USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 600 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 51 LYS NZ :NH3+ 175:sc= -0.515 (180deg=-0.245) USER MOD Set 1.2: A 52 SER OG : rot -89:sc= 0.511 USER MOD Set 1.3: A 72 ASN :FLIP amide:sc= -0.475 F(o=-3.6!,f=-0.48) USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 54 ASN :FLIP amide:sc= -1.74! C(o=-5.3!,f=-4.8!) USER MOD Set 2.3: A 69 CYS SG : rot 180:sc= -3.02! USER MOD Set 3.1: A 8 SER OG : rot 180:sc= 0.393 USER MOD Set 3.2: A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -161:sc= -0.0839 (180deg=-0.449) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 136:sc= -0.425 (180deg=-2.62!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.012 F(o=-1,f=-0.012) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 68:sc= -1.68! USER MOD Single : A 26 ASN :FLIP amide:sc= -0.473 F(o=-1.5,f=-0.47) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.2 (180deg=1.16) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= 1.24 (180deg=0.907) USER MOD Single : A 39 ASN : amide:sc= 1.17 K(o=1.2,f=-0.021) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0151 USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0564) USER MOD Single : A 59 ASN : amide:sc= -2.36! C(o=-2.4!,f=-3.4!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.9!) USER MOD Single : A 63 THR OG1 : rot -18:sc= 0.232 USER MOD Single : A 70 THR OG1 : rot -33:sc= 1.12 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -19.952 -1.017 5.882 1.00 0.00 N ATOM 39 CA LYS A 3 -18.678 -0.330 5.772 1.00 0.00 C ATOM 40 C LYS A 3 -17.586 -1.175 6.427 1.00 0.00 C ATOM 41 O LYS A 3 -17.597 -1.380 7.639 1.00 0.00 O ATOM 42 CB LYS A 3 -18.771 1.047 6.437 1.00 0.00 C ATOM 43 CG LYS A 3 -19.862 1.937 5.855 1.00 0.00 C ATOM 44 CD LYS A 3 -19.432 2.592 4.550 1.00 0.00 C ATOM 45 CE LYS A 3 -18.383 3.673 4.782 1.00 0.00 C ATOM 46 NZ LYS A 3 -18.897 4.778 5.635 1.00 0.00 N ATOM 0 HA LYS A 3 -18.427 -0.187 4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.954 0.914 7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.811 1.553 6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -20.760 1.344 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.124 2.709 6.579 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.031 1.834 3.877 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -20.301 3.028 4.058 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -17.505 3.231 5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.061 4.077 3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -18.299 5.620 5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.874 5.003 5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.877 4.485 6.633 1.00 0.00 H new ATOM 60 N ASP A 4 -16.664 -1.674 5.616 1.00 0.00 N ATOM 61 CA ASP A 4 -15.595 -2.550 6.090 1.00 0.00 C ATOM 62 C ASP A 4 -14.255 -2.029 5.571 1.00 0.00 C ATOM 63 O ASP A 4 -14.223 -1.136 4.730 1.00 0.00 O ATOM 64 CB ASP A 4 -15.841 -3.986 5.604 1.00 0.00 C ATOM 65 CG ASP A 4 -15.127 -5.039 6.436 1.00 0.00 C ATOM 66 OD1 ASP A 4 -13.885 -5.136 6.356 1.00 0.00 O ATOM 67 OD2 ASP A 4 -15.812 -5.796 7.157 1.00 0.00 O ATOM 0 H ASP A 4 -16.633 -1.486 4.614 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.578 -2.556 7.180 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.912 -4.188 5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.515 -4.071 4.567 1.00 0.00 H new ATOM 72 N ILE A 5 -13.156 -2.586 6.045 1.00 0.00 N ATOM 73 CA ILE A 5 -11.838 -2.074 5.694 1.00 0.00 C ATOM 74 C ILE A 5 -11.313 -2.723 4.415 1.00 0.00 C ATOM 75 O ILE A 5 -11.035 -3.925 4.387 1.00 0.00 O ATOM 76 CB ILE A 5 -10.823 -2.303 6.836 1.00 0.00 C ATOM 77 CG1 ILE A 5 -11.289 -1.603 8.118 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.438 -1.813 6.432 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.419 -0.101 7.983 1.00 0.00 C ATOM 0 H ILE A 5 -13.146 -3.390 6.672 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.949 -1.002 5.529 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.763 -3.374 7.030 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.253 -2.016 8.416 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.585 -1.827 8.919 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.739 -1.984 7.250 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.103 -2.357 5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.480 -0.747 6.207 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.753 0.322 8.931 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.452 0.325 7.716 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.146 0.133 7.205 1.00 0.00 H new ATOM 91 N PHE A 6 -11.190 -1.927 3.355 1.00 0.00 N ATOM 92 CA PHE A 6 -10.598 -2.401 2.112 1.00 0.00 C ATOM 93 C PHE A 6 -9.122 -2.714 2.314 1.00 0.00 C ATOM 94 O PHE A 6 -8.318 -1.829 2.612 1.00 0.00 O ATOM 95 CB PHE A 6 -10.775 -1.362 1.002 1.00 0.00 C ATOM 96 CG PHE A 6 -9.977 -1.643 -0.244 1.00 0.00 C ATOM 97 CD1 PHE A 6 -10.167 -2.813 -0.959 1.00 0.00 C ATOM 98 CD2 PHE A 6 -9.032 -0.734 -0.692 1.00 0.00 C ATOM 99 CE1 PHE A 6 -9.432 -3.070 -2.101 1.00 0.00 C ATOM 100 CE2 PHE A 6 -8.294 -0.987 -1.832 1.00 0.00 C ATOM 101 CZ PHE A 6 -8.494 -2.157 -2.537 1.00 0.00 C ATOM 0 H PHE A 6 -11.493 -0.953 3.335 1.00 0.00 H new ATOM 0 HA PHE A 6 -11.110 -3.315 1.813 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.831 -1.306 0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.491 -0.383 1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -10.898 -3.533 -0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.871 0.182 -0.144 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -9.592 -3.985 -2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.561 -0.270 -2.171 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.917 -2.357 -3.428 1.00 0.00 H new ATOM 111 N THR A 7 -8.781 -3.979 2.170 1.00 0.00 N ATOM 112 CA THR A 7 -7.406 -4.419 2.267 1.00 0.00 C ATOM 113 C THR A 7 -7.006 -5.149 0.988 1.00 0.00 C ATOM 114 O THR A 7 -7.754 -5.995 0.490 1.00 0.00 O ATOM 115 CB THR A 7 -7.204 -5.340 3.487 1.00 0.00 C ATOM 116 OG1 THR A 7 -8.273 -6.296 3.558 1.00 0.00 O ATOM 117 CG2 THR A 7 -7.153 -4.534 4.777 1.00 0.00 C ATOM 0 H THR A 7 -9.448 -4.728 1.983 1.00 0.00 H new ATOM 0 HA THR A 7 -6.772 -3.542 2.397 1.00 0.00 H new ATOM 0 HB THR A 7 -6.254 -5.860 3.368 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.139 -6.880 4.334 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.010 -5.208 5.622 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.324 -3.827 4.732 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.088 -3.989 4.902 1.00 0.00 H new ATOM 125 N SER A 8 -5.848 -4.817 0.449 1.00 0.00 N ATOM 126 CA SER A 8 -5.392 -5.414 -0.794 1.00 0.00 C ATOM 127 C SER A 8 -3.868 -5.404 -0.843 1.00 0.00 C ATOM 128 O SER A 8 -3.215 -5.223 0.182 1.00 0.00 O ATOM 129 CB SER A 8 -5.981 -4.652 -1.990 1.00 0.00 C ATOM 130 OG SER A 8 -5.767 -5.349 -3.207 1.00 0.00 O ATOM 0 H SER A 8 -5.204 -4.136 0.852 1.00 0.00 H new ATOM 0 HA SER A 8 -5.734 -6.448 -0.845 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.050 -4.504 -1.838 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.528 -3.663 -2.051 1.00 0.00 H new ATOM 0 HG SER A 8 -6.155 -4.839 -3.949 1.00 0.00 H new ATOM 136 N VAL A 9 -3.311 -5.597 -2.025 1.00 0.00 N ATOM 137 CA VAL A 9 -1.871 -5.586 -2.207 1.00 0.00 C ATOM 138 C VAL A 9 -1.520 -4.892 -3.520 1.00 0.00 C ATOM 139 O VAL A 9 -2.176 -5.104 -4.542 1.00 0.00 O ATOM 140 CB VAL A 9 -1.287 -7.022 -2.176 1.00 0.00 C ATOM 141 CG1 VAL A 9 -1.879 -7.887 -3.279 1.00 0.00 C ATOM 142 CG2 VAL A 9 0.231 -6.993 -2.272 1.00 0.00 C ATOM 0 H VAL A 9 -3.840 -5.765 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.425 -5.032 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.562 -7.468 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.448 -8.887 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.960 -7.951 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.654 -7.444 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.617 -8.012 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.527 -6.515 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.638 -6.431 -1.431 1.00 0.00 H new ATOM 152 N VAL A 10 -0.509 -4.041 -3.485 1.00 0.00 N ATOM 153 CA VAL A 10 -0.101 -3.304 -4.667 1.00 0.00 C ATOM 154 C VAL A 10 1.367 -3.579 -4.979 1.00 0.00 C ATOM 155 O VAL A 10 2.163 -3.848 -4.075 1.00 0.00 O ATOM 156 CB VAL A 10 -0.352 -1.785 -4.495 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.494 -1.213 -3.370 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.105 -1.032 -5.794 1.00 0.00 C ATOM 0 H VAL A 10 0.044 -3.844 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.706 -3.645 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.401 -1.655 -4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.297 -0.145 -3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.244 -1.715 -2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.550 -1.368 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.290 0.031 -5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.928 -1.179 -6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.776 -1.408 -6.566 1.00 0.00 H new ATOM 168 N ARG A 11 1.714 -3.545 -6.259 1.00 0.00 N ATOM 169 CA ARG A 11 3.074 -3.832 -6.696 1.00 0.00 C ATOM 170 C ARG A 11 4.013 -2.679 -6.356 1.00 0.00 C ATOM 171 O ARG A 11 3.636 -1.506 -6.437 1.00 0.00 O ATOM 172 CB ARG A 11 3.099 -4.130 -8.194 1.00 0.00 C ATOM 173 CG ARG A 11 2.445 -5.458 -8.547 1.00 0.00 C ATOM 174 CD ARG A 11 2.323 -5.647 -10.049 1.00 0.00 C ATOM 175 NE ARG A 11 1.420 -4.666 -10.649 1.00 0.00 N ATOM 176 CZ ARG A 11 0.632 -4.923 -11.692 1.00 0.00 C ATOM 177 NH1 ARG A 11 0.643 -6.125 -12.254 1.00 0.00 N ATOM 178 NH2 ARG A 11 -0.167 -3.977 -12.170 1.00 0.00 N ATOM 0 H ARG A 11 1.069 -3.320 -7.016 1.00 0.00 H new ATOM 0 HA ARG A 11 3.425 -4.715 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.589 -3.327 -8.727 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.132 -4.137 -8.540 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.030 -6.275 -8.125 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.455 -5.507 -8.093 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.308 -5.562 -10.507 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.959 -6.653 -10.260 1.00 0.00 H new ATOM 0 HE ARG A 11 1.392 -3.730 -10.245 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.255 -6.854 -11.887 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.039 -6.320 -13.052 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.178 -3.053 -11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.770 -4.174 -12.969 1.00 0.00 H new ATOM 192 N VAL A 12 5.235 -3.026 -5.981 1.00 0.00 N ATOM 193 CA VAL A 12 6.187 -2.056 -5.474 1.00 0.00 C ATOM 194 C VAL A 12 7.272 -1.738 -6.503 1.00 0.00 C ATOM 195 O VAL A 12 7.670 -2.585 -7.301 1.00 0.00 O ATOM 196 CB VAL A 12 6.825 -2.564 -4.163 1.00 0.00 C ATOM 197 CG1 VAL A 12 7.815 -1.567 -3.601 1.00 0.00 C ATOM 198 CG2 VAL A 12 5.753 -2.851 -3.135 1.00 0.00 C ATOM 0 H VAL A 12 5.590 -3.981 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 12 5.642 -1.134 -5.271 1.00 0.00 H new ATOM 0 HB VAL A 12 7.363 -3.483 -4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.243 -1.960 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.611 -1.396 -4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.305 -0.626 -3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.217 -3.208 -2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.194 -1.939 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.075 -3.613 -3.519 1.00 0.00 H new ATOM 208 N ARG A 13 7.715 -0.494 -6.477 1.00 0.00 N ATOM 209 CA ARG A 13 8.730 0.019 -7.383 1.00 0.00 C ATOM 210 C ARG A 13 9.664 0.949 -6.592 1.00 0.00 C ATOM 211 O ARG A 13 9.521 1.077 -5.372 1.00 0.00 O ATOM 212 CB ARG A 13 8.019 0.763 -8.527 1.00 0.00 C ATOM 213 CG ARG A 13 8.923 1.301 -9.625 1.00 0.00 C ATOM 214 CD ARG A 13 8.111 1.947 -10.739 1.00 0.00 C ATOM 215 NE ARG A 13 7.168 2.946 -10.229 1.00 0.00 N ATOM 216 CZ ARG A 13 6.809 4.043 -10.896 1.00 0.00 C ATOM 217 NH1 ARG A 13 7.381 4.336 -12.055 1.00 0.00 N ATOM 218 NH2 ARG A 13 5.893 4.859 -10.390 1.00 0.00 N ATOM 0 H ARG A 13 7.374 0.202 -5.814 1.00 0.00 H new ATOM 0 HA ARG A 13 9.332 -0.782 -7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.292 0.088 -8.978 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.459 1.596 -8.102 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.615 2.031 -9.205 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.525 0.490 -10.034 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.787 2.419 -11.452 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.563 1.176 -11.281 1.00 0.00 H new ATOM 0 HE ARG A 13 6.761 2.792 -9.306 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.098 3.721 -12.439 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.104 5.176 -12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.463 4.647 -9.490 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.619 5.698 -10.901 1.00 0.00 H new ATOM 232 N GLY A 14 10.657 1.534 -7.248 1.00 0.00 N ATOM 233 CA GLY A 14 11.371 2.643 -6.643 1.00 0.00 C ATOM 234 C GLY A 14 12.804 2.329 -6.273 1.00 0.00 C ATOM 235 O GLY A 14 13.428 1.434 -6.844 1.00 0.00 O ATOM 0 H GLY A 14 10.979 1.265 -8.178 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.362 3.486 -7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.837 2.959 -5.747 1.00 0.00 H new ATOM 239 N SER A 15 13.304 3.065 -5.285 1.00 0.00 N ATOM 240 CA SER A 15 14.705 3.008 -4.880 1.00 0.00 C ATOM 241 C SER A 15 15.014 1.774 -4.024 1.00 0.00 C ATOM 242 O SER A 15 16.003 1.749 -3.293 1.00 0.00 O ATOM 243 CB SER A 15 15.046 4.279 -4.103 1.00 0.00 C ATOM 244 OG SER A 15 14.600 5.432 -4.801 1.00 0.00 O ATOM 0 H SER A 15 12.745 3.722 -4.740 1.00 0.00 H new ATOM 0 HA SER A 15 15.315 2.933 -5.780 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.582 4.243 -3.117 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.123 4.337 -3.947 1.00 0.00 H new ATOM 0 HG SER A 15 14.827 6.234 -4.286 1.00 0.00 H new ATOM 250 N LYS A 16 14.165 0.760 -4.111 1.00 0.00 N ATOM 251 CA LYS A 16 14.421 -0.506 -3.447 1.00 0.00 C ATOM 252 C LYS A 16 13.647 -1.595 -4.167 1.00 0.00 C ATOM 253 O LYS A 16 12.535 -1.360 -4.650 1.00 0.00 O ATOM 254 CB LYS A 16 14.079 -0.432 -1.937 1.00 0.00 C ATOM 255 CG LYS A 16 12.702 -0.948 -1.503 1.00 0.00 C ATOM 256 CD LYS A 16 11.546 -0.193 -2.139 1.00 0.00 C ATOM 257 CE LYS A 16 10.275 -0.341 -1.319 1.00 0.00 C ATOM 258 NZ LYS A 16 9.167 0.511 -1.836 1.00 0.00 N ATOM 0 H LYS A 16 13.291 0.792 -4.637 1.00 0.00 H new ATOM 0 HA LYS A 16 15.484 -0.743 -3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.837 -0.994 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.164 0.608 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.621 -2.004 -1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.620 -0.876 -0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.803 0.862 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.376 -0.567 -3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.961 -1.385 -1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.481 -0.076 -0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.284 -0.039 -1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.049 1.340 -1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.393 0.827 -2.801 1.00 0.00 H new ATOM 272 N LYS A 17 14.238 -2.766 -4.282 1.00 0.00 N ATOM 273 CA LYS A 17 13.608 -3.834 -5.029 1.00 0.00 C ATOM 274 C LYS A 17 12.675 -4.626 -4.130 1.00 0.00 C ATOM 275 O LYS A 17 13.073 -5.608 -3.503 1.00 0.00 O ATOM 276 CB LYS A 17 14.652 -4.752 -5.671 1.00 0.00 C ATOM 277 CG LYS A 17 14.056 -5.760 -6.641 1.00 0.00 C ATOM 278 CD LYS A 17 15.137 -6.550 -7.353 1.00 0.00 C ATOM 279 CE LYS A 17 14.547 -7.505 -8.376 1.00 0.00 C ATOM 280 NZ LYS A 17 15.609 -8.217 -9.132 1.00 0.00 N ATOM 0 H LYS A 17 15.143 -3.001 -3.873 1.00 0.00 H new ATOM 0 HA LYS A 17 13.022 -3.387 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 17 15.386 -4.142 -6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 17 15.186 -5.287 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.400 -6.443 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.440 -5.240 -7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.824 -5.864 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.719 -7.112 -6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.909 -8.231 -7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.914 -6.951 -9.