USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=9 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 Set 1.1: A 29 ASN : amide:sc= 0.0631 K(o=-0.19,f=-3.9!) USER MOD Set 1.2: A 33 GLN :FLIP amide:sc= -0.249 F(o=-3.7!,f=-0.19) USER MOD Single : A 5 TYR OH : rot 9:sc= 0.00678 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 164:sc= -1.32! USER MOD Single : A 12 GLN : amide:sc= -2.94! C(o=-2.9!,f=-2.6!) 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 24:sc= 0.0863 USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= -0.0186 (180deg=-0.0187) USER MOD Single : A 37 LYS NZ :NH3+ -155:sc= -0.0142 (180deg=-0.369) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 2.074 -6.502 -3.094 1.00 0.00 N ATOM 43 CA TYR A 5 2.915 -5.418 -2.609 1.00 0.00 C ATOM 44 C TYR A 5 4.045 -5.941 -1.732 1.00 0.00 C ATOM 45 O TYR A 5 5.139 -5.377 -1.712 1.00 0.00 O ATOM 46 CB TYR A 5 2.073 -4.414 -1.833 1.00 0.00 C ATOM 47 CG TYR A 5 0.809 -4.024 -2.555 1.00 0.00 C ATOM 48 CD1 TYR A 5 -0.411 -4.596 -2.221 1.00 0.00 C ATOM 49 CD2 TYR A 5 0.838 -3.085 -3.574 1.00 0.00 C ATOM 50 CE1 TYR A 5 -1.567 -4.242 -2.884 1.00 0.00 C ATOM 51 CE2 TYR A 5 -0.308 -2.725 -4.242 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.512 -3.306 -3.896 1.00 0.00 C ATOM 53 OH TYR A 5 -2.662 -2.947 -4.562 1.00 0.00 O ATOM 0 HA TYR A 5 3.362 -4.925 -3.473 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.815 -4.838 -0.863 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.667 -3.520 -1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.455 -5.330 -1.430 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.778 -2.628 -3.848 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.509 -4.695 -2.613 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.267 -1.991 -5.034 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.438 -3.334 -4.106 1.00 0.00 H new ATOM 63 N SER A 6 3.775 -7.024 -1.013 1.00 0.00 N ATOM 64 CA SER A 6 4.770 -7.627 -0.137 1.00 0.00 C ATOM 65 C SER A 6 6.086 -7.853 -0.880 1.00 0.00 C ATOM 66 O SER A 6 7.154 -7.900 -0.271 1.00 0.00 O ATOM 67 CB SER A 6 4.239 -8.945 0.429 1.00 0.00 C ATOM 68 OG SER A 6 5.102 -9.456 1.430 1.00 0.00 O ATOM 0 H SER A 6 2.874 -7.502 -1.020 1.00 0.00 H new ATOM 0 HA SER A 6 4.965 -6.942 0.688 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.244 -8.790 0.847 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.137 -9.674 -0.375 1.00 0.00 H new ATOM 0 HG SER A 6 4.739 -10.298 1.776 1.00 0.00 H new ATOM 74 N SER A 7 6.000 -7.978 -2.203 1.00 0.00 N ATOM 75 CA SER A 7 7.181 -8.180 -3.034 1.00 0.00 C ATOM 76 C SER A 7 7.576 -6.882 -3.738 1.00 0.00 C ATOM 77 O SER A 7 8.734 -6.696 -4.113 1.00 0.00 O ATOM 78 CB SER A 7 6.921 -9.278 -4.069 1.00 0.00 C ATOM 79 OG SER A 7 8.129 -9.907 -4.459 1.00 0.00 O ATOM 0 H SER A 7 5.122 -7.943 -2.721 1.00 0.00 H new ATOM 0 HA SER A 7 8.003 -8.488 -2.388 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.239 -10.020 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.432 -8.849 -4.944 1.00 0.00 H new ATOM 0 HG SER A 7 7.936 -10.605 -5.119 1.00 0.00 H new ATOM 85 N LEU A 8 6.606 -5.985 -3.908 1.00 0.00 N ATOM 86 CA LEU A 8 6.849 -4.701 -4.560 1.00 0.00 C ATOM 87 C LEU A 8 7.898 -3.901 -3.790 1.00 0.00 C ATOM 88 O LEU A 8 8.620 -4.451 -2.958 1.00 0.00 O ATOM 89 CB LEU A 8 5.541 -3.907 -4.648 1.00 0.00 C ATOM 90 CG LEU A 8 4.968 -3.729 -6.056 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.788 -4.662 -6.268 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.547 -2.284 -6.284 1.00 0.00 C ATOM 0 H LEU A 8 5.643 -6.125 -3.602 1.00 0.00 H new ATOM 0 HA LEU A 8 7.224 -4.884 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.793 -4.405 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.706 -2.920 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 8 5.745 -3.979 -6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.391 -4.524 -7.274 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.114 -5.695 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.011 -4.438 -5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.142 -2.177 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.785 -2.008 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.412 -1.631 -6.170 1.00 0.00 H new ATOM 104 N THR A 9 7.972 -2.599 -4.059 1.00 0.00 N ATOM 105 CA THR A 9 8.928 -1.735 -3.376 1.00 0.00 C ATOM 106 C THR A 9 8.201 -0.705 -2.520 1.00 0.00 C ATOM 107 O THR A 9 7.039 -0.385 -2.763 1.00 0.00 O ATOM 108 CB THR A 9 9.850 -1.024 -4.374 1.00 0.00 C ATOM 109 OG1 THR A 9 10.300 0.214 -3.845 1.00 0.00 O ATOM 110 CG2 THR A 9 9.201 -0.737 -5.713 1.00 0.00 C ATOM 0 H THR A 9 7.384 -2.122 -4.742 1.00 0.00 H new ATOM 0 HA THR A 9 9.541 -2.366 -2.733 1.00 0.00 H new ATOM 0 HB THR A 9 10.676 -1.717 -4.536 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.071 0.530 -4.361 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.916 -0.233 -6.363 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.888 -1.674 -6.174 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.331 -0.097 -5.566 1.00 0.00 H new ATOM 118 N VAL A 10 8.900 -0.189 -1.521 1.00 0.00 N ATOM 119 CA VAL A 10 8.334 0.808 -0.625 1.00 0.00 C ATOM 120 C VAL A 10 7.938 2.065 -1.382 1.00 0.00 C ATOM 121 O VAL A 10 6.993 2.751 -1.004 1.00 0.00 O ATOM 122 CB VAL A 10 9.338 1.203 0.470 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.526 0.069 1.466 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.663 1.603 -0.163 1.00 0.00 C ATOM 0 H VAL A 10 9.864 -0.445 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 10 7.451 0.357 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 10 8.943 2.059 1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.241 0.372 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.570 -0.166 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.902 -0.813 0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.370 1.882 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.063 0.763 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.506 2.451 -0.830 1.00 0.00 H new ATOM 134 N VAL A 11 8.677 2.370 -2.445 1.00 0.00 N ATOM 135 CA VAL A 11 8.413 3.560 -3.244 1.00 0.00 C ATOM 136 C VAL A 11 7.111 3.433 -4.021 1.00 0.00 C ATOM 137 O VAL A 11 6.304 4.363 -4.061 1.00 0.00 O ATOM 138 CB VAL A 11 9.570 3.845 -4.225 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.904 3.749 -3.507 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.536 2.890 -5.411 1.00 0.00 C ATOM 0 H VAL A 11 9.463 1.809 -2.772 1.00 0.00 H new ATOM 0 HA VAL A 11 8.326 4.394 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 11 9.446 4.858 -4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.711 3.952 -4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.935 4.479 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.025 2.747 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.363 3.116 -6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.628 1.864 -5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.592 3.006 -5.944 1.00 0.00 H new ATOM 150 N GLN A 12 6.907 2.274 -4.631 1.00 0.00 N ATOM 151 CA GLN A 12 5.697 2.033 -5.401 1.00 0.00 C ATOM 152 C GLN A 12 4.519 1.843 -4.468 1.00 0.00 C ATOM 153 O GLN A 12 3.423 2.340 -4.721 1.00 0.00 O ATOM 154 CB GLN A 12 5.853 0.804 -6.297 1.00 0.00 C ATOM 155 CG GLN A 12 6.128 1.145 -7.751 1.00 0.00 C ATOM 156 CD GLN A 12 7.602 1.350 -8.036 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.085 2.482 -8.089 1.00 0.00 O ATOM 158 NE2 GLN A 12 8.327 0.254 -8.225 1.00 0.00 N ATOM 0 H GLN A 12 7.560 1.491 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 12 5.519 2.901 -6.037 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.668 0.188 -5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.945 0.204 -6.238 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.748 0.345 -8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.582 2.050 -8.017 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.886 -0.664 -8.172 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.325 0.330 -8.423 1.00 0.00 H new ATOM 167 N LEU A 13 4.760 1.115 -3.386 1.00 0.00 N ATOM 168 CA LEU A 13 3.727 0.844 -2.404 1.00 0.00 C ATOM 169 C LEU A 13 3.117 2.136 -1.872 1.00 0.00 C ATOM 170 O LEU A 13 1.907 2.334 -1.939 1.00 0.00 O ATOM 171 CB LEU