USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 607 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 64 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 1 ALA N :NH3+ 137:sc= 0.0458 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 72:sc= 0.278 USER MOD Single : A 9 SER OG : rot -87:sc= 0.0119 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -86:sc= 1.06 USER MOD Single : A 25 SER OG : rot 180:sc= 0.347 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc=-0.00397 X(o=-0.004,f=-0.43) USER MOD Single : A 50 ASN : amide:sc= -1.18 K(o=-1.2,f=-1.8) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -70:sc= 0.0732 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.611 K(o=-0.61,f=-3.2) USER MOD Single : A 66 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.9) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= -0.0287 (180deg=-0.212) USER MOD Single : A 77 ASN : amide:sc= -0.863 K(o=-0.86,f=-2.4!) USER MOD Single : A 80 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 58:sc= -2.21! USER MOD Single : A 84 THR OG1 : rot -27:sc= 0.959 USER MOD Single : A 85 THR OG1 : rot 68:sc= 0.65 USER MOD Single : A 86 THR OG1 : rot 160:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0152 K(o=-0.015,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.386 0.564 1.026 1.00 0.00 N ATOM 2 CA ALA A 1 2.464 0.195 0.117 1.00 0.00 C ATOM 3 C ALA A 1 3.266 1.420 -0.308 1.00 0.00 C ATOM 4 O ALA A 1 2.729 2.525 -0.398 1.00 0.00 O ATOM 5 CB ALA A 1 1.904 -0.521 -1.103 1.00 0.00 C ATOM 0 H1 ALA A 1 0.520 0.052 0.763 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.653 0.316 2.000 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.215 1.588 0.964 1.00 0.00 H new ATOM 0 HA ALA A 1 3.136 -0.482 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.720 -0.791 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.381 -1.423 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.209 0.137 -1.624 1.00 0.00 H new ATOM 11 N ILE A 2 4.553 1.218 -0.568 1.00 0.00 N ATOM 12 CA ILE A 2 5.429 2.306 -0.983 1.00 0.00 C ATOM 13 C ILE A 2 5.248 2.622 -2.464 1.00 0.00 C ATOM 14 O ILE A 2 4.977 1.733 -3.271 1.00 0.00 O ATOM 15 CB ILE A 2 6.909 1.972 -0.719 1.00 0.00 C ATOM 16 CG1 ILE A 2 7.130 1.677 0.766 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.801 3.116 -1.175 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.892 0.229 1.137 1.00 0.00 C ATOM 0 H ILE A 2 5.012 0.310 -0.498 1.00 0.00 H new ATOM 0 HA ILE A 2 5.151 3.177 -0.390 1.00 0.00 H new ATOM 0 HB ILE A 2 7.173 1.082 -1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.151 1.949 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.466 2.309 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.844 2.864 -0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.661 3.284 -2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.539 4.022 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.067 0.093 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.863 -0.043 0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.574 -0.408 0.574 1.00 0.00 H new ATOM 30 N SER A 3 5.401 3.895 -2.815 1.00 0.00 N ATOM 31 CA SER A 3 5.253 4.330 -4.199 1.00 0.00 C ATOM 32 C SER A 3 6.258 5.427 -4.535 1.00 0.00 C ATOM 33 O SER A 3 7.201 5.210 -5.297 1.00 0.00 O ATOM 34 CB SER A 3 3.830 4.832 -4.449 1.00 0.00 C ATOM 35 OG SER A 3 3.690 5.336 -5.766 1.00 0.00 O ATOM 0 H SER A 3 5.627 4.643 -2.160 1.00 0.00 H new ATOM 0 HA SER A 3 5.447 3.474 -4.845 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.121 