USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 415 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 61 SER OG : rot -28:sc= 0.191 USER MOD Set 1.2: A 64 THR OG1 : rot -38:sc= 1.08 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 109:sc= 1.14 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= 0.44 (180deg=0.202) USER MOD Single : A 31 THR OG1 : rot 72:sc= 0.873 USER MOD Single : A 34 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 91:sc= 0.173 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -161:sc= -0.0697 (180deg=-0.477) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0638 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 120:sc= 0.109 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 15 106.556 16.337 9.142 1.00 0.00 N ATOM 36 CA LEU A 15 105.097 16.312 9.157 1.00 0.00 C ATOM 37 C LEU A 15 104.562 15.340 8.111 1.00 0.00 C ATOM 38 O LEU A 15 103.634 14.576 8.376 1.00 0.00 O ATOM 39 CB LEU A 15 104.539 17.712 8.897 1.00 0.00 C ATOM 40 CG LEU A 15 105.155 18.822 9.753 1.00 0.00 C ATOM 41 CD1 LEU A 15 105.504 20.028 8.894 1.00 0.00 C ATOM 42 CD2 LEU A 15 104.203 19.220 10.873 1.00 0.00 C ATOM 0 HA LEU A 15 104.774 15.976 10.142 1.00 0.00 H new ATOM 0 HB2 LEU A 15 104.690 17.958 7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.463 17.696 9.069 1.00 0.00 H new ATOM 0 HG LEU A 15 106.074 18.443 10.200 1.00 0.00 H new ATOM 0 HD11 LEU A 15 105.941 20.806 9.520 1.00 0.00 H new ATOM 0 HD12 LEU A 15 106.221 19.734 8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 15 104.601 20.409 8.418 1.00 0.00 H new ATOM 0 HD21 LEU A 15 104.656 20.010 11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.268 19.580 10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.003 18.355 11.505 1.00 0.00 H new ATOM 54 N THR A 16 105.157 15.376 6.922 1.00 0.00 N ATOM 55 CA THR A 16 104.745 14.499 5.830 1.00 0.00 C ATOM 56 C THR A 16 104.773 13.034 6.257 1.00 0.00 C ATOM 57 O THR A 16 104.071 12.199 5.686 1.00 0.00 O ATOM 58 CB THR A 16 105.652 14.705 4.617 1.00 0.00 C ATOM 59 OG1 THR A 16 105.873 16.085 4.386 1.00 0.00 O ATOM 60 CG2 THR A 16 105.092 14.110 3.343 1.00 0.00 C ATOM 0 H THR A 16 105.927 16.004 6.690 1.00 0.00 H new ATOM 0 HA THR A 16 103.720 14.756 5.562 1.00 0.00 H new ATOM 0 HB THR A 16 106.582 14.191 4.860 1.00 0.00 H new ATOM 0 HG1 THR A 16 106.457 16.197 3.607 1.00 0.00 H new ATOM 0 HG21 THR A 16 105.785 14.292 2.521 1.00 0.00 H new ATOM 0 HG22 THR A 16 104.956 13.036 3.472 1.00 0.00 H new ATOM 0 HG23 THR A 16 104.132 14.573 3.117 1.00 0.00 H new ATOM 68 N GLN A 17 105.585 12.726 7.264 1.00 0.00 N ATOM 69 CA GLN A 17 105.693 11.361 7.762 1.00 0.00 C ATOM 70 C GLN A 17 104.361 10.893 8.338 1.00 0.00 C ATOM 71 O GLN A 17 103.877 9.813 8.006 1.00 0.00 O ATOM 72 CB GLN A 17 106.785 11.265 8.829 1.00 0.00 C ATOM 73 CG GLN A 17 108.150 11.729 8.349 1.00 0.00 C ATOM 74 CD GLN A 17 109.248 10.729 8.655 1.00 0.00 C ATOM 75 OE1 GLN A 17 109.591 10.503 9.815 1.00 0.00 O ATOM 76 NE2 GLN A 17 109.804 10.123 7.612 1.00 0.00 N ATOM 0 H GLN A 17 106.176 13.402 7.749 1.00 0.00 H new ATOM 0 HA GLN A 17 105.960 10.714 6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 17 106.491 11.862 9.692 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.860 10.232 9.167 1.00 0.00 H new ATOM 0 HG2 GLN A 17 108.113 11.904 7.274 1.00 0.00 H new ATOM 0 HG3 GLN A 17 108.391 12.683 8.819 1.00 0.00 H new ATOM 0 HE21 GLN A 17 109.488 10.341 6.667 1.00 0.00 H new ATOM 0 HE22 GLN A 17 110.547 9.439 7.756 1.00 0.00 H new ATOM 85 N VAL A 18 103.771 11.722 9.194 1.00 0.00 N ATOM 86 CA VAL A 18 102.490 11.403 9.818 1.00 0.00 C ATOM 87 C VAL A 18 101.449 11.040 8.767 1.00 0.00 C ATOM 88 O VAL A 18 100.588 10.190 8.993 1.00 0.00 O ATOM 89 CB VAL A 18 101.963 12.590 10.644 1.00 0.00 C ATOM 90 CG1 VAL A 18 100.714 12.195 11.416 1.00 0.00 C ATOM 91 CG2 VAL A 18 103.041 13.106 11.585 1.00 0.00 C ATOM 0 H VAL A 18 104.161 12.623 9.472 1.00 0.00 H new ATOM 0 HA VAL A 18 102.658 10.551 10.477 1.00 0.00 H new ATOM 0 HB VAL A 18 101.696 13.394 9.958 1.00 0.00 H new ATOM 0 HG11 VAL A 18 100.358 13.048 11.993 1.00 0.00 H new ATOM 0 HG12 VAL A 18 99.939 11.880 10.717 1.00 0.00 H new ATOM 0 HG13 VAL A 18 100.949 11.373 12.092 1.00 0.00 H new ATOM 0 HG21 VAL A 18 102.650 13.945 12.161 1.00 0.00 H new ATOM 0 HG22 VAL A 18 103.343 12.309 12.264 1.00 0.00 H new ATOM 0 HG23 VAL A 18 103.904 13.434 11.005 1.00 0.00 H new ATOM 101 N LYS A 19 101.543 11.692 7.617 1.00 0.00 N ATOM 102 CA LYS A 19 100.619 11.449 6.518 1.00 0.00 C ATOM 103 C LYS A 19 100.773 10.029 6.000 1.00 0.00 C ATOM 104 O LYS A 19 99.841 9.228 6.054 1.00 0.00 O ATOM 105 CB LYS A 19 100.887 12.432 5.384 1.00 0.00 C ATOM 106 CG LYS A 19 100.627 13.883 5.758 1.00 0.00 C ATOM 107 CD LYS A 19 101.031 14.830 4.639 1.00 0.00 C ATOM 108 CE LYS A 19 100.998 16.281 5.094 1.00 0.00 C ATOM 109 NZ LYS A 19 100.124 17.117 4.225 1.00 0.00 N ATOM 0 H LYS A 19 102.254 12.397 7.420 1.00 0.00 H new ATOM 0 HA LYS A 19 99.602 11.586 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 19 101.924 12.329 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 19 100.262 12.168 4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 19 99.569 14.017 5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 19 101.181 14.131 6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 19 102.034 14.579 4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 19 100.360 14.699 3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 19 100.641 16.331 6.123 1.00 0.00 H new ATOM 0 HE3 LYS A 19 102.010 16.686 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 100.129 18.098 4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.479 17.091 3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 99.153 16.746 4.250 1.00 0.00 H new ATOM 123 N GLU A 20 101.966 9.727 5.506 1.00 0.00 N ATOM 124 CA GLU A 20 102.260 8.400 4.982 1.00 0.00 C ATOM 125 C GLU A 20 102.058 7.345 6.065 1.00 0.00 C ATOM 126 O GLU A 20 101.860 6.167 5.771 1.00 0.00 O ATOM 127 CB GLU A 20 103.692 8.341 4.450 1.00 0.00 C ATOM 128 CG GLU A 20 103.948 9.291 3.292 1.00 0.00 C ATOM 