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.172 -8.861 -9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 16.203 -7.525 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.197 -8.765 -8.472 1.00 0.00 H new ATOM 294 N TYR A 18 11.441 -4.163 -4.038 1.00 0.00 N ATOM 295 CA TYR A 18 10.426 -4.886 -3.304 1.00 0.00 C ATOM 296 C TYR A 18 9.318 -5.292 -4.266 1.00 0.00 C ATOM 297 O TYR A 18 8.979 -4.532 -5.169 1.00 0.00 O ATOM 298 CB TYR A 18 9.869 -4.049 -2.150 1.00 0.00 C ATOM 299 CG TYR A 18 9.500 -4.886 -0.942 1.00 0.00 C ATOM 300 CD1 TYR A 18 8.261 -5.507 -0.847 1.00 0.00 C ATOM 301 CD2 TYR A 18 10.404 -5.063 0.099 1.00 0.00 C ATOM 302 CE1 TYR A 18 7.933 -6.282 0.251 1.00 0.00 C ATOM 303 CE2 TYR A 18 10.083 -5.836 1.199 1.00 0.00 C ATOM 304 CZ TYR A 18 8.848 -6.443 1.271 1.00 0.00 C ATOM 305 OH TYR A 18 8.526 -7.210 2.370 1.00 0.00 O ATOM 0 H TYR A 18 11.121 -3.292 -4.462 1.00 0.00 H new ATOM 0 HA TYR A 18 10.872 -5.778 -2.863 1.00 0.00 H new ATOM 0 HB2 TYR A 18 10.609 -3.304 -1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.988 -3.506 -2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.542 -5.383 -1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.373 -4.589 0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 18 6.966 -6.759 0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.797 -5.964 1.999 1.00 0.00 H new ATOM 0 HH TYR A 18 9.282 -7.221 2.994 1.00 0.00 H new ATOM 315 N ASN A 19 8.771 -6.486 -4.087 1.00 0.00 N ATOM 316 CA ASN A 19 7.799 -7.019 -5.037 1.00 0.00 C ATOM 317 C ASN A 19 6.422 -6.398 -4.854 1.00 0.00 C ATOM 318 O ASN A 19 5.958 -5.631 -5.696 1.00 0.00 O ATOM 319 CB ASN A 19 7.711 -8.544 -4.923 1.00 0.00 C ATOM 320 CG ASN A 19 6.794 -9.160 -5.969 1.00 0.00 C ATOM 321 OD1 ASN A 19 6.716 -8.541 -7.141 1.00 0.00 O flip ATOM 322 ND2 ASN A 19 6.166 -10.187 -5.727 1.00 0.00 N flip ATOM 0 H ASN A 19 8.980 -7.101 -3.301 1.00 0.00 H new ATOM 0 HA ASN A 19 8.149 -6.756 -6.035 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.709 -8.970 -5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.351 -8.810 -3.929 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.252 -10.634 -4.814 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.559 -10.593 -6.439 1.00 0.00 H new ATOM 329 N VAL A 20 5.778 -6.736 -3.759 1.00 0.00 N ATOM 330 CA VAL A 20 4.423 -6.265 -3.484 1.00 0.00 C ATOM 331 C VAL A 20 4.279 -5.829 -2.032 1.00 0.00 C ATOM 332 O VAL A 20 4.945 -6.366 -1.146 1.00 0.00 O ATOM 333 CB VAL A 20 3.366 -7.351 -3.790 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.276 -7.616 -5.285 1.00 0.00 C ATOM 335 CG2 VAL A 20 3.675 -8.641 -3.043 1.00 0.00 C ATOM 0 H VAL A 20 6.167 -7.339 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 20 4.250 -5.411 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 20 2.401 -6.979 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.526 -8.384 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.994 -6.698 -5.801 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.244 -7.956 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.916 -9.387 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.654 -9.012 -3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.677 -8.449 -1.970 1.00 0.00 H new ATOM 345 N VAL A 21 3.424 -4.843 -1.797 1.00 0.00 N ATOM 346 CA VAL A 21 3.158 -4.368 -0.449 1.00 0.00 C ATOM 347 C VAL A 21 1.651 -4.362 -0.165 1.00 0.00 C ATOM 348 O VAL A 21 0.858 -3.840 -0.953 1.00 0.00 O ATOM 349 CB VAL A 21 3.758 -2.956 -0.218 1.00 0.00 C ATOM 350 CG1 VAL A 21 3.095 -1.907 -1.099 1.00 0.00 C ATOM 351 CG2 VAL A 21 3.660 -2.564 1.243 1.00 0.00 C ATOM 0 H VAL A 21 2.902 -4.356 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 21 3.641 -5.055 0.245 1.00 0.00 H new ATOM 0 HB VAL A 21 4.810 -3.001 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.544 -0.933 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.236 -2.170 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.029 -1.865 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.086 -1.571 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.614 -2.556 1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.209 -3.283 1.850 1.00 0.00 H new ATOM 361 N PRO A 22 1.233 -4.996 0.941 1.00 0.00 N ATOM 362 CA PRO A 22 -0.172 -5.010 1.363 1.00 0.00 C ATOM 363 C PRO A 22 -0.637 -3.651 1.888 1.00 0.00 C ATOM 364 O PRO A 22 0.045 -3.007 2.693 1.00 0.00 O ATOM 365 CB PRO A 22 -0.200 -6.059 2.476 1.00 0.00 C ATOM 366 CG PRO A 22 1.188 -6.077 3.016 1.00 0.00 C ATOM 367 CD PRO A 22 2.091 -5.772 1.853 1.00 0.00 C ATOM 0 HA PRO A 22 -0.844 -5.235 0.535 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.922 -5.796 3.249 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.487 -7.037 2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.308 -5.337 3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.425 -7.049 3.449 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.966 -5.200 2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.457 -6.683 1.380 1.00 0.00 H new ATOM 375 N VAL A 23 -1.803 -3.228 1.431 1.00 0.00 N ATOM 376 CA VAL A 23 -2.362 -1.937 1.797 1.00 0.00 C ATOM 377 C VAL A 23 -3.702 -2.102 2.506 1.00 0.00 C ATOM 378 O VAL A 23 -4.300 -3.183 2.486 1.00 0.00 O ATOM 379 CB VAL A 23 -2.558 -1.037 0.559 1.00 0.00 C ATOM 380 CG1 VAL A 23 -1.224 -0.713 -0.085 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.482 -1.701 -0.449 1.00 0.00 C ATOM 0 H VAL A 23 -2.389 -3.769 0.796 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.650 -1.463 2.473 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.019 -0.106 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.385 -0.078 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.591 -0.191 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.736 -1.637 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.606 -1.049 -1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.050 -2.649 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.453 -1.882 0.012 1.00 0.00 H new ATOM 391 N LYS A 24 -4.163 -1.030 3.130 1.00 0.00 N ATOM 392 CA LYS A 24 -5.439 -1.025 3.826 1.00 0.00 C ATOM 393 C LYS A 24 -6.089 0.352 3.734 1.00 0.00 C ATOM 394 O LYS A 24 -5.501 1.293 3.199 1.00 0.00 O ATOM 395 CB LYS A 24 -5.251 -1.402 5.301 1.00 0.00 C ATOM 396 CG LYS A 24 -4.217 -0.547 6.021 1.00 0.00 C ATOM 397 CD LYS A 24 -4.398 -0.588 7.531 1.00 0.00 C ATOM 398 CE LYS A 24 -4.286 -1.997 8.090 1.00 0.00 C ATOM 399 NZ LYS A 24 -4.553 -2.027 9.555 1.00 0.00 N ATOM 0 H LYS A 24 -3.664 -0.141 3.168 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.086 -1.761 3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.208 -1.311 5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.953 -2.449 5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.216 -0.896 5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.293 0.484 5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.648 0.047 8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.373 -0.174 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.992 -2.650 7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.288 -2.389 7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.468 -3.003 9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.863 -1.423 10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.514 -1.676 9.740 1.00 0.00 H new ATOM 413 N SER A 25 -7.295 0.462 4.268 1.00 0.00 N ATOM 414 CA SER A 25 -7.992 1.736 4.341 1.00 0.00 C ATOM 415 C SER A 25 -8.046 2.213 5.789 1.00 0.00 C ATOM 416 O SER A 25 -8.392 1.443 6.687 1.00 0.00 O ATOM 417 CB SER A 25 -9.409 1.579 3.791 1.00 0.00 C ATOM 418 OG SER A 25 -9.390 0.988 2.505 1.00 0.00 O ATOM 0 H SER A 25 -7.815 -0.323 4.660 1.00 0.00 H new ATOM 0 HA SER A 25 -7.457 2.474 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.000 0.964 4.469 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.894 2.554 3.740 1.00 0.00 H new ATOM 0 HG SER A 25 -9.097 0.056 2.578 1.00 0.00 H new ATOM 424 N ASN A 26 -7.681 3.472 6.020 1.00 0.00 N ATOM 425 CA ASN A 26 -7.699 4.023 7.374 1.00 0.00 C ATOM 426 C ASN A 26 -9.121 4.387 7.781 1.00 0.00 C ATOM 427 O ASN A 26 -9.393 4.669 8.947 1.00 0.00 O ATOM 428 CB ASN A 26 -6.776 5.246 7.505 1.00 0.00 C ATOM 429 CG ASN A 26 -7.318 6.495 6.834 1.00 0.00 C ATOM 430 OD1 ASN A 26 -6.893 6.744 5.610 1.00 0.00 O flip ATOM 431 ND2 ASN A 26 -8.097 7.247 7.423 1.00 0.00 N flip ATOM 0 H ASN A 26 -7.373 4.123 5.298 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.323 3.252 8.047 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.612 5.455 8.562 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.805 5.005 7.073 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.405 7.023 8.369 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.434 8.093 6.964 1.00 0.00 H new ATOM 438 N LYS A 27 -10.024 4.375 6.811 1.00 0.00 N ATOM 439 CA LYS A 27 -11.432 4.609 7.075 1.00 0.00 C ATOM 440 C LYS A 27 -12.256 3.588 6.299 1.00 0.00 C ATOM 441 O LYS A 27 -11.963 3.318 5.134 1.00 0.00 O ATOM 442 CB LYS A 27 -11.831 6.039 6.692 1.00 0.00 C ATOM 443 CG LYS A 27 -13.243 6.409 7.124 1.00 0.00 C ATOM 444 CD LYS A 27 -13.563 7.869 6.853 1.00 0.00 C ATOM 445 CE LYS A 27 -13.651 8.162 5.367 1.00 0.00 C ATOM 446 NZ LYS A 27 -13.996 9.581 5.103 1.00 0.00 N ATOM 0 H LYS A 27 -9.803 4.205 5.830 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.624 4.494 8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.126 6.738 7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.748 6.154 5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.959 5.778 6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.361 6.205 8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.508 8.128 7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.795 8.499 7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.698 7.926 4.893 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.402 7.515 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.374 9.673 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.712 9.897 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.143 10.169 5.198 1.00 0.00 H new ATOM 460 N PRO A 28 -13.266 2.983 6.945 1.00 0.00 N ATOM 461 CA