4.019 -4.290 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.585 5.613 -3.730 1.00 0.00 H new ATOM 0 HG SER A 3 2.771 5.649 -5.901 1.00 0.00 H new ATOM 41 N CYS A 4 6.050 6.607 -3.960 1.00 0.00 N ATOM 42 CA CYS A 4 6.936 7.740 -4.197 1.00 0.00 C ATOM 43 C CYS A 4 6.534 8.934 -3.335 1.00 0.00 C ATOM 44 O CYS A 4 7.386 9.631 -2.786 1.00 0.00 O ATOM 45 CB CYS A 4 6.911 8.134 -5.675 1.00 0.00 C ATOM 46 SG CYS A 4 8.548 8.535 -6.366 1.00 0.00 S ATOM 0 H CYS A 4 5.275 6.803 -3.326 1.00 0.00 H new ATOM 0 HA CYS A 4 7.948 7.441 -3.925 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.476 7.317 -6.250 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.255 8.996 -5.799 1.00 0.00 H new ATOM 51 N GLY A 5 5.229 9.163 -3.222 1.00 0.00 N ATOM 52 CA GLY A 5 4.737 10.272 -2.426 1.00 0.00 C ATOM 53 C GLY A 5 5.259 10.241 -1.003 1.00 0.00 C ATOM 54 O GLY A 5 5.500 11.286 -0.400 1.00 0.00 O ATOM 0 H GLY A 5 4.504 8.600 -3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.029 11.211 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.647 10.249 -2.411 1.00 0.00 H new ATOM 58 N ALA A 6 5.433 9.039 -0.464 1.00 0.00 N ATOM 59 CA ALA A 6 5.930 8.876 0.897 1.00 0.00 C ATOM 60 C ALA A 6 7.454 8.908 0.932 1.00 0.00 C ATOM 61 O ALA A 6 8.055 9.231 1.957 1.00 0.00 O ATOM 62 CB ALA A 6 5.414 7.576 1.495 1.00 0.00 C ATOM 0 H ALA A 6 5.237 8.163 -0.949 1.00 0.00 H new ATOM 0 HA ALA A 6 5.561 9.710 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.793 7.467 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.324 7.591 1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.755 6.736 0.889 1.00 0.00 H new ATOM 68 N VAL A 7 8.075 8.570 -0.194 1.00 0.00 N ATOM 69 CA VAL A 7 9.530 8.561 -0.292 1.00 0.00 C ATOM 70 C VAL A 7 10.081 9.977 -0.414 1.00 0.00 C ATOM 71 O VAL A 7 11.088 10.319 0.207 1.00 0.00 O ATOM 72 CB VAL A 7 10.006 7.730 -1.499 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.505 7.485 -1.420 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.245 6.415 -1.573 1.00 0.00 C ATOM 0 H VAL A 7 7.593 8.299 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 7 9.907 8.106 0.624 1.00 0.00 H new ATOM 0 HB VAL A 7 9.802 8.293 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.823 6.897 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.030 8.440 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.737 6.942 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.594 5.841 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.416 5.844 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.179 6.617 -1.680 1.00 0.00 H new ATOM 84 N THR A 8 9.415 10.798 -1.220 1.00 0.00 N ATOM 85 CA THR A 8 9.839 12.178 -1.425 1.00 0.00 C ATOM 86 C THR A 8 9.634 13.009 -0.163 1.00 0.00 C ATOM 87 O THR A 8 10.314 14.013 0.047 1.00 0.00 O ATOM 88 CB THR A 8 9.072 12.834 -2.588 1.00 0.00 C ATOM 89 OG1 THR A 8 9.113 11.986 -3.742 1.00 0.00 O ATOM 90 CG2 THR A 8 9.666 14.192 -2.930 1.00 0.00 C ATOM 0 H THR A 8 8.580 10.531 -1.741 1.00 0.00 H new ATOM 0 HA THR A 8 10.901 12.150 -1.670 1.00 0.00 H new ATOM 0 HB THR A 8 8.037 12.975 -2.278 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.539 11.206 -3.595 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.108 14.636 -3.754 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.608 14.845 -2.059 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.709 14.070 -3.222 1.00 0.00 H new ATOM 98 N SER A 9 8.692 12.584 0.673 1.00 0.00 N ATOM 99 CA SER A 9 8.396 13.291 1.913 1.00 0.00 C ATOM 100 C SER A 9 9.591 13.251 2.861 1.00 0.00 C