129 CD GLU A 20 103.763 8.629 1.941 1.00 0.00 C ATOM 130 OE1 GLU A 20 102.664 8.091 1.689 1.00 0.00 O ATOM 131 OE2 GLU A 20 104.718 8.644 1.136 1.00 0.00 O ATOM 0 H GLU A 20 102.746 10.383 5.457 1.00 0.00 H new ATOM 0 HA GLU A 20 101.574 8.194 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 20 104.382 8.575 5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 20 103.910 7.322 4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 20 103.273 10.143 3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 20 104.963 9.681 3.365 1.00 0.00 H new ATOM 138 N SER A 21 102.107 7.782 7.320 1.00 0.00 N ATOM 139 CA SER A 21 101.928 6.887 8.449 1.00 0.00 C ATOM 140 C SER A 21 100.450 6.588 8.676 1.00 0.00 C ATOM 141 O SER A 21 100.035 5.428 8.686 1.00 0.00 O ATOM 142 CB SER A 21 102.530 7.525 9.694 1.00 0.00 C ATOM 143 OG SER A 21 103.395 6.626 10.365 1.00 0.00 O ATOM 0 H SER A 21 102.270 8.756 7.577 1.00 0.00 H new ATOM 0 HA SER A 21 102.434 5.945 8.237 1.00 0.00 H new ATOM 0 HB2 SER A 21 103.081 8.423 9.415 1.00 0.00 H new ATOM 0 HB3 SER A 21 101.732 7.837 10.368 1.00 0.00 H new ATOM 0 HG SER A 21 103.768 7.062 11.159 1.00 0.00 H new ATOM 149 N LEU A 22 99.662 7.642 8.857 1.00 0.00 N ATOM 150 CA LEU A 22 98.231 7.492 9.081 1.00 0.00 C ATOM 151 C LEU A 22 97.566 6.849 7.871 1.00 0.00 C ATOM 152 O LEU A 22 96.585 6.116 8.005 1.00 0.00 O ATOM 153 CB LEU A 22 97.592 8.854 9.371 1.00 0.00 C ATOM 154 CG LEU A 22 96.908 8.969 10.734 1.00 0.00 C ATOM 155 CD1 LEU A 22 95.707 8.040 10.807 1.00 0.00 C ATOM 156 CD2 LEU A 22 97.894 8.659 11.850 1.00 0.00 C ATOM 0 H LEU A 22 99.990 8.608 8.853 1.00 0.00 H new ATOM 0 HA LEU A 22 98.084 6.844 9.945 1.00 0.00 H new ATOM 0 HB2 LEU A 22 98.362 9.622 9.302 1.00 0.00 H new ATOM 0 HB3 LEU A 22 96.858 9.067 8.594 1.00 0.00 H new ATOM 0 HG LEU A 22 96.557 9.993 10.860 1.00 0.00 H new ATOM 0 HD11 LEU A 22 95.232 8.135 11.784 1.00 0.00 H new ATOM 0 HD12 LEU A 22 94.992 8.308 10.029 1.00 0.00 H new ATOM 0 HD13 LEU A 22 96.034 7.010 10.661 1.00 0.00 H new ATOM 0 HD21 LEU A 22 97.392 8.745 12.814 1.00 0.00 H new ATOM 0 HD22 LEU A 22 98.274 7.645 11.728 1.00 0.00 H new ATOM 0 HD23 LEU A 22 98.724 9.365 11.809 1.00 0.00 H new ATOM 168 N SER A 23 98.106 7.129 6.691 1.00 0.00 N ATOM 169 CA SER A 23 97.566 6.577 5.456 1.00 0.00 C ATOM 170 C SER A 23 97.855 5.087 5.356 1.00 0.00 C ATOM 171 O SER A 23 97.007 4.309 4.919 1.00 0.00 O ATOM 172 CB SER A 23 98.151 7.305 4.244 1.00 0.00 C ATOM 173 OG SER A 23 97.347 7.105 3.093 1.00 0.00 O ATOM 0 H SER A 23 98.917 7.735 6.564 1.00 0.00 H new ATOM 0 HA SER A 23 96.485 6.720 5.467 1.00 0.00 H new ATOM 0 HB2 SER A 23 98.227 8.371 4.458 1.00 0.00 H new ATOM 0 HB3 SER A 23 99.162 6.945 4.053 1.00 0.00 H new ATOM 0 HG SER A 23 97.741 7.581 2.332 1.00 0.00 H new ATOM 178 N SER A 24 99.052 4.696 5.769 1.00 0.00 N ATOM 179 CA SER A 24 99.448 3.296 5.730 1.00 0.00 C ATOM 180 C SER A 24 98.582 2.469 6.668 1.00 0.00 C ATOM 181 O SER A 24 98.284 1.307 6.394 1.00 0.00 O ATOM 182 CB SER A 24 100.915 3.141 6.114 1.00 0.00 C ATOM 183 OG SER A 24 101.762 3.766 5.166 1.00 0.00 O ATOM 0 H SER A 24 99.765 5.328 6.134 1.00 0.00 H new ATOM 0 HA SER A 24 99.310 2.936 4.711 1.00 0.00 H new ATOM 0 HB2 SER A 24 101.084 3.576 7.099 1.00 0.00 H new ATOM 0 HB3 SER A 24 101.165 2.082 6.186 1.00 0.00 H new ATOM 0 HG SER A 24 102.161 4.568 5.563 1.00 0.00 H new ATOM 189 N TYR A 25 98.167 3.082 7.772 1.00 0.00 N ATOM 190 CA TYR A 25 97.324 2.416 8.745 1.00 0.00 C ATOM 191 C TYR A 25 96.059 1.910 8.068 1.00 0.00 C ATOM 192 O TYR A 25 95.539 0.845 8.398 1.00 0.00 O ATOM 193 CB TYR A 25 96.980 3.408 9.848 1.00 0.00 C ATOM 194 CG TYR A 25 97.131 2.851 11.245 1.00 0.00 C ATOM 195 CD1 TYR A 25 96.092 2.158 11.854 1.00 0.00 C ATOM 196 CD2 TYR A 25 98.313 3.018 11.956 1.00 0.00 C ATOM 197 CE1 TYR A 25 96.226 1.648 13.131 1.00 0.00 C ATOM 198 CE2 TYR A 25 98.456 2.510 13.233 1.00 0.00 C ATOM 199 CZ TYR A 25 97.409 1.827 13.816 1.00 0.00 C ATOM 200 OH TYR A 25 97.546 1.320 15.088 1.00 0.00 O ATOM 0 H TYR A 25 98.405 4.044 8.011 1.00 0.00 H new ATOM 0 HA TYR A 25 97.846 1.562 9.175 1.00 0.00 H new ATOM 0 HB2 TYR A 25 97.620 4.285 9.746 1.00 0.00 H new ATOM 0 HB3 TYR A 25 95.953 3.745 9.712 1.00 0.00 H new ATOM 0 HD1 TYR A 25 95.164 2.016 11.320 1.00 0.00 H new ATOM 0 HD2 TYR A 25 99.134 3.554 11.503 1.00 0.00 H new ATOM 0 HE1 TYR A 25 95.408 1.112 13.590 1.00 0.00 H new ATOM 0 HE2 TYR A 25 99.382 2.647 13.771 1.00 0.00 H new ATOM 0 HH TYR A 25 98.440 1.532 15.430 1.00 0.00 H new ATOM 210 N TRP A 26 95.586 2.690 7.103 1.00 0.00 N ATOM 211 CA TRP A 26 94.388 2.351 6.343 1.00 0.00 C ATOM 212 C TRP A 26 94.756 1.747 4.990 1.00 0.00 C ATOM 213 O TRP A 26 93.928 1.102 4.345 1.00 0.00 O ATOM 214 CB TRP A 26 93.532 3.603 6.141 1.00 0.00 C ATOM 215 CG TRP A 26 92.407 3.715 7.125 1.00 0.00 C ATOM 216 CD1 TRP A 26 92.420 3.321 8.432 1.00 0.00 C ATOM 217 CD2 TRP A 26 91.102 4.249 6.879 1.00 0.00 C ATOM 218 NE1 TRP A 26 91.200 3.572 9.012 1.00 0.00 N ATOM 219 CE2 TRP A 26 90.376 4.144 8.080 1.00 0.00 C ATOM 220 CE3 TRP A 26 90.477 4.806 5.760 1.00 0.00 C ATOM 221 CZ2 TRP A 26 89.055 4.575 8.192 1.00 0.00 C ATOM 222 CZ3 TRP A 26 89.167 5.233 5.873 1.00 0.00 C ATOM 223 CH2 TRP A 26 88.469 5.117 7.081 1.00 0.00 C ATOM 0 H TRP A 26 96.019 3.571 6.826 1.00 0.00 H new ATOM 0 HA TRP A 26 93.819 1.610 6.905 1.00 0.00 H new ATOM 0 HB2 TRP A 26 94.166 4.486 6.222 1.00 0.00 H new ATOM 0 HB3 TRP A 26 93.123 3.596 5.131 1.00 0.00 H new ATOM 0 HD1 TRP A 26 93.266 2.877 8.936 1.00 0.00 H new ATOM 0 HE1 TRP A 26 90.949 3.366 9.979 1.00 0.00 H new ATOM 0 HE3 TRP A 26 91.008 4.901 4.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 88.514 4.484 9.