USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 662 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 45 ASN : amide:sc= 0.025 X(o=0.19,f=0.04) USER MOD Set 1.2: A 51 LYS NZ :NH3+ 169:sc= 0.161 (180deg=0.0545) USER MOD Set 2.1: A 50 MET CE :methyl 153:sc= -0.0149 (180deg=-1.03) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= 0.0866 (180deg=0.0571) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.108 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.31 K(o=1.3,f=-4.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 4.2e-05 X(o=4.2e-05,f=-0.031) USER MOD Single : A 31 ASN : amide:sc= 0.383 K(o=0.38,f=-0.87) USER MOD Single : A 37 THR OG1 : rot -76:sc= 0.0132 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 135:sc= 1.3 USER MOD Single : A 53 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.3) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.249 USER MOD Single : A 63 GLN : amide:sc= -1.02 K(o=-1,f=-1.7) USER MOD Single : A 67 THR OG1 : rot -40:sc= 0.743 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 95 TYR OH : rot 145:sc= 0.417 USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.750 -1.816 -4.756 1.00 0.00 N ATOM 30 CA ASP A 3 4.931 -1.417 -6.178 1.00 0.00 C ATOM 31 C ASP A 3 6.416 -1.681 -6.629 1.00 0.00 C ATOM 32 O ASP A 3 7.297 -0.911 -6.226 1.00 0.00 O ATOM 33 CB ASP A 3 4.477 0.057 -6.349 1.00 0.00 C ATOM 34 CG ASP A 3 4.386 0.506 -7.809 1.00 0.00 C ATOM 35 OD1 ASP A 3 5.371 0.671 -8.524 1.00 0.00 O ATOM 36 OD2 ASP A 3 3.096 0.675 -8.225 1.00 0.00 O ATOM 0 HA ASP A 3 4.308 -2.022 -6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.503 0.185 -5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.175 0.707 -5.821 1.00 0.00 H new ATOM 41 N PRO A 4 6.748 -2.697 -7.481 1.00 0.00 N ATOM 42 CA PRO A 4 8.146 -2.933 -7.943 1.00 0.00 C ATOM 43 C PRO A 4 8.755 -1.904 -8.957 1.00 0.00 C ATOM 44 O PRO A 4 9.971 -1.706 -8.954 1.00 0.00 O ATOM 45 CB PRO A 4 8.061 -4.376 -8.478 1.00 0.00 C ATOM 46 CG PRO A 4 6.616 -4.557 -8.946 1.00 0.00 C ATOM 47 CD PRO A 4 5.786 -3.691 -7.996 1.00 0.00 C ATOM 0 HA PRO A 4 8.861 -2.789 -7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.761 -4.532 -9.299 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.315 -5.098 -7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.493 -4.239 -9.981 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.312 -5.603 -8.896 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.957 -3.211 -8.516 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.356 -4.284 -7.189 1.00 0.00 H new ATOM 55 N ALA A 5 7.935 -1.221 -9.778 1.00 0.00 N ATOM 56 CA ALA A 5 8.399 -0.098 -10.644 1.00 0.00 C ATOM 57 C ALA A 5 8.894 1.175 -9.878 1.00 0.00 C ATOM 58 O ALA A 5 9.992 1.667 -10.151 1.00 0.00 O ATOM 59 CB ALA A 5 7.259 0.204 -11.635 1.00 0.00 C ATOM 0 H ALA A 5 6.939 -1.422 -9.866 1.00 0.00 H new ATOM 0 HA ALA A 5 9.302 -0.413 -11.168 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.555 1.022 -12.291 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.052 -0.684 -12.233 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.363 0.487 -11.083 1.00 0.00 H new ATOM 65 N ALA A 6 8.137 1.652 -8.870 1.00 0.00 N ATOM 66 CA ALA A 6 8.649 2.630 -7.867 1.00 0.00 C ATOM 67 C ALA A 6 9.861 2.155 -6.993 1.00 0.00 C ATOM 68 O ALA A 6 10.760 2.947 -6.703 1.00 0.00 O ATOM 69 CB ALA A 6 7.447 3.052 -7.004 1.00 0.00 C ATOM 0 H ALA A 6 7.165 1.380 -8.722 1.00 0.00 H new ATOM 0 HA ALA A 6 9.080 3.469 -8.413 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.773 3.770 -6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.687 3.510 -7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.028 2.175 -6.510 1.00 0.00 H new ATOM 75 N GLY A 7 9.929 0.857 -6.645 1.00 0.00 N ATOM 76 CA GLY A 7 11.155 0.239 -6.067 1.00 0.00 C ATOM 77 C GLY A 7 12.460 0.227 -6.899 1.00 0.00 C ATOM 78 O GLY A 7 13.539 0.184 -6.310 1.00 0.00 O ATOM 0 H GLY A 7 9.150 0.207 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.369 0.751 -5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.915 -0.795 -5.819 1.00 0.00 H new ATOM 82 N GLU A 8 12.369 0.295 -8.236 1.00 0.00 N ATOM 83 CA GLU A 8 13.548 0.490 -9.129 1.00 0.00 C ATOM 84 C GLU A 8 14.212 1.906 -9.036 1.00 0.00 C ATOM 85 O GLU A 8 15.441 1.994 -8.967 1.00 0.00 O ATOM 86 CB GLU A 8 13.117 0.106 -10.571 1.00 0.00 C ATOM 87 CG GLU A 8 14.297 -0.103 -11.554 1.00 0.00 C ATOM 88 CD GLU A 8 13.873 -0.704 -12.891 1.00 0.00 C ATOM 89 OE1 GLU A 8 13.711 -1.907 -13.079 1.00 0.00 O ATOM 90 OE2 GLU A 8 13.691 0.243 -13.852 1.00 0.00 O ATOM 0 H GLU A 8 11.485 0.218 -8.738 1.00 0.00 H new ATOM 0 HA GLU A 8 14.351 -0.166 -8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.527 -0.810 -10.530 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.466 0.887 -10.964 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.785 0.855 -11.733 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.036 -0.755 -11.089 1.00 0.00 H new ATOM 97 N LYS A 9 13.420 2.998 -8.984 1.00 0.00 N ATOM 98 CA LYS A 9 13.942 4.349 -8.611 1.00 0.00 C ATOM 99 C LYS A 9 14.440 4.504 -7.131 1.00 0.00 C ATOM 100 O LYS A 9 15.462 5.159 -6.910 1.00 0.00 O ATOM 101 CB LYS A 9 12.980 5.474 -9.079 1.00 0.00 C ATOM 102 CG LYS A 9 11.573 5.503 -8.447 1.00 0.00 C ATOM 103 CD LYS A 9 10.748 6.740 -8.863 1.00 0.00 C ATOM 104 CE LYS A 9 9.313 6.779 -8.303 1.00 0.00 C ATOM 105 NZ LYS A 9 9.285 6.990 -6.839 1.00 0.00 N ATOM 0 H LYS A 9 12.422 2.981 -9.193 1.00 0.00 H new ATOM 0 HA LYS A 9 14.871 4.463 -9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.459 6.433 -8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.864 5.392 -10.160 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.033 4.600 -8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.668 5.486 -7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.275 7.637 -8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.699 6.777 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.756 7.578 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.807 5.844 -8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.299 7.009 -6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.793 6.215 -6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.744 7.895 -6.610 1.00 0.00 H new ATOM 118 N VAL A 10 13.797 3.851 -6.138 1.00 0.00 N ATOM 119 CA VAL A 10 14.383 3.676 -4.765 1.00 0.00 C ATOM 120 C VAL A 10 15.727 2.850 -4.764 1.00 0.00 C ATOM 121 O VAL A 10 16.697 3.285 -4.135 1.00 0.00 O ATOM 122 CB VAL A 10 13.324 3.139 -3.735 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.865 3.088 -2.285 1.00 0.00 C ATOM 124 CG2 VAL A 10 12.018 3.967 -3.659 1.00 0.00 C ATOM 0 H VAL A 10 12.873 3.433 -6.249 1.00 0.00 H new ATOM 0 HA VAL A 10 14.664 4.672 -4.422 1.00 0.00 H new ATOM 0 HB VAL A 10 13.112 2.143 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.089 2.709 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.732 2.429 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.156 4.090 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.348 3.523 -2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.252 4.990 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.533 3.972 -4.635 1.00 0.00 H new ATOM 134 N PHE A 11 15.824 1.713 -5.491 1.00 0.00 N ATOM 135 CA PHE A 11 17.118 1.010 -5.740 1.00 0.00 C ATOM 136 C PHE A 11 18.265 1.833 -6.423 1.00 0.00 C ATOM 137 O PHE A 11 19.427 1.537 -6.146 1.00 0.00 O ATOM 138 CB PHE A 11 16.826 -0.326 -6.483 1.00 0.00 C ATOM 139 CG PHE A 11 18.021 -1.297 -6.592 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.546 -1.906 -5.448 1.00 0.00 C ATOM 141 CD2 PHE A 11 18.617 -1.548 -7.832 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.673 -2.719 -5.538 1.00 0.00 C ATOM 143 CE2 PHE A 11 19.740 -2.369 -7.921 1.00 0.00 C ATOM 144 CZ PHE A 11 20.277 -2.941 -6.771 1.00 0.00 C ATOM 0 H PHE A 11 15.020 1.255 -5.921 1.00 0.00 H new ATOM 0 HA PHE A 11 17.545 0.829 -4.753 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.010 -0.836 -5.971 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.475 -0.094 -7.489 1.00 0.00 H new ATOM 0 HD1 PHE A 11 18.075 -1.745 -4.490 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.205 -1.103 -8.726 1.00 0.00 H new ATOM 0 HE1 PHE A 11 20.079 -3.178 -4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.193 -2.561 -8.882 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.162 -3.557 -6.836 1.00 0.00 H new ATOM 154 N GLY A 12 17.993 2.875 -7.231 1.00 0.00 N ATOM 155 CA GLY A 12 19.043 3.843 -7.676 1.00 0.00 C ATOM 156 C GLY A 12 19.943 4.530 -6.607 1.00 0.00 C ATOM 157 O GLY A 12 21.125 4.764 -6.861 1.00 0.00 O ATOM 0 H GLY A 12 17.062 3.078 -7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.700 3.319 -8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.545 4.631 -8.241 1.00 0.00 H new ATOM 161 N LYS A 13 19.401 4.784 -5.405 1.00 0.00 N ATOM 162 CA LYS A 13 20.210 5.095 -4.183 1.00 0.00 C ATOM 163 C LYS A 13 21.151 3.942 -3.664 1.00 0.00 C ATOM 164 O LYS A 13 22.238 4.220 -3.153 1.00 0.00 O ATOM 165 CB LYS A 13 19.238 5.568 -3.065 1.00 0.00 C ATOM 166 CG LYS A 13 18.532 6.924 -3.315 1.00 0.00 C ATOM 167 CD LYS A 13 17.461 7.302 -2.270 1.00 0.00 C ATOM 168 CE LYS A 13 16.136 6.534 -2.429 1.00 0.00 C ATOM 169 NZ LYS A 13 15.130 7.058 -1.482 1.00 0.00 N ATOM 0 H LYS A 13 18.395 4.783 -5.238 1.00 0.00 H new ATOM 0 HA LYS A 13 20.911 5.879 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.475 4.803 -2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.795 5.637 -2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 13 19.286 7.710 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.065 6.898 -4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.859 7.117 -1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.261 8.371 -2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.770 6.631 -3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.298 5.471 -2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.346 6.380 -1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.570 7.196 -0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.765 7.967 -1.831 1.00 0.00 H new ATOM 182 N CYS A 14 20.746 2.666 -3.799 1.00 0.00 N ATOM 183 CA CYS A 14 21.625 1.488 -3.574 1.00 0.00 C ATOM 184 C CYS A 14 