ATOM 101 O SER A 9 10.040 14.285 3.356 1.00 0.00 O ATOM 102 CB SER A 9 7.170 12.679 2.594 1.00 0.00 C ATOM 103 OG SER A 9 7.210 12.882 3.996 1.00 0.00 O ATOM 0 H SER A 9 8.121 11.754 0.514 1.00 0.00 H new ATOM 0 HA SER A 9 8.185 14.332 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.263 13.124 2.185 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.126 11.611 2.379 1.00 0.00 H new ATOM 0 HG SER A 9 7.718 12.157 4.417 1.00 0.00 H new ATOM 109 N ASP A 10 10.101 12.050 3.109 1.00 0.00 N ATOM 110 CA ASP A 10 11.244 11.873 3.997 1.00 0.00 C ATOM 111 C ASP A 10 12.536 12.308 3.312 1.00 0.00 C ATOM 112 O ASP A 10 13.535 12.596 3.972 1.00 0.00 O ATOM 113 CB ASP A 10 11.354 10.413 4.438 1.00 0.00 C ATOM 114 CG ASP A 10 9.998 9.768 4.647 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.102 10.436 5.205 1.00 0.00 O ATOM 116 OD2 ASP A 10 9.831 8.595 4.251 1.00 0.00 O ATOM 0 H ASP A 10 9.741 11.184 2.708 1.00 0.00 H new ATOM 0 HA ASP A 10 11.090 12.499 4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.909 9.850 3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.926 10.358 5.364 1.00 0.00 H new ATOM 121 N LEU A 11 12.509 12.354 1.984 1.00 0.00 N ATOM 122 CA LEU A 11 13.679 12.753 1.209 1.00 0.00 C ATOM 123 C LEU A 11 13.963 14.242 1.380 1.00 0.00 C ATOM 124 O LEU A 11 15.118 14.666 1.401 1.00 0.00 O ATOM 125 CB LEU A 11 13.469 12.429 -0.271 1.00 0.00 C ATOM 126 CG LEU A 11 13.765 10.989 -0.691 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.074 10.664 -2.006 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.266 10.765 -0.806 1.00 0.00 C ATOM 0 H LEU A 11 11.690 12.120 1.422 1.00 0.00 H new ATOM 0 HA LEU A 11 14.538 12.193 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.435 12.656 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.098 13.095 -0.861 1.00 0.00 H new ATOM 0 HG LEU A 11 13.375 10.320 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.296 9.635 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.997 10.784 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.433 11.340 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.458 9.735 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.679 11.443 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.737 10.956 0.158 1.00 0.00 H new ATOM 140 N SER A 12 12.900 15.032 1.503 1.00 0.00 N ATOM 141 CA SER A 12 13.035 16.474 1.671 1.00 0.00 C ATOM 142 C SER A 12 13.951 16.801 2.847 1.00 0.00 C ATOM 143 O SER A 12 14.967 17.482 2.705 1.00 0.00 O ATOM 144 CB SER A 12 11.663 17.114 1.885 1.00 0.00 C ATOM 145 OG SER A 12 11.081 17.499 0.652 1.00 0.00 O ATOM 0 H SER A 12 11.937 14.697 1.489 1.00 0.00 H new ATOM 0 HA SER A 12 13.480 16.881 0.763 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.006 16.411 2.397 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.762 17.986 2.532 1.00 0.00 H new ATOM 0 HG SER A 12 10.204 17.904 0.817 1.00 0.00 H new ATOM 151 N PRO A 13 13.584 16.304 4.037 1.00 0.00 N ATOM 152 CA PRO A 13 14.358 16.529 5.262 1.00 0.00 C ATOM 153 C PRO A 13 15.688 15.785 5.252 1.00 0.00 C ATOM 154 O PRO A 13 16.632 16.170 5.942 1.00 0.00 O ATOM 155 CB PRO A 13 13.446 15.981 6.363 1.00 0.00 C ATOM 156 CG PRO A 13 12.590 14.973 5.679 1.00 0.00 C ATOM 157 CD PRO A 13 12.385 15.484 4.280 1.00 0.00 C ATOM 0 HA PRO A 13 14.621 17.579 5.391 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.025 15.528 7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.845 16.773 6.810 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.070 13.995 5.670 