PRO A 28 -14.097 1.940 6.333 1.00 0.00 C ATOM 462 C PRO A 28 -14.766 2.385 5.032 1.00 0.00 C ATOM 463 O PRO A 28 -15.212 3.527 4.892 1.00 0.00 O ATOM 464 CB PRO A 28 -15.150 1.629 7.405 1.00 0.00 C ATOM 465 CG PRO A 28 -15.093 2.773 8.359 1.00 0.00 C ATOM 466 CD PRO A 28 -13.676 3.259 8.330 1.00 0.00 C ATOM 0 HA PRO A 28 -13.495 1.077 6.047 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.143 1.534 6.965 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -14.932 0.687 7.908 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.783 3.563 8.064 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -15.378 2.459 9.363 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.607 4.320 8.568 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.052 2.730 9.050 1.00 0.00 H new ATOM 474 N VAL A 29 -14.821 1.460 4.088 1.00 0.00 N ATOM 475 CA VAL A 29 -15.445 1.682 2.797 1.00 0.00 C ATOM 476 C VAL A 29 -16.551 0.661 2.567 1.00 0.00 C ATOM 477 O VAL A 29 -16.734 -0.252 3.367 1.00 0.00 O ATOM 478 CB VAL A 29 -14.417 1.574 1.653 1.00 0.00 C ATOM 479 CG1 VAL A 29 -13.548 2.817 1.584 1.00 0.00 C ATOM 480 CG2 VAL A 29 -13.555 0.338 1.831 1.00 0.00 C ATOM 0 H VAL A 29 -14.429 0.525 4.199 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.862 2.689 2.801 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.964 1.488 0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.832 2.715 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -14.176 3.691 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.012 2.939 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.835 0.276 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.024 0.399 2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.187 -0.550 1.825 1.00 0.00 H new ATOM 490 N GLU A 30 -17.286 0.816 1.481 1.00 0.00 N ATOM 491 CA GLU A 30 -18.363 -0.109 1.153 1.00 0.00 C ATOM 492 C GLU A 30 -17.794 -1.453 0.712 1.00 0.00 C ATOM 493 O GLU A 30 -16.786 -1.503 0.007 1.00 0.00 O ATOM 494 CB GLU A 30 -19.222 0.464 0.027 1.00 0.00 C ATOM 495 CG GLU A 30 -19.766 1.852 0.301 1.00 0.00 C ATOM 496 CD GLU A 30 -20.292 2.506 -0.960 1.00 0.00 C ATOM 497 OE1 GLU A 30 -19.490 3.122 -1.694 1.00 0.00 O ATOM 498 OE2 GLU A 30 -21.506 2.384 -1.234 1.00 0.00 O ATOM 0 H GLU A 30 -17.159 1.573 0.809 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.975 -0.252 2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -18.629 0.493 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -20.058 -0.211 -0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -20.565 1.790 1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -18.980 2.472 0.732 1.00 0.00 H new ATOM 505 N ILE A 31 -18.427 -2.538 1.136 1.00 0.00 N ATOM 506 CA ILE A 31 -18.064 -3.859 0.645 1.00 0.00 C ATOM 507 C ILE A 31 -18.427 -3.970 -0.832 1.00 0.00 C ATOM 508 O ILE A 31 -19.332 -3.276 -1.299 1.00 0.00 O ATOM 509 CB ILE A 31 -18.753 -4.989 1.442 1.00 0.00 C ATOM 510 CG1 ILE A 31 -20.276 -4.837 1.404 1.00 0.00 C ATOM 511 CG2 ILE A 31 -18.252 -4.993 2.879 1.00 0.00 C ATOM 512 CD1 ILE A 31 -21.015 -5.966 2.096 1.00 0.00 C ATOM 0 H ILE A 31 -19.189 -2.530 1.814 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.989 -3.978 0.778 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.500 -5.942 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -20.551 -3.892 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -20.602 -4.783 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -18.743 -5.793 3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -17.174 -5.154 2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.480 -4.035 3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -22.089 -5.792 2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -20.770 -6.912 1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -20.718 -6.007 3.144 1.00 0.00 H new ATOM 524 N SER A 32 -17.688 -4.806 -1.564 1.00 0.00 N ATOM 525 CA SER A 32 -17.851 -4.960 -3.017 1.00 0.00 C ATOM 526 C SER A 32 -17.308 -3.736 -3.767 1.00 0.00 C ATOM 527 O SER A 32 -16.774 -3.856 -4.870 1.00 0.00 O ATOM 528 CB SER A 32 -19.317 -5.218 -3.385 1.00 0.00 C ATOM 529 OG SER A 32 -19.826 -6.337 -2.675 1.00 0.00 O ATOM 0 H SER A 32 -16.957 -5.398 -1.168 1.00 0.00 H new ATOM 0 HA SER A 32 -17.269 -5.829 -3.324 1.00 0.00 H new ATOM 0 HB2 SER A 32 -19.914 -4.335 -3.158 1.00 0.00 H new ATOM 0 HB3 SER A 32 -19.402 -5.393 -4.458 1.00 0.00 H new ATOM 0 HG SER A 32 -20.763 -6.483 -2.923 1.00 0.00 H new ATOM 535 N LYS A 33 -17.425 -2.567 -3.145 1.00 0.00 N ATOM 536 CA LYS A 33 -16.860 -1.327 -3.669 1.00 0.00 C ATOM 537 C LYS A 33 -15.332 -1.428 -3.708 1.00 0.00 C ATOM 538 O LYS A 33 -14.657 -0.665 -4.399 1.00 0.00 O ATOM 539 CB LYS A 33 -17.315 -0.166 -2.773 1.00 0.00 C ATOM 540 CG LYS A 33 -16.874 1.223 -3.210 1.00 0.00 C ATOM 541 CD LYS A 33 -17.456 1.612 -4.556 1.00 0.00 C ATOM 542 CE LYS A 33 -17.390 3.117 -4.769 1.00 0.00 C ATOM 543 NZ LYS A 33 -18.464 3.835 -4.029 1.00 0.00 N ATOM 0 H LYS A 33 -17.917 -2.452 -2.259 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.209 -1.150 -4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -18.404 -0.180 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.943 -0.344 -1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.179 1.952 -2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -15.786 1.257 -3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.910 1.105 -5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.492 1.278 -4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -16.417 3.486 -4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -17.475 3.336 -5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -18.149 4.802 -3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.323 3.874 -4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.671 3.331 -3.143 1.00 0.00 H new ATOM 557 N TRP A 34 -14.810 -2.406 -2.966 1.00 0.00 N ATOM 558 CA TRP A 34 -13.378 -2.689 -2.918 1.00 0.00 C ATOM 559 C TRP A 34 -12.802 -2.909 -4.314 1.00 0.00 C ATOM 560 O TRP A 34 -11.692 -2.472 -4.614 1.00 0.00 O ATOM 561 CB TRP A 34 -13.115 -3.945 -2.080 1.00 0.00 C ATOM 562 CG TRP A 34 -13.569 -3.844 -0.655 1.00 0.00 C ATOM 563 CD1 TRP A 34 -13.854 -2.708 0.044 1.00 0.00 C ATOM 564 CD2 TRP A 34 -13.772 -4.932 0.252 1.00 0.00 C ATOM 565 NE1 TRP A 34 -14.226 -3.023 1.325 1.00 0.00 N ATOM 566 CE2 TRP A 34 -14.185 -4.382 1.479 1.00 0.00 C ATOM 567 CE3 TRP A 34 -13.647 -6.320 0.144 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -14.473 -5.171 2.590 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -13.934 -7.102 1.246 1.00 0.00 C ATOM 570 CH2 TRP A 34 -14.342 -6.525 2.455 1.00 0.00 C ATOM 0 H TRP A 34 -15.371 -3.025 -2.381 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.893 -1.823 -2.467 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -13.616 -4.792 -2.549 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.046 -4.159 -2.094 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -13.795 -1.706 -0.354 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -14.491 -2.353 2.047 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -13.332 -6.773 -0.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -14.788 -4.729 3.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -13.842 -8.176 1.174 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -14.558 -7.163 3.299 1.00 0.00 H new ATOM 581 N ILE A 35 -13.568 -3.589 -5.162 1.00 0.00 N ATOM 582 CA ILE A 35 -13.112 -3.948 -6.502 1.00 0.00 C ATOM 583 C ILE A 35 -12.775 -2.699 -7.320 1.00 0.00 C ATOM 584 O ILE A 35 -11.811 -2.687 -8.085 1.00 0.00 O ATOM 585 CB ILE A 35 -14.166 -4.815 -7.250 1.00 0.00 C ATOM 586 CG1 ILE A 35 -14.200 -6.249 -6.693 1.00 0.00 C ATOM 587 CG2 ILE A 35 -13.891 -4.850 -8.750 1.00 0.00 C ATOM 588 CD1 ILE A 35 -14.755 -6.369 -5.288 1.00 0.00 C ATOM 0 H ILE A 35 -14.513 -3.904 -4.943 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.206 -4.543 -6.387 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.139 -4.352 -7.086 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.799 -6.869 -7.360 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -13.188 -6.653 -6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.645 -5.464 -9.244 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.928 -3.837 -9.151 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -12.903 -5.275 -8.929 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.740 -7.414 -4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.144 -5.780 -4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -15.780 -5.999 -5.269 1.00 0.00 H new ATOM 600 N ASP A 36 -13.547 -1.639 -7.122 1.00 0.00 N ATOM 601 CA ASP A 36 -13.341 -0.397 -7.859 1.00 0.00 C ATOM 602 C ASP A 36 -12.014 0.246 -7.453 1.00 0.00 C ATOM 603 O ASP A 36 -11.222 0.671 -8.303 1.00 0.00 O ATOM 604 CB ASP A 36 -14.507 0.562 -7.603 1.00 0.00 C ATOM 605 CG ASP A 36 -14.460 1.789 -8.489 1.00 0.00 C ATOM 606 OD1 ASP A 36 -14.386 