22.667 1.169 -4.711 1.00 0.00 C ATOM 185 O CYS A 14 23.763 0.700 -4.394 1.00 0.00 O ATOM 186 CB CYS A 14 20.699 0.269 -3.340 1.00 0.00 C ATOM 187 SG CYS A 14 19.164 0.636 -2.436 1.00 0.00 S ATOM 0 H CYS A 14 19.795 2.414 -4.069 1.00 0.00 H new ATOM 0 HA CYS A 14 22.253 1.723 -2.714 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.440 -0.163 -4.307 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.255 -0.491 -2.790 1.00 0.00 H new ATOM 0 HG CYS A 14 18.469 -0.454 -2.301 1.00 0.00 H new ATOM 192 N LYS A 15 22.341 1.402 -6.006 1.00 0.00 N ATOM 193 CA LYS A 15 23.191 1.012 -7.183 1.00 0.00 C ATOM 194 C LYS A 15 24.696 1.440 -7.209 1.00 0.00 C ATOM 195 O LYS A 15 25.521 0.699 -7.749 1.00 0.00 O ATOM 196 CB LYS A 15 22.525 1.512 -8.502 1.00 0.00 C ATOM 197 CG LYS A 15 21.273 0.748 -8.984 1.00 0.00 C ATOM 198 CD LYS A 15 20.736 1.293 -10.324 1.00 0.00 C ATOM 199 CE LYS A 15 19.377 0.683 -10.701 1.00 0.00 C ATOM 200 NZ LYS A 15 18.903 1.232 -11.985 1.00 0.00 N ATOM 0 H LYS A 15 21.476 1.869 -6.277 1.00 0.00 H new ATOM 0 HA LYS A 15 23.230 -0.073 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.253 2.559 -8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 15 23.272 1.474 -9.295 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.515 -0.309 -9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.493 0.819 -8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.640 2.377 -10.260 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.457 1.083 -11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.466 -0.401 -10.773 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.648 0.892 -9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.984 0.809 -12.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.799 2.264 -11.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.591 1.011 -12.732 1.00 0.00 H new ATOM 213 N ALA A 16 25.059 2.608 -6.648 1.00 0.00 N ATOM 214 CA ALA A 16 26.486 2.993 -6.449 1.00 0.00 C ATOM 215 C ALA A 16 27.348 2.047 -5.543 1.00 0.00 C ATOM 216 O ALA A 16 28.544 1.881 -5.795 1.00 0.00 O ATOM 217 CB ALA A 16 26.475 4.442 -5.924 1.00 0.00 C ATOM 0 H ALA A 16 24.392 3.307 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 16 26.993 2.897 -7.409 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.499 4.777 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 16 25.994 5.091 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.924 4.484 -4.984 1.00 0.00 H new ATOM 223 N CYS A 17 26.737 1.422 -4.521 1.00 0.00 N ATOM 224 CA CYS A 17 27.369 0.333 -3.739 1.00 0.00 C ATOM 225 C CYS A 17 27.007 -1.131 -4.171 1.00 0.00 C ATOM 226 O CYS A 17 27.902 -1.979 -4.133 1.00 0.00 O ATOM 227 CB CYS A 17 27.000 0.578 -2.267 1.00 0.00 C ATOM 228 SG CYS A 17 27.555 2.206 -1.670 1.00 0.00 S ATOM 0 H CYS A 17 25.793 1.653 -4.211 1.00 0.00 H new ATOM 0 HA CYS A 17 28.442 0.380 -3.924 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.919 0.501 -2.149 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.445 -0.203 -1.650 1.00 0.00 H new ATOM 0 HG CYS A 17 27.212 2.352 -0.425 1.00 0.00 H new ATOM 233 N HIS A 18 25.738 -1.453 -4.498 1.00 0.00 N ATOM 234 CA HIS A 18 25.268 -2.859 -4.691 1.00 0.00 C ATOM 235 C HIS A 18 24.798 -3.141 -6.153 1.00 0.00 C ATOM 236 O HIS A 18 24.073 -2.332 -6.741 1.00 0.00 O ATOM 237 CB HIS A 18 24.056 -3.116 -3.755 1.00 0.00 C ATOM 238 CG HIS A 18 24.335 -3.234 -2.262 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.686 -4.412 -1.660 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.942 -2.310 -1.293 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.420 -4.125 -0.356 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.904 -2.882 -0.005 1.00 0.00 N ATOM 0 H HIS A 18 25.006 -0.756 -4.637 1.00 0.00 H new ATOM 0 HA HIS A 18 26.111 -3.512 -4.466 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.340 -2.307 -3.901 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.568 -4.035 -4.080 1.00 0.00 H new ATOM 0 HD1 HIS A 18 25.048 -5.271 -2.075 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.696 -1.280 -1.504 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.610 -4.864 0.408 1.00 0.00 H new ATOM 250 N LYS A 19 25.097 -4.340 -6.695 1.00 0.00 N ATOM 251 CA LYS A 19 24.498 -4.810 -7.983 1.00 0.00 C ATOM 252 C LYS A 19 23.647 -6.104 -7.770 1.00 0.00 C ATOM 253 O LYS A 19 23.972 -6.984 -6.968 1.00 0.00 O ATOM 254 CB LYS A 19 25.560 -5.044 -9.103 1.00 0.00 C ATOM 255 CG LYS A 19 26.641 -3.957 -9.336 1.00 0.00 C ATOM 256 CD LYS A 19 26.087 -2.591 -9.802 1.00 0.00 C ATOM 257 CE LYS A 19 27.148 -1.487 -9.963 1.00 0.00 C ATOM 258 NZ LYS A 19 28.004 -1.697 -11.148 1.00 0.00 N ATOM 0 H LYS A 19 25.745 -5.004 -6.271 1.00 0.00 H new ATOM 0 HA LYS A 19 23.847 -4.004 -8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.073 -5.980 -8.883 1.00 0.00 H new ATOM 0 HB3 LYS A 19 25.025 -5.187 -10.042 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.198 -3.812 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.349 -4.321 -10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 19 25.577 -2.727 -10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 19 25.338 -2.254 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 19 26.652 -0.520 -10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 19 27.771 -1.453 -9.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 28.702 -0.928 -11.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 28.499 -2.608 -11.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 27.415 -1.703 -12.005 1.00 0.00 H new ATOM 271 N LEU A 20 22.576 -6.262 -8.561 1.00 0.00 N ATOM 272 CA LEU A 20 21.842 -7.562 -8.678 1.00 0.00 C ATOM 273 C LEU A 20 22.523 -8.634 -9.591 1.00 0.00 C ATOM 274 O LEU A 20 22.440 -9.828 -9.287 1.00 0.00 O ATOM 275 CB LEU A 20 20.386 -7.255 -9.131 1.00 0.00 C ATOM 276 CG LEU A 20 19.484 -6.581 -8.059 1.00 0.00 C ATOM 277 CD1 LEU A 20 18.337 -5.801 -8.719 1.00 0.00 C ATOM 278 CD2 LEU A 20 18.880 -7.614 -7.101 1.00 0.00 C ATOM 0 H LEU A 20 22.187 -5.514 -9.136 1.00 0.00 H new ATOM 0 HA LEU A 20 21.855 -8.031 -7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.425 -6.609 -10.008 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.916 -8.188 -9.443 1.00 0.00 H new ATOM 0 HG LEU A 20 20.122 -5.899 -7.497 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.720 -5.339 -7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.749 -5.027 -9.367 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.727 -6.483 -9.311 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.256 -7.107 -6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.273 -8.322 -7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.681 -8.148 -6.590 1.00 0.00 H new ATOM 290 N ASP A 21 23.202 -8.249 -10.691 1.00 0.00 N ATOM 291 CA ASP A 21 23.703 -9.219 -11.706 1.00 0.00 C ATOM 292 C ASP A 21 25.110 -9.805 -11.344 1.00 0.00 C ATOM 293 O ASP A 21 26.088 -9.573 -12.066 1.00 0.00 O ATOM 294 CB ASP A 21 23.626 -8.479 -13.073 1.00 0.00 C ATOM 295 CG ASP A 21 23.826 -9.335 -14.326 1.00 0.00 C ATOM 296 OD1 ASP A 21 25.093 -9.841 -14.417 1.00 0.00 O ATOM 297 OD2 ASP A 21 22.946 -9.521 -15.161 1.00 0.00 O ATOM 0 H ASP A 21 23.420 -7.276 -10.906 1.00 0.00 H new ATOM 0 HA ASP A 21 23.090 -10.119 -11.746 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.653 -7.993 -13.144 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.377 -7.689 -13.076 1.00 0.00 H new ATOM 302 N GLY A 22 25.209 -10.578 -10.246 1.00 0.00 N ATOM 303 CA GLY A 22 26.482 -11.255 -9.857 1.00 0.00 C ATOM 304 C GLY A 22 27.563 -10.411 -9.143 1.00 0.00 C ATOM 305 O GLY A 22 28.112 -10.844 -8.129 1.00 0.00 O ATOM 0 H GLY A 22 24.432 -10.755 -9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.230 -12.093 -9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.927 -11.674 -10.760 1.00 0.00 H new ATOM 309 N ASN A 23 27.896 -9.230 -9.684 1.00 0.00 N ATOM 310 CA ASN A 23 28.935 -8.332 -9.105 1.00 0.00 C ATOM 311 C ASN A 23 28.514 -7.708 -7.731 1.00 0.00 C ATOM 312 O ASN A 23 27.336 -7.548 -7.401 1.00 0.00 O ATOM 313 CB ASN A 23 29.316 -7.203 -10.102 1.00 0.00 C ATOM 314 CG ASN A 23 29.808 -7.632 -11.490 1.00 0.00 C ATOM 315 OD1 ASN A 23 30.930 -8.092 -11.662 1.00 0.00 O ATOM 316 ND2 ASN A 23 29.000 -7.497 -12.515 1.00 0.00 N ATOM 0 H ASN A 23 27.462 -8.862 -10.530 1.00 0.00 H new ATOM 0 HA ASN A 23 29.805 -8.962 -8.920 1.00 0.00 H new ATOM 0 HB2 ASN A 23 28.445 -6.562 -10.235 1.00 0.00 H new ATOM 0 HB3 ASN A 23 30.093 -6.593 -9.641 1.00 0.00 H new ATOM 0 HD21 ASN A 23 29.308 -7.774 -13.447 1.00 0.00 H new ATOM 0 HD22 ASN A 23 28.064 -7.115 -12.380 1.00 0.00 H new ATOM 323 N ASP A 24 29.529 -7.365 -6.929 1.00 0.00 N ATOM 324 CA ASP A 24 29.329 -6.766 -5.576 1.00 0.00 C ATOM 325 C ASP A 24 29.455 -5.209 -5.685 1.00 0.00 C ATOM 326 O ASP A 24 28.438 -4.540 -5.892 1.00 0.00 O ATOM 327 CB ASP A 24 30.264 -7.504 -4.562 1.00 0.00 C ATOM 328 CG ASP A 24 29.962 -8.969 -4.208 1.00 0.00 C ATOM 329 OD1 ASP A 24 29.472 -9.686 -5.258 1.00 0.00 O ATOM 330 OD2 ASP A 24 30.153 -9.435 -3.090 1.00 0.00 O ATOM 0 H ASP A 24 30.509 -7.488 -7.184 1.00 0.00 H new ATOM 0 HA ASP A 24 28.328 -6.916 -5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.279 -7.463 -4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.261 -6.933 -3.634 1.00 0.00 H new ATOM 335 N GLY A 25 30.676 -4.650 -5.599 1.00 0.00 N ATOM 336 CA GLY A 25 30.919 -3.185 -5.713 1.00 0.00 C ATOM 337 C GLY A 25 31.543 -2.609 -4.429 1.00 0.00 C ATOM 338 O GLY A 25 32.698 -2.902 -4.113 1.00 0.00 O ATOM 0 H GLY A 25 31.526 -5.193 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 25 31.580 -2.991 -6.558 1.00 0.00 H new ATOM 0 HA3 GLY A 25 29.978 -2.675 -5.921 1.00 0.00 H new ATOM 342 N VAL A 26 30.762 -1.821 -3.680 1.00 0.00 N ATOM 343 CA VAL A 26 31.069 -1.503 -2.244 1.00 0.00 C ATOM 344 C VAL A 26 30.316 -2.497 -1.289 1.00 0.00 C ATOM 345 O VAL A 26 30.944 -3.023 -0.368 1.00 0.00 O ATOM 346 CB VAL A 26 30.824 0.007 -1.882 1.00 0.00 C ATOM 347 CG1 VAL A 26 31.222 0.367 -0.429 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.553 1.010 -2.806 1.00 0.00 C ATOM 0 H VAL A 26 29.909 -1.383 -4.027 1.00 0.00 H new ATOM 0 HA VAL A 26 32.139 -1.651 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 26 29.747 0.104 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 