A 13 4.291 0.011 -1.252 1.00 0.00 C ATOM 172 CG LEU A 13 3.894 -1.465 -1.275 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.944 -2.285 -2.001 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.693 -1.990 0.136 1.00 0.00 C ATOM 0 H LEU A 13 5.667 0.701 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 13 2.938 0.276 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.379 0.081 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.959 0.448 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 13 2.950 -1.557 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.646 -3.333 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.040 -1.928 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.902 -2.184 -1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.411 -3.042 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.620 -1.884 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.903 -1.421 0.627 1.00 0.00 H new ATOM 186 N LYS A 14 3.958 3.014 -1.342 1.00 0.00 N ATOM 187 CA LYS A 14 3.482 4.278 -0.800 1.00 0.00 C ATOM 188 C LYS A 14 3.004 5.215 -1.906 1.00 0.00 C ATOM 189 O LYS A 14 2.070 5.990 -1.707 1.00 0.00 O ATOM 190 CB LYS A 14 4.578 4.952 0.020 1.00 0.00 C ATOM 191 CG LYS A 14 5.768 5.402 -0.809 1.00 0.00 C ATOM 192 CD LYS A 14 6.786 6.165 0.028 1.00 0.00 C ATOM 193 CE LYS A 14 6.123 7.219 0.902 1.00 0.00 C ATOM 194 NZ LYS A 14 6.951 8.451 1.013 1.00 0.00 N ATOM 0 H LYS A 14 4.966 2.875 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 14 2.633 4.061 -0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.156 5.816 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.922 4.260 0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.247 4.532 -1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.423 6.035 -1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.337 5.466 0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.512 6.643 -0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.148 7.474 0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.949 6.808 1.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.464 9.144 1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.872 8.213 1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.096 8.858 0.067 1.00 0.00 H new ATOM 208 N ASP A 15 3.637 5.138 -3.073 1.00 0.00 N ATOM 209 CA ASP A 15 3.252 5.983 -4.197 1.00 0.00 C ATOM 210 C ASP A 15 1.826 5.663 -4.622 1.00 0.00 C ATOM 211 O ASP A 15 0.972 6.549 -4.730 1.00 0.00 O ATOM 212 CB ASP A 15 4.216 5.779 -5.370 1.00 0.00 C ATOM 213 CG ASP A 15 3.864 6.640 -6.567 1.00 0.00 C ATOM 214 OD1 ASP A 15 3.999 6.153 -7.709 1.00 0.00 O ATOM 215 OD2 ASP A 15 3.452 7.801 -6.362 1.00 0.00 O ATOM 0 H ASP A 15 4.413 4.504 -3.264 1.00 0.00 H new ATOM 0 HA ASP A 15 3.301 7.027 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.231 6.010 -5.046 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.207 4.730 -5.666 1.00 0.00 H new ATOM 220 N LEU A 16 1.565 4.381 -4.831 1.00 0.00 N ATOM 221 CA LEU A 16 0.243 3.930 -5.213 1.00 0.00 C ATOM 222 C LEU A 16 -0.721 4.166 -4.062 1.00 0.00 C ATOM 223 O LEU A 16 -1.905 4.404 -4.270 1.00 0.00 O ATOM 224 CB LEU A 16 0.285 2.447 -5.621 1.00 0.00 C ATOM 225 CG LEU A 16 -0.294 1.438 -4.613 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.171 0.414 -5.311 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.825 0.741 -3.858 1.00 0.00 C ATOM 0 H LEU A 16 2.256 3.636 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.106 4.497 -6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.255 2.337 -6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.323 2.177 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.910 1.988 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.567 -0.287 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.996 0.922 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.580 -0.129 -6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.399 0.031 -3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.464 0.210 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.416 1.481 -3.319 1.00 0.00 H new ATOM 239 N LEU A 17 -0.196 4.082 -2.842 1.00 0.00 N