1.632 -9.726 1.00 0.00 O ATOM 607 OD2 ASP A 36 -14.529 2.915 -7.957 1.00 0.00 O ATOM 0 H ASP A 36 -14.321 -1.613 -6.458 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.301 -0.619 -8.925 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.447 0.036 -7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.494 0.873 -6.558 1.00 0.00 H new ATOM 612 N PHE A 37 -11.758 0.274 -6.148 1.00 0.00 N ATOM 613 CA PHE A 37 -10.504 0.806 -5.626 1.00 0.00 C ATOM 614 C PHE A 37 -9.332 -0.075 -6.046 1.00 0.00 C ATOM 615 O PHE A 37 -8.248 0.419 -6.351 1.00 0.00 O ATOM 616 CB PHE A 37 -10.546 0.915 -4.100 1.00 0.00 C ATOM 617 CG PHE A 37 -11.574 1.882 -3.581 1.00 0.00 C ATOM 618 CD1 PHE A 37 -11.432 3.245 -3.794 1.00 0.00 C ATOM 619 CD2 PHE A 37 -12.676 1.429 -2.874 1.00 0.00 C ATOM 620 CE1 PHE A 37 -12.371 4.138 -3.310 1.00 0.00 C ATOM 621 CE2 PHE A 37 -13.617 2.316 -2.388 1.00 0.00 C ATOM 622 CZ PHE A 37 -13.466 3.672 -2.609 1.00 0.00 C ATOM 0 H PHE A 37 -12.402 -0.065 -5.434 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.368 1.804 -6.043 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -10.747 -0.071 -3.682 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.563 1.219 -3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.579 3.613 -4.344 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.801 0.370 -2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.248 5.197 -3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -14.470 1.950 -1.836 1.00 0.00 H new ATOM 0 HZ PHE A 37 -14.203 4.366 -2.234 1.00 0.00 H new ATOM 632 N SER A 38 -9.562 -1.384 -6.069 1.00 0.00 N ATOM 633 CA SER A 38 -8.533 -2.333 -6.468 1.00 0.00 C ATOM 634 C SER A 38 -8.180 -2.143 -7.942 1.00 0.00 C ATOM 635 O SER A 38 -7.034 -2.346 -8.342 1.00 0.00 O ATOM 636 CB SER A 38 -9.002 -3.769 -6.205 1.00 0.00 C ATOM 637 OG SER A 38 -7.944 -4.698 -6.370 1.00 0.00 O ATOM 0 H SER A 38 -10.453 -1.810 -5.815 1.00 0.00 H new ATOM 0 HA SER A 38 -7.638 -2.150 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.399 -3.844 -5.193 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.816 -4.018 -6.886 1.00 0.00 H new ATOM 0 HG SER A 38 -8.274 -5.604 -6.194 1.00 0.00 H new ATOM 643 N ASN A 39 -9.167 -1.742 -8.741 1.00 0.00 N ATOM 644 CA ASN A 39 -8.931 -1.421 -10.146 1.00 0.00 C ATOM 645 C ASN A 39 -7.973 -0.247 -10.259 1.00 0.00 C ATOM 646 O ASN A 39 -7.064 -0.250 -11.088 1.00 0.00 O ATOM 647 CB ASN A 39 -10.240 -1.084 -10.865 1.00 0.00 C ATOM 648 CG ASN A 39 -10.870 -2.284 -11.541 1.00 0.00 C ATOM 649 OD1 ASN A 39 -10.593 -2.568 -12.704 1.00 0.00 O ATOM 650 ND2 ASN A 39 -11.719 -2.997 -10.823 1.00 0.00 N ATOM 0 H ASN A 39 -10.135 -1.632 -8.440 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.493 -2.299 -10.621 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.946 -0.667 -10.147 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.050 -0.312 -11.611 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.170 -3.816 -11.231 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.923 -2.729 -9.860 1.00 0.00 H new ATOM 657 N VAL A 40 -8.183 0.756 -9.412 1.00 0.00 N ATOM 658 CA VAL A 40 -7.299 1.915 -9.368 1.00 0.00 C ATOM 659 C VAL A 40 -5.880 1.504 -8.962 1.00 0.00 C ATOM 660 O VAL A 40 -4.903 1.879 -9.615 1.00 0.00 O ATOM 661 CB VAL A 40 -7.823 2.989 -8.389 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.946 4.232 -8.422 1.00 0.00 C ATOM 663 CG2 VAL A 40 -9.266 3.347 -8.709 1.00 0.00 C ATOM 0 H VAL A 40 -8.956 0.789 -8.748 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.277 2.340 -10.372 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.784 2.574 -7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.337 4.972 -7.724 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.928 3.967 -8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.944 4.649 -9.429 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.617 4.105 -8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.328 3.736 -9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.889 2.457 -8.623 1.00 0.00 H new ATOM 673 N LEU A 41 -5.777 0.708 -7.901 1.00 0.00 N ATOM 674 CA LEU A 41 -4.480 0.273 -7.382 1.00 0.00 C ATOM 675 C LEU A 41 -3.753 -0.642 -8.364 1.00 0.00 C ATOM 676 O LEU A 41 -2.528 -0.750 -8.336 1.00 0.00 O ATOM 677 CB LEU A 41 -4.650 -0.444 -6.042 1.00 0.00 C ATOM 678 CG LEU A 41 -5.245 0.403 -4.916 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.348 -0.415 -3.639 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.406 1.653 -4.680 1.00 0.00 C ATOM 0 H LEU A 41 -6.578 0.349 -7.381 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.875 1.168 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.287 -1.315 -6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.676 -0.813 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.246 0.715 -5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.773 0.200 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.990 -1.279 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.355 -0.754 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.847 2.241 -3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.392 1.364 -4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.378 2.250 -5.592 1.00 0.00 H new ATOM 692 N SER A 42 -4.510 -1.295 -9.239 1.00 0.00 N ATOM 693 CA SER A 42 -3.937 -2.181 -10.245 1.00 0.00 C ATOM 694 C SER A 42 -3.060 -1.392 -11.218 1.00 0.00 C ATOM 695 O SER A 42 -2.184 -1.949 -11.884 1.00 0.00 O ATOM 696 CB SER A 42 -5.060 -2.907 -10.999 1.00 0.00 C ATOM 697 OG SER A 42 -4.546 -3.846 -11.931 1.00 0.00 O ATOM 0 H SER A 42 -5.527 -1.226 -9.271 1.00 0.00 H new ATOM 0 HA SER A 42 -3.310 -2.921 -9.748 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.705 -3.419 -10.285 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.678 -2.177 -11.521 1.00 0.00 H new ATOM 0 HG SER A 42 -5.289 -4.290 -12.391 1.00 0.00 H new ATOM 703 N ARG A 43 -3.287 -0.087 -11.279 1.00 0.00 N ATOM 704 CA ARG A 43 -2.537 0.783 -12.171 1.00 0.00 C ATOM 705 C ARG A 43 -1.501 1.591 -11.397 1.00 0.00 C ATOM 706 O ARG A 43 -0.944 2.559 -11.914 1.00 0.00 O ATOM 707 CB ARG A 43 -3.494 1.725 -12.902 1.00 0.00 C ATOM 708 CG ARG A 43 -4.447 1.011 -13.844 1.00 0.00 C ATOM 709 CD ARG A 43 -5.515 1.952 -14.383 1.00 0.00 C ATOM 710 NE ARG A 43 -4.943 3.138 -15.019 1.00 0.00 N ATOM 711 CZ ARG A 43 -5.221 3.525 -16.262 1.00 0.00 C ATOM 712 NH1 ARG A 43 -6.046 2.810 -17.017 1.00 0.00 N ATOM 713 NH2 ARG A 43 -4.669 4.627 -16.753 1.00 0.00 N ATOM 0 H ARG A 43 -3.989 0.394 -10.717 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.014 0.163 -12.899 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.073 2.283 -12.167 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.913 2.452 -13.469 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.886 0.584 -14.675 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.923 0.182 -13.321 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.134 1.419 -15.104 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.169 2.260 -13.567 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.290 3.704 -14.477 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.470 1.960 -16.645 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.256 3.111 -17.969 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.031 5.178 -16.178 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.882 4.923 -17.705 1.00 0.00 H new ATOM 727 N LEU A 44 -1.231 1.182 -10.165 1.00 0.00 N ATOM 728 CA LEU A 44 -0.320 1.918 -9.299 1.00 0.00 C ATOM 729 C LEU A 44 0.954 1.118 -9.033 1.00 0.00 C ATOM 730 O LEU A 44 0.908 -0.099 -8.845 1.00 0.00 O ATOM 731 CB LEU A 44 -1.015 2.249 -7.973 1.00 0.00 C ATOM 732 CG LEU A 44 -0.217 3.131 -7.013 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.113 4.549 -7.549 1.00 0.00 C ATOM 734 CD2 LEU A 44 -0.857 3.125 -5.636 1.00 0.00 C ATOM 0 H LEU A 44 -1.630 0.344 -9.742 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.042 2.843 -9.804 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.961 2.744 -8.193 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.255 1.315 -7.466 1.00 0.00 H new ATOM 0 HG LEU A 44 0.791 2.725 -6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.459 5.161 -6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.389 4.536 -8.516 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.112 4.968 -7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.278 3.757 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.875 3.507 -5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.878 2.106 -5.249 1.00 0.00 H new ATOM 746 N TYR A 45 2.088 1.809 -9.045 1.00 0.00 N ATOM 747 CA TYR A 45 3.361 1.222 -8.647 1.00 0.00 C ATOM 748 C TYR A 45 4.013 2.099 -7.587 1.00 0.00 C ATOM 749 O TYR A 45 4.651 3.102 -7.914 1.00 0.00 O ATOM 750 CB TYR A 45 4.311 1.072 -9.842 1.00 0.00 C ATOM 751 CG TYR A 45 3.849 0.087 -10.891 1.00 0.00 C ATOM 752 CD1 TYR A 45 3.633 -1.245 -10.569 1.00 0.00 C ATOM 753 CD2 TYR A 45 3.642 0.488 -12.204 1.00 0.00 C ATOM 754 CE1 TYR A 45 3.220 -2.151 -11.525 1.00 0.00 C ATOM 755 CE2 TYR A 45 3.230 -0.413 -13.167 1.00 0.00 C ATOM 756 CZ TYR A 45 3.023 -1.733 -12.823 1.00 0.00 C ATOM 757 OH TYR A 45 2.610 -2.637 -13.776 1.00 0.00 O ATOM 0 H TYR A 45 2.151 2.787 -9.329 1.00 0.00 H new ATOM 0 HA TYR A 45 3.165 0.228 -8.245 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.442 2.047 -10.310 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.289 0.761 -9.475 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.791 -1.578 -9.554 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.806 1.520 -12.477 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.052 -3.184 -11.257 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.071 -0.086 -14.184 1.00 0.00 H new ATOM 0 HH TYR A 45 2.517 -2.183 -14.639 1.00 0.00 H new ATOM 767 N VAL A 46 3.844 1.729 -6.325 1.00 0.00 N ATOM 768 CA VAL A 46 4.325 2.548 -5.219 1.00 0.00 C ATOM 769 C VAL A 46 5.827 2.369 -5.017 1.00 0.00 C ATOM 770 O VAL A 46 6.320 1.253 -4.847 1.00 0.00 O ATOM 771 CB VAL A 46 3.572 2.231 -3.904 1.00 0.00 C ATOM 772 CG1 VAL A 46 3.618 0.742 -3.587 1.00 0.00 C ATOM 773 CG2 VAL A 46 4.142 3.044 -2.748 1.00 0.00 C ATOM 0 H VAL A 46 3.378 0.867 -6.041 1.00 0.00 H new ATOM 0 HA VAL A 46 4.128 3.587 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 46 2.528 2.512 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.081 0.551 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.151 0.183 -4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.655 0.425 -3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.599 2.806 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.196 2.801 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.039 4.107 -2.965 1.00 0.00 H new ATOM 783 N GLY A 47 6.553 3.472 -5.045 1.00 0.00 N ATOM 784 CA GLY A 47 7.987 3.402 -4.923 1.00 0.00 C ATOM 785 C GLY A 47 8.499 3.940 -3.607 1.00 0.00 C ATOM 786 O GLY A 47 7.724 4.452 -2.801 1.00 0.00 O ATOM 0 H GLY A 47 6.174 4.413 -5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.304 2.365 -5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.443 3.963 -5.739 1.00 0.00 H new ATOM 790 N VAL A 48 9.814 3.807 -3.400 1.00 0.00 N ATOM 791 CA VAL A 48 10.489 4.306 -2.197 1.00 0.00 C ATOM 792 C VAL A 48 10.176 3.436 -0.974 1.00 0.00 C ATOM 793 O VAL A 48 9.039 3.008 -0.778 1.00 0.00 O ATOM 794 CB VAL A 48 10.119 5.783 -1.909 1.00 0.00 C ATOM 795 CG1 VAL A 48 10.752 6.269 -0.614 1.00 0.00 C ATOM 796 CG2 VAL A 48 10.544 6.671 -3.068 1.00 0.00 C ATOM 0 H VAL A 48 10.441 3.350 -4.063 1.00 0.00 H new ATOM 0 HA VAL A 48 11.560 4.252 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 48 9.036 5.841 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.473 7.308 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.400 5.656 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.837 6.192 -0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.277 7.705 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.622 6.596 -3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.037 6.349 -3.978 1.00 0.00 H new ATOM 806 N PRO A 49 11.207 3.087 -0.186 1.00 0.00 N ATOM 807 CA PRO A 49 11.030 2.396 1.101 1.00 0.00 C ATOM 808 C PRO A 49 10.119 3.181 2.046 1.00 0.00 C ATOM 809 O PRO A 49 10.431 4.306 2.440 1.00 0.00 O ATOM 810 CB PRO A 49 12.453 2.321 1.664 1.00 0.00 C ATOM 811 CG PRO A 49 13.336 2.409 0.470 1.00 0.00 C ATOM 812 CD PRO A 49 12.630 3.317 -0.492 1.00 0.00 C ATOM 0 HA PRO A 49 10.557 1.421 0.985 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.647 3.136 2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.615 1.391 2.209 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.316 2.806 0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.500 1.425 0.031 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.911 4.359 -0.343 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.865 3.069 -1.527 1.00 0.00 H new ATOM 820 N THR A 50 8.988 2.590 2.385 1.00 0.00 N ATOM 821 CA THR A 50 7.998 3.254 3.211 1.00 0.00 C ATOM 822 C THR A 50 7.768 2.493 4.512 1.00 0.00 C ATOM 823 O THR A 50 8.241 1.369 4.672 1.00 0.00 O ATOM 824 CB THR A 50 6.673 3.399 2.447 1.00 0.00 C ATOM 825 OG1 THR A 50 6.389 2.190 1.721 1.00 0.00 O ATOM 826 CG2 THR A 50 6.724 4.576 1.483 1.00 0.00 C ATOM 0 H THR A 50 8.732 1.645 2.099 1.00 0.00 H new ATOM 0 HA THR A 50 8.378 4.246 3.456 1.00 0.00 H new ATOM 0 HB THR A 50 5.881 3.582 3.173 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.542 2.290 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.774 4.656 0.955 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.908 5.495 2.040 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.527 4.422 0.762 1.00 0.00 H new ATOM 834 N LYS A 51 7.049 3.110 5.440 1.00 0.00 N ATOM 835 CA LYS A 51 6.799 2.506 6.739 1.00 0.00 C ATOM 836 C LYS A 51 5.291 2.339 6.960 1.00 0.00 C ATOM 837 O LYS A 51 4.487 2.857 6.187 1.00 0.00 O ATOM 838 CB LYS A 51 7.430 3.371 7.842 1.00 0.00 C ATOM 839 CG LYS A 51 7.600 2.653 9.171 1.00 0.00 C ATOM 840 CD LYS A 51 8.319 3.518 10.194 1.00 0.00 C ATOM 841 CE LYS A 51 8.506 2.778 11.510 1.00 0.00 C ATOM 842 NZ LYS A 51 7.210 2.369 12.109 1.00 0.00 N ATOM 0 H LYS A 51 6.628 4.031 5.316 1.00 0.00 H new ATOM 0 HA LYS A 51 7.256 1.517 6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.405 3.720 7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.811 4.255 7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.621 2.370 9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.161 1.731 9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.291 3.817 9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.749 4.431 10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.123 1.895 11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.044 3.416 12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.386 1.796 12.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.665 3.216 12.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.670 1.809 11.419 1.00 0.00 H new ATOM 856 N SER A 52 4.921 1.604 8.005 1.00 0.00 N ATOM 857 CA SER A 52 3.522 1.327 8.323 1.00 0.00 C ATOM 858 C SER A 52 2.674 2.598 8.405 1.00 0.00 C ATOM 859 O SER A 52 2.921 3.478 9.232 1.00 0.00 O ATOM 860 CB SER A 52 3.451 0.558 9.641 1.00 0.00 C ATOM 861 OG SER A 52 4.522 0.932 10.498 1.00 0.00 O ATOM 0 H SER A 52 5.583 1.183 8.657 1.00 0.00 H new ATOM 0 HA SER A 52 3.108 0.727 7.512 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.499 0.756 10.133 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.492 -0.514 9.446 1.00 0.00 H new ATOM 0 HG SER A 52 5.296 0.356 10.325 1.00 0.00 H new ATOM 867 N GLY A 53 1.677 2.686 7.539 1.00 0.00 N ATOM 868 CA GLY A 53 0.782 3.820 7.552 1.00 0.00 C ATOM 869 C GLY A 53 1.144 4.843 6.499 1.00 0.00 C ATOM 870 O GLY A 53 0.828 6.023 6.643 1.00 0.00 O ATOM 0 H GLY A 53 1.472 1.988 6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.239 3.477 7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.806 4.289 8.536 1.00 0.00 H new ATOM 874 N ASN A 54 1.812 4.394 5.443 1.00 0.00 N ATOM 875 CA ASN A 54 2.206 5.295 4.364 1.00 0.00 C ATOM 876 C ASN A 54 1.096 5.383 3.329 1.00 0.00 C ATOM 877 O ASN A 54 0.548 4.368 2.906 1.00 0.00 O ATOM 878 CB ASN A 54 3.522 4.852 3.703 1.00 0.00 C ATOM 879 CG ASN A 54 3.424 3.531 2.956 1.00 0.00 C ATOM 880 OD1 ASN A 54 3.741 2.441 3.634 1.00 0.00 O flip ATOM 881 ND2 ASN A 54 3.090 3.493 1.772 1.00 0.00 N flip ATOM 0 H ASN A 54 2.090 3.422 5.310 1.00 0.00 H new ATOM 0 HA ASN A 54 2.374 6.281 4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.847 5.627 3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.292 4.768 4.470 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.852 4.355 1.281 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.051 2.600 1.282 1.00 0.00 H new ATOM 888 N VAL A 55 0.758 6.600 2.935 1.00 0.00 N ATOM 889 CA VAL A 55 -0.354 6.823 2.025 1.00 0.00 C ATOM 890 C VAL A 55 0.104 6.751 0.571 1.00 0.00 C ATOM 891 O VAL A 55 1.036 7.451 0.172 1.00 0.00 O ATOM 892 CB VAL A 55 -1.018 8.195 2.274 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.261 8.351 1.416 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.360 8.375 3.744 1.00 0.00 C ATOM 0 H VAL A 55 1.238 7.450 3.231 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.082 6.034 2.215 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.305 8.970 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.714 9.324 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.988 8.277 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.974 7.564 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.826 9.349 3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.050 7.591 4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.449 8.314 4.340 1.00 0.00 H new ATOM 904 N VAL A 56 -0.545 5.899 -0.212 1.00 0.00 N ATOM 