26 31.026 1.424 -0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.638 -0.234 0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.283 0.165 -0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.330 2.028 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.628 0.840 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.216 0.870 -3.833 1.00 0.00 H new ATOM 358 N GLY A 27 29.004 -2.745 -1.485 1.00 0.00 N ATOM 359 CA GLY A 27 28.282 -3.846 -0.802 1.00 0.00 C ATOM 360 C GLY A 27 28.176 -5.189 -1.583 1.00 0.00 C ATOM 361 O GLY A 27 28.514 -5.234 -2.768 1.00 0.00 O ATOM 0 H GLY A 27 28.418 -2.196 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.777 -4.041 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 27 27.273 -3.503 -0.572 1.00 0.00 H new ATOM 365 N PRO A 28 27.675 -6.305 -0.983 1.00 0.00 N ATOM 366 CA PRO A 28 27.474 -7.597 -1.702 1.00 0.00 C ATOM 367 C PRO A 28 26.376 -7.612 -2.817 1.00 0.00 C ATOM 368 O PRO A 28 25.566 -6.689 -2.942 1.00 0.00 O ATOM 369 CB PRO A 28 27.132 -8.533 -0.522 1.00 0.00 C ATOM 370 CG PRO A 28 26.476 -7.632 0.518 1.00 0.00 C ATOM 371 CD PRO A 28 27.323 -6.374 0.445 1.00 0.00 C ATOM 0 HA PRO A 28 28.347 -7.874 -2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.459 -9.331 -0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.028 -9.009 -0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.431 -7.432 0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 28 26.497 -8.078 1.512 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.769 -5.493 0.769 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.208 -6.444 1.078 1.00 0.00 H new ATOM 379 N HIS A 29 26.311 -8.696 -3.612 1.00 0.00 N ATOM 380 CA HIS A 29 25.202 -8.895 -4.590 1.00 0.00 C ATOM 381 C HIS A 29 23.817 -9.189 -3.910 1.00 0.00 C ATOM 382 O HIS A 29 23.720 -10.070 -3.048 1.00 0.00 O ATOM 383 CB HIS A 29 25.616 -9.941 -5.664 1.00 0.00 C ATOM 384 CG HIS A 29 25.870 -11.393 -5.236 1.00 0.00 C ATOM 385 ND1 HIS A 29 27.116 -11.994 -5.293 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.881 -12.347 -4.951 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.751 -13.293 -5.061 1.00 0.00 C ATOM 388 NE2 HIS A 29 25.440 -13.607 -4.821 1.00 0.00 N ATOM 0 H HIS A 29 27.002 -9.446 -3.604 1.00 0.00 H new ATOM 0 HA HIS A 29 25.036 -7.950 -5.108 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.837 -9.955 -6.426 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.524 -9.577 -6.144 1.00 0.00 H new ATOM 0 HD1 HIS A 29 28.037 -11.588 -5.459 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.828 -12.128 -4.847 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.499 -14.072 -5.067 1.00 0.00 H new ATOM 396 N LEU A 30 22.744 -8.459 -4.280 1.00 0.00 N ATOM 397 CA LEU A 30 21.421 -8.571 -3.579 1.00 0.00 C ATOM 398 C LEU A 30 20.341 -9.462 -4.292 1.00 0.00 C ATOM 399 O LEU A 30 19.150 -9.340 -3.989 1.00 0.00 O ATOM 400 CB LEU A 30 20.907 -7.126 -3.288 1.00 0.00 C ATOM 401 CG LEU A 30 21.697 -6.251 -2.274 1.00 0.00 C ATOM 402 CD1 LEU A 30 21.043 -4.861 -2.159 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.797 -6.857 -0.862 1.00 0.00 C ATOM 0 H LEU A 30 22.753 -7.790 -5.050 1.00 0.00 H new ATOM 0 HA LEU A 30 21.592 -9.118 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.874 -6.588 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.881 -7.204 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 30 22.710 -6.188 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.602 -4.254 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 30 21.049 -4.374 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 30 20.015 -4.970 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.363 -6.185 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.796 -6.995 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.303 -7.821 -0.915 1.00 0.00 H new ATOM 415 N ASN A 31 20.741 -10.383 -5.193 1.00 0.00 N ATOM 416 CA ASN A 31 19.805 -11.212 -6.017 1.00 0.00 C ATOM 417 C ASN A 31 18.935 -12.226 -5.205 1.00 0.00 C ATOM 418 O ASN A 31 19.363 -13.333 -4.874 1.00 0.00 O ATOM 419 CB ASN A 31 20.560 -11.853 -7.216 1.00 0.00 C ATOM 420 CG ASN A 31 21.854 -12.655 -6.993 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.009 -13.462 -6.080 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.838 -12.451 -7.833 1.00 0.00 N ATOM 0 H ASN A 31 21.724 -10.582 -5.378 1.00 0.00 H new ATOM 0 HA ASN A 31 19.058 -10.528 -6.420 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.856 -12.514 -7.721 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.797 -11.049 -7.912 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.716 -12.959 -7.723 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.726 -11.784 -8.597 1.00 0.00 H new ATOM 429 N GLY A 32 17.726 -11.802 -4.807 1.00 0.00 N ATOM 430 CA GLY A 32 16.939 -12.515 -3.766 1.00 0.00 C ATOM 431 C GLY A 32 17.442 -12.375 -2.311 1.00 0.00 C ATOM 432 O GLY A 32 17.480 -13.361 -1.576 1.00 0.00 O ATOM 0 H GLY A 32 17.266 -10.973 -5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.911 -12.156 -3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.917 -13.575 -4.020 1.00 0.00 H new ATOM 436 N VAL A 33 17.781 -11.149 -1.877 1.00 0.00 N ATOM 437 CA VAL A 33 18.022 -10.830 -0.431 1.00 0.00 C ATOM 438 C VAL A 33 16.781 -10.990 0.529 1.00 0.00 C ATOM 439 O VAL A 33 16.962 -11.321 1.704 1.00 0.00 O ATOM 440 CB VAL A 33 18.771 -9.462 -0.296 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.926 -8.215 -0.644 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.390 -9.278 1.108 1.00 0.00 C ATOM 0 H VAL A 33 17.898 -10.349 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 33 18.679 -11.614 -0.054 1.00 0.00 H new ATOM 0 HB VAL A 33 19.557 -9.527 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.533 -7.318 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.586 -8.283 -1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.063 -8.164 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.900 -8.316 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.602 -9.310 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.106 -10.078 1.298 1.00 0.00 H new ATOM 452 N VAL A 34 15.541 -10.795 0.037 1.00 0.00 N ATOM 453 CA VAL A 34 14.288 -11.060 0.805 1.00 0.00 C ATOM 454 C VAL A 34 14.093 -12.615 0.942 1.00 0.00 C ATOM 455 O VAL A 34 13.719 -13.292 -0.021 1.00 0.00 O ATOM 456 CB VAL A 34 13.060 -10.344 0.129 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.790 -10.437 1.005 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.251 -8.846 -0.220 1.00 0.00 C ATOM 0 H VAL A 34 15.370 -10.448 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 34 14.364 -10.643 1.809 1.00 0.00 H new ATOM 0 HB VAL A 34 12.961 -10.892 -0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.965 -9.931 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.532 -11.484 1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.976 -9.961 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.341 -8.461 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.463 -8.285 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.083 -8.738 -0.916 1.00 0.00 H new ATOM 468 N GLY A 35 14.412 -13.174 2.123 1.00 0.00 N ATOM 469 CA GLY A 35 14.629 -14.645 2.289 1.00 0.00 C ATOM 470 C GLY A 35 16.080 -15.211 2.282 1.00 0.00 C ATOM 471 O GLY A 35 16.237 -16.430 2.343 1.00 0.00 O ATOM 0 H GLY A 35 14.528 -12.639 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.168 -14.939 3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.078 -15.148 1.494 1.00 0.00 H new ATOM 475 N ARG A 36 17.125 -14.370 2.234 1.00 0.00 N ATOM 476 CA ARG A 36 18.552 -14.791 2.372 1.00 0.00 C ATOM 477 C ARG A 36 19.032 -14.682 3.856 1.00 0.00 C ATOM 478 O ARG A 36 18.590 -13.785 4.581 1.00 0.00 O ATOM 479 CB ARG A 36 19.329 -13.815 1.441 1.00 0.00 C ATOM 480 CG ARG A 36 20.859 -13.997 1.271 1.00 0.00 C ATOM 481 CD ARG A 36 21.528 -12.840 0.492 1.00 0.00 C ATOM 482 NE ARG A 36 21.241 -12.837 -0.971 1.00 0.00 N ATOM 483 CZ ARG A 36 21.957 -13.456 -1.911 1.00 0.00 C ATOM 484 NH1 ARG A 36 23.027 -14.169 -1.678 1.00 0.00 N ATOM 485 NH2 ARG A 36 21.570 -13.355 -3.143 1.00 0.00 N ATOM 0 H ARG A 36 17.015 -13.365 2.097 1.00 0.00 H new ATOM 0 HA ARG A 36 18.711 -15.834 2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.878 -13.876 0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.157 -12.803 1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.320 -14.078 2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 36 21.051 -14.935 0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.197 -11.892 0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 36 22.607 -12.895 0.638 1.00 0.00 H new ATOM 0 HE ARG A 36 20.422 -12.314 -1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 36 23.367 -14.281 -0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.522 -14.613 -2.451 1.00 0.00 H new ATOM 0 HH21 ARG A 36 20.737 -12.813 -3.373 1.00 0.00 H new ATOM 0 HH22 ARG A 36 22.098 -13.818 -3.883 1.00 0.00 H new ATOM 499 N THR A 37 20.005 -15.510 4.303 1.00 0.00 N ATOM 500 CA THR A 37 20.678 -15.296 5.627 1.00 0.00 C ATOM 501 C THR A 37 21.352 -13.890 5.769 1.00 0.00 C ATOM 502 O THR A 37 21.858 -13.304 4.802 1.00 0.00 O ATOM 503 CB THR A 37 21.658 -16.444 6.030 1.00 0.00 C ATOM 504 OG1 THR A 37 21.981 -16.346 7.412 1.00 0.00 O ATOM 505 CG2 THR A 37 23.012 -16.413 5.319 1.00 0.00 C ATOM 0 H THR A 37 20.344 -16.321 3.785 1.00 0.00 H new ATOM 0 HA THR A 37 19.858 -15.324 6.345 1.00 0.00 H new ATOM 0 HB THR A 37 21.123 -17.353 5.756 1.00 0.00 H new ATOM 0 HG1 THR A 37 22.626 -15.621 7.547 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.623 -17.247 5.663 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.860 -16.495 4.243 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.519 -15.475 5.544 1.00 0.00 H new ATOM 513 N VAL A 38 21.457 -13.415 7.013 1.00 0.00 N ATOM 514 CA VAL A 38 22.346 -12.277 7.361 1.00 0.00 C ATOM 515 C VAL A 38 23.842 -12.760 7.359 1.00 0.00 C ATOM 516 O VAL A 38 24.162 -13.872 7.795 1.00 0.00 O ATOM 517 CB VAL A 38 21.875 -11.593 8.689 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.642 -10.278 8.969 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.352 -11.318 8.765 1.00 0.00 C ATOM 0 H VAL A 38 20.940 -13.795 