ATOM 240 CA LEU A 17 -1.002 4.272 -1.647 1.00 0.00 C ATOM 241 C LEU A 17 -1.659 5.640 -1.630 1.00 0.00 C ATOM 242 O LEU A 17 -2.881 5.756 -1.531 1.00 0.00 O ATOM 243 CB LEU A 17 -0.124 4.141 -0.413 1.00 0.00 C ATOM 244 CG LEU A 17 -0.031 2.744 0.169 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.016 2.711 1.270 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.392 2.304 0.685 1.00 0.00 C ATOM 0 H LEU A 17 0.787 3.883 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.781 3.509 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.881 4.480 -0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.504 4.813 0.356 1.00 0.00 H new ATOM 0 HG LEU A 17 0.275 2.045 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.077 1.704 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.985 2.994 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.737 3.411 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.316 1.299 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.728 2.993 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.109 2.303 -0.136 1.00 0.00 H new ATOM 258 N THR A 18 -0.840 6.676 -1.737 1.00 0.00 N ATOM 259 CA THR A 18 -1.353 8.038 -1.744 1.00 0.00 C ATOM 260 C THR A 18 -2.207 8.246 -2.983 1.00 0.00 C ATOM 261 O THR A 18 -3.184 8.995 -2.960 1.00 0.00 O ATOM 262 CB THR A 18 -0.216 9.073 -1.681 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.560 10.249 -2.393 1.00 0.00 O ATOM 264 CG2 THR A 18 1.101 8.574 -2.235 1.00 0.00 C ATOM 0 H THR A 18 0.174 6.601 -1.820 1.00 0.00 H new ATOM 0 HA THR A 18 -1.965 8.184 -0.854 1.00 0.00 H new ATOM 0 HB THR A 18 -0.086 9.275 -0.618 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.177 10.892 -2.337 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.851 9.361 -2.155 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.428 7.702 -1.668 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.974 8.299 -3.282 1.00 0.00 H new ATOM 272 N LYS A 19 -1.843 7.561 -4.063 1.00 0.00 N ATOM 273 CA LYS A 19 -2.592 7.656 -5.304 1.00 0.00 C ATOM 274 C LYS A 19 -3.908 6.872 -5.212 1.00 0.00 C ATOM 275 O LYS A 19 -4.807 7.052 -6.034 1.00 0.00 O ATOM 276 CB LYS A 19 -1.753 7.134 -6.473 1.00 0.00 C ATOM 277 CG LYS A 19 -0.639 8.079 -6.894 1.00 0.00 C ATOM 278 CD LYS A 19 0.371 7.383 -7.792 1.00 0.00 C ATOM 279 CE LYS A 19 0.064 7.618 -9.262 1.00 0.00 C ATOM 280 NZ LYS A 19 1.281 7.496 -10.111 1.00 0.00 N ATOM 0 H LYS A 19 -1.037 6.937 -4.101 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.828 8.706 -5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.318 6.174 -6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.407 6.954 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.065 8.935 -7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.135 8.466 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.373 7.748 -7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.367 6.313 -7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.685 6.899 -9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.368 8.611 -9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.028 7.663 -11.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.986 8.199 -9.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.680 6.541 -10.011 1.00 0.00 H new ATOM 351 N SER A 23 -3.155 6.112 2.412 1.00 0.00 N ATOM 352 CA SER A 23 -1.999 6.828 2.924 1.00 0.00 C ATOM 353 C SER A 23 -0.784 5.921 2.990 1.00 0.00 C ATOM 354 O SER A 23 -0.826 4.767 2.565 1.00 0.00 O ATOM 355 CB SER A 23 -2.274 7.405 4.309 1.00 0.00 C ATOM 356 OG SER A 23 -3.425 8.232 4.304 1.00 0.00 O ATOM 0 HA SER A 23 -1.797 7.648 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.411 6.593 5.023 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.411 7.981 4.643 1.00 0.00 H new ATOM 0 HG SER A 23 -4.008 7.976 3.559 1.00 0.00 H new ATOM 362 N VAL A 24 0.301 6.461 3.520 1.00 0.00 N ATOM 363 CA VAL A 24 1.542 5.721 3.642 1.00 0.00 C ATOM 364 C VAL A 24 2.096 5.792 5.066 1.00 0.00 C ATOM 365 O VAL A 24 3.150 5.226 5.356 1.00 0.00 O ATOM 366 CB VAL A 24 2.590 6.257 2.652 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.953 6.482 1.290 