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.637 14.856 6.195 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.304 14.668 3.562 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.472 16.073 4.197 1.00 0.00 H new ATOM 165 N CYS A 14 15.757 14.716 4.464 1.00 0.00 N ATOM 166 CA CYS A 14 16.972 13.917 4.364 1.00 0.00 C ATOM 167 C CYS A 14 17.948 14.534 3.367 1.00 0.00 C ATOM 168 O CYS A 14 19.132 14.194 3.347 1.00 0.00 O ATOM 169 CB CYS A 14 16.633 12.486 3.943 1.00 0.00 C ATOM 170 SG CYS A 14 15.994 11.445 5.294 1.00 0.00 S ATOM 0 H CYS A 14 14.985 14.384 3.886 1.00 0.00 H new ATOM 0 HA CYS A 14 17.446 13.897 5.345 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.893 12.520 3.143 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.527 12.019 3.530 1.00 0.00 H new ATOM 175 N LEU A 15 17.444 15.444 2.540 1.00 0.00 N ATOM 176 CA LEU A 15 18.271 16.110 1.540 1.00 0.00 C ATOM 177 C LEU A 15 19.340 16.972 2.203 1.00 0.00 C ATOM 178 O LEU A 15 20.517 16.908 1.844 1.00 0.00 O ATOM 179 CB LEU A 15 17.402 16.972 0.622 1.00 0.00 C ATOM 180 CG LEU A 15 16.873 16.287 -0.639 1.00 0.00 C ATOM 181 CD1 LEU A 15 16.044 17.258 -1.465 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.024 15.729 -1.464 1.00 0.00 C ATOM 0 H LEU A 15 16.467 15.737 2.542 1.00 0.00 H new ATOM 0 HA LEU A 15 18.767 15.342 0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.551 17.337 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.981 17.845 0.321 1.00 0.00 H new ATOM 0 HG LEU A 15 16.232 15.458 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.676 16.754 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.199 17.610 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.662 18.107 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.630 15.245 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.690 16.541 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.577 15.001 -0.871 1.00 0.00 H new ATOM 194 N THR A 16 18.924 17.778 3.175 1.00 0.00 N ATOM 195 CA THR A 16 19.845 18.653 3.890 1.00 0.00 C ATOM 196 C THR A 16 21.055 17.878 4.400 1.00 0.00 C ATOM 197 O THR A 16 22.176 18.388 4.400 1.00 0.00 O ATOM 198 CB THR A 16 19.154 19.344 5.080 1.00 0.00 C ATOM 199 OG1 THR A 16 17.845 19.782 4.700 1.00 0.00 O ATOM 200 CG2 THR A 16 19.971 20.533 5.564 1.00 0.00 C ATOM 0 H THR A 16 17.954 17.843 3.485 1.00 0.00 H new ATOM 0 HA THR A 16 20.175 19.412 3.181 1.00 0.00 H new ATOM 0 HB THR A 16 19.073 18.623 5.893 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.412 20.219 5.463 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.463 21.005 6.405 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.957 20.192 5.880 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.079 21.254 4.754 1.00 0.00 H new ATOM 208 N TYR A 17 20.822 16.644 4.833 1.00 0.00 N ATOM 209 CA TYR A 17 21.893 15.799 5.347 1.00 0.00 C ATOM 210 C TYR A 17 22.603 15.068 4.211 1.00 0.00 C ATOM 211 O TYR A 17 23.821 14.883 4.241 1.00 0.00 O ATOM 212 CB TYR A 17 21.337 14.788 6.350 1.00 0.00 C ATOM 213 CG TYR A 17 22.403 13.956 7.026 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.370 14.549 7.828 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.442 12.576 6.864 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.347 13.793 8.447 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.414 11.812 7.481 1.00 0.00 C ATOM 218 CZ TYR A 17 24.365 12.425 8.270 1.00 0.00 C ATOM 219 OH TYR A 17 25.335 11.668 8.886 1.00 0.00 O ATOM 0 H TYR A 17 19.901 16.207 4.838 1.00 0.00 H new ATOM 0 HA TYR A 17 22.617 16.440 