7.806 1.00 0.00 H new ATOM 0 HA VAL A 38 22.281 -11.493 6.607 1.00 0.00 H new ATOM 0 HB VAL A 38 22.108 -12.329 9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.283 -9.838 9.899 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.708 -10.490 9.055 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.476 -9.579 8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.115 -10.843 9.717 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.060 -10.658 7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.808 -12.259 8.683 1.00 0.00 H new ATOM 529 N ALA A 39 24.719 -11.945 6.740 1.00 0.00 N ATOM 530 CA ALA A 39 26.027 -12.399 6.174 1.00 0.00 C ATOM 531 C ALA A 39 25.984 -13.423 4.976 1.00 0.00 C ATOM 532 O ALA A 39 26.902 -14.232 4.807 1.00 0.00 O ATOM 533 CB ALA A 39 27.022 -12.761 7.301 1.00 0.00 C ATOM 0 H ALA A 39 24.549 -10.947 6.613 1.00 0.00 H new ATOM 0 HA ALA A 39 26.416 -11.525 5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 39 27.965 -13.088 6.863 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.197 -11.886 7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.606 -13.565 7.909 1.00 0.00 H new ATOM 581 N PHE A 44 32.052 -11.975 -0.220 1.00 0.00 N ATOM 582 CA PHE A 44 32.148 -10.696 0.532 1.00 0.00 C ATOM 583 C PHE A 44 32.534 -10.941 2.031 1.00 0.00 C ATOM 584 O PHE A 44 31.887 -11.726 2.733 1.00 0.00 O ATOM 585 CB PHE A 44 30.788 -9.956 0.370 1.00 0.00 C ATOM 586 CG PHE A 44 30.807 -8.495 0.847 1.00 0.00 C ATOM 587 CD1 PHE A 44 30.557 -8.182 2.187 1.00 0.00 C ATOM 588 CD2 PHE A 44 31.161 -7.475 -0.041 1.00 0.00 C ATOM 589 CE1 PHE A 44 30.695 -6.874 2.641 1.00 0.00 C ATOM 590 CE2 PHE A 44 31.287 -6.166 0.411 1.00 0.00 C ATOM 591 CZ PHE A 44 31.056 -5.864 1.752 1.00 0.00 C ATOM 0 HA PHE A 44 32.947 -10.071 0.132 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.496 -9.980 -0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.023 -10.498 0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 44 30.255 -8.960 2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 44 31.337 -7.704 -1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 44 30.522 -6.642 3.682 1.00 0.00 H new ATOM 0 HE2 PHE A 44 31.564 -5.382 -0.278 1.00 0.00 H new ATOM 0 HZ PHE A 44 31.157 -4.847 2.102 1.00 0.00 H new ATOM 601 N ASN A 45 33.556 -10.223 2.536 1.00 0.00 N ATOM 602 CA ASN A 45 33.926 -10.266 3.978 1.00 0.00 C ATOM 603 C ASN A 45 33.048 -9.277 4.817 1.00 0.00 C ATOM 604 O ASN A 45 33.268 -8.062 4.822 1.00 0.00 O ATOM 605 CB ASN A 45 35.450 -10.006 4.107 1.00 0.00 C ATOM 606 CG ASN A 45 35.995 -10.260 5.519 1.00 0.00 C ATOM 607 OD1 ASN A 45 36.066 -11.389 5.991 1.00 0.00 O ATOM 608 ND2 ASN A 45 36.349 -9.233 6.252 1.00 0.00 N ATOM 0 H ASN A 45 34.143 -9.606 1.975 1.00 0.00 H new ATOM 0 HA ASN A 45 33.720 -11.252 4.394 1.00 0.00 H new ATOM 0 HB2 ASN A 45 35.981 -10.644 3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.660 -8.974 3.825 1.00 0.00 H new ATOM 0 HD21 ASN A 45 36.680 -9.377 7.206 1.00 0.00 H new ATOM 0 HD22 ASN A 45 36.294 -8.289 5.869 1.00 0.00 H new ATOM 615 N TYR A 46 32.070 -9.834 5.543 1.00 0.00 N ATOM 616 CA TYR A 46 31.146 -9.052 6.412 1.00 0.00 C ATOM 617 C TYR A 46 31.751 -8.713 7.823 1.00 0.00 C ATOM 618 O TYR A 46 32.749 -9.299 8.260 1.00 0.00 O ATOM 619 CB TYR A 46 29.823 -9.870 6.536 1.00 0.00 C ATOM 620 CG TYR A 46 28.971 -10.039 5.262 1.00 0.00 C ATOM 621 CD1 TYR A 46 27.959 -9.123 4.965 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.148 -11.150 4.431 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.110 -9.334 3.886 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.315 -11.347 3.333 1.00 0.00 C ATOM 625 CZ TYR A 46 27.278 -10.452 3.077 1.00 0.00 C ATOM 626 OH TYR A 46 26.370 -10.706 2.085 1.00 0.00 O ATOM 0 H TYR A 46 31.887 -10.837 5.553 1.00 0.00 H new ATOM 0 HA TYR A 46 30.963 -8.080 5.953 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.075 -10.864 6.907 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.203 -9.394 7.295 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.836 -8.243 5.579 1.00 0.00 H new ATOM 0 HD2 TYR A 46 29.935 -11.859 4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.319 -8.629 3.676 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.472 -12.193 2.680 1.00 0.00 H new ATOM 0 HH TYR A 46 26.627 -11.522 1.607 1.00 0.00 H new ATOM 636 N SER A 47 31.124 -7.777 8.567 1.00 0.00 N ATOM 637 CA SER A 47 31.518 -7.475 9.974 1.00 0.00 C ATOM 638 C SER A 47 31.173 -8.593 11.022 1.00 0.00 C ATOM 639 O SER A 47 30.332 -9.469 10.791 1.00 0.00 O ATOM 640 CB SER A 47 30.928 -6.092 10.358 1.00 0.00 C ATOM 641 OG SER A 47 29.506 -6.100 10.502 1.00 0.00 O ATOM 0 H SER A 47 30.345 -7.215 8.225 1.00 0.00 H new ATOM 0 HA SER A 47 32.607 -7.446 10.010 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.378 -5.761 11.294 1.00 0.00 H new ATOM 0 HB3 SER A 47 31.204 -5.363 9.596 1.00 0.00 H new ATOM 0 HG SER A 47 29.257 -5.616 11.317 1.00 0.00 H new ATOM 647 N ASP A 48 31.820 -8.541 12.205 1.00 0.00 N ATOM 648 CA ASP A 48 31.571 -9.505 13.320 1.00 0.00 C ATOM 649 C ASP A 48 30.088 -9.598 13.849 1.00 0.00 C ATOM 650 O ASP A 48 29.586 -10.725 13.885 1.00 0.00 O ATOM 651 CB ASP A 48 32.581 -9.227 14.471 1.00 0.00 C ATOM 652 CG ASP A 48 33.025 -10.482 15.217 1.00 0.00 C ATOM 653 OD1 ASP A 48 32.197 -10.790 16.252 1.00 0.00 O ATOM 654 OD2 ASP A 48 34.013 -11.142 14.914 1.00 0.00 O ATOM 0 H ASP A 48 32.527 -7.838 12.423 1.00 0.00 H new ATOM 0 HA ASP A 48 31.732 -10.495 12.894 1.00 0.00 H new ATOM 0 HB2 ASP A 48 33.460 -8.731 14.059 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.127 -8.535 15.181 1.00 0.00 H new ATOM 659 N PRO A 49 29.342 -8.512 14.232 1.00 0.00 N ATOM 660 CA PRO A 49 27.895 -8.617 14.578 1.00 0.00 C ATOM 661 C PRO A 49 26.905 -8.930 13.401 1.00 0.00 C ATOM 662 O PRO A 49 25.824 -9.468 13.646 1.00 0.00 O ATOM 663 CB PRO A 49 27.656 -7.274 15.291 1.00 0.00 C ATOM 664 CG PRO A 49 28.620 -6.289 14.629 1.00 0.00 C ATOM 665 CD PRO A 49 29.823 -7.116 14.179 1.00 0.00 C ATOM 0 HA PRO A 49 27.678 -9.493 15.189 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.622 -6.948 15.179 1.00 0.00 H new ATOM 0 HB3 PRO A 49 27.850 -7.356 16.360 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.149 -5.792 13.781 1.00 0.00 H new ATOM 0 HG3 PRO A 49 28.922 -5.509 15.328 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.141 -6.842 13.173 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.679 -6.964 14.836 1.00 0.00 H new ATOM 673 N MET A 50 27.287 -8.663 12.135 1.00 0.00 N ATOM 674 CA MET A 50 26.621 -9.254 10.942 1.00 0.00 C ATOM 675 C MET A 50 26.758 -10.813 10.822 1.00 0.00 C ATOM 676 O MET A 50 25.747 -11.506 10.686 1.00 0.00 O ATOM 677 CB MET A 50 27.181 -8.496 9.710 1.00 0.00 C ATOM 678 CG MET A 50 26.391 -8.726 8.417 1.00 0.00 C ATOM 679 SD MET A 50 24.759 -7.996 8.596 1.00 0.00 S ATOM 680 CE MET A 50 24.633 -7.050 7.080 1.00 0.00 C ATOM 0 H MET A 50 28.059 -8.037 11.905 1.00 0.00 H new ATOM 0 HA MET A 50 25.542 -9.124 11.026 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.194 -7.428 9.930 1.00 0.00 H new ATOM 0 HB3 MET A 50 28.215 -8.801 9.550 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.913 -8.279 7.571 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.306 -9.793 8.211 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.584 -6.943 6.804 1.00 0.00 H new ATOM 0 HE2 MET A 50 25.071 -6.063 7.229 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.167 -7.567 6.283 1.00 0.00 H new ATOM 690 N LYS A 51 27.989 -11.356 10.905 1.00 0.00 N ATOM 691 CA LYS A 51 28.241 -12.825 11.002 1.00 0.00 C ATOM 692 C LYS A 51 27.625 -13.536 12.255 1.00 0.00 C ATOM 693 O LYS A 51 27.051 -14.618 12.109 1.00 0.00 O ATOM 694 CB LYS A 51 29.778 -13.050 10.911 1.00 0.00 C ATOM 695 CG LYS A 51 30.403 -12.838 9.510 1.00 0.00 C ATOM 696 CD LYS A 51 31.931 -12.646 9.566 1.00 0.00 C ATOM 697 CE LYS A 51 32.587 -12.646 8.175 1.00 0.00 C ATOM 698 NZ LYS A 51 33.973 -12.148 8.279 1.00 0.00 N ATOM 0 H LYS A 51 28.842 -10.797 10.907 1.00 0.00 H new ATOM 0 HA LYS A 51 27.718 -13.298 10.171 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.268 -12.376 11.614 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.998 -14.066 11.238 1.00 0.00 H new ATOM 0 HG2 LYS A 51 30.171 -13.696 8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 51 29.948 -11.966 9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.155 -11.705 10.068 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.370 -13.441 10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.583 -13.654 7.760 1.00 0.00 H new ATOM 0 HE3 LYS A 51 32.015 -12.018 7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 34.472 -12.322 7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 33.961 -11.127 8.