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.211 7.544 3.176 1.00 0.00 C ATOM 0 H VAL A 24 0.345 7.416 3.874 1.00 0.00 H new ATOM 0 HA VAL A 24 1.326 4.679 3.408 1.00 0.00 H new ATOM 0 HB VAL A 24 3.384 5.517 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.703 6.862 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.555 5.539 0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.144 7.207 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.950 7.908 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.433 8.296 3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.695 7.351 4.133 1.00 0.00 H new ATOM 378 N GLY A 25 1.384 6.486 5.950 1.00 0.00 N ATOM 379 CA GLY A 25 1.825 6.602 7.326 1.00 0.00 C ATOM 380 C GLY A 25 1.714 5.286 8.072 1.00 0.00 C ATOM 381 O GLY A 25 0.967 5.173 9.044 1.00 0.00 O ATOM 0 H GLY A 25 0.511 6.969 5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.860 6.944 7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.228 7.359 7.835 1.00 0.00 H new ATOM 385 N GLY A 26 2.460 4.289 7.608 1.00 0.00 N ATOM 386 CA GLY A 26 2.439 2.984 8.232 1.00 0.00 C ATOM 387 C GLY A 26 3.747 2.253 8.024 1.00 0.00 C ATOM 388 O GLY A 26 4.662 2.365 8.837 1.00 0.00 O ATOM 0 H GLY A 26 3.083 4.366 6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.246 3.092 9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.621 2.394 7.819 1.00 0.00 H new ATOM 392 N LEU A 27 3.834 1.508 6.925 1.00 0.00 N ATOM 393 CA LEU A 27 5.034 0.752 6.585 1.00 0.00 C ATOM 394 C LEU A 27 4.754 -0.187 5.420 1.00 0.00 C ATOM 395 O LEU A 27 3.601 -0.433 5.087 1.00 0.00 O ATOM 396 CB LEU A 27 5.518 -0.043 7.794 1.00 0.00 C ATOM 397 CG LEU A 27 6.961 0.234 8.220 1.00 0.00 C ATOM 398 CD1 LEU A 27 7.930 -0.355 7.210 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.207 1.729 8.385 1.00 0.00 C ATOM 0 H LEU A 27 3.077 1.412 6.248 1.00 0.00 H new ATOM 0 HA LEU A 27 5.815 1.453 6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.860 0.171 8.636 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.419 -1.106 7.573 1.00 0.00 H new ATOM 0 HG LEU A 27 7.127 -0.243 9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.953 -0.151 7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.778 -1.433 7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.755 0.095 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.241 1.896 8.688 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.020 2.235 7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.537 2.126 9.147 1.00 0.00 H new ATOM 411 N LYS A 28 5.809 -0.710 4.799 1.00 0.00 N ATOM 412 CA LYS A 28 5.652 -1.622 3.669 1.00 0.00 C ATOM 413 C LYS A 28 4.635 -2.714 3.992 1.00 0.00 C ATOM 414 O LYS A 28 3.618 -2.850 3.311 1.00 0.00 O ATOM 415 CB LYS A 28 6.996 -2.253 3.302 1.00 0.00 C ATOM 416 CG LYS A 28 7.122 -2.603 1.829 1.00 0.00 C ATOM 417 CD LYS A 28 8.460 -3.259 1.525 1.00 0.00 C ATOM 418 CE LYS A 28 8.512 -3.787 0.100 1.00 0.00 C ATOM 419 NZ LYS A 28 8.280 -5.257 0.044 1.00 0.00 N ATOM 0 H LYS A 28 6.777 -0.519 5.058 1.00 0.00 H new ATOM 0 HA LYS A 28 5.286 -1.047 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.797 -1.565 3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.138 -3.157 3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.313 -3.275 1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.014 -1.700 1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.263 -2.537 1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.632 -4.078 2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.761 -3.278 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.483 -3.556 -0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.307 -5.575 -0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.021 -5.746 0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.350 -5.478 0.454 1.00 0.00 H new ATOM 433 N ASN A 29 4.901 -3.474 5.050 1.00 0.00 N ATOM 434 CA ASN A 29 3.996 -4.537 5.473 1.00 0.00 C ATOM 435 C ASN A 29 2.593 -3.974 5.674 1.00 0.00 C ATOM 436 O ASN A 29 1.601 -4.545 5.215 1.00 0.00 O ATOM 437 CB ASN A 29 4.512 -5.181 6.766 1.00 0.00 C ATOM 438 CG ASN A 29 3.475 -6.048 7.454 1.00 0.00 C ATOM 