5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.767 15.320 7.111 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.641 14.124 5.836 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.358 15.620 7.970 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.700 12.093 6.245 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.092 14.270 9.066 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.429 10.741 7.346 1.00 0.00 H new ATOM 0 HH TYR A 17 25.206 10.723 8.660 1.00 0.00 H new ATOM 229 N LEU A 18 21.834 14.655 3.210 1.00 0.00 N ATOM 230 CA LEU A 18 22.387 13.945 2.063 1.00 0.00 C ATOM 231 C LEU A 18 23.210 14.883 1.186 1.00 0.00 C ATOM 232 O LEU A 18 23.905 14.445 0.269 1.00 0.00 O ATOM 233 CB LEU A 18 21.264 13.313 1.239 1.00 0.00 C ATOM 234 CG LEU A 18 20.781 11.939 1.705 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.636 11.451 0.831 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.927 10.938 1.693 1.00 0.00 C ATOM 0 H LEU A 18 20.825 14.800 3.170 1.00 0.00 H new ATOM 0 HA LEU A 18 23.043 13.158 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.413 13.994 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.603 13.226 0.207 1.00 0.00 H new ATOM 0 HG LEU A 18 20.416 12.031 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.305 10.472 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.807 12.156 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.974 11.375 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.565 9.966 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.322 10.849 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.716 11.281 2.362 1.00 0.00 H new ATOM 248 N THR A 19 23.129 16.178 1.476 1.00 0.00 N ATOM 249 CA THR A 19 23.866 17.179 0.715 1.00 0.00 C ATOM 250 C THR A 19 25.195 17.511 1.386 1.00 0.00 C ATOM 251 O THR A 19 26.067 18.134 0.782 1.00 0.00 O ATOM 252 CB THR A 19 23.049 18.475 0.552 1.00 0.00 C ATOM 253 OG1 THR A 19 22.336 18.760 1.760 1.00 0.00 O ATOM 254 CG2 THR A 19 22.069 18.354 -0.605 1.00 0.00 C ATOM 0 H THR A 19 22.560 16.558 2.233 1.00 0.00 H new ATOM 0 HA THR A 19 24.055 16.751 -0.270 1.00 0.00 H new ATOM 0 HB THR A 19 23.740 19.290 0.338 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.480 18.283 1.755 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.503 19.281 -0.701 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.617 18.166 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.383 17.528 -0.416 1.00 0.00 H new ATOM 262 N GLY A 20 25.342 17.089 2.638 1.00 0.00 N ATOM 263 CA GLY A 20 26.568 17.351 3.370 1.00 0.00 C ATOM 264 C GLY A 20 26.368 18.341 4.500 1.00 0.00 C ATOM 265 O GLY A 20 27.334 18.817 5.095 1.00 0.00 O ATOM 0 H GLY A 20 24.634 16.571 3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 20 26.953 16.415 3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.322 17.735 2.684 1.00 0.00 H new ATOM 269 N GLY A 21 25.110 18.652 4.797 1.00 0.00 N ATOM 270 CA GLY A 21 24.810 19.592 5.862 1.00 0.00 C ATOM 271 C GLY A 21 24.688 18.917 7.213 1.00 0.00 C ATOM 272 O GLY A 21 25.097 17.770 7.398 1.00 0.00 O ATOM 0 H GLY A 21 24.293 18.270 4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.594 20.348 5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.879 20.111 5.633 1.00 0.00 H new ATOM 276 N PRO A 22 24.114 19.636 8.189 1.00 0.00 N ATOM 277 CA PRO A 22 23.926 19.120 9.548 1.00 0.00 C ATOM 278 C PRO A 22 22.875 18.017 9.609 1.00 0.00 C ATOM 279 O PRO A 22 21.836 18.099 8.956 1.00 0.00 O ATOM 280 CB PRO A 22 23.458 20.348 10.333 1.00 0.00 C ATOM 281 CG PRO A 