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.463 -12.644 9.050 1.00 0.00 H new ATOM 711 N ALA A 52 27.694 -12.931 13.458 1.00 0.00 N ATOM 712 CA ALA A 52 26.941 -13.411 14.652 1.00 0.00 C ATOM 713 C ALA A 52 25.371 -13.339 14.624 1.00 0.00 C ATOM 714 O ALA A 52 24.737 -14.034 15.422 1.00 0.00 O ATOM 715 CB ALA A 52 27.516 -12.645 15.858 1.00 0.00 C ATOM 0 H ALA A 52 28.264 -12.104 13.637 1.00 0.00 H new ATOM 0 HA ALA A 52 27.091 -14.490 14.696 1.00 0.00 H new ATOM 0 HB1 ALA A 52 27.000 -12.957 16.766 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.580 -12.861 15.953 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.375 -11.574 15.710 1.00 0.00 H new ATOM 721 N HIS A 53 24.738 -12.558 13.722 1.00 0.00 N ATOM 722 CA HIS A 53 23.265 -12.608 13.486 1.00 0.00 C ATOM 723 C HIS A 53 22.800 -13.952 12.818 1.00 0.00 C ATOM 724 O HIS A 53 22.041 -14.700 13.440 1.00 0.00 O ATOM 725 CB HIS A 53 22.860 -11.307 12.723 1.00 0.00 C ATOM 726 CG HIS A 53 21.362 -10.966 12.636 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.353 -11.867 12.313 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.826 -9.669 12.761 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.279 -11.017 12.295 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.460 -9.683 12.540 1.00 0.00 N ATOM 0 H HIS A 53 25.223 -11.877 13.137 1.00 0.00 H new ATOM 0 HA HIS A 53 22.724 -12.622 14.432 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.368 -10.468 13.198 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.247 -11.380 11.707 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.402 -8.786 12.997 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.290 -11.399 12.088 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.784 -8.920 12.555 1.00 0.00 H new ATOM 738 N GLY A 54 23.224 -14.254 11.572 1.00 0.00 N ATOM 739 CA GLY A 54 22.733 -15.448 10.827 1.00 0.00 C ATOM 740 C GLY A 54 21.254 -15.354 10.384 1.00 0.00 C ATOM 741 O GLY A 54 20.861 -14.379 9.745 1.00 0.00 O ATOM 0 H GLY A 54 23.903 -13.694 11.057 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.356 -15.594 9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.857 -16.331 11.455 1.00 0.00 H new ATOM 745 N GLY A 55 20.424 -16.355 10.712 1.00 0.00 N ATOM 746 CA GLY A 55 18.941 -16.246 10.572 1.00 0.00 C ATOM 747 C GLY A 55 18.412 -15.967 9.147 1.00 0.00 C ATOM 748 O GLY A 55 18.751 -16.709 8.223 1.00 0.00 O ATOM 0 H GLY A 55 20.741 -17.253 11.077 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.493 -17.174 10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.592 -15.450 11.230 1.00 0.00 H new ATOM 752 N ASP A 56 17.620 -14.891 8.966 1.00 0.00 N ATOM 753 CA ASP A 56 17.229 -14.405 7.614 1.00 0.00 C ATOM 754 C ASP A 56 16.868 -12.889 7.557 1.00 0.00 C ATOM 755 O ASP A 56 16.293 -12.307 8.483 1.00 0.00 O ATOM 756 CB ASP A 56 16.032 -15.218 7.032 1.00 0.00 C ATOM 757 CG ASP A 56 16.371 -16.576 6.426 1.00 0.00 C ATOM 758 OD1 ASP A 56 16.995 -16.719 5.381 1.00 0.00 O ATOM 759 OD2 ASP A 56 15.904 -17.612 7.175 1.00 0.00 O ATOM 0 H ASP A 56 17.236 -14.339 9.733 1.00 0.00 H new ATOM 0 HA ASP A 56 18.123 -14.556 7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.302 -15.370 7.827 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.547 -14.613 6.266 1.00 0.00 H new ATOM 764 N TRP A 57 17.088 -12.297 6.366 1.00 0.00 N ATOM 765 CA TRP A 57 16.456 -11.019 5.959 1.00 0.00 C ATOM 766 C TRP A 57 15.001 -11.214 5.422 1.00 0.00 C ATOM 767 O TRP A 57 14.746 -11.286 4.218 1.00 0.00 O ATOM 768 CB TRP A 57 17.391 -10.289 4.945 1.00 0.00 C ATOM 769 CG TRP A 57 18.588 -9.525 5.536 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.929 -9.692 5.125 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.637 -8.659 6.626 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.816 -8.973 5.950 1.00 0.00 N ATOM 773 CE2 TRP A 57 19.999 -8.383 6.897 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.626 -8.192 7.512 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.363 -7.757 8.109 1.00 0.00 C ATOM 776 CZ3 TRP A 57 18.011 -7.567 8.695 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.360 -7.376 9.001 1.00 0.00 C ATOM 0 H TRP A 57 17.708 -12.689 5.657 1.00 0.00 H new ATOM 0 HA TRP A 57 16.340 -10.385 6.838 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.773 -11.028 4.241 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.788 -9.585 4.372 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.236 -10.295 4.284 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.830 -8.903 5.868 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.581 -8.320 7.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.402 -7.576 8.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.255 -7.225 9.386 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.632 -6.926 9.944 1.00 0.00 H new ATOM 788 N THR A 58 14.037 -11.257 6.353 1.00 0.00 N ATOM 789 CA THR A 58 12.576 -11.322 6.045 1.00 0.00 C ATOM 790 C THR A 58 11.969 -9.946 5.566 1.00 0.00 C ATOM 791 O THR A 58 12.553 -8.897 5.881 1.00 0.00 O ATOM 792 CB THR A 58 11.816 -11.848 7.312 1.00 0.00 C ATOM 793 OG1 THR A 58 12.024 -11.006 8.443 1.00 0.00 O ATOM 794 CG2 THR A 58 12.163 -13.283 7.745 1.00 0.00 C ATOM 0 H THR A 58 14.237 -11.248 7.353 1.00 0.00 H new ATOM 0 HA THR A 58 12.448 -12.006 5.206 1.00 0.00 H new ATOM 0 HB THR A 58 10.775 -11.840 6.987 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.534 -11.364 9.212 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.583 -13.547 8.629 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.926 -13.974 6.936 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.226 -13.346 7.977 1.00 0.00 H new ATOM 802 N PRO A 59 10.775 -9.859 4.890 1.00 0.00 N ATOM 803 CA PRO A 59 10.074 -8.554 4.640 1.00 0.00 C ATOM 804 C PRO A 59 9.410 -7.893 5.910 1.00 0.00 C ATOM 805 O PRO A 59 8.206 -7.636 5.992 1.00 0.00 O ATOM 806 CB PRO A 59 9.088 -8.974 3.528 1.00 0.00 C ATOM 807 CG PRO A 59 8.748 -10.436 3.816 1.00 0.00 C ATOM 808 CD PRO A 59 10.057 -11.028 4.334 1.00 0.00 C ATOM 0 HA PRO A 59 10.742 -7.740 4.357 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.193 -8.353 3.542 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.538 -8.863 2.542 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.952 -10.522 4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.406 -10.950 2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.879 -11.788 5.095 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.625 -11.504 3.535 1.00 0.00 H new ATOM 816 N GLU A 60 10.260 -7.629 6.909 1.00 0.00 N ATOM 817 CA GLU A 60 9.889 -7.401 8.338 1.00 0.00 C ATOM 818 C GLU A 60 11.208 -7.046 9.111 1.00 0.00 C ATOM 819 O GLU A 60 11.337 -5.937 9.645 1.00 0.00 O ATOM 820 CB GLU A 60 9.118 -8.615 8.946 1.00 0.00 C ATOM 821 CG GLU A 60 8.624 -8.425 10.401 1.00 0.00 C ATOM 822 CD GLU A 60 7.922 -9.660 10.962 1.00 0.00 C ATOM 823 OE1 GLU A 60 6.603 -9.708 10.608 1.00 0.00 O ATOM 824 OE2 GLU A 60 8.491 -10.508 11.643 1.00 0.00 O ATOM 0 H GLU A 60 11.266 -7.563 6.754 1.00 0.00 H new ATOM 0 HA GLU A 60 9.188 -6.571 8.426 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.257 -8.831 8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.767 -9.490 8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.474 -8.177 11.037 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.940 -7.577 10.438 1.00 0.00 H new ATOM 831 N ALA A 61 12.216 -7.951 9.122 1.00 0.00 N ATOM 832 CA ALA A 61 13.627 -7.595 9.424 1.00 0.00 C ATOM 833 C ALA A 61 14.269 -6.546 8.453 1.00 0.00 C ATOM 834 O ALA A 61 14.814 -5.557 8.947 1.00 0.00 O ATOM 835 CB ALA A 61 14.415 -8.916 9.495 1.00 0.00 C ATOM 0 H ALA A 61 12.078 -8.942 8.924 1.00 0.00 H new ATOM 0 HA ALA A 61 13.661 -7.069 10.378 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.461 -8.704 9.716 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.999 -9.546 10.281 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.344 -9.434 8.539 1.00 0.00 H new ATOM 841 N LEU A 62 14.144 -6.679 7.111 1.00 0.00 N ATOM 842 CA LEU A 62 14.479 -5.575 6.151 1.00 0.00 C ATOM 843 C LEU A 62 13.645 -4.261 6.301 1.00 0.00 C ATOM 844 O LEU A 62 14.204 -3.185 6.109 1.00 0.00 O ATOM 845 CB LEU A 62 14.410 -6.042 4.672 1.00 0.00 C ATOM 846 CG LEU A 62 15.400 -7.145 4.227 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.984 -7.722 2.868 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.838 -6.604 4.130 1.00 0.00 C ATOM 0 H LEU A 62 13.816 -7.533 6.660 1.00 0.00 H new ATOM 0 HA LEU A 62 15.503 -5.325 6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.399 -6.399 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.568 -5.171 4.036 1.00 0.00 H new ATOM 0 HG LEU A 62 15.374 -7.931 4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.691 -8.496 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.986 -8.152 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.980 -6.928 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.507 -7.405 3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.874 -5.794 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.153 -6.230 5.104 1.00 0.00 H new ATOM 860 N GLN A 63 12.350 -4.311 6.659 1.00 0.00 N ATOM 861 CA GLN A 63 11.559 -3.083 6.997 1.00 0.00 C ATOM 862 C GLN A 63 12.070 -2.262 8.237 1.00 0.00 C ATOM 863 O GLN A 63 11.949 -1.031 8.251 1.00 0.00 O ATOM 864 CB GLN A 63 10.065 -3.472 7.222 1.00 0.00 C ATOM 865 CG GLN A 63 9.275 -4.118 6.050 1.00 0.00 C ATOM 866 CD GLN A 63 8.803 -3.185 4.929 1.00 0.00 C ATOM 867 OE1 GLN A 63 9.125 -2.007 4.842 1.00 0.00 O ATOM 868 NE2 GLN A 63 8.013 -3.682 4.014 1.00 0.00 N ATOM 0 H GLN A 63 11.818 -5.179 6.726 1.00 0.00 H new ATOM 0 HA GLN A 63 11.686 -2.421 6.140 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.027 -4.162 8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.531 -2.571 7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.901 -4.891 5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.400 -4.617 6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.729 -4.660 4.062 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.681 -3.091 3.252 1.00 0.00 H new ATOM 877 N GLU A 64 12.629 -2.936 9.260 1.00 0.00 N ATOM 878 CA GLU A 64 13.384 -2.301 10.367 1.00 0.00 C ATOM 879 C GLU A 64 14.850 -1.938 9.940 1.00 0.00 C ATOM 880 O GLU A 64 15.254 -0.790 10.118 1.00 0.00 O ATOM 881 CB GLU A 64 13.324 -3.290 11.568 1.00 0.00 C ATOM 882 CG GLU A 64 11.916 -3.589 12.156 1.00 0.00 C ATOM 883 CD GLU A 64 11.867 -4.861 12.998 1.00 0.00 C ATOM 884 OE1 GLU A 64 11.660 -5.980 12.237 1.00 0.00 O ATOM 885 OE2 GLU A 64 12.003 -4.866 14.218 1.00 0.00 O ATOM 0 H GLU A 64 12.570 -3.951 9.346 1.00 0.00 H new ATOM 0 HA GLU A 64 12.941 -1.346 10.651 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.769 -4.234 11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.949 -2.893 12.368 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.600 -2.745 12.768 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.200 -3.676 11.339 1.00 0.00 H new ATOM 892 N PHE A 65 15.628 -2.876 9.355 1.00 0.00 N ATOM 893 CA PHE A 65 17.029 -2.638 8.890 1.00 0.00 C ATOM 894 C PHE A 65 17.217 -1.589 7.760 1.00 0.00 C ATOM 895 O PHE A 65 18.173 -0.822 7.827 1.00 0.00 O ATOM 896 CB PHE A 65 17.605 -4.019 8.492 1.00 0.00 C ATOM 897 CG PHE A 65 19.070 -4.101 8.020 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.123 -3.986 8.933 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.351 -4.458 6.695 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.426 -4.277 8.542 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.653 -4.770 6.316 1.00 0.00 C ATOM 902 CZ PHE A 65 21.684 -4.714 7.249 1.00 0.00 C ATOM 0 H PHE A 65 15.307 -3.829 9.187 1.00 0.00 H new ATOM 0 HA PHE A 65 17.573 -2.178 9.715 