 1.00 0.00 H new ATOM 0 HB THR A 18 -0.266 9.178 -0.677 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.001 10.708 -2.484 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.691 9.223 -2.187 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.288 7.585 -1.619 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.852 8.087 -3.270 1.00 0.00 H new ATOM 272 N LYS A 19 -2.015 7.313 -4.052 1.00 0.00 N ATOM 273 CA LYS A 19 -2.785 7.363 -5.284 1.00 0.00 C ATOM 274 C LYS A 19 -4.233 6.956 -5.018 1.00 0.00 C ATOM 275 O LYS A 19 -5.155 7.469 -5.653 1.00 0.00 O ATOM 276 CB LYS A 19 -2.168 6.450 -6.344 1.00 0.00 C ATOM 277 CG LYS A 19 -1.220 7.167 -7.290 1.00 0.00 C ATOM 278 CD LYS A 19 -0.394 6.182 -8.102 1.00 0.00 C ATOM 279 CE LYS A 19 -0.219 6.651 -9.537 1.00 0.00 C ATOM 280 NZ LYS A 19 -0.118 5.509 -10.486 1.00 0.00 N ATOM 0 H LYS A 19 -1.204 6.695 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.768 8.387 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.630 5.643 -5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.968 5.990 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.791 7.807 -7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.556 7.816 -6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.584 6.056 -7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.879 5.206 -8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.062 7.283 -9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.678 7.265 -9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.000 5.871 -11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.701 4.920 -10.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.985 4.937 -10.434 1.00 0.00 H new ATOM 351 N SER A 23 -3.060 6.427 2.181 1.00 0.00 N ATOM 352 CA SER A 23 -1.907 7.071 2.814 1.00 0.00 C ATOM 353 C SER A 23 -0.743 6.102 2.900 1.00 0.00 C ATOM 354 O SER A 23 -0.825 4.969 2.430 1.00 0.00 O ATOM 355 CB SER A 23 -2.209 7.590 4.217 1.00 0.00 C ATOM 356 OG SER A 23 -2.832 8.862 4.175 1.00 0.00 O ATOM 0 HA SER A 23 -1.655 7.925 2.185 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.856 6.883 4.736 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.284 7.655 4.789 1.00 0.00 H new ATOM 0 HG SER A 23 -3.015 9.167 5.088 1.00 0.00 H new ATOM 362 N VAL A 24 0.346 6.563 3.493 1.00 0.00 N ATOM 363 CA VAL A 24 1.538 5.750 3.627 1.00 0.00 C ATOM 364 C VAL A 24 2.127 5.823 5.035 1.00 0.00 C ATOM 365 O VAL A 24 3.163 5.220 5.307 1.00 0.00 O ATOM 366 CB VAL A 24 2.590 6.201 2.610 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.937 6.388 1.253 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.252 7.490 3.073 1.00 0.00 C ATOM 0 H VAL A 24 0.427 7.499 3.890 1.00 0.00 H new ATOM 0 HA VAL A 24 1.252 4.715 3.438 1.00 0.00 H new ATOM 0 HB VAL A 24 3.362 5.436 2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.687 6.709 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.499 5.445 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.156 7.145 1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.998 7.799 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.498 8.270 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.736 7.325 4.036 1.00 0.00 H new ATOM 378 N GLY A 25 1.467 6.558 5.926 1.00 0.00 N ATOM 379 CA GLY A 25 1.951 6.671 7.291 1.00 0.00 C ATOM 380 C GLY A 25 1.816 5.363 8.050 1.00 0.00 C ATOM 381 O GLY A 25 1.160 5.301 9.089 1.00 0.00 O ATOM 0 H GLY A 25 0.610 7.075 5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.997 6.979 7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.394 7.451 7.810 1.00 0.00 H new ATOM 385 N GLY A 26 2.438 4.316 7.518 1.00 0.00 N ATOM 386 CA GLY A 26 2.387 3.010 8.138 1.00 0.00 C ATOM 387 C GLY A 26 3.699 2.275 7.977 1.00 0.00 C ATOM 388 O GLY A 26 4.581 2.374 8.827 1.00 0.00 O ATOM 0 H GLY A 26 