905 CA VAL A 56 -0.267 5.820 -1.640 1.00 0.00 C ATOM 906 C VAL A 56 -1.293 6.634 -2.424 1.00 0.00 C ATOM 907 O VAL A 56 -0.964 7.287 -3.414 1.00 0.00 O ATOM 908 CB VAL A 56 -0.248 4.360 -2.152 1.00 0.00 C ATOM 909 CG1 VAL A 56 0.905 3.600 -1.523 1.00 0.00 C ATOM 910 CG2 VAL A 56 -1.567 3.651 -1.874 1.00 0.00 C ATOM 0 H VAL A 56 -1.265 5.255 0.116 1.00 0.00 H new ATOM 0 HA VAL A 56 0.728 6.236 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.110 4.387 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.908 2.574 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.846 4.083 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.790 3.597 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.516 2.628 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.753 3.636 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.377 4.180 -2.375 1.00 0.00 H new ATOM 920 N CYS A 57 -2.535 6.589 -1.974 1.00 0.00 N ATOM 921 CA CYS A 57 -3.598 7.375 -2.577 1.00 0.00 C ATOM 922 C CYS A 57 -4.370 8.116 -1.493 1.00 0.00 C ATOM 923 O CYS A 57 -5.141 7.509 -0.746 1.00 0.00 O ATOM 924 CB CYS A 57 -4.535 6.480 -3.392 1.00 0.00 C ATOM 925 SG CYS A 57 -3.703 5.569 -4.714 1.00 0.00 S ATOM 0 H CYS A 57 -2.834 6.012 -1.188 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.156 8.105 -3.255 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.018 5.769 -2.722 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.323 7.095 -3.827 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.570 4.837 -5.349 1.00 0.00 H new ATOM 931 N LYS A 58 -4.139 9.419 -1.388 1.00 0.00 N ATOM 932 CA LYS A 58 -4.795 10.223 -0.369 1.00 0.00 C ATOM 933 C LYS A 58 -6.042 10.880 -0.943 1.00 0.00 C ATOM 934 O LYS A 58 -5.978 11.534 -1.988 1.00 0.00 O ATOM 935 CB LYS A 58 -3.843 11.289 0.185 1.00 0.00 C ATOM 936 CG LYS A 58 -4.327 11.903 1.488 1.00 0.00 C ATOM 937 CD LYS A 58 -3.330 12.897 2.052 1.00 0.00 C ATOM 938 CE LYS A 58 -3.686 13.288 3.478 1.00 0.00 C ATOM 939 NZ LYS A 58 -5.038 13.899 3.579 1.00 0.00 N ATOM 0 H LYS A 58 -3.504 9.938 -1.995 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.084 9.566 0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.861 10.843 0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.719 12.078 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.282 12.402 1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.504 11.113 2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.330 12.464 2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.306 13.787 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.641 12.405 4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.944 13.991 3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.200 14.225 4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.103 14.708 2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.758 13.192 3.326 1.00 0.00 H new ATOM 953 N ASN A 59 -7.167 10.690 -0.254 1.00 0.00 N ATOM 954 CA ASN A 59 -8.462 11.202 -0.700 1.00 0.00 C ATOM 955 C ASN A 59 -8.748 10.716 -2.119 1.00 0.00 C ATOM 956 O ASN A 59 -9.305 11.443 -2.941 1.00 0.00 O ATOM 957 CB ASN A 59 -8.474 12.733 -0.635 1.00 0.00 C ATOM 958 CG ASN A 59 -9.825 13.283 -0.222 1.00 0.00 C ATOM 959 OD1 ASN A 59 -10.687 13.554 -1.055 1.00 0.00 O ATOM 960 ND2 ASN A 59 -10.010 13.462 1.079 1.00 0.00 N ATOM 0 H ASN A 59 -7.206 10.178 0.627 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.245 10.827 -0.040 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.716 13.070 0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.203 13.138 -1.610 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.894 13.838 1.421 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.268 13.224 1.737 1.00 0.00 H new ATOM 967 N ILE A 60 -8.398 9.448 -2.359 1.00 0.00 N ATOM 968 CA ILE A 60 -8.377 8.845 -3.695 1.00 0.00 C ATOM 969 C ILE A 60 -9.582 9.230 -4.562 1.00 0.00 C ATOM 970 O ILE A 60 -9.413 9.659 -5.701 1.00 0.00 O ATOM 971 CB ILE A 60 -8.260 7.303 -3.597 1.00 0.00 C ATOM 972 CG1 ILE A 60 -8.325 6.662 -4.987 1.00 0.00 C ATOM 973 CG2 ILE A 60 -9.333 6.726 -2.679 1.00 0.00 C ATOM 974 CD1 ILE A 60 -8.138 5.158 -4.977 1.00 0.00 C ATOM 0 H ILE A 60 -8.118 8.803 -1.620 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.496 9.250 -4.193 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.289 7.068 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.289 6.896 -5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.558 7.110 -5.619 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.226 5.642 -2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.222 7.147 -1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.319 6.976 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.197 4.777 -5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.163 4.915 -4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.920 4.698 -4.372 1.00 0.00 H new ATOM 986 N MET A 61 -10.786 9.090 -4.029 1.00 0.00 N ATOM 987 CA MET A 61 -11.993 9.411 -4.781 1.00 0.00 C ATOM 988 C MET A 61 -12.957 10.222 -3.927 1.00 0.00 C ATOM 989 O MET A 61 -14.131 9.880 -3.820 1.00 0.00 O ATOM 990 CB MET A 61 -12.670 8.133 -5.289 1.00 0.00 C ATOM 991 CG MET A 61 -11.879 7.409 -6.370 1.00 0.00 C ATOM 992 SD MET A 61 -11.675 8.397 -7.866 1.00 0.00 S ATOM 993 CE MET A 61 -10.707 7.280 -8.876 1.00 0.00 C ATOM 0 H MET A 61 -10.955 8.757 -3.080 1.00 0.00 H new ATOM 0 HA MET A 61 -11.707 10.014 -5.643 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.824 7.456 -4.449 1.00 0.00 H new ATOM 0 HB3 MET A 61 -13.656 8.385 -5.680 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.897 7.143 -5.979 1.00 0.00 H new ATOM 0 HG3 MET A 61 -12.385 6.477 -6.622 1.00 0.00 H new ATOM 0 HE1 MET A 61 -10.498 7.748 -9.838 1.00 0.00 H new ATOM 0 HE2 MET A 61 -9.768 7.054 -8.371 1.00 0.00 H new ATOM 0 HE3 MET A 61 -11.265 6.357 -9.035 1.00 0.00 H new ATOM 1003 N ASN A 62 -12.417 11.272 -3.296 1.00 0.00 N ATOM 1004 CA ASN A 62 -13.174 12.250 -2.479 1.00 0.00 C ATOM 1005 C ASN A 62 -13.970 11.612 -1.330 1.00 0.00 C ATOM 1006 O ASN A 62 -14.701 12.300 -0.616 1.00 0.00 O ATOM 1007 CB ASN A 62 -14.077 13.159 -3.351 1.00 0.00 C ATOM 1008 CG ASN A 62 -15.365 12.519 -3.870 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -16.028 11.734 -3.192 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -15.732 12.864 -5.094 1.00 0.00 N ATOM 0 H ASN A 62 -11.419 11.477 -3.335 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.417 12.877 -2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.342 14.042 -2.769 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.495 13.504 -4.206 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.584 12.477 -5.499 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.162 13.517 -5.632 1.00 0.00 H new ATOM 1017 N THR A 63 -13.798 10.313 -1.129 1.00 0.00 N ATOM 1018 CA THR A 63 -14.481 9.606 -0.053 1.00 0.00 C ATOM 1019 C THR A 63 -13.787 9.861 1.289 1.00 0.00 C ATOM 1020 O THR A 63 -14.321 9.551 2.355 1.00 0.00 O ATOM 1021 CB THR A 63 -14.555 8.084 -0.348 1.00 0.00 C ATOM 1022 OG1 THR A 63 -15.139 7.376 0.755 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.177 7.514 -0.647 1.00 0.00 C ATOM 0 H THR A 63 -13.189 9.725 -1.699 1.00 0.00 H new ATOM 0 HA THR A 63 -15.499 9.990 0.008 1.00 0.00 H new ATOM 0 HB THR A 63 -15.186 7.954 -1.227 1.00 0.00 H new ATOM 0 HG1 THR A 63 -15.097 7.933 1.560 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.261 6.446 -0.850 1.00 0.00 H new ATOM 0 HG22 THR A 63 -12.756 8.017 -1.518 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.524 7.670 0.212 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.596 10.445 1.231 1.00 0.00 N ATOM 1032 CA GLY A 64 -11.854 10.742 2.440 1.00 0.00 C ATOM 1033 C GLY A 64 -10.997 9.577 2.888 1.00 0.00 C ATOM 1034 O GLY A 64 -10.224 9.692 3.836 1.00 0.00 O ATOM 0 H GLY A 64 -12.131 10.718 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.220 11.612 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.551 11.005 3.236 1.00 0.00 H new ATOM 1038 N VAL A 65 -11.145 8.449 2.213 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.352 7.273 2.517 1.00 0.00 C ATOM 1040 C VAL A 65 -8.984 7.371 1.866 1.00 0.00 C ATOM 1041 O VAL A 65 -8.873 7.619 0.662 1.00 0.00 O ATOM 1042 CB VAL A 65 -11.055 5.979 2.056 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -10.133 4.776 2.187 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -12.319 5.754 2.861 1.00 0.00 C ATOM 0 H VAL A 65 -11.809 8.324 1.449 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.235 7.231 3.600 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.316 6.095 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.656 3.879 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.246 4.928 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.835 4.658 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.806 4.838 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.066 5.665 