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.496 -4.682 9.350 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.978 -4.422 7.696 1.00 0.00 H new ATOM 0 HD1 PHE A 65 19.924 -3.670 9.946 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.555 -4.491 5.966 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.238 -4.163 9.245 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.864 -5.056 5.296 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.684 -5.010 6.968 1.00 0.00 H new ATOM 912 N LEU A 66 16.348 -1.510 6.742 1.00 0.00 N ATOM 913 CA LEU A 66 16.415 -0.405 5.740 1.00 0.00 C ATOM 914 C LEU A 66 16.144 1.049 6.259 1.00 0.00 C ATOM 915 O LEU A 66 16.657 1.998 5.666 1.00 0.00 O ATOM 916 CB LEU A 66 15.570 -0.826 4.506 1.00 0.00 C ATOM 917 CG LEU A 66 16.140 -2.023 3.684 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.238 -2.324 2.479 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.593 -1.811 3.208 1.00 0.00 C ATOM 0 H LEU A 66 15.597 -2.181 6.581 1.00 0.00 H new ATOM 0 HA LEU A 66 17.461 -0.291 5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.567 -1.084 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.471 0.034 3.844 1.00 0.00 H new ATOM 0 HG LEU A 66 16.154 -2.874 4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.650 -3.162 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.237 -2.579 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.185 -1.446 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.922 -2.684 2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.642 -0.927 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.242 -1.672 4.072 1.00 0.00 H new ATOM 931 N THR A 67 15.429 1.224 7.381 1.00 0.00 N ATOM 932 CA THR A 67 15.414 2.496 8.177 1.00 0.00 C ATOM 933 C THR A 67 16.513 2.619 9.291 1.00 0.00 C ATOM 934 O THR A 67 16.926 3.735 9.605 1.00 0.00 O ATOM 935 CB THR A 67 13.962 2.665 8.702 1.00 0.00 C ATOM 936 OG1 THR A 67 13.112 2.861 7.588 1.00 0.00 O ATOM 937 CG2 THR A 67 13.661 3.869 9.595 1.00 0.00 C ATOM 0 H THR A 67 14.837 0.494 7.777 1.00 0.00 H new ATOM 0 HA THR A 67 15.696 3.325 7.528 1.00 0.00 H new ATOM 0 HB THR A 67 13.811 1.765 9.298 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.553 3.449 6.940 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.610 3.854 9.883 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.283 3.824 10.489 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.875 4.789 9.050 1.00 0.00 H new ATOM 945 N ASN A 68 16.980 1.512 9.892 1.00 0.00 N ATOM 946 CA ASN A 68 17.983 1.493 10.982 1.00 0.00 C ATOM 947 C ASN A 68 19.116 0.436 10.664 1.00 0.00 C ATOM 948 O ASN A 68 19.197 -0.574 11.377 1.00 0.00 O ATOM 949 CB ASN A 68 17.142 1.205 12.270 1.00 0.00 C ATOM 950 CG ASN A 68 16.674 2.458 13.015 1.00 0.00 C ATOM 951 OD1 ASN A 68 17.457 3.175 13.626 1.00 0.00 O ATOM 952 ND2 ASN A 68 15.399 2.758 13.008 1.00 0.00 N ATOM 0 H ASN A 68 16.665 0.578 9.630 1.00 0.00 H new ATOM 0 HA ASN A 68 18.536 2.424 11.108 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.269 0.614 11.994 1.00 0.00 H new ATOM 0 HB3 ASN A 68 17.738 0.595 12.949 1.00 0.00 H new ATOM 0 HD21 ASN A 68 15.066 3.582 13.508 1.00 0.00 H new ATOM 0 HD22 ASN A 68 14.739 2.167 12.502 1.00 0.00 H new ATOM 959 N PRO A 69 20.043 0.608 9.659 1.00 0.00 N ATOM 960 CA PRO A 69 21.087 -0.407 9.330 1.00 0.00 C ATOM 961 C PRO A 69 22.106 -0.720 10.456 1.00 0.00 C ATOM 962 O PRO A 69 22.242 -1.871 10.876 1.00 0.00 O ATOM 963 CB PRO A 69 21.758 0.128 8.043 1.00 0.00 C ATOM 964 CG PRO A 69 20.772 1.123 7.444 1.00 0.00 C ATOM 965 CD PRO A 69 19.942 1.641 8.613 1.00 0.00 C ATOM 0 HA PRO A 69 20.623 -1.384 9.194 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.710 0.609 8.269 1.00 0.00 H new ATOM 0 HB3 PRO A 69 21.968 -0.683 7.345 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.295 1.938 6.944 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.139 0.644 6.697 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.322 2.598 8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 69 18.905 1.800 8.318 1.00 0.00 H new ATOM 973 N LYS A 70 22.752 0.336 10.977 1.00 0.00 N ATOM 974 CA LYS A 70 23.598 0.256 12.204 1.00 0.00 C ATOM 975 C LYS A 70 22.834 0.373 13.577 1.00 0.00 C ATOM 976 O LYS A 70 23.387 0.826 14.582 1.00 0.00 O ATOM 977 CB LYS A 70 24.775 1.248 12.001 1.00 0.00 C ATOM 978 CG LYS A 70 24.375 2.739 11.975 1.00 0.00 C ATOM 979 CD LYS A 70 25.493 3.708 11.539 1.00 0.00 C ATOM 980 CE LYS A 70 25.774 3.673 10.023 1.00 0.00 C ATOM 981 NZ LYS A 70 26.804 4.666 9.666 1.00 0.00 N ATOM 0 H LYS A 70 22.710 1.270 10.570 1.00 0.00 H new ATOM 0 HA LYS A 70 23.986 -0.757 12.312 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.500 1.096 12.800 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.277 1.006 11.064 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.527 2.860 11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 70 24.035 3.025 12.970 1.00 0.00 H new ATOM 0 HD2 LYS A 70 25.218 4.723 11.827 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.408 3.461 12.077 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.105 2.676 9.731 1.00 0.00 H new ATOM 0 HE3 LYS A 70 24.856 3.878 9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 26.981 4.629 8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 26.474 5.617 9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.684 4.453 10.178 1.00 0.00 H new ATOM 994 N ALA A 71 21.585 -0.111 13.617 1.00 0.00 N ATOM 995 CA ALA A 71 20.741 -0.218 14.832 1.00 0.00 C ATOM 996 C ALA A 71 20.019 -1.608 14.930 1.00 0.00 C ATOM 997 O ALA A 71 20.015 -2.188 16.018 1.00 0.00 O ATOM 998 CB ALA A 71 19.810 1.010 14.847 1.00 0.00 C ATOM 0 H ALA A 71 21.112 -0.452 12.780 1.00 0.00 H new ATOM 0 HA ALA A 71 21.343 -0.198 15.740 1.00 0.00 H new ATOM 0 HB1 ALA A 71 19.170 0.970 15.728 1.00 0.00 H new ATOM 0 HB2 ALA A 71 20.409 1.920 14.874 1.00 0.00 H new ATOM 0 HB3 ALA A 71 19.192 1.009 13.949 1.00 0.00 H new ATOM 1004 N VAL A 72 19.485 -2.197 13.830 1.00 0.00 N ATOM 1005 CA VAL A 72 19.201 -3.669 13.758 1.00 0.00 C ATOM 1006 C VAL A 72 20.531 -4.518 13.766 1.00 0.00 C ATOM 1007 O VAL A 72 20.661 -5.409 14.609 1.00 0.00 O ATOM 1008 CB VAL A 72 18.229 -3.992 12.562 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.053 -5.502 12.269 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.801 -3.416 12.715 1.00 0.00 C ATOM 0 H VAL A 72 19.241 -1.686 12.982 1.00 0.00 H new ATOM 0 HA VAL A 72 18.671 -3.973 14.661 1.00 0.00 H new ATOM 0 HB VAL A 72 18.746 -3.501 11.737 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.368 -5.633 11.431 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.020 -5.939 12.019 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.647 -5.999 13.150 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.204 -3.689 11.845 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.339 -3.823 13.614 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.853 -2.330 12.793 1.00 0.00 H new ATOM 1020 N VAL A 73 21.505 -4.250 12.869 1.00 0.00 N ATOM 1021 CA VAL A 73 22.890 -4.813 12.999 1.00 0.00 C ATOM 1022 C VAL A 73 23.814 -3.641 13.471 1.00 0.00 C ATOM 1023 O VAL A 73 24.462 -2.984 12.651 1.00 0.00 O ATOM 1024 CB VAL A 73 23.414 -5.469 11.674 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.833 -6.074 11.808 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.521 -6.586 11.099 1.00 0.00 C ATOM 0 H VAL A 73 21.372 -3.655 12.051 1.00 0.00 H new ATOM 0 HA VAL A 73 22.888 -5.626 13.725 1.00 0.00 H new ATOM 0 HB VAL A 73 23.410 -4.618 10.993 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.134 -6.511 10.856 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.538 -5.291 12.086 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.828 -6.847 12.576 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.969 -6.975 10.184 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.429 -7.390 11.829 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.533 -6.184 10.877 1.00 0.00 H new ATOM 1036 N LYS A 74 23.908 -3.384 14.787 1.00 0.00 N ATOM 1037 CA LYS A 74 24.779 -2.301 15.332 1.00 0.00 C ATOM 1038 C LYS A 74 26.295 -2.687 15.205 1.00 0.00 C ATOM 1039 O LYS A 74 26.790 -3.599 15.874 1.00 0.00 O ATOM 1040 CB LYS A 74 24.292 -2.018 16.776 1.00 0.00 C ATOM 1041 CG LYS A 74 24.893 -0.749 17.420 1.00 0.00 C ATOM 1042 CD LYS A 74 24.260 -0.444 18.791 1.00 0.00 C ATOM 1043 CE LYS A 74 24.869 0.808 19.440 1.00 0.00 C ATOM 1044 NZ LYS A 74 24.234 1.064 20.746 1.00 0.00 N ATOM 0 H LYS A 74 23.397 -3.904 15.500 1.00 0.00 H new ATOM 0 HA LYS A 74 24.699 -1.375 14.762 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.206 -1.926 16.768 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.534 -2.877 17.402 1.00 0.00 H new ATOM 0 HG2 LYS A 74 25.969 -0.877 17.538 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.744 0.101 16.754 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.186 -0.304 18.671 1.00 0.00 H new ATOM 0 HD3 LYS A 74 24.398 -1.299 19.453 1.00 0.00 H new ATOM 0 HE2 LYS A 74 25.943 0.674 19.570 1.00 0.00 H new ATOM 0 HE3 LYS A 74 24.732 1.669 18.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.654 1.913 21.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.213 1.212 20.