439 OD1 ASN A 29 2.923 -6.972 6.854 1.00 0.00 O ATOM 440 ND2 ASN A 29 3.206 -5.752 8.719 1.00 0.00 N ATOM 0 H ASN A 29 5.735 -3.374 5.629 1.00 0.00 H new ATOM 0 HA ASN A 29 3.954 -5.303 4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.390 -5.786 6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.834 -4.397 7.452 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.517 -6.299 9.235 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.688 -4.978 9.175 1.00 0.00 H new ATOM 447 N GLU A 30 2.528 -2.832 6.345 1.00 0.00 N ATOM 448 CA GLU A 30 1.262 -2.163 6.595 1.00 0.00 C ATOM 449 C GLU A 30 0.663 -1.666 5.284 1.00 0.00 C ATOM 450 O GLU A 30 -0.555 -1.561 5.144 1.00 0.00 O ATOM 451 CB GLU A 30 1.467 -0.991 7.556 1.00 0.00 C ATOM 452 CG GLU A 30 1.224 -1.350 9.013 1.00 0.00 C ATOM 453 CD GLU A 30 -0.251 -1.453 9.350 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.726 -2.582 9.595 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.931 -0.405 9.368 1.00 0.00 O ATOM 0 H GLU A 30 3.342 -2.349 6.727 1.00 0.00 H new ATOM 0 HA GLU A 30 0.573 -2.875 7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.485 -0.617 7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.797 -0.179 7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.711 -2.299 9.235 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.687 -0.597 9.651 1.00 0.00 H new ATOM 462 N TRP A 31 1.536 -1.358 4.329 1.00 0.00 N ATOM 463 CA TRP A 31 1.115 -0.865 3.028 1.00 0.00 C ATOM 464 C TRP A 31 0.461 -1.976 2.221 1.00 0.00 C ATOM 465 O TRP A 31 -0.616 -1.791 1.657 1.00 0.00 O ATOM 466 CB TRP A 31 2.313 -0.269 2.286 1.00 0.00 C ATOM 467 CG TRP A 31 2.800 0.997 2.923 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.153 1.710 3.889 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.028 1.697 2.662 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.893 2.807 4.242 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.047 2.821 3.509 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.114 1.491 1.800 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.099 3.728 3.523 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.159 2.395 1.817 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.147 3.500 2.673 1.00 0.00 C ATOM 0 H TRP A 31 2.547 -1.443 4.437 1.00 0.00 H new ATOM 0 HA TRP A 31 0.373 -0.079 3.167 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.123 -0.998 2.263 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.035 -0.069 1.251 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.196 1.447 4.314 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.626 3.502 4.939 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.134 0.641 1.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.090 4.584 4.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.000 2.245 1.157 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.980 4.187 2.663 1.00 0.00 H new ATOM 486 N VAL A 32 1.096 -3.141 2.192 1.00 0.00 N ATOM 487 CA VAL A 32 0.537 -4.276 1.474 1.00 0.00 C ATOM 488 C VAL A 32 -0.788 -4.684 2.107 1.00 0.00 C ATOM 489 O VAL A 32 -1.722 -5.085 1.417 1.00 0.00 O ATOM 490 CB VAL A 32 1.499 -5.485 1.454 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.826 -5.947 2.866 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.910 -6.625 0.634 1.00 0.00 C ATOM 0 H VAL A 32 1.988 -3.323 2.652 1.00 0.00 H new ATOM 0 HA VAL A 32 0.379 -3.965 0.441 1.00 0.00 H new ATOM 0 HB VAL A 32 2.429 -5.169 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.505 -6.799 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.300 -5.133 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.908 -6.241 3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.602 -7.467 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.038 -6.936 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.744 -6.289 -0.390 1.00 0.00 H new ATOM 502 N GLN A 33 -0.862 -4.566 3.429 1.00 0.00 N ATOM 503 CA GLN A 33 -2.075 -4.913 4.160 1.00 0.00 C ATOM 504 C GLN A 33 -3.208 -3.941 3.831 1.00 0.00 C ATOM 505 O GLN A 33 -4.314 -4.360 3.488 1.00 0.00 O ATOM 506 CB GLN A 33 -1.805 -4.916 5.666 1.00 0.00 C ATOM 