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 88.673 5.664 5.014 1.00 0.00 H new ATOM 0 HH2 TRP A 26 87.447 5.462 7.137 1.00 0.00 H new ATOM 234 N GLU A 27 95.999 1.955 4.560 1.00 0.00 N ATOM 235 CA GLU A 27 96.459 1.427 3.279 1.00 0.00 C ATOM 236 C GLU A 27 96.584 -0.092 3.322 1.00 0.00 C ATOM 237 O GLU A 27 96.253 -0.778 2.355 1.00 0.00 O ATOM 238 CB GLU A 27 97.803 2.049 2.895 1.00 0.00 C ATOM 239 CG GLU A 27 97.977 2.247 1.398 1.00 0.00 C ATOM 240 CD GLU A 27 98.998 3.318 1.068 1.00 0.00 C ATOM 241 OE1 GLU A 27 100.204 3.071 1.274 1.00 0.00 O ATOM 242 OE2 GLU A 27 98.590 4.404 0.605 1.00 0.00 O ATOM 0 H GLU A 27 96.702 2.483 5.077 1.00 0.00 H new ATOM 0 HA GLU A 27 95.716 1.689 2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 27 97.904 3.013 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 27 98.607 1.413 3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 27 98.284 1.305 0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 27 97.017 2.516 0.957 1.00 0.00 H new ATOM 249 N SER A 28 97.056 -0.613 4.450 1.00 0.00 N ATOM 250 CA SER A 28 97.216 -2.052 4.608 1.00 0.00 C ATOM 251 C SER A 28 95.861 -2.743 4.562 1.00 0.00 C ATOM 252 O SER A 28 95.715 -3.807 3.959 1.00 0.00 O ATOM 253 CB SER A 28 97.936 -2.369 5.919 1.00 0.00 C ATOM 254 OG SER A 28 97.429 -3.549 6.521 1.00 0.00 O ATOM 0 H SER A 28 97.333 -0.063 5.263 1.00 0.00 H new ATOM 0 HA SER A 28 97.823 -2.427 3.784 1.00 0.00 H new ATOM 0 HB2 SER A 28 99.003 -2.486 5.730 1.00 0.00 H new ATOM 0 HB3 SER A 28 97.824 -1.532 6.608 1.00 0.00 H new ATOM 0 HG SER A 28 97.912 -3.724 7.356 1.00 0.00 H new ATOM 260 N ALA A 29 94.866 -2.123 5.185 1.00 0.00 N ATOM 261 CA ALA A 29 93.522 -2.673 5.188 1.00 0.00 C ATOM 262 C ALA A 29 92.992 -2.721 3.767 1.00 0.00 C ATOM 263 O ALA A 29 92.275 -3.645 3.383 1.00 0.00 O ATOM 264 CB ALA A 29 92.606 -1.848 6.078 1.00 0.00 C ATOM 0 H ALA A 29 94.967 -1.243 5.692 1.00 0.00 H new ATOM 0 HA ALA A 29 93.552 -3.686 5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 29 91.604 -2.277 6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 29 92.990 -1.851 7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 29 92.566 -0.823 5.709 1.00 0.00 H new ATOM 270 N LYS A 30 93.380 -1.722 2.980 1.00 0.00 N ATOM 271 CA LYS A 30 92.976 -1.645 1.585 1.00 0.00 C ATOM 272 C LYS A 30 93.839 -2.571 0.736 1.00 0.00 C ATOM 273 O LYS A 30 93.429 -3.009 -0.338 1.00 0.00 O ATOM 274 CB LYS A 30 93.091 -0.207 1.075 1.00 0.00 C ATOM 275 CG LYS A 30 91.801 0.588 1.200 1.00 0.00 C ATOM 276 CD LYS A 30 91.488 0.915 2.650 1.00 0.00 C ATOM 277 CE LYS A 30 90.092 1.501 2.800 1.00 0.00 C ATOM 278 NZ LYS A 30 90.123 2.980 2.966 1.00 0.00 N ATOM 0 H LYS A 30 93.976 -0.954 3.288 1.00 0.00 H new ATOM 0 HA LYS A 30 91.936 -1.961 1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 30 93.878 0.304 1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 30 93.397 -0.225 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 30 91.884 1.512 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 30 90.978 0.019 0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 30 91.571 0.012 3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 30 92.224 1.623 3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 30 89.496 1.247 1.923 1.00 0.00 H new ATOM 0 HE3 LYS A 30 89.600 1.050 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 89.225 3.386 2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 90.257 3.214 3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 90.909 3.375 2.411 1.00 0.00 H new ATOM 292 N THR A 31 95.038 -2.872 1.234 1.00 0.00 N ATOM 293 CA THR A 31 95.960 -3.751 0.532 1.00 0.00 C ATOM 294 C THR A 31 95.518 -5.204 0.673 1.00 0.00 C ATOM 295 O THR A 31 95.302 -5.897 -0.321 1.00 0.00 O ATOM 296 CB THR A 31 97.371 -3.573 1.094 1.00 0.00 C ATOM 297 OG1 THR A 31 97.918 -2.329 0.695 1.00 0.00 O ATOM 298 CG2 THR A 31 98.331 -4.657 0.663 1.00 0.00 C ATOM 0 H THR A 31 95.390 -2.517 2.123 1.00 0.00 H new ATOM 0 HA THR A 31 95.961 -3.491 -0.526 1.00 0.00 H new ATOM 0 HB THR A 31 97.256 -3.624 2.177 1.00 0.00 H new ATOM 0 HG1 THR A 31 97.474 -1.605 1.183 1.00 0.00 H new ATOM 0 HG21 THR A 31 99.312 -4.468 1.098 1.00 0.00 H new ATOM 0 HG22 THR A 31 97.964 -5.625 1.004 1.00 0.00 H new ATOM 0 HG23 THR A 31 98.411 -4.661 -0.424 1.00 0.00 H new ATOM 306 N ALA A 32 95.379 -5.654 1.916 1.00 0.00 N ATOM 307 CA ALA A 32 94.953 -7.020 2.187 1.00 0.00 C ATOM 308 C ALA A 32 93.571 -7.274 1.598 1.00 0.00 C ATOM 309 O ALA A 32 93.201 -8.415 1.321 1.00 0.00 O ATOM 310 CB ALA A 32 94.956 -7.287 3.686 1.00 0.00 C ATOM 0 H ALA A 32 95.555 -5.093 2.749 1.00 0.00 H new ATOM 0 HA ALA A 32 95.657 -7.705 1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 32 94.635 -8.312 3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 32 95.963 -7.144 4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 32 94.272 -6.597 4.180 1.00 0.00 H new ATOM 316 N ALA A 33 92.818 -6.197 1.401 1.00 0.00 N ATOM 317 CA ALA A 33 91.478 -6.292 0.836 1.00 0.00 C ATOM 318 C ALA A 33 91.527 -6.254 -0.687 1.00 0.00 C ATOM 319 O ALA A 33 90.614 -6.734 -1.359 1.00 0.00 O ATOM 320 CB ALA A 33 90.602 -5.168 1.366 1.00 0.00 C ATOM 0 H ALA A 33 93.114 -5.247 1.625 1.00 0.00 H new ATOM 0 HA ALA A 33 91.046 -7.246 1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 33 89.604 -5.251 0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 33 90.536 -5.239 2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 33 91.037 -4.207 1.091 1.00 0.00 H new ATOM 326 N GLN A 34 92.601 -5.682 -1.227 1.00 0.00 N ATOM 327 CA GLN A 34 92.769 -5.583 -2.673 1.00 0.00 C ATOM 328 C GLN A 34 93.364 -6.869 -3.236 1.00 0.00 C ATOM 329 O GLN A 34 93.005 -7.306 -4.328 1.00 0.00 O ATOM 330 CB GLN A 34 93.676 -4.399 -3.019 1.00 0.00 C ATOM 331 CG GLN A 34 92.922 -3.175 -3.511 1.00 0.00 C ATOM 332 CD GLN A 34 93.776 -2.283 -4.391 1.00 0.00 C ATOM 333 OE1 GLN A 34 94.855 -2.678 -4.834 1.00 0.00 O ATOM 334 NE2 GLN A 34 93.296 -1.073 -4.649 1.00 0.00 N ATOM 0 H GLN A 34 93.366 -5.281 -0.685 1.00 0.00 H new ATOM 0 HA GLN A 34 91.788 -5.427 -3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 34 94.256 -4.127 -2.137 1.00 0.00 H new ATOM 0 HB3 GLN A 34 94.387 -4.709 -3.785 1.00 0.00 H new ATOM 0 HG2 GLN A 34 92.041 -3.494 -4.068 1.00 0.00 H new ATOM 0 HG3 GLN A 34 92.567 -2.602 -2.654 1.00 0.00 H new ATOM 0 HE21 GLN A 34 92.397 -0.788 -4.261 1.00 0.00 H new ATOM 0 HE22 GLN A 34 93.826 -0.428 -5.236 1.00 0.00 H new ATOM 528 N ASP A 46 97.605 -8.262 -11.551 1.00 0.00 N ATOM 529 CA ASP A 46 97.762 -7.063 -10.740 1.00 0.00 C ATOM 530 C ASP A 46 99.222 -6.869 -10.345 1.00 0.00 C ATOM 531 O ASP A 46 99.726 -5.747 -10.323 1.00 0.00 O ATOM 532 CB ASP A 46 96.884 -7.149 -9.488 1.00 0.00 C ATOM 533 CG ASP A 46 95.801 -6.088 -9.465 1.00 0.00 C ATOM 534 OD1 ASP A 46 94.861 -6.180 -10.281 1.00 0.00 O ATOM 535 OD2 ASP A 46 95.894 -5.163 -8.630 1.00 0.00 O ATOM 0 HA ASP A 46 97.447 -6.204 -11.333 1.00 0.00 H new ATOM 0 HB2 ASP A 46 96.423 -8.135 -9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 46 97.510 -7.045 -8.601 1.00 0.00 H new ATOM 540 N GLU A 47 99.894 -7.973 -10.037 1.00 0.00 N ATOM 541 CA GLU A 47 101.298 -7.930 -9.645 1.00 0.00 C ATOM 542 C GLU A 47 102.164 -7.394 -10.776 1.00 0.00 C ATOM 543 O GLU A 47 102.992 -6.507 -10.569 1.00 0.00 O ATOM 544 CB GLU A 47 101.784 -9.320 -9.240 1.00 0.00 C ATOM 545 CG GLU A 47 100.784 -10.101 -8.405 1.00 0.00 C ATOM 546 CD GLU A 47 101.454 -11.080 -7.459 1.00 0.00 C ATOM 547 OE1 GLU A 47 102.222 -11.939 -7.939 1.00 0.00 O ATOM 548 OE2 GLU A 47 101.208 -10.987 -6.237 1.00 0.00 O ATOM 0 H GLU A 47 99.489 -8.909 -10.051 1.00 0.00 H new ATOM 0 HA GLU A 47 101.384 -7.258 -8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 47 102.015 -9.890 -10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 47 102.713 -9.220 -8.678 1.00 0.00 H new ATOM 0 HG2 GLU A 47 100.174 -9.405 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 47 100.109 -10.644 -9.067 1.00 0.00 H new ATOM 555 N LYS A 48 101.969 -7.935 -11.976 1.00 0.00 N ATOM 556 CA LYS A 48 102.735 -7.502 -13.140 1.00 0.00 C ATOM 557 C LYS A 48 102.693 -5.984 -13.264 1.00 0.00 C ATOM 558 O LYS A 48 103.658 -5.355 -13.695 1.00 0.00 O ATOM 559 CB LYS A 48 102.184 -8.147 -14.414 1.00 0.00 C ATOM 560 CG LYS A 48 102.918 -9.415 -14.820 1.00 0.00 C ATOM 561 CD LYS A 48 102.815 -10.486 -13.748 1.00 0.00 C ATOM 562 CE LYS A 48 102.994 -11.877 -14.333 1.00 0.00 C ATOM 563 NZ LYS A 48 104.411 -12.331 -14.269 1.00 0.00 N ATOM 0 H LYS A 48 101.289 -8.671 -12.167 1.00 0.00 H new ATOM 0 HA LYS A 48 103.770 -7.817 -13.008 1.00 0.00 H new ATOM 0 HB2 LYS A 48 101.129 -8.379 -14.267 1.00 0.00 H new ATOM 0 HB3 LYS A 48 102.241 -7.427 -15.230 1.00 0.00 H new ATOM 0 HG2 LYS A 48 102.503 -9.793 -15.754 1.00 0.00 H new ATOM 0 HG3 LYS A 48 103.967 -9.185 -15.007 1.00 0.00 H new ATOM 0 HD2 LYS A 48 103.572 -10.311 -12.983 1.00 0.00 H new ATOM 0 HD3 LYS A 48 101.844 -10.419 -13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 48 102.363 -12.582 -13.792 1.00 0.00 H new ATOM 0 HE3 LYS A 48 102.659 -11.880 -15.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 104.489 -13.284 -14.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 105.011 -11.673 -14.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 104.724 -12.353 -13.277 1.00 0.00 H new ATOM 577 N LEU A 49 101.563 -5.406 -12.870 1.00 0.00 N ATOM 578 CA LEU A 49 101.381 -3.960 -12.923 1.00 0.00 C ATOM 579 C LEU A 49 101.760 -3.313 -11.593 1.00 0.00 C ATOM 580 O LEU A 49 102.076 -2.124 -11.541 1.00 0.00 O ATOM 581 CB LEU A 49 99.928 -3.624 -13.270 1.00 0.00 C ATOM 582 CG LEU A 49 99.606 -3.597 -14.765 1.00 0.00 C ATOM 583 CD1 LEU A 49 98.103 -3.491 -14.989 1.00 0.00 C ATOM 584 CD2 LEU A 49 100.334 -2.445 -15.444 1.00 0.00 C ATOM 0 H LEU A 49 100.758 -5.918 -12.510 1.00 0.00 H new ATOM 0 HA LEU A 49 102.037 -3.563 -13.698 1.00 0.00 H new ATOM 0 HB2 LEU A 49 99.278 -4.354 -12.788 1.00 0.00 H new ATOM 0 HB3 LEU A 49 99.685 -2.650 -12.845 1.00 0.00 H new ATOM 0 HG LEU A 49 99.950 -4.531 -15.209 1.00 0.00 H new ATOM 0 HD11 LEU A 49 97.895 -3.473 -16.059 1.00 0.00 H new ATOM 0 HD12 LEU A 49 97.606 -4.350 -14.537 1.00 0.00 H new ATOM 0 HD13 LEU A 49 97.731 -2.574 -14.532 1.00 0.00 H new ATOM 0 HD21 LEU A 49 100.094 -2.440 -16.507 1.00 0.00 H new ATOM 0 HD22 LEU A 49 100.020 -1.502 -14.996 1.00 0.00 H new ATOM 0 HD23 LEU A 49 101.409 -2.568 -15.315 1.00 0.00 H new ATOM 596 N ARG A 50 101.724 -4.099 -10.516 1.00 0.00 N ATOM 597 CA ARG A 50 102.063 -3.588 -9.189 1.00 0.00 C ATOM 598 C ARG A 50 103.509 -3.907 -8.816 1.00 0.00 C ATOM 599 O ARG A 50 103.923 -3.687 -7.678 1.00 0.00 O ATOM 600 CB ARG A 50 101.115 -4.174 -8.139 1.00 0.00 C ATOM 601 CG ARG A 50 99.899 -3.304 -7.864 1.00 0.00 C ATOM 602 CD ARG A 50 100.236 -2.150 -6.934 1.00 0.00 C ATOM 603 NE ARG A 50 99.397 -2.152 -5.735 1.00 0.00 N ATOM 604 CZ ARG A 50 99.867 -2.240 -4.491 1.00 0.00 C ATOM 605 NH1 ARG A 50 101.172 -2.335 -4.262 1.00 0.00 N ATOM 606 NH2 ARG A 50 99.024 -2.232 -3.466 1.00 0.00 N ATOM 0 H ARG A 50 101.465 -5.085 -10.537 1.00 0.00 H new ATOM 0 HA ARG A 50 101.953 -2.504 -9.215 1.00 0.00 H new ATOM 0 HB2 ARG A 50 100.781 -5.157 -8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 50 101.663 -4.322 -7.209 1.00 0.00 H new ATOM 0 HG2 ARG A 50 99.511 -2.913 -8.804 1.00 0.00 H new ATOM 0 HG3 ARG A 50 99.109 -3.911 -7.421 1.00 0.00 H new ATOM 0 HD2 ARG A 50 101.285 -2.212 -6.643 1.00 0.00 H new ATOM 0 HD3 ARG A 50 100.108 -1.207 -7.465 1.00 0.00 H new ATOM 0 HE ARG A 50 98.387 -2.081 -5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 50 101.828 -2.341 -5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 50 101.518 -2.402 -3.305 1.00 0.00 H new ATOM 0 HH21 ARG A 50 98.020 -2.159 -3.632 1.00 0.00 H new ATOM 0 HH22 ARG A 50 99.380 -2.299 -2.512 1.00 0.00 H new ATOM 620 N ASP A 51 104.275 -4.421 -9.773 1.00 0.00 N ATOM 621 CA ASP A 51 105.672 -4.758 -9.528 1.00 0.00 C ATOM 622 C ASP A 51 106.553 -3.523 -9.661 1.00 0.00 C ATOM 623 O ASP A 51 107.378 -3.240 -8.794 1.00 0.00 O ATOM 624 CB ASP A 51 106.137 -5.845 -10.501 1.00 0.00 C ATOM 625 CG ASP A 51 106.142 -7.221 -9.869 1.00 0.00 C ATOM 626 OD1 ASP A 51 105.113 -7.608 -9.277 1.00 0.00 O ATOM 627 OD2 ASP A 51 107.178 -7.914 -9.964 1.00 0.00 O ATOM 0 H ASP A 51 103.953 -4.613 -10.722 1.00 0.00 H new ATOM 0 HA ASP A 51 105.759 -5.138 -8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.484 -5.851 -11.374 1.00 0.00 H new ATOM 0 HB3 ASP A 51 107.140 -5.607 -10.855 1.00 0.00 H new ATOM 632 N LEU A 52 106.369 -2.786 -10.752 1.00 0.00 N ATOM 633 CA LEU A 52 107.142 -1.572 -11.004 1.00 0.00 C ATOM 634 C LEU A 52 107.201 -0.700 -9.754 1.00 0.00 C ATOM 635 O LEU A 52 108.203 -0.038 -9.488 1.00 0.00 O ATOM 636 CB LEU A 52 106.529 -0.782 -12.162 1.00 0.00 C ATOM 637 CG LEU A 52 105.002 -0.867 -12.272 1.00 0.00 C ATOM 638 CD1 LEU A 52 104.400 0.513 -12.487 1.00 0.00 C ATOM 639 CD2 LEU A 52 104.600 -1.809 -13.399 1.00 0.00 C ATOM 0 H LEU A 52 105.689 -3.008 -11.479 1.00 0.00 H new ATOM 0 HA LEU A 52 108.157 -1.865 -11.272 1.00 0.00 H new ATOM 0 HB2 LEU A 52 106.812 0.265 -12.057 1.00 0.00 H new ATOM 0 HB3 LEU A 52 106.965 -1.138 -13.095 1.00 0.00 H new ATOM 0 HG LEU A 52 104.613 -1.265 -11.335 1.00 0.00 H new ATOM 0 HD11 LEU A 52 103.316 0.429 -12.562 1.00 0.00 H new ATOM 0 HD12 LEU A 52 104.657 1.157 -11.646 1.00 0.00 H new ATOM 0 HD13 LEU A 52 104.795 0.943 -13.407 1.00 0.00 H new ATOM 0 HD21 LEU A 52 103.513 -1.857 -13.463 1.00 0.00 H new ATOM 0 HD22 LEU A 52 105.003 -1.440 -14.342 1.00 0.00 H new ATOM 0 HD23 LEU A 52 104.996 -2.805 -13.200 1.00 0.00 H new ATOM 651 N TYR A 53 106.116 -0.718 -8.990 1.00 0.00 N ATOM 652 CA TYR A 53 106.022 0.064 -7.761 1.00 0.00 C ATOM 653 C TYR A 53 106.795 -0.599 -6.625 1.00 0.00 C ATOM 654 O TYR A 53 107.651 0.020 -5.996 1.00 0.00 O ATOM 655 CB TYR A 53 104.558 0.213 -7.353 1.00 0.00 C ATOM 656 CG TYR A 53 104.248 1.549 -6.719 1.00 0.00 C ATOM 657 CD1 TYR A 53 103.981 2.665 -7.502 1.00 0.00 C ATOM 658 CD2 TYR A 53 104.242 1.700 -5.338 1.00 0.00 C ATOM 659 CE1 TYR A 53 103.714 3.892 -6.926 1.00 0.00 C ATOM 660 CE2 TYR A 53 103.978 2.924 -4.754 1.00 0.00 C ATOM 661 CZ TYR A 53 103.714 4.017 -5.552 1.00 0.00 C ATOM 662 OH TYR A 53 103.452 5.239 -4.975 1.00 0.00 O ATOM 0 H TYR A 53 105.284 -1.269 -9.201 1.00 0.00 H new ATOM 0 HA TYR A 53 106.458 1.045 -7.952 1.00 0.00 H new ATOM 0 HB2 TYR A 53 103.928 0.081 -8.232 1.00 0.00 H new ATOM 0 HB3 TYR A 53 104.300 -0.582 -6.653 1.00 0.00 H new ATOM 0 HD1 TYR A 53 103.982 2.572 -8.578 1.00 0.00 H new ATOM 0 HD2 TYR A 53 104.447 0.846 -4.710 1.00 0.00 H new ATOM 0 HE1 TYR A 53 103.506 4.750 -7.549 1.00 0.00 H new ATOM 0 HE2 TYR A 53 103.978 3.024 -3.679 1.00 0.00 H new ATOM 0 HH TYR A 53 103.490 5.155 -3.999 1.00 0.00 H new ATOM 672 N SER A 54 106.472 -1.861 -6.366 1.00 0.00 N ATOM 673 CA SER A 54 107.115 -2.621 -5.293 1.00 0.00 C ATOM 674 C SER A 54 108.471 -3.188 -5.712 1.00 0.00 C ATOM 675 O SER A 54 108.966 -4.138 -5.105 1.00 0.00 O ATOM 676 CB SER A 54 106.200 -3.759 -4.835 1.00 0.00 C ATOM 677 OG SER A 54 106.401 -4.055 -3.465 1.00 0.00 O ATOM 0 H SER A 54 105.766 -2.384 -6.885 1.00 0.00 H new ATOM 0 HA SER A 54 107.289 -1.928 -4.470 1.00 0.00 H new ATOM 0 HB2 SER A 54 105.159 -3.482 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 54 106.393 -4.649 -5.435 1.00 0.00 H new ATOM 0 HG SER A 54 105.804 -4.784 -3.197 1.00 0.00 H new ATOM 683 N LYS A 55 109.075 -2.599 -6.737 1.00 0.00 N ATOM 684 CA LYS A 55 110.382 -3.046 -7.214 1.00 0.00 C ATOM 685 C LYS A 55 111.306 -1.854 -7.441 1.00 0.00 C ATOM 686 O LYS A 55 112.508 -1.933 -7.193 1.00 0.00 O ATOM 687 CB LYS A 55 110.238 -3.853 -8.507 1.00 0.00 C ATOM 688 CG LYS A 55 111.094 -5.108 -8.541 1.00 0.00 C ATOM 689 CD LYS A 55 112.538 -4.793 -8.897 1.00 0.00 C ATOM 690 CE LYS A 55 113.429 -6.014 -8.737 1.00 0.00 C ATOM 691 NZ LYS A 55 114.143 -6.015 -7.430 1.00 0.00 N ATOM 0 H LYS A 55 108.683 -1.812 -7.254 1.00 0.00 H new ATOM 0 HA LYS A 55 110.820 -3.688 -6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 55 109.193 -4.133 -8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 55 110.504 -3.219 -9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 55 111.058 -5.600 -7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 55 110.684 -5.809 -9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 55 112.591 -4.435 -9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 55 112.904 -3.988 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 55 112.825 -6.917 -8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 55 114.157 -6.041 -9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 114.740 -6.864 -7.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 114.740 -5.166 -7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 113.449 -6.016 -6.655 1.00 0.00 H new ATOM 705 N SER A 56 110.736 -0.747 -7.907 1.00 0.00 N ATOM 706 CA SER A 56 111.513 0.463 -8.163 1.00 0.00 C ATOM 707 C SER A 56 111.403 1.450 -7.001 1.00 0.00 C ATOM 708 O SER A 56 112.209 2.372 -6.883 1.00 0.00 O ATOM 709 CB SER A 56 111.044 1.131 -9.455 1.00 0.00 C ATOM 710 OG SER A 56 110.982 0.198 -10.520 1.00 0.00 O ATOM 0 H SER A 56 109.741 -0.662 -8.115 1.00 0.00 H new ATOM 0 HA SER A 56 112.558 0.171 -8.266 1.00 0.00 H new ATOM 0 HB2 SER A 56 110.062 1.577 -9.301 1.00 0.00 H new ATOM 0 HB3 SER A 56 111.725 1.941 -9.717 1.00 0.00 H new ATOM 0 HG SER A 56 110.086 -0.196 -10.558 1.00 0.00 H new ATOM 716 N THR A 57 110.399 1.257 -6.149 1.00 0.00 N ATOM 717 CA THR A 57 110.193 2.137 -5.004 1.00 0.00 C ATOM 718 C THR A 57 110.469 1.411 -3.691 1.00 0.00 C ATOM 719 O THR A 57 110.774 2.041 -2.679 1.00 0.00 O ATOM 720 CB THR A 57 108.764 2.685 -5.005 1.00 0.00 C ATOM 721 OG1 THR A 57 108.485 3.361 -6.217 1.00 0.00 O ATOM 722 CG2 THR A 57 108.494 3.648 -3.870 1.00 0.00 C ATOM 0 H THR A 57 109.718 0.502 -6.230 1.00 0.00 H new ATOM 0 HA THR A 57 110.896 2.966 -5.090 1.00 0.00 H new ATOM 0 HB THR A 57 108.121 1.814 -4.884 1.00 0.00 H new ATOM 0 HG1 THR A 57 107.566 3.702 -6.198 1.00 0.00 H new ATOM 0 HG21 THR A 57 107.464 3.999 -3.928 1.00 0.00 H new ATOM 0 HG22 THR A 57 108.651 3.141 -2.918 1.00 0.00 H new ATOM 0 HG23 THR A 57 109.172 4.498 -3.945 1.00 0.00 H new ATOM 730 N ALA A 58 110.359 0.085 -3.708 1.00 0.00 N ATOM 731 CA ALA A 58 110.595 -0.715 -2.510 1.00 0.00 C ATOM 732 C ALA A 58 111.923 -1.454 -2.592 1.00 0.00 C ATOM 733 O ALA A 58 112.679 -1.496 -1.621 1.00 0.00 O ATOM 734 CB ALA A 58 109.454 -1.696 -2.297 1.00 0.00 C ATOM 0 H ALA A 58 110.109 -0.456 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 58 110.641 -0.038 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 58 109.644 -2.286 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 58 108.520 -1.147 