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 24.387 0.248 21.372 1.00 0.00 H new ATOM 1057 N GLY A 75 26.990 -2.030 14.261 1.00 0.00 N ATOM 1058 CA GLY A 75 28.273 -2.542 13.697 1.00 0.00 C ATOM 1059 C GLY A 75 28.218 -3.285 12.332 1.00 0.00 C ATOM 1060 O GLY A 75 29.049 -4.163 12.081 1.00 0.00 O ATOM 0 H GLY A 75 26.692 -1.139 13.864 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.954 -1.697 13.592 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.715 -3.218 14.429 1.00 0.00 H new ATOM 1064 N THR A 76 27.317 -2.904 11.412 1.00 0.00 N ATOM 1065 CA THR A 76 27.399 -3.268 9.974 1.00 0.00 C ATOM 1066 C THR A 76 28.482 -2.410 9.242 1.00 0.00 C ATOM 1067 O THR A 76 28.600 -1.200 9.460 1.00 0.00 O ATOM 1068 CB THR A 76 25.978 -3.147 9.335 1.00 0.00 C ATOM 1069 OG1 THR A 76 25.993 -3.639 8.004 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.339 -1.752 9.252 1.00 0.00 C ATOM 0 H THR A 76 26.504 -2.331 11.639 1.00 0.00 H new ATOM 0 HA THR A 76 27.722 -4.303 9.866 1.00 0.00 H new ATOM 0 HB THR A 76 25.374 -3.726 10.033 1.00 0.00 H new ATOM 0 HG1 THR A 76 25.097 -3.559 7.616 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.357 -1.829 8.786 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.233 -1.340 10.256 1.00 0.00 H new ATOM 0 HG23 THR A 76 25.973 -1.096 8.656 1.00 0.00 H new ATOM 1078 N LYS A 77 29.207 -3.013 8.288 1.00 0.00 N ATOM 1079 CA LYS A 77 29.999 -2.263 7.273 1.00 0.00 C ATOM 1080 C LYS A 77 29.193 -1.351 6.260 1.00 0.00 C ATOM 1081 O LYS A 77 29.800 -0.694 5.411 1.00 0.00 O ATOM 1082 CB LYS A 77 30.810 -3.380 6.546 1.00 0.00 C ATOM 1083 CG LYS A 77 32.189 -2.968 6.008 1.00 0.00 C ATOM 1084 CD LYS A 77 33.320 -2.905 7.060 1.00 0.00 C ATOM 1085 CE LYS A 77 33.807 -4.286 7.540 1.00 0.00 C ATOM 1086 NZ LYS A 77 34.898 -4.130 8.520 1.00 0.00 N ATOM 0 H LYS A 77 29.268 -4.026 8.189 1.00 0.00 H new ATOM 0 HA LYS A 77 30.609 -1.509 7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.945 -4.212 7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 77 30.213 -3.751 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 77 32.481 -3.671 5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 77 32.099 -1.989 5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 77 34.164 -2.360 6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 77 32.970 -2.335 7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 77 32.980 -4.835 7.990 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.154 -4.873 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.218 -5.068 8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.692 -3.624 8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 34.555 -3.588 9.338 1.00 0.00 H new ATOM 1099 N MET A 78 27.844 -1.303 6.341 1.00 0.00 N ATOM 1100 CA MET A 78 26.981 -0.525 5.421 1.00 0.00 C ATOM 1101 C MET A 78 26.920 0.970 5.858 1.00 0.00 C ATOM 1102 O MET A 78 26.216 1.325 6.810 1.00 0.00 O ATOM 1103 CB MET A 78 25.599 -1.247 5.350 1.00 0.00 C ATOM 1104 CG MET A 78 24.534 -0.541 4.481 1.00 0.00 C ATOM 1105 SD MET A 78 23.408 -1.675 3.555 1.00 0.00 S ATOM 1106 CE MET A 78 21.859 -0.749 3.931 1.00 0.00 C ATOM 0 H MET A 78 27.318 -1.808 7.054 1.00 0.00 H new ATOM 0 HA MET A 78 27.386 -0.491 4.409 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.752 -2.254 4.962 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.209 -1.351 6.362 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.931 0.102 5.122 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.041 0.107 3.766 1.00 0.00 H new ATOM 0 HE1 MET A 78 21.012 -1.253 3.466 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.711 -0.711 5.010 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.937 0.265 3.539 1.00 0.00 H new ATOM 1116 N ALA A 79 27.626 1.851 5.120 1.00 0.00 N ATOM 1117 CA ALA A 79 27.556 3.321 5.344 1.00 0.00 C ATOM 1118 C ALA A 79 26.271 3.970 4.724 1.00 0.00 C ATOM 1119 O ALA A 79 26.300 4.693 3.724 1.00 0.00 O ATOM 1120 CB ALA A 79 28.886 3.905 4.828 1.00 0.00 C ATOM 0 H ALA A 79 28.252 1.576 4.363 1.00 0.00 H new ATOM 0 HA ALA A 79 27.448 3.555 6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.888 4.986 4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.716 3.465 5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.996 3.677 3.768 1.00 0.00 H new ATOM 1126 N PHE A 80 25.130 3.678 5.365 1.00 0.00 N ATOM 1127 CA PHE A 80 23.786 4.136 4.943 1.00 0.00 C ATOM 1128 C PHE A 80 22.999 4.555 6.224 1.00 0.00 C ATOM 1129 O PHE A 80 22.924 3.805 7.204 1.00 0.00 O ATOM 1130 CB PHE A 80 23.110 2.984 4.147 1.00 0.00 C ATOM 1131 CG PHE A 80 21.786 3.352 3.463 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.785 4.121 2.294 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.568 2.920 3.999 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.583 4.455 1.674 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.368 3.261 3.386 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.379 4.028 2.226 1.00 0.00 C ATOM 0 H PHE A 80 25.109 3.106 6.209 1.00 0.00 H new ATOM 0 HA PHE A 80 23.821 5.004 4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.807 2.631 3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.930 2.151 4.827 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.720 4.457 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.560 2.317 4.895 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.586 5.043 0.768 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.431 2.932 3.809 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.447 4.294 1.750 1.00 0.00 H new ATOM 1146 N ALA A 81 22.397 5.755 6.213 1.00 0.00 N ATOM 1147 CA ALA A 81 21.646 6.280 7.386 1.00 0.00 C ATOM 1148 C ALA A 81 20.234 5.658 7.625 1.00 0.00 C ATOM 1149 O ALA A 81 19.897 5.346 8.770 1.00 0.00 O ATOM 1150 CB ALA A 81 21.600 7.814 7.237 1.00 0.00 C ATOM 0 H ALA A 81 22.410 6.386 5.411 1.00 0.00 H new ATOM 0 HA ALA A 81 22.177 5.979 8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.057 8.245 8.078 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.616 8.209 7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.095 8.074 6.307 1.00 0.00 H new ATOM 1156 N GLY A 82 19.421 5.495 6.567 1.00 0.00 N ATOM 1157 CA GLY A 82 18.034 4.989 6.705 1.00 0.00 C ATOM 1158 C GLY A 82 17.015 5.561 5.697 1.00 0.00 C ATOM 1159 O GLY A 82 16.948 6.770 5.461 1.00 0.00 O ATOM 0 H GLY A 82 19.695 5.704 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.050 3.904 6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.684 5.209 7.714 1.00 0.00 H new ATOM 1163 N LEU A 83 16.143 4.686 5.179 1.00 0.00 N ATOM 1164 CA LEU A 83 14.923 5.094 4.430 1.00 0.00 C ATOM 1165 C LEU A 83 13.771 5.617 5.366 1.00 0.00 C ATOM 1166 O LEU A 83 13.501 4.966 6.382 1.00 0.00 O ATOM 1167 CB LEU A 83 14.433 3.892 3.569 1.00 0.00 C ATOM 1168 CG LEU A 83 15.183 3.694 2.229 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.809 2.360 1.575 1.00 0.00 C ATOM 1170 CD2 LEU A 83 14.843 4.808 1.229 1.00 0.00 C ATOM 0 H LEU A 83 16.253 3.675 5.261 1.00 0.00 H new ATOM 0 HA LEU A 83 15.190 5.934 3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.528 2.980 4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.372 4.026 3.357 1.00 0.00 H new ATOM 0 HG LEU A 83 16.246 3.713 2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.352 2.250 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.072 1.541 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.737 2.339 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.386 4.640 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.771 4.804 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.130 5.773 1.647 1.00 0.00 H new ATOM 1182 N PRO A 84 13.046 6.741 5.081 1.00 0.00 N ATOM 1183 CA PRO A 84 12.062 7.319 6.040 1.00 0.00 C ATOM 1184 C PRO A 84 10.647 6.653 6.049 1.00 0.00 C ATOM 1185 O PRO A 84 10.204 6.182 7.100 1.00 0.00 O ATOM 1186 CB PRO A 84 12.087 8.809 5.636 1.00 0.00 C ATOM 1187 CG PRO A 84 12.393 8.824 4.134 1.00 0.00 C ATOM 1188 CD PRO A 84 13.309 7.617 3.919 1.00 0.00 C ATOM 0 HA PRO A 84 12.327 7.143 7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.131 9.288 5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.847 9.354 6.196 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.481 8.741 3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.882 9.752 3.838 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.084 7.110 2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.356 7.916 3.876 1.00 0.00 H new ATOM 1196 N LYS A 85 9.934 6.613 4.907 1.00 0.00 N ATOM 1197 CA LYS A 85 8.538 6.109 4.841 1.00 0.00 C ATOM 1198 C LYS A 85 8.484 4.558 4.713 1.00 0.00 C ATOM 1199 O LYS A 85 9.295 3.932 4.020 1.00 0.00 O ATOM 1200 CB LYS A 85 7.799 6.747 3.635 1.00 0.00 C ATOM 1201 CG LYS A 85 7.686 8.290 3.559 1.00 0.00 C ATOM 1202 CD LYS A 85 6.825 8.916 4.675 1.00 0.00 C ATOM 1203 CE LYS A 85 6.694 10.438 4.512 1.00 0.00 C ATOM 1204 NZ LYS A 85 5.877 11.002 5.603 1.00 0.00 N ATOM 0 H LYS A 85 10.301 6.925 4.008 1.00 0.00 H new ATOM 0 HA LYS A 85 8.048 6.390 5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.296 6.408 2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.788 6.341 3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.687 8.719 3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.264 8.565 2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.834 8.463 4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.269 8.692 5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.683 10.897 4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.237 10.669 3.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.797 12.032 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.929 10.576 5.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.329 10.797 6.517 1.00 0.00 H new ATOM 1217 N ILE A 86 7.468 3.942 5.338 1.00 0.00 N ATOM 1218 CA ILE A 86 7.160 2.486 5.154 1.00 0.00 C ATOM 1219 C ILE A 86 6.853 2.059 3.677 1.00 0.00 C ATOM 1220 O ILE A 86 7.306 0.994 3.255 1.00 0.00 O ATOM 1221 CB ILE A 86 6.092 2.017 6.209 1.00 0.00 C ATOM 1222 CG1 ILE A 86 5.970 0.472 6.355 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.671 2.599 5.980 1.00 0.00 C ATOM 1224 CD1 ILE A 86 7.217 -0.235 6.913 1.00 0.00 C ATOM 0 H ILE A 86 6.835 4.418 5.980 1.00 0.00 H new ATOM 0 HA ILE A 86 8.079 1.936 5.358 1.00 0.00 H new ATOM 0 HB ILE A 86 6.494 2.426 7.136 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.125 0.251 7.007 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.739 0.048 5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.996 2.226 6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.711 3.687 6.029 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.306 2.293 4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.030 -1.307 6.976 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.065 -0.053 6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.441 0.153 7.907 1.00 0.00 H new ATOM 1236 N GLU A 87 6.176 2.916 2.884 1.00 0.00 N ATOM 1237 CA GLU A 87 6.041 2.714 1.415 1.00 0.00 C ATOM 1238 C GLU A 87 7.356 2.757 0.575 1.00 0.00 C ATOM 1239 O GLU A 87 7.418 2.080 -0.451 1.00 0.00 O ATOM 1240 CB GLU A 87 4.919 3.636 0.856 1.00 0.00 C ATOM 1241 CG GLU A 87 5.054 5.184 0.936 1.00 0.00 C ATOM 1242 CD GLU A 87 6.071 5.841 0.003 1.00 0.00 C ATOM 1243 OE1 GLU A 87 5.709 5.734 -1.309 