507 CG GLN A 33 -1.722 -6.310 6.266 1.00 0.00 C ATOM 508 CD GLN A 33 -0.329 -6.903 6.174 1.00 0.00 C ATOM 509 OE1 GLN A 33 -0.008 -7.483 5.025 1.00 0.00 O flip ATOM 510 NE2 GLN A 33 0.449 -6.838 7.127 1.00 0.00 N flip ATOM 0 H GLN A 33 -0.097 -4.233 4.015 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.381 -5.913 3.853 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.871 -4.390 5.860 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.595 -4.359 6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.028 -6.270 7.312 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.426 -6.965 5.753 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.159 -6.382 7.992 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.383 -7.240 7.051 1.00 0.00 H new ATOM 519 N ARG A 34 -2.932 -2.640 3.938 1.00 0.00 N ATOM 520 CA ARG A 34 -3.942 -1.626 3.650 1.00 0.00 C ATOM 521 C ARG A 34 -4.355 -1.667 2.180 1.00 0.00 C ATOM 522 O ARG A 34 -5.537 -1.554 1.858 1.00 0.00 O ATOM 523 CB ARG A 34 -3.445 -0.227 4.029 1.00 0.00 C ATOM 524 CG ARG A 34 -2.253 0.244 3.230 1.00 0.00 C ATOM 525 CD ARG A 34 -1.964 1.709 3.507 1.00 0.00 C ATOM 526 NE ARG A 34 -1.856 1.994 4.937 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.472 3.007 5.548 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.241 3.846 4.864 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.309 3.184 6.852 1.00 0.00 N ATOM 0 H ARG A 34 -2.025 -2.268 4.220 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.818 -1.851 4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.261 0.484 3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.184 -0.221 5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.380 -0.358 3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.443 0.101 2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.036 1.994 3.011 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.756 2.321 3.076 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.272 1.379 5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.366 3.720 3.860 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.707 4.617 5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.715 2.547 7.383 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.778 3.957 7.324 1.00 0.00 H new ATOM 543 N LEU A 35 -3.380 -1.843 1.288 1.00 0.00 N ATOM 544 CA LEU A 35 -3.667 -1.914 -0.140 1.00 0.00 C ATOM 545 C LEU A 35 -4.536 -3.129 -0.438 1.00 0.00 C ATOM 546 O LEU A 35 -5.586 -3.017 -1.070 1.00 0.00 O ATOM 547 CB LEU A 35 -2.372 -2.005 -0.950 1.00 0.00 C ATOM 548 CG LEU A 35 -1.475 -0.769 -0.913 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.134 -1.091 -1.545 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.129 0.398 -1.632 1.00 0.00 C ATOM 0 H LEU A 35 -2.393 -1.938 1.529 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.198 -1.006 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.798 -2.858 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.629 -2.213 -1.989 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.323 -0.481 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.503 -0.207 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.344 -1.900 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.284 -1.397 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.470 1.266 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.311 0.129 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.076 0.638 -1.149 1.00 0.00 H new ATOM 562 N ILE A 36 -4.095 -4.292 0.040 1.00 0.00 N ATOM 563 CA ILE A 36 -4.835 -5.532 -0.161 1.00 0.00 C ATOM 564 C ILE A 36 -6.271 -5.376 0.329 1.00 0.00 C ATOM 565 O ILE A 36 -7.209 -5.884 -0.286 1.00 0.00 O ATOM 566 CB ILE A 36 -4.162 -6.714 0.576 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.845 -7.097 -0.107 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.091 -7.919 0.634 1.00 0.00 C ATOM 569 CD1 ILE A 36 -2.004 -8.048 0.715 1.00 0.00 C ATOM 0 H ILE A 36 -3.229 -4.399 0.569 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.836 -5.748 -1.229 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.948 -6.394 1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.063 -7.555 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.270 -6.193 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.594 -8.736 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.004 -7.650 1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.341 -8.235 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.085 -8.280 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.757 -7.583 1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.563 -8.967 0.893 1.00 0.00 H new ATOM 581 N LYS A 37 -6.433 -4.653 1.432 1.00 0.00 N ATOM 582 CA LYS A 37 -7.750 -4.408 1.996 1.00 0.00 C ATOM 583 C LYS A 37 -8.513 -3.429 1.120 1.00 0.00 C ATOM 584 O LYS A 37 -9.738 -3.492 1.015 1.00 0.00 O ATOM 585 CB LYS A 37 -7.630 -3.859 3.420 1.00 0.00 C ATOM 586 CG LYS A 37 -8.967 -3.708 4.127 1.00 0.00 C ATOM 587 CD LYS A 37 -9.647 -5.053 4.333 1.00 0.00 C ATOM 588 CE LYS A 37 -9.771 -5.396 5.809 1.00 0.00 C ATOM 589 NZ LYS A 37 -8.451 -5.368 6.499 1.00 0.00 N ATOM 0 H LYS A 37 -5.666 -4.227 1.952 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.295 -5.351 2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.992 -4.523 4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.134 -2.889 3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.816 -3.224 5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.617 -3.057 3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.638 -5.034 3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.078 -5.831 3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.447 -4.689 6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.215 -6.386 5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.483 -5.985 7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.712 -5.704 5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.235 -4.395 6.795 1.00 0.00 H new ATOM 603 N ASP A 38 -7.773 -2.522 0.488 1.00 0.00 N ATOM 604 CA ASP A 38 -8.371 -1.527 -0.383 1.00 0.00 C ATOM 605 C ASP A 38 -8.974 -2.189 -1.617 1.00 0.00 C ATOM 606 O ASP A 38 -10.089 -1.868 -2.027 1.00 0.00 O ATOM 607 CB ASP A 38 -7.325 -0.496 -0.802 1.00 0.00 C ATOM 608 CG ASP A 38 -7.949 0.828 -1.198 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.243 1.010 -2.399 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.147 1.681 -0.309 1.00 0.00 O ATOM 0 H ASP A 38 -6.758 -2.459 0.566 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.167 -1.023 0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.627 -0.335 0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.747 -0.888 -1.639 1.00 0.00 H new ATOM 615 N ASP A 39 -8.226 -3.120 -2.199 1.00 0.00 N ATOM 616 CA ASP A 39 -8.680 -3.839 -3.383 1.00 0.00 C ATOM 617 C ASP A 39 -9.761 -4.846 -3.013 1.00 0.00 C ATOM 618 O ASP A 39 -10.661 -5.130 -3.804 1.00 0.00 O ATOM 619 CB ASP A 39 -7.506 -4.555 -4.052 1.00 0.00 C ATOM 620 CG ASP A 39 -6.770 -3.665 -5.035 1.00 0.00 C ATOM 621 OD1 ASP A 39 -7.245 -3.527 -6.181 1.00 0.00 O ATOM 622 OD2 ASP A 39 -5.719 -3.106 -4.657 1.00 0.00 O ATOM 0 H ASP A 39 -7.301 -3.395 -1.869 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.099 -3.117 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.810 -4.899 -3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.872 -5.440 -4.572 1.00 0.00 H new ATOM 627 N GLU A 40 -9.667 -5.379 -1.799 1.00 0.00 N ATOM 628 CA GLU A 40 -10.638 -6.350 -1.309 1.00 0.00 C ATOM 629 C GLU A 40 -11.895 -5.654 -0.807 1.00 0.00 C ATOM 630 O GLU A 40 -12.963 -6.261 -0.726 1.00 0.00 O ATOM 631 CB GLU A 40 -10.028 -7.206 -0.197 1.00 0.00 C ATOM 632 CG GLU A 40 -9.462 -8.529 -0.688 1.00 0.00 C ATOM 633 CD GLU A 40 -10.071 -9.724 0.018 1.00 0.00 C ATOM 634 OE1 GLU A 40 -9.457 -10.216 0.989 1.00 0.00 O ATOM 635 OE2 GLU A 40 -11.163 -10.167 -0.397 1.00 0.00 O ATOM 0 H GLU A 40 -8.926 -5.154 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.913 -7.000 -2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.235 -6.640 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.790 -7.404 0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.636 -8.618 -1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.382 -8.535 -0.539 1.00 0.00 H new