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 58 109.379 -2.360 -3.158 1.00 0.00 H new ATOM 740 N ALA A 59 112.209 -2.030 -3.753 1.00 0.00 N ATOM 741 CA ALA A 59 113.456 -2.755 -3.949 1.00 0.00 C ATOM 742 C ALA A 59 114.605 -1.798 -4.262 1.00 0.00 C ATOM 743 O ALA A 59 115.736 -2.227 -4.487 1.00 0.00 O ATOM 744 CB ALA A 59 113.305 -3.783 -5.059 1.00 0.00 C ATOM 0 H ALA A 59 111.597 -2.009 -4.569 1.00 0.00 H new ATOM 0 HA ALA A 59 113.692 -3.275 -3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 59 114.247 -4.316 -5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 59 112.521 -4.492 -4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 59 113.039 -3.279 -5.988 1.00 0.00 H new ATOM 750 N MET A 60 114.308 -0.499 -4.272 1.00 0.00 N ATOM 751 CA MET A 60 115.320 0.515 -4.554 1.00 0.00 C ATOM 752 C MET A 60 115.479 1.466 -3.373 1.00 0.00 C ATOM 753 O MET A 60 116.587 1.906 -3.066 1.00 0.00 O ATOM 754 CB MET A 60 114.945 1.301 -5.811 1.00 0.00 C ATOM 755 CG MET A 60 114.913 0.453 -7.073 1.00 0.00 C ATOM 756 SD MET A 60 116.530 -0.218 -7.500 1.00 0.00 S ATOM 757 CE MET A 60 117.420 1.279 -7.916 1.00 0.00 C ATOM 0 H MET A 60 113.377 -0.126 -4.088 1.00 0.00 H new ATOM 0 HA MET A 60 116.271 0.009 -4.720 1.00 0.00 H new ATOM 0 HB2 MET A 60 113.966 1.757 -5.665 1.00 0.00 H new ATOM 0 HB3 MET A 60 115.658 2.114 -5.947 1.00 0.00 H new ATOM 0 HG2 MET A 60 114.208 -0.367 -6.937 1.00 0.00 H new ATOM 0 HG3 MET A 60 114.544 1.056 -7.902 1.00 0.00 H new ATOM 0 HE1 MET A 60 118.298 1.027 -8.510 1.00 0.00 H new ATOM 0 HE2 MET A 60 116.771 1.940 -8.490 1.00 0.00 H new ATOM 0 HE3 MET A 60 117.733 1.782 -7.001 1.00 0.00 H new ATOM 767 N SER A 61 114.368 1.777 -2.712 1.00 0.00 N ATOM 768 CA SER A 61 114.391 2.674 -1.562 1.00 0.00 C ATOM 769 C SER A 61 114.765 1.923 -0.285 1.00 0.00 C ATOM 770 O SER A 61 115.091 2.535 0.731 1.00 0.00 O ATOM 771 CB SER A 61 113.030 3.348 -1.386 1.00 0.00 C ATOM 772 OG SER A 61 113.061 4.289 -0.327 1.00 0.00 O ATOM 0 H SER A 61 113.443 1.422 -2.952 1.00 0.00 H new ATOM 0 HA SER A 61 115.148 3.436 -1.748 1.00 0.00 H new ATOM 0 HB2 SER A 61 112.745 3.847 -2.312 1.00 0.00 H new ATOM 0 HB3 SER A 61 112.270 2.593 -1.184 1.00 0.00 H new ATOM 0 HG SER A 61 113.735 4.019 0.331 1.00 0.00 H new ATOM 778 N THR A 62 114.712 0.595 -0.340 1.00 0.00 N ATOM 779 CA THR A 62 115.047 -0.227 0.817 1.00 0.00 C ATOM 780 C THR A 62 116.531 -0.122 1.146 1.00 0.00 C ATOM 781 O THR A 62 116.918 -0.076 2.314 1.00 0.00 O ATOM 782 CB THR A 62 114.674 -1.686 0.558 1.00 0.00 C ATOM 783 OG1 THR A 62 114.988 -2.490 1.682 1.00 0.00 O ATOM 784 CG2 THR A 62 115.381 -2.280 -0.642 1.00 0.00 C ATOM 0 H THR A 62 114.441 0.068 -1.170 1.00 0.00 H new ATOM 0 HA THR A 62 114.476 0.141 1.670 1.00 0.00 H new ATOM 0 HB THR A 62 113.602 -1.680 0.362 1.00 0.00 H new ATOM 0 HG1 THR A 62 114.741 -3.420 1.498 1.00 0.00 H new ATOM 0 HG21 THR A 62 115.072 -3.317 -0.770 1.00 0.00 H new ATOM 0 HG22 THR A 62 115.122 -1.711 -1.535 1.00 0.00 H new ATOM 0 HG23 THR A 62 116.459 -2.239 -0.486 1.00 0.00 H new ATOM 792 N TYR A 63 117.362 -0.086 0.107 1.00 0.00 N ATOM 793 CA TYR A 63 118.801 0.008 0.273 1.00 0.00 C ATOM 794 C TYR A 63 119.227 1.429 0.617 1.00 0.00 C ATOM 795 O TYR A 63 120.211 1.635 1.327 1.00 0.00 O ATOM 796 CB TYR A 63 119.472 -0.425 -1.015 1.00 0.00 C ATOM 797 CG TYR A 63 120.449 -1.564 -0.841 1.00 0.00 C ATOM 798 CD1 TYR A 63 120.026 -2.801 -0.372 1.00 0.00 C ATOM 799 CD2 TYR A 63 121.797 -1.401 -1.139 1.00 0.00 C ATOM 800 CE1 TYR A 63 120.916 -3.844 -0.205 1.00 0.00 C ATOM 801 CE2 TYR A 63 122.693 -2.440 -0.975 1.00 0.00 C ATOM 802 CZ TYR A 63 122.249 -3.658 -0.509 1.00 0.00 C ATOM 803 OH TYR A 63 123.139 -4.695 -0.345 1.00 0.00 O ATOM 0 H TYR A 63 117.055 -0.121 -0.865 1.00 0.00 H new ATOM 0 HA TYR A 63 119.101 -0.641 1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 63 118.706 -0.722 -1.731 1.00 0.00 H new ATOM 0 HB3 TYR A 63 119.996 0.428 -1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 63 118.983 -2.950 -0.134 1.00 0.00 H new ATOM 0 HD2 TYR A 63 122.149 -0.448 -1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 63 120.571 -4.799 0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 63 123.737 -2.298 -1.211 1.00 0.00 H new ATOM 0 HH TYR A 63 124.037 -4.400 -0.605 1.00 0.00 H new ATOM 813 N THR A 64 118.483 2.408 0.111 1.00 0.00 N ATOM 814 CA THR A 64 118.793 3.810 0.378 1.00 0.00 C ATOM 815 C THR A 64 118.893 4.042 1.876 1.00 0.00 C ATOM 816 O THR A 64 119.575 4.958 2.336 1.00 0.00 O ATOM 817 CB THR A 64 117.730 4.727 -0.229 1.00 0.00 C ATOM 818 OG1 THR A 64 116.470 4.506 0.376 1.00 0.00 O ATOM 819 CG2 THR A 64 117.563 4.544 -1.721 1.00 0.00 C ATOM 0 H THR A 64 117.667 2.259 -0.482 1.00 0.00 H new ATOM 0 HA THR A 64 119.751 4.046 -0.085 1.00 0.00 H new ATOM 0 HB THR A 64 118.084 5.741 -0.042 1.00 0.00 H new ATOM 0 HG1 THR A 64 116.356 3.549 0.553 1.00 0.00 H new ATOM 0 HG21 THR A 64 116.794 5.224 -2.087 1.00 0.00 H new ATOM 0 HG22 THR A 64 118.507 4.760 -2.222 1.00 0.00 H new ATOM 0 HG23 THR A 64 117.268 3.516 -1.931 1.00 0.00 H new ATOM 827 N GLY A 65 118.222 3.183 2.626 1.00 0.00 N ATOM 828 CA GLY A 65 118.250 3.272 4.070 1.00 0.00 C ATOM 829 C GLY A 65 119.523 2.682 4.640 1.00 0.00 C ATOM 830 O GLY A 65 119.936 3.030 5.746 1.00 0.00 O ATOM 0 H GLY A 65 117.654 2.420 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 65 118.165 4.316 4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 65 117.388 2.749 4.484 1.00 0.00 H new ATOM 834 N ILE A 66 120.151 1.788 3.876 1.00 0.00 N ATOM 835 CA ILE A 66 121.389 1.155 4.305 1.00 0.00 C ATOM 836 C ILE A 66 122.589 1.771 3.592 1.00 0.00 C ATOM 837 O ILE A 66 123.735 1.565 3.992 1.00 0.00 O ATOM 838 CB ILE A 66 121.363 -0.365 4.049 1.00 0.00 C ATOM 839 CG1 ILE A 66 120.186 -1.006 4.787 1.00 0.00 C ATOM 840 CG2 ILE A 66 122.674 -1.006 4.481 1.00 0.00 C ATOM 841 CD1 ILE A 66 118.863 -0.853 4.067 1.00 0.00 C ATOM 0 H ILE A 66 119.820 1.489 2.959 1.00 0.00 H new ATOM 0 HA ILE A 66 121.483 1.325 5.378 1.00 0.00 H new ATOM 0 HB ILE A 66 121.238 -0.532 2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 66 120.392 -2.067 