3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.996 6.597 2.719 1.00 0.00 H new ATOM 1054 N ASP A 66 -7.951 7.202 2.674 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.587 7.201 2.179 1.00 0.00 C ATOM 1056 C ASP A 66 -6.042 5.790 2.250 1.00 0.00 C ATOM 1057 O ASP A 66 -6.053 5.166 3.317 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.694 8.137 2.999 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.335 9.481 3.264 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -6.756 10.144 2.299 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -6.434 9.867 4.446 1.00 0.00 O ATOM 0 H ASP A 66 -8.033 7.063 3.681 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.590 7.558 1.149 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.454 7.661 3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.752 8.287 2.471 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.589 5.282 1.123 1.00 0.00 N ATOM 1067 CA ILE A 67 -5.077 3.925 1.065 1.00 0.00 C ATOM 1068 C ILE A 67 -3.636 3.899 1.554 1.00 0.00 C ATOM 1069 O ILE A 67 -2.761 4.538 0.964 1.00 0.00 O ATOM 1070 CB ILE A 67 -5.167 3.347 -0.363 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.612 3.420 -0.871 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.660 1.911 -0.397 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.615 2.739 0.039 1.00 0.00 C ATOM 0 H ILE A 67 -5.564 5.785 0.236 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.692 3.301 1.713 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.534 3.945 -1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.894 4.466 -0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.663 2.963 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.733 1.523 -1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.620 1.885 -0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.264 1.296 0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.614 2.832 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.360 1.684 0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.593 3.210 1.022 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.401 3.181 2.641 1.00 0.00 N ATOM 1086 CA ILE A 68 -2.098 3.180 3.284 1.00 0.00 C ATOM 1087 C ILE A 68 -1.515 1.778 3.366 1.00 0.00 C ATOM 1088 O ILE A 68 -2.229 0.811 3.625 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.168 3.783 4.707 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.155 3.001 5.581 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.566 5.251 4.641 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.231 3.506 7.005 1.00 0.00 C ATOM 0 H ILE A 68 -4.097 2.591 3.096 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.448 3.799 2.666 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.179 3.709 5.159 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.147 3.054 5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.865 1.950 5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.611 5.661 5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.828 5.802 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.544 5.342 4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.948 2.907 7.566 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.249 3.428 7.472 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.550 4.548 7.005 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.219 1.668 3.130 1.00 0.00 N ATOM 1105 CA CYS A 69 0.472 0.398 3.283 1.00 0.00 C ATOM 1106 C CYS A 69 0.970 0.275 4.716 1.00 0.00 C ATOM 1107 O CYS A 69 1.488 1.236 5.282 1.00 0.00 O ATOM 1108 CB CYS A 69 1.650 0.302 2.315 1.00 0.00 C ATOM 1109 SG CYS A 69 1.405 1.177 0.754 1.00 0.00 S ATOM 0 H CYS A 69 0.376 2.441 2.832 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.220 -0.413 3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.540 0.698 2.804 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.845 -0.749 2.102 1.00 0.00 H new ATOM 0 HG CYS A 69 2.460 1.036 0.007 1.00 0.00 H new ATOM 1115 N THR A 70 0.818 -0.895 5.306 1.00 0.00 N ATOM 1116 CA THR A 70 1.180 -1.081 6.703 1.00 0.00 C ATOM 1117 C THR A 70 2.483 -1.869 6.843 1.00 0.00 C ATOM 1118 O THR A 70 2.852 -2.299 7.935 1.00 0.00 O ATOM 1119 CB THR A 70 0.044 -1.795 7.476 1.00 0.00 C ATOM 1120 OG1 THR A 70 0.402 -1.949 8.856 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.259 -3.159 6.866 1.00 0.00 C ATOM 0 H THR A 70 0.449 -1.727 4.846 1.00 0.00 H new ATOM 0 HA THR A 70 1.332 -0.091 7.134 1.00 0.00 H new ATOM 0 HB THR A 70 -0.851 -1.178 7.404 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.370 -2.085 8.930 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.060 -3.639 7.428 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.568 -3.033 5.828 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.635 -3.782 6.905 1.00 0.00 H new ATOM 1129 N LYS A 71 3.201 -2.018 5.746 1.00 0.00 N ATOM 1130 CA LYS A 71 4.456 -2.750 5.760 1.00 0.00 C ATOM 1131 C LYS A 71 5.634 -1.801 5.893 1.00 0.00 C ATOM 1132 O LYS A 71 5.621 -0.698 5.350 1.00 0.00 O ATOM 1133 CB LYS A 71 4.600 -3.584 4.489 1.00 0.00 C ATOM 1134 CG LYS A 71 4.140 -5.016 4.650 1.00 0.00 C ATOM 1135 CD LYS A 71 5.089 -5.799 5.536 1.00 0.00 C ATOM 1136 CE LYS A 71 4.580 -7.208 5.793 1.00 0.00 C ATOM 1137 NZ LYS A 71 5.496 -7.974 6.675 1.00 0.00 N ATOM 0 H LYS A 71 2.938 -1.643 4.834 1.00 0.00 H new ATOM 0 HA LYS A 71 4.449 -3.416 6.623 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.027 -3.115 3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.645 -3.579 4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.139 -5.033 5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.075 -5.492 3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.071 -5.846 5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.215 -5.278 6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.592 -7.159 6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.467 -7.732 4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.114 -8.929 6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.432 -8.042 6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.584 -7.488 7.590 1.00 0.00 H new ATOM 1151 N ASN A 72 6.638 -2.232 6.643 1.00 0.00 N ATOM 1152 CA ASN A 72 7.853 -1.451 6.820 1.00 0.00 C ATOM 1153 C ASN A 72 8.899 -1.944 5.835 1.00 0.00 C ATOM 1154 O ASN A 72 9.489 -3.008 6.024 1.00 0.00 O ATOM 1155 CB ASN A 72 8.387 -1.558 8.260 1.00 0.00 C ATOM 1156 CG ASN A 72 7.486 -0.894 9.296 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.179 -0.946 9.083 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 7.962 -0.344 10.288 1.00 0.00 N flip ATOM 0 H ASN A 72 6.634 -3.122 7.141 1.00 0.00 H new ATOM 0 HA ASN A 72 7.627 -0.401 6.634 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.507 -2.610 8.517 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.377 -1.103 8.306 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.973 -0.321 10.423 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.346 0.089 10.976 1.00 0.00 H new ATOM 1165 N LEU A 73 9.094 -1.194 4.765 1.00 0.00 N ATOM 1166 CA LEU A 73 10.005 -1.597 3.710 1.00 0.00 C ATOM 1167 C LEU A 73 11.341 -0.881 3.854 1.00 0.00 C ATOM 1168 O LEU A 73 11.414 0.338 3.710 1.00 0.00 O ATOM 1169 CB LEU A 73 9.395 -1.300 2.332 1.00 0.00 C ATOM 1170 CG LEU A 73 7.988 -1.869 2.104 1.00 0.00 C ATOM 1171 CD1 LEU A 73 7.570 -1.741 0.652 1.00 0.00 C ATOM 1172 CD2 LEU A 73 7.922 -3.316 2.547 1.00 0.00 C ATOM 0 H LEU A 73 8.631 -0.299 4.604 1.00 0.00 H new ATOM 0 HA LEU A 73 10.173 -2.670 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.359 -0.219 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.059 -1.698 1.565 1.00 0.00 H new ATOM 0 HG LEU A 73 7.291 -1.286 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.569 -2.153 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.569 -0.689 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.271 -2.288 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.917 -3.703 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.639 -3.905 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.163 -3.383 3.608 1.00 0.00 H new ATOM 1184 N PRO A 74 12.407 -1.628 4.171 1.00 0.00 N ATOM 1185 CA PRO A 74 13.754 -1.083 4.279 1.00 0.00 C ATOM 1186 C PRO A 74 14.516 -1.174 2.958 1.00 0.00 C ATOM 1187 O PRO A 74 13.944 -1.522 1.921 1.00 0.00 O ATOM 1188 CB PRO A 74 14.382 -1.997 5.328 1.00 0.00 C ATOM 1189 CG PRO A 74 13.736 -3.330 5.106 1.00 0.00 C ATOM 1190 CD PRO A 74 12.387 -3.070 4.471 1.00 0.00 C ATOM 0 HA PRO A 74 13.769 -0.024 4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 74 15.464 -2.056 5.206 1.00 0.00 H new ATOM 0 HB3 PRO A 74 14.195 -1.629 6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 74 14.353 -3.954 4.459 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.621 -3.864 6.049 1.00 0.00 H new ATOM 0 HD2 PRO A 74 12.250 -3.664 3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.571 -3.326 5.147 1.00 0.00 H new