2.983 4.353 6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.155 3.117 9.198 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.582 2.425 7.693 1.00 0.00 H new ATOM 392 N LEU A 27 3.824 1.542 6.873 1.00 0.00 N ATOM 393 CA LEU A 27 5.029 0.781 6.562 1.00 0.00 C ATOM 394 C LEU A 27 4.758 -0.164 5.401 1.00 0.00 C ATOM 395 O LEU A 27 3.608 -0.400 5.053 1.00 0.00 O ATOM 396 CB LEU A 27 5.489 -0.011 7.783 1.00 0.00 C ATOM 397 CG LEU A 27 6.921 0.275 8.239 1.00 0.00 C ATOM 398 CD1 LEU A 27 7.919 -0.267 7.230 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.136 1.769 8.448 1.00 0.00 C ATOM 0 H LEU A 27 3.091 1.460 6.169 1.00 0.00 H new ATOM 0 HA LEU A 27 5.820 1.477 6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.812 0.200 8.610 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.400 -1.075 7.562 1.00 0.00 H new ATOM 0 HG LEU A 27 7.080 -0.229 9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.932 -0.055 7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.788 -1.345 7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.754 0.209 6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.161 1.947 8.772 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.954 2.297 7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.446 2.133 9.210 1.00 0.00 H new ATOM 411 N LYS A 28 5.816 -0.704 4.801 1.00 0.00 N ATOM 412 CA LYS A 28 5.657 -1.624 3.678 1.00 0.00 C ATOM 413 C LYS A 28 4.615 -2.692 3.998 1.00 0.00 C ATOM 414 O LYS A 28 3.609 -2.815 3.302 1.00 0.00 O ATOM 415 CB LYS A 28 6.993 -2.280 3.324 1.00 0.00 C ATOM 416 CG LYS A 28 7.160 -2.542 1.836 1.00 0.00 C ATOM 417 CD LYS A 28 8.527 -3.127 1.521 1.00 0.00 C ATOM 418 CE LYS A 28 8.546 -3.787 0.152 1.00 0.00 C ATOM 419 NZ LYS A 28 9.549 -4.886 0.078 1.00 0.00 N ATOM 0 H LYS A 28 6.783 -0.523 5.070 1.00 0.00 H new ATOM 0 HA LYS A 28 5.312 -1.050 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.806 -1.640 3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.081 -3.223 3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.383 -3.228 1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.026 -1.611 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.279 -2.339 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.796 -3.859 2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.556 -4.183 -0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.771 -3.039 -0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.677 -5.173 -0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.457 -4.554 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.215 -5.699 0.633 1.00 0.00 H new ATOM 433 N ASN A 29 4.846 -3.446 5.070 1.00 0.00 N ATOM 434 CA ASN A 29 3.909 -4.484 5.483 1.00 0.00 C ATOM 435 C ASN A 29 2.516 -3.889 5.648 1.00 0.00 C ATOM 436 O ASN A 29 1.523 -4.450 5.181 1.00 0.00 O ATOM 437 CB ASN A 29 4.365 -5.128 6.794 1.00 0.00 C ATOM 438 CG ASN A 29 4.754 -4.099 7.839 1.00 0.00 C ATOM 439 OD1 ASN A 29 5.777 -3.425 7.712 1.00 0.00 O ATOM 440 ND2 ASN A 29 3.938 -3.974 8.878 1.00 0.00 N ATOM 0 H ASN A 29 5.670 -3.358 5.665 1.00 0.00 H new ATOM 0 HA ASN A 29 3.879 -5.254 4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.564 -5.755 7.186 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.215 -5.782 6.598 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.148 -3.298 9.613 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.101 -4.554 8.942 1.00 0.00 H new ATOM 447 N GLU A 30 2.462 -2.730 6.293 1.00 0.00 N ATOM 448 CA GLU A 30 1.204 -2.029 6.501 1.00 0.00 C ATOM 449 C GLU A 30 0.633 -1.578 5.169 1.00 0.00 C ATOM 450 O GLU A 30 -0.580 -1.497 4.995 1.00 0.00 O ATOM 451 CB GLU A 30 1.424 -0.820 7.411 1.00 0.00 C ATOM 452 CG GLU A 30 1.217 -1.124 8.886 1.00 0.00 C ATOM 453 CD GLU A 30 0.459 -0.027 9.607 1.00 0.00 C ATOM 454 OE1 GLU A 30 