4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 66 120.104 -0.561 5.779 1.00 0.00 H new ATOM 0 HG21 ILE A 66 122.634 -2.079 4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 66 123.497 -0.568 3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 66 122.831 -0.831 5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 66 118.075 -1.331 4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 66 118.634 0.206 3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 66 118.926 -1.323 3.086 1.00 0.00 H new ATOM 853 N PHE A 67 122.314 2.528 2.538 1.00 0.00 N ATOM 854 CA PHE A 67 123.356 3.180 1.769 1.00 0.00 C ATOM 855 C PHE A 67 123.968 4.328 2.558 1.00 0.00 C ATOM 856 O PHE A 67 125.188 4.440 2.675 1.00 0.00 O ATOM 857 CB PHE A 67 122.761 3.687 0.463 1.00 0.00 C ATOM 858 CG PHE A 67 123.579 3.337 -0.749 1.00 0.00 C ATOM 859 CD1 PHE A 67 124.609 4.162 -1.169 1.00 0.00 C ATOM 860 CD2 PHE A 67 123.315 2.182 -1.466 1.00 0.00 C ATOM 861 CE1 PHE A 67 125.361 3.842 -2.282 1.00 0.00 C ATOM 862 CE2 PHE A 67 124.065 1.855 -2.581 1.00 0.00 C ATOM 863 CZ PHE A 67 125.089 2.686 -2.989 1.00 0.00 C ATOM 0 H PHE A 67 121.369 2.704 2.197 1.00 0.00 H new ATOM 0 HA PHE A 67 124.150 2.464 1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 67 121.759 3.274 0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 67 122.655 4.770 0.519 1.00 0.00 H new ATOM 0 HD1 PHE A 67 124.827 5.066 -0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 67 122.514 1.529 -1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 67 126.161 4.494 -2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 67 123.850 0.951 -3.132 1.00 0.00 H new ATOM 0 HZ PHE A 67 125.677 2.433 -3.859 1.00 0.00 H new ATOM 873 N THR A 68 123.105 5.173 3.104 1.00 0.00 N ATOM 874 CA THR A 68 123.543 6.318 3.894 1.00 0.00 C ATOM 875 C THR A 68 123.953 5.885 5.299 1.00 0.00 C ATOM 876 O THR A 68 124.734 6.562 5.966 1.00 0.00 O ATOM 877 CB THR A 68 122.427 7.363 3.976 1.00 0.00 C ATOM 878 OG1 THR A 68 121.390 7.064 3.057 1.00 0.00 O ATOM 879 CG2 THR A 68 122.905 8.767 3.688 1.00 0.00 C ATOM 0 H THR A 68 122.093 5.088 3.014 1.00 0.00 H new ATOM 0 HA THR A 68 124.410 6.758 3.401 1.00 0.00 H new ATOM 0 HB THR A 68 122.066 7.322 5.004 1.00 0.00 H new ATOM 0 HG1 THR A 68 120.686 7.742 3.126 1.00 0.00 H new ATOM 0 HG21 THR A 68 122.066 9.459 3.762 1.00 0.00 H new ATOM 0 HG22 THR A 68 123.671 9.046 4.411 1.00 0.00 H new ATOM 0 HG23 THR A 68 123.323 8.810 2.682 1.00 0.00 H new ATOM 887 N ASP A 69 123.412 4.754 5.745 1.00 0.00 N ATOM 888 CA ASP A 69 123.713 4.231 7.072 1.00 0.00 C ATOM 889 C ASP A 69 125.210 3.989 7.246 1.00 0.00 C ATOM 890 O ASP A 69 125.731 4.050 8.360 1.00 0.00 O ATOM 891 CB ASP A 69 122.940 2.934 7.318 1.00 0.00 C ATOM 892 CG ASP A 69 122.905 2.550 8.785 1.00 0.00 C ATOM 893 OD1 ASP A 69 122.937 3.463 9.638 1.00 0.00 O ATOM 894 OD2 ASP A 69 122.846 1.339 9.081 1.00 0.00 O ATOM 0 H ASP A 69 122.762 4.183 5.205 1.00 0.00 H new ATOM 0 HA ASP A 69 123.403 4.977 7.804 1.00 0.00 H new ATOM 0 HB2 ASP A 69 121.920 3.047 6.951 1.00 0.00 H new ATOM 0 HB3 ASP A 69 123.398 2.127 6.745 1.00 0.00 H new ATOM 899 N GLN A 70 125.895 3.715 6.143 1.00 0.00 N ATOM 900 CA GLN A 70 127.333 3.465 6.186 1.00 0.00 C ATOM 901 C GLN A 70 128.132 4.741 5.918 1.00 0.00 C ATOM 902 O GLN A 70 129.363 4.717 5.900 1.00 0.00 O ATOM 903 CB GLN A 70 127.721 2.382 5.176 1.00 0.00 C ATOM 904 CG GLN A 70 127.369 2.728 3.738 1.00 0.00 C ATOM 905 CD GLN A 70 127.916 1.718 2.748 1.00 0.00 C ATOM 906 OE1 GLN A 70 128.686 2.066 1.851 1.00 0.00 O ATOM 907 NE2 GLN A 70 127.522 0.460 2.906 1.00 0.00 N ATOM 0 H GLN A 70 125.482 3.660 5.212 1.00 0.00 H new ATOM 0 HA GLN A 70 127.576 3.118 7.191 1.00 0.00 H new ATOM 0 HB2 GLN A 70 128.794 2.203 5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 70 127.224 1.451 5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 70 126.285 2.782 3.635 1.00 0.00 H new ATOM 0 HG3 GLN A 70 127.762 3.716 3.499 1.00 0.00 H new ATOM 0 HE21 GLN A 70 126.883 0.217 3.663 1.00 0.00 H new ATOM 0 HE22 GLN A 70 127.858 -0.263 2.270 1.00 0.00 H new ATOM 916 N VAL A 71 127.428 5.850 5.720 1.00 0.00 N ATOM 917 CA VAL A 71 128.071 7.133 5.461 1.00 0.00 C ATOM 918 C VAL A 71 128.151 7.960 6.738 1.00 0.00 C ATOM 919 O VAL A 71 129.228 8.140 7.301 1.00 0.00 O ATOM 920 CB VAL A 71 127.307 7.924 4.381 1.00 0.00 C ATOM 921 CG1 VAL A 71 127.945 9.287 4.145 1.00 0.00 C ATOM 922 CG2 VAL A 71 127.243 7.126 3.087 1.00 0.00 C ATOM 0 H VAL A 71 126.409 5.886 5.734 1.00 0.00 H new ATOM 0 HA VAL A 71 129.080 6.932 5.101 1.00 0.00 H new ATOM 0 HB VAL A 71 126.290 8.091 4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 71 127.385 9.823 3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 71 127.931 9.861 5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 71 128.976 9.154 3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 71 126.701 7.697 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 71 128.254 6.926 2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 71 126.728 6.182 3.267 1.00 0.00 H new ATOM 932 N LEU A 72 127.005 8.444 7.202 1.00 0.00 N ATOM 933 CA LEU A 72 126.952 9.237 8.421 1.00 0.00 C ATOM 934 C LEU A 72 127.668 8.510 9.557 1.00 0.00 C ATOM 935 O LEU A 72 128.211 9.133 10.468 1.00 0.00 O ATOM 936 CB LEU A 72 125.495 9.513 8.798 1.00 0.00 C ATOM 937 CG LEU A 72 124.536 8.334 8.592 1.00 0.00 C ATOM 938 CD1 LEU A 72 123.780 8.021 9.877 1.00 0.00 C ATOM 939 CD2 LEU A 72 123.565 8.626 7.457 1.00 0.00 C ATOM 0 H LEU A 72 126.101 8.301 6.752 1.00 0.00 H new ATOM 0 HA LEU A 72 127.457 10.187 8.248 1.00 0.00 H new ATOM 0 HB2 LEU A 72 125.457 9.813 9.845 1.00 0.00 H new ATOM 0 HB3 LEU A 72 125.138 10.359 8.211 1.00 0.00 H new ATOM 0 HG LEU A 72 125.126 7.458 8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 72 123.106 7.182 9.707 1.00 0.00 H new ATOM 0 HD12 LEU A 72 124.490 7.763 10.663 1.00 0.00 H new ATOM 0 HD13 LEU A 72 123.203 8.894 10.181 1.00 0.00 H new ATOM 0 HD21 LEU A 72 122.893 7.778 7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 72 122.984 9.517 7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 72 124.122 8.793 6.535 