1.00 0.00 O ATOM 1244 OE2 GLU A 87 7.087 6.405 0.399 1.00 0.00 O ATOM 0 H GLU A 87 5.712 3.756 3.231 1.00 0.00 H new ATOM 0 HA GLU A 87 5.748 1.671 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.786 3.379 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.996 3.367 1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.076 5.620 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.314 5.449 1.961 1.00 0.00 H new ATOM 1251 N ASP A 88 8.400 3.507 0.988 1.00 0.00 N ATOM 1252 CA ASP A 88 9.669 3.598 0.205 1.00 0.00 C ATOM 1253 C ASP A 88 10.525 2.289 0.285 1.00 0.00 C ATOM 1254 O ASP A 88 10.879 1.719 -0.752 1.00 0.00 O ATOM 1255 CB ASP A 88 10.424 4.903 0.600 1.00 0.00 C ATOM 1256 CG ASP A 88 11.112 5.617 -0.563 1.00 0.00 C ATOM 1257 OD1 ASP A 88 10.216 6.152 -1.437 1.00 0.00 O ATOM 1258 OD2 ASP A 88 12.327 5.722 -0.692 1.00 0.00 O ATOM 0 H ASP A 88 8.399 4.056 1.848 1.00 0.00 H new ATOM 0 HA ASP A 88 9.436 3.674 -0.857 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.716 5.590 1.064 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.173 4.660 1.354 1.00 0.00 H new ATOM 1263 N ARG A 89 10.774 1.771 1.504 1.00 0.00 N ATOM 1264 CA ARG A 89 11.294 0.392 1.701 1.00 0.00 C ATOM 1265 C ARG A 89 10.347 -0.797 1.303 1.00 0.00 C ATOM 1266 O ARG A 89 10.855 -1.750 0.713 1.00 0.00 O ATOM 1267 CB ARG A 89 11.949 0.285 3.099 1.00 0.00 C ATOM 1268 CG ARG A 89 11.034 0.382 4.346 1.00 0.00 C ATOM 1269 CD ARG A 89 11.404 1.508 5.329 1.00 0.00 C ATOM 1270 NE ARG A 89 10.934 1.136 6.698 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.357 1.930 7.591 1.00 0.00 C ATOM 1272 NH1 ARG A 89 9.976 3.152 7.347 1.00 0.00 N ATOM 1273 NH2 ARG A 89 10.200 1.461 8.794 1.00 0.00 N ATOM 0 H ARG A 89 10.625 2.284 2.373 1.00 0.00 H new ATOM 0 HA ARG A 89 12.066 0.244 0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.477 -0.667 3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.701 1.071 3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 89 10.006 0.530 4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.064 -0.570 4.877 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.483 1.666 5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.946 2.446 5.016 1.00 0.00 H new ATOM 0 HE ARG A 89 11.072 0.165 6.977 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.116 3.554 6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.538 3.706 8.083 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.516 0.518 9.019 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.761 2.037 9.513 1.00 0.00 H new ATOM 1287 N ALA A 90 9.011 -0.767 1.526 1.00 0.00 N ATOM 1288 CA ALA A 90 8.069 -1.771 0.941 1.00 0.00 C ATOM 1289 C ALA A 90 8.023 -1.896 -0.619 1.00 0.00 C ATOM 1290 O ALA A 90 8.073 -3.016 -1.138 1.00 0.00 O ATOM 1291 CB ALA A 90 6.673 -1.516 1.538 1.00 0.00 C ATOM 0 H ALA A 90 8.555 -0.062 2.105 1.00 0.00 H new ATOM 0 HA ALA A 90 8.464 -2.747 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.965 -2.236 1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.715 -1.626 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.349 -0.506 1.288 1.00 0.00 H new ATOM 1297 N ASN A 91 7.997 -0.773 -1.363 1.00 0.00 N ATOM 1298 CA ASN A 91 8.202 -0.764 -2.845 1.00 0.00 C ATOM 1299 C ASN A 91 9.568 -1.381 -3.314 1.00 0.00 C ATOM 1300 O ASN A 91 9.588 -2.253 -4.187 1.00 0.00 O ATOM 1301 CB ASN A 91 8.019 0.687 -3.376 1.00 0.00 C ATOM 1302 CG ASN A 91 6.600 1.275 -3.348 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.583 0.594 -3.278 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.478 2.576 -3.450 1.00 0.00 N ATOM 0 H ASN A 91 7.835 0.153 -0.967 1.00 0.00 H new ATOM 0 HA ASN A 91 7.446 -1.420 -3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.667 1.343 -2.795 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.376 0.717 -4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.551 3.001 -3.470 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.310 3.163 -3.510 1.00 0.00 H new ATOM 1311 N LEU A 92 10.694 -0.972 -2.696 1.00 0.00 N ATOM 1312 CA LEU A 92 12.006 -1.673 -2.811 1.00 0.00 C ATOM 1313 C LEU A 92 12.024 -3.202 -2.446 1.00 0.00 C ATOM 1314 O LEU A 92 12.600 -3.987 -3.197 1.00 0.00 O ATOM 1315 CB LEU A 92 12.998 -0.814 -1.982 1.00 0.00 C ATOM 1316 CG LEU A 92 14.455 -1.314 -1.846 1.00 0.00 C ATOM 1317 CD1 LEU A 92 15.194 -1.412 -3.189 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.224 -0.383 -0.904 1.00 0.00 C ATOM 0 H LEU A 92 10.728 -0.145 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 92 12.291 -1.736 -3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.027 0.182 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.587 -0.706 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 92 14.407 -2.325 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.210 -1.769 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.669 -2.108 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.228 -0.429 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.252 -0.733 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.222 0.628 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.746 -0.381 0.076 1.00 0.00 H new ATOM 1330 N ILE A 93 11.401 -3.640 -1.339 1.00 0.00 N ATOM 1331 CA ILE A 93 11.243 -5.091 -0.986 1.00 0.00 C ATOM 1332 C ILE A 93 10.388 -5.897 -2.034 1.00 0.00 C ATOM 1333 O ILE A 93 10.815 -6.981 -2.440 1.00 0.00 O ATOM 1334 CB ILE A 93 10.797 -5.186 0.522 1.00 0.00 C ATOM 1335 CG1 ILE A 93 11.955 -4.793 1.496 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.237 -6.567 0.949 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.511 -4.354 2.901 1.00 0.00 C ATOM 0 H ILE A 93 10.987 -3.010 -0.652 1.00 0.00 H new ATOM 0 HA ILE A 93 12.197 -5.613 -1.061 1.00 0.00 H new ATOM 0 HB ILE A 93 9.978 -4.470 0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.629 -5.644 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.528 -3.983 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.957 -6.536 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.360 -6.806 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.000 -7.331 0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.388 -4.103 3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.864 -3.480 2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.966 -5.167 3.381 1.00 0.00 H new ATOM 1349 N ALA A 94 9.249 -5.365 -2.523 1.00 0.00 N ATOM 1350 CA ALA A 94 8.555 -5.899 -3.733 1.00 0.00 C ATOM 1351 C ALA A 94 9.405 -5.991 -5.050 1.00 0.00 C ATOM 1352 O ALA A 94 9.412 -7.039 -5.703 1.00 0.00 O ATOM 1353 CB ALA A 94 7.285 -5.049 -3.916 1.00 0.00 C ATOM 0 H ALA A 94 8.782 -4.562 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 94 8.332 -6.950 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.737 -5.398 -4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.654 -5.142 -3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.563 -4.004 -4.055 1.00 0.00 H new ATOM 1359 N TYR A 95 10.169 -4.935 -5.399 1.00 0.00 N ATOM 1360 CA TYR A 95 11.287 -5.011 -6.386 1.00 0.00 C ATOM 1361 C TYR A 95 12.348 -6.134 -6.109 1.00 0.00 C ATOM 1362 O TYR A 95 12.585 -6.945 -6.997 1.00 0.00 O ATOM 1363 CB TYR A 95 11.870 -3.572 -6.484 1.00 0.00 C ATOM 1364 CG TYR A 95 13.102 -3.407 -7.378 1.00 0.00 C ATOM 1365 CD1 TYR A 95 12.959 -3.240 -8.755 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.383 -3.489 -6.822 1.00 0.00 C ATOM 1367 CE1 TYR A 95 14.084 -3.143 -9.565 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.504 -3.424 -7.642 1.00 0.00 C ATOM 1369 CZ TYR A 95 15.357 -3.242 -9.011 1.00 0.00 C ATOM 1370 OH TYR A 95 16.459 -3.207 -9.824 1.00 0.00 O ATOM 0 H TYR A 95 10.035 -4.002 -5.009 1.00 0.00 H new ATOM 0 HA TYR A 95 10.909 -5.337 -7.355 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.087 -2.908 -6.852 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.127 -3.236 -5.479 1.00 0.00 H new ATOM 0 HD1 TYR A 95 11.973 -3.186 -9.192 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.501 -3.603 -5.755 1.00 0.00 H new ATOM 0 HE1 TYR A 95 13.970 -2.990 -10.628 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.491 -3.515 -7.213 1.00 0.00 H new ATOM 0 HH TYR A 95 17.189 -2.740 -9.366 1.00 0.00 H new ATOM 1380 N LEU A 96 12.966 -6.209 -4.919 1.00 0.00 N ATOM 1381 CA LEU A 96 13.960 -7.276 -4.576 1.00 0.00 C ATOM 1382 C LEU A 96 13.421 -8.753 -4.529 1.00 0.00 C ATOM 1383 O LEU A 96 14.186 -9.688 -4.781 1.00 0.00 O ATOM 1384 CB LEU A 96 14.651 -6.877 -3.240 1.00 0.00 C ATOM 1385 CG LEU A 96 15.511 -5.581 -3.244 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.820 -5.138 -1.806 1.00 0.00 C ATOM 1387 CD2 LEU A 96 16.809 -5.738 -4.053 1.00 0.00 C ATOM 0 H LEU A 96 12.802 -5.544 -4.163 1.00 0.00 H new ATOM 0 HA LEU A 96 14.667 -7.313 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.878 -6.767 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.289 -7.705 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 96 14.922 -4.808 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.422 -4.230 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.887 -4.943 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.370 -5.927 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 96 17.371 -4.805 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.411 -6.539 -3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 96 16.566 -5.982 -5.087 1.00 0.00 H new ATOM 1399 N GLU A 97 12.120 -8.963 -4.252 1.00 0.00 N ATOM 1400 CA GLU A 97 11.409 -10.240 -4.553 1.00 0.00 C ATOM 1401 C GLU A 97 11.254 -10.556 -6.083 1.00 0.00 C ATOM 1402 O GLU A 97 11.619 -11.655 -6.504 1.00 0.00 O ATOM 1403 CB GLU A 97 10.028 -10.234 -3.832 1.00 0.00 C ATOM 1404 CG GLU A 97 10.091 -10.349 -2.289 1.00 0.00 C ATOM 1405 CD GLU A 97 8.750 -10.190 -1.579 1.00 0.00 C ATOM 1406 OE1 GLU A 97 7.961 -11.295 -1.719 1.00 0.00 O ATOM 1407 OE2 GLU A 97 8.437 -9.187 -0.943 1.00 0.00 O ATOM 0 H GLU A 97 11.525 -8.260 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 97 12.034 -11.048 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.505 -9.314 -4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.431 -11.060 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.511 -11.320 -2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.778 -9.593 -1.910 1.00 0.00 H new