1.088 0.707 10.399 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.762 0.100 9.379 1.00 0.00 O ATOM 0 H GLU A 30 3.277 -2.256 6.681 1.00 0.00 H new ATOM 0 HA GLU A 30 0.496 -2.707 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.437 -0.445 7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.743 -0.023 7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.673 -2.063 8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.187 -1.265 9.364 1.00 0.00 H new ATOM 462 N TRP A 31 1.522 -1.297 4.228 1.00 0.00 N ATOM 463 CA TRP A 31 1.128 -0.852 2.907 1.00 0.00 C ATOM 464 C TRP A 31 0.532 -2.000 2.112 1.00 0.00 C ATOM 465 O TRP A 31 -0.485 -1.839 1.445 1.00 0.00 O ATOM 466 CB TRP A 31 2.338 -0.244 2.202 1.00 0.00 C ATOM 467 CG TRP A 31 2.821 1.001 2.878 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.182 1.682 3.875 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.036 1.715 2.622 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.913 2.781 4.239 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.057 2.819 3.494 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.108 1.534 1.743 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.099 3.733 3.515 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.147 2.445 1.769 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.138 3.532 2.650 1.00 0.00 C ATOM 0 H TRP A 31 2.531 -1.372 4.361 1.00 0.00 H new ATOM 0 HA TRP A 31 0.356 -0.088 2.991 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.145 -0.976 2.173 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.077 -0.016 1.168 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.237 1.395 4.313 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.646 3.461 4.951 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.124 0.699 1.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.090 4.575 4.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.982 2.315 1.096 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.967 4.224 2.646 1.00 0.00 H new ATOM 486 N VAL A 32 1.147 -3.168 2.212 1.00 0.00 N ATOM 487 CA VAL A 32 0.641 -4.342 1.522 1.00 0.00 C ATOM 488 C VAL A 32 -0.755 -4.669 2.030 1.00 0.00 C ATOM 489 O VAL A 32 -1.655 -4.978 1.254 1.00 0.00 O ATOM 490 CB VAL A 32 1.543 -5.573 1.730 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.113 -6.706 0.809 1.00 0.00 C ATOM 492 CG2 VAL A 32 3.006 -5.218 1.506 1.00 0.00 C ATOM 0 H VAL A 32 1.992 -3.327 2.761 1.00 0.00 H new ATOM 0 HA VAL A 32 0.623 -4.110 0.457 1.00 0.00 H new ATOM 0 HB VAL A 32 1.435 -5.908 2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.760 -7.569 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.081 -6.981 1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.190 -6.381 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.623 -6.104 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.140 -4.854 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.304 -4.442 2.211 1.00 0.00 H new ATOM 502 N GLN A 33 -0.932 -4.574 3.344 1.00 0.00 N ATOM 503 CA GLN A 33 -2.225 -4.843 3.952 1.00 0.00 C ATOM 504 C GLN A 33 -3.200 -3.721 3.616 1.00 0.00 C ATOM 505 O GLN A 33 -4.379 -3.961 3.365 1.00 0.00 O ATOM 506 CB GLN A 33 -2.084 -4.988 5.468 1.00 0.00 C ATOM 507 CG GLN A 33 -1.606 -6.364 5.905 1.00 0.00 C ATOM 508 CD GLN A 33 -0.304 -6.769 5.241 1.00 0.00 C ATOM 509 OE1 GLN A 33 -0.386 -7.189 3.982 1.00 0.00 O flip ATOM 510 NE2 GLN A 33 0.764 -6.708 5.851 1.00 0.00 N flip ATOM 0 H GLN A 33 -0.199 -4.314 4.003 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.612 -5.780 3.552 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.384 -4.236 5.833 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.047 -4.781 5.936 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.475 -6.372 6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.373 -7.102 5.671 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.782 -6.380 6.817 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.631 -6.986 5.391 1.00 0.00 H new ATOM 519 N ARG A 34 -2.688 -2.493 3.599 1.00 0.00 N ATOM 520 CA ARG A 34 -3.503 -1.329 3.278 1.00 0.00 C ATOM 521 C ARG A 34 -4.046 -1.441 1.860 1.00 0.00 C ATOM 522 O ARG A 34 -5.230 -1.214 1.609 1.00 0.00 O ATOM 523 CB ARG A 34 -2.679 -0.048 3.433 1.00 0.00 C ATOM 524 CG ARG A 34 -2.533 0.380 4.868 1.00 0.00 C ATOM 525 CD ARG A 34 -2.739 1.865 5.036 1.00 0.00 C ATOM 526 NE ARG A 34 -1.483 2.493 5.383 1.00 0.00 N ATOM 527 CZ ARG A 34 -1.380 3.723 5.877 1.00 0.00 C ATOM 528 NH1 ARG A 34 -2.464 4.467 6.057 1.00 0.00 N ATOM 529 NH2 ARG A 34 -0.193 4.214 6.193 1.00 0.00 N ATOM 0 H ARG A 34 -1.712 -2.280 3.804 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.344 -1.288 3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.690 -0.203 3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.152 0.754 2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.254 -0.158 5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.541 0.108 5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.129 2.295 4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.479 2.054 5.814 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.625 1.960 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.383 4.096 5.816 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.378 5.410 6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.645 3.649 6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.116 5.158 6.572 1.00 0.00 H new ATOM 543 N LEU A 35 -3.166 -1.808 0.940 1.00 0.00 N ATOM 544 CA LEU A 35 -3.534 -1.966 -0.453 1.00 0.00 C ATOM 545 C LEU A 35 -4.393 -3.208 -0.645 1.00 0.00 C ATOM 546 O LEU A 35 -5.478 -3.140 -1.224 1.00 0.00 O ATOM 547 CB LEU A 35 -2.271 -2.058 -1.301 1.00 0.00 C ATOM 548 CG LEU A 35 -1.319 -0.876 -1.157 1.00 0.00 C ATOM 549 CD1 LEU A 35 0.036 -1.234 -1.727 1.00 0.00 C ATOM 550 CD2 LEU A 35 -1.883 0.352 -1.846 1.00 0.00 C ATOM 0 H LEU A 35 -2.185 -2.003 1.139 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.118 -1.101 -0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.738 -2.971 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.559 -2.150 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.204 -0.644 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.711 -0.385 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.442 -2.090 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.068 -1.485 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.189 1.184 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.026 0.141 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.841 0.614 -1.396 1.00 0.00 H new ATOM 562 N ILE A 36 -3.914 -4.341 -0.137 1.00 0.00 N ATOM 563 CA ILE A 36 -4.653 -5.592 -0.244 1.00 0.00 C ATOM 564 C ILE A 36 -6.075 -5.405 0.279 1.00 0.00 C ATOM 565 O ILE A 36 -7.037 -5.905 -0.306 1.00 0.00 O ATOM 566 CB ILE A 36 -3.959 -6.728 0.545 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.641 -7.132 -0.127 1.00 0.00 C ATOM 568 CG2 ILE A 36 -4.876 -7.939 0.668 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.828 -8.104 0.700 1.00 0.00 C ATOM 0 H ILE A 36 -3.021 -4.417 0.350 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.681 -5.873 -1.297 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.739 -6.354 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.857 -7.581 -1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.047 -6.238 -0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.368 -8.725 1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.788 -7.653 1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.129 -8.306 -0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.908 -8.351 0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.584 -7.649 1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.406 -9.013 0.866 1.00 0.00 H new ATOM 581 N LYS A 37 -6.199 -4.659 1.373 1.00 0.00 N ATOM 582 CA LYS A 37 -7.499 -4.385 1.959 1.00 0.00 C ATOM 583 C LYS A 37 -8.262 -3.409 1.081 1.00 0.00 C ATOM 584 O LYS A 37 -9.488 -3.467 0.989 1.00 0.00 O ATOM 585 CB LYS A 37 -7.347 -3.818 3.372 1.00 0.00 C ATOM 586 CG LYS A 37 -8.554 -4.071 4.261 1.00 0.00 C ATOM 587 CD LYS A 37 -8.648 -5.534 4.666 1.00 0.00 C ATOM 588 CE LYS A 37 -9.670 -5.742 5.772 1.00 0.00 C ATOM 589 NZ LYS A 37 -9.320 -4.981 7.003 1.00 0.00 N ATOM 0 H LYS A 37 -5.414 -4.236 1.868 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.057 -5.319 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.465 -4.257 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.173 -2.744 3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.487 -3.448 5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.463 -3.778 3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.921 -6.136 3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.671 -5.883 5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.654 -5.431 5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.737 -6.804 6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.791 -5.413 7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.290 -5.003 7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.634 -3.995 6.903 1.00 0.00 H new ATOM 603 N ASP A 38 -7.526 -2.513 0.424 1.00 0.00 N ATOM 604 CA ASP A 38 -8.140 -1.535 -0.456 1.00 0.00 C ATOM 605 C ASP A 38 -8.781 -2.230 -1.650 1.00 0.00 C ATOM 606 O ASP A 38 -9.917 -1.932 -2.022 1.00 0.00 O ATOM 607 CB ASP A 38 -7.103 -0.519 -0.936 1.00 0.00 C ATOM 608 CG ASP A 38 -7.711 0.548 -1.825 1.00 0.00 C ATOM 609 OD1 ASP A 38 -7.566 0.444 -3.062 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.335 1.486 -1.286 1.00 0.00 O ATOM 0 H ASP A 38 -6.510 -2.449 0.488 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.912 -1.006 0.102 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.635 -0.046 -0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.315 -1.038 -1.482 1.00 0.00 H new ATOM 615 N ASP A 39 -8.046 -3.166 -2.241 1.00 0.00 N ATOM 616 CA ASP A 39 -8.538 -3.918 -3.387 1.00 0.00 C ATOM 617 C ASP A 39 -9.612 -4.910 -2.954 1.00 0.00 C ATOM 618 O ASP A 39 -10.500 -5.259 -3.732 1.00 0.00 O ATOM 619 CB ASP A 39 -7.387 -4.659 -4.070 1.00 0.00 C ATOM 620 CG ASP A 39 -6.579 -3.756 -4.982 1.00 0.00 C ATOM 621 OD1 ASP A 39 -5.354 -3.974 -5.099 1.00 0.00 O ATOM 622 OD2 ASP A 39 -7.171 -2.833 -5.579 1.00 0.00 O ATOM 0 H ASP A 39 -7.105 -3.422 -1.943 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.976 -3.216 -4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.731 -5.085 -3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.787 -5.492 -4.649 1.00 0.00 H new ATOM 627 N GLU A 40 -9.526 -5.356 -1.704 1.00 0.00 N ATOM 628 CA GLU A 40 -10.492 -6.304 -1.161 1.00 0.00 C ATOM 629 C GLU A 40 -11.841 -5.634 -0.927 1.00 0.00 C ATOM 630 O GLU A 40 -12.872 -6.302 -0.859 1.00 0.00 O ATOM 631 CB GLU A 40 -9.969 -6.909 0.144 1.00 0.00 C ATOM 632 CG GLU A 40 -9.346 -8.285 -0.031 1.00 0.00 C ATOM 633 CD GLU A 40 -9.612 -9.199 1.149 1.00 0.00 C ATOM 634 OE1 GLU A 40 -10.519 -10.052 1.047 1.00 0.00 O ATOM 635 OE2 GLU A 40 -8.914 -9.062 2.176 1.00 0.00 O ATOM 0 H GLU A 40 -8.797 -5.076 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.629 -7.103 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.228 -6.236 0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.790 -6.979 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.738 -8.745 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.270 -8.178 -0.168 1.00 0.00 H new