1.00 0.00 H new ATOM 951 N SER A 73 127.676 7.181 9.476 1.00 0.00 N ATOM 952 CA SER A 73 128.334 6.346 10.475 1.00 0.00 C ATOM 953 C SER A 73 129.847 6.470 10.373 1.00 0.00 C ATOM 954 O SER A 73 130.566 6.313 11.361 1.00 0.00 O ATOM 955 CB SER A 73 127.933 4.890 10.279 1.00 0.00 C ATOM 956 OG SER A 73 126.791 4.564 11.052 1.00 0.00 O ATOM 0 H SER A 73 127.230 6.658 8.722 1.00 0.00 H new ATOM 0 HA SER A 73 128.020 6.685 11.462 1.00 0.00 H new ATOM 0 HB2 SER A 73 127.726 4.706 9.225 1.00 0.00 H new ATOM 0 HB3 SER A 73 128.762 4.241 10.559 1.00 0.00 H new ATOM 0 HG SER A 73 126.066 4.275 10.459 1.00 0.00 H new ATOM 962 N VAL A 74 130.320 6.746 9.166 1.00 0.00 N ATOM 963 CA VAL A 74 131.745 6.888 8.910 1.00 0.00 C ATOM 964 C VAL A 74 132.138 8.354 8.807 1.00 0.00 C ATOM 965 O VAL A 74 133.309 8.704 8.962 1.00 0.00 O ATOM 966 CB VAL A 74 132.149 6.174 7.608 1.00 0.00 C ATOM 967 CG1 VAL A 74 133.660 6.185 7.434 1.00 0.00 C ATOM 968 CG2 VAL A 74 131.611 4.750 7.591 1.00 0.00 C ATOM 0 H VAL A 74 129.732 6.877 8.343 1.00 0.00 H new ATOM 0 HA VAL A 74 132.267 6.430 9.750 1.00 0.00 H new ATOM 0 HB VAL A 74 131.710 6.714 6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 74 133.923 5.675 6.507 1.00 0.00 H new ATOM 0 HG12 VAL A 74 134.014 7.215 7.395 1.00 0.00 H new ATOM 0 HG13 VAL A 74 134.127 5.673 8.275 1.00 0.00 H new ATOM 0 HG21 VAL A 74 131.906 4.261 6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 74 132.017 4.197 8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 74 130.523 4.771 7.660 1.00 0.00 H new ATOM 978 N LEU A 75 131.157 9.210 8.540 1.00 0.00 N ATOM 979 CA LEU A 75 131.416 10.635 8.419 1.00 0.00 C ATOM 980 C LEU A 75 131.804 11.224 9.766 1.00 0.00 C ATOM 981 O LEU A 75 132.774 11.975 9.872 1.00 0.00 O ATOM 982 CB LEU A 75 130.187 11.359 7.870 1.00 0.00 C ATOM 983 CG LEU A 75 129.856 11.047 6.412 1.00 0.00 C ATOM 984 CD1 LEU A 75 128.482 11.591 6.048 1.00 0.00 C ATOM 985 CD2 LEU A 75 130.922 11.622 5.493 1.00 0.00 C ATOM 0 H LEU A 75 130.182 8.941 8.405 1.00 0.00 H new ATOM 0 HA LEU A 75 132.245 10.771 7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 75 129.326 11.101 8.486 1.00 0.00 H new ATOM 0 HB3 LEU A 75 130.341 12.433 7.971 1.00 0.00 H new ATOM 0 HG LEU A 75 129.839 9.965 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 75 128.263 11.359 5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 75 127.728 11.132 6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 75 128.469 12.672 6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 75 130.672 11.392 4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 75 130.970 12.703 5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 75 131.889 11.184 5.739 1.00 0.00 H new ATOM 997 N LYS A 76 131.027 10.894 10.792 1.00 0.00 N ATOM 998 CA LYS A 76 131.277 11.406 12.125 1.00 0.00 C ATOM 999 C LYS A 76 131.174 10.301 13.169 1.00 0.00 C ATOM 1000 O LYS A 76 132.163 9.912 13.790 1.00 0.00 O ATOM 1001 CB LYS A 76 130.251 12.487 12.416 1.00 0.00 C ATOM 1002 CG LYS A 76 130.824 13.896 12.416 1.00 0.00 C ATOM 1003 CD LYS A 76 131.248 14.329 13.812 1.00 0.00 C ATOM 1004 CE LYS A 76 130.423 15.506 14.310 1.00 0.00 C ATOM 1005 NZ LYS A 76 129.030 15.107 14.654 1.00 0.00 N ATOM 0 H LYS A 76 130.220 10.274 10.721 1.00 0.00 H new ATOM 0 HA LYS A 76 132.288 11.811 12.172 1.00 0.00 H new ATOM 0 HB2 LYS A 76 129.456 12.429 11.673 1.00 0.00 H new ATOM 0 HB3 LYS A 76 129.796 12.290 13.387 1.00 0.00 H new ATOM 0 HG2 LYS A 76 131.682 13.941 11.745 1.00 0.00 H new ATOM 0 HG3 LYS A 76 130.080 14.592 12.029 1.00 0.00 H new ATOM 0 HD2 LYS A 76 131.140 13.491 14.501 1.00 0.00 H new ATOM 0 HD3 LYS A 76 132.303 14.602 13.804 1.00 0.00 H new ATOM 0 HE2 LYS A 76 130.903 15.939 15.188 1.00 0.00 H new ATOM 0 HE3 LYS A 76 130.399 16.281 13.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 128.503 15.939 14.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 128.562 14.717 13.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 129.050 14.386 15.403 1.00 0.00 H new ATOM 1019 N GLY A 77 129.960 9.811 13.353 1.00 0.00 N ATOM 1020 CA GLY A 77 129.702 8.761 14.317 1.00 0.00 C ATOM 1021 C GLY A 77 128.243 8.372 14.313 1.00 0.00 C ATOM 1022 O GLY A 77 127.596 8.331 15.360 1.00 0.00 O ATOM 0 H GLY A 77 129.135 10.127 12.843 1.00 0.00 H new ATOM 0 HA2 GLY A 77 130.315 7.890 14.085 1.00 0.00 H new ATOM 0 HA3 GLY A 77 129.990 9.097 15.313 1.00 0.00 H new ATOM 1026 N GLU A 78 127.729 8.098 13.118 1.00 0.00 N ATOM 1027 CA GLU A 78 126.340 7.720 12.931 1.00 0.00 C ATOM 1028 C GLU A 78 125.450 8.955 12.953 1.00 0.00 C ATOM 1029 O GLU A 78 124.523 9.059 13.757 1.00 0.00 O ATOM 1030 CB GLU A 78 125.927 6.725 14.003 1.00 0.00 C ATOM 1031 CG GLU A 78 124.838 5.760 13.562 1.00 0.00 C ATOM 1032 CD GLU A 78 124.726 4.554 14.476 1.00 0.00 C ATOM 1033 OE1 GLU A 78 124.016 4.648 15.499 1.00 0.00 O ATOM 1034 OE2 GLU A 78 125.350 3.517 14.170 1.00 0.00 O ATOM 0 H GLU A 78 128.268 8.133 12.253 1.00 0.00 H new ATOM 0 HA GLU A 78 126.225 7.242 11.958 1.00 0.00 H new ATOM 0 HB2 GLU A 78 126.803 6.153 14.311 1.00 0.00 H new ATOM 0 HB3 GLU A 78 125.580 7.273 14.879 1.00 0.00 H new ATOM 0 HG2 GLU A 78 123.882 6.283 13.537 1.00 0.00 H new ATOM 0 HG3 GLU A 78 125.044 5.424 12.546 1.00 0.00 H new ATOM 1041 N GLU A 79 125.750 9.894 12.058 1.00 0.00 N ATOM 1042 CA GLU A 79 124.989 11.136 11.967 1.00 0.00 C ATOM 1043 C GLU A 79 125.508 12.009 10.828 1.00 0.00 C ATOM 1044 O GLU A 79 126.738 12.214 10.756 1.00 0.00 O ATOM 1045 CB GLU A 79 125.066 11.906 13.286 1.00 0.00 C ATOM 1046 CG GLU A 79 123.882 12.831 13.519 1.00 0.00 C ATOM 1047 CD GLU A 79 124.173 13.906 14.546 1.00 0.00 C ATOM 1048 OE1 GLU A 79 125.243 14.543 14.453 1.00 0.00 O ATOM 1049 OE2 GLU A 79 123.330 14.111 15.446 1.00 0.00 O ATOM 0 H GLU A 79 126.514 9.818 11.387 1.00 0.00 H new ATOM 0 HA GLU A 79 123.949 10.880 11.763 1.00 0.00 H new ATOM 0 HB2 GLU A 79 125.129 11.195 14.110 1.00 0.00 H new ATOM 0 HB3 GLU A 79 125.984 12.493 13.302 1.00 0.00 H new ATOM 0 HG2 GLU A 79 123.603 13.301 12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 79 123.026 12.242 13.848 1.00 0.00 H new