22 22.832 21.234 9.312 1.00 0.00 C ATOM 282 CD PRO A 22 23.603 21.009 8.040 1.00 0.00 C ATOM 0 HA PRO A 22 24.836 18.667 9.941 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.744 20.073 11.110 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.293 20.843 10.828 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.778 20.991 9.178 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.881 22.279 9.619 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.966 21.107 7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.413 21.729 7.928 1.00 0.00 H new ATOM 290 N GLY A 23 23.154 16.983 10.398 1.00 0.00 N ATOM 291 CA GLY A 23 22.222 15.879 10.530 1.00 0.00 C ATOM 292 C GLY A 23 22.883 14.624 11.065 1.00 0.00 C ATOM 293 O GLY A 23 23.996 14.658 11.589 1.00 0.00 O ATOM 0 H GLY A 23 24.008 16.891 10.947 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.410 16.171 11.196 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.776 15.665 9.558 1.00 0.00 H new ATOM 297 N PRO A 24 22.188 13.483 10.936 1.00 0.00 N ATOM 298 CA PRO A 24 20.862 13.431 10.314 1.00 0.00 C ATOM 299 C PRO A 24 19.793 14.100 11.171 1.00 0.00 C ATOM 300 O PRO A 24 19.750 13.912 12.387 1.00 0.00 O ATOM 301 CB PRO A 24 20.587 11.930 10.192 1.00 0.00 C ATOM 302 CG PRO A 24 21.412 11.305 11.263 1.00 0.00 C ATOM 303 CD PRO A 24 22.644 12.158 11.388 1.00 0.00 C ATOM 0 HA PRO A 24 20.837 13.962 9.363 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.528 11.709 10.328 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.867 11.555 9.207 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.865 11.269 12.205 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.673 10.278 11.006 1.00 0.00 H new ATOM 0 HD2 PRO A 24 23.010 12.187 12.414 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.459 11.781 10.770 1.00 0.00 H new ATOM 311 N SER A 25 18.930 14.881 10.530 1.00 0.00 N ATOM 312 CA SER A 25 17.862 15.581 11.234 1.00 0.00 C ATOM 313 C SER A 25 16.884 14.592 11.860 1.00 0.00 C ATOM 314 O SER A 25 16.842 13.413 11.506 1.00 0.00 O ATOM 315 CB SER A 25 17.118 16.515 10.278 1.00 0.00 C ATOM 316 OG SER A 25 15.987 15.873 9.715 1.00 0.00 O ATOM 0 H SER A 25 18.949 15.045 9.523 1.00 0.00 H new ATOM 0 HA SER A 25 18.313 16.173 12.031 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.803 17.411 10.812 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.790 16.837 9.483 1.00 0.00 H new ATOM 0 HG SER A 25 15.528 16.491 9.109 1.00 0.00 H new ATOM 322 N PRO A 26 16.078 15.081 12.814 1.00 0.00 N ATOM 323 CA PRO A 26 15.086 14.257 13.511 1.00 0.00 C ATOM 324 C PRO A 26 13.929 13.853 12.603 1.00 0.00 C ATOM 325 O PRO A 26 13.465 12.714 12.645 1.00 0.00 O ATOM 326 CB PRO A 26 14.590 15.172 14.633 1.00 0.00 C ATOM 327 CG PRO A 26 14.832 16.553 14.131 1.00 0.00 C ATOM 328 CD PRO A 26 16.074 16.475 13.287 1.00 0.00 C ATOM 0 HA PRO A 26 15.512 13.318 13.865 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.533 15.006 14.841 1.00 0.00 H new ATOM 0 HB3 PRO A 26 15.130 14.988 15.562 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.984 16.910 13.546 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.965 17.251 14.958 1.00 0.00 H new ATOM 0 HD2 PRO A 26 16.041 17.181 12.457 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.968 16.705 13.866 1.00 0.00 H new ATOM 336 N GLN A 27 13.469 14.793 11.784 1.00 0.00 N ATOM 337 CA GLN A 27 12.365 14.533 10.867 1.00 0.00 C ATOM 338 C GLN A 27 12.768 13.515 9.806 1.00 0.00 C ATOM 339 O GLN A 27 11.956 12.695 9.377 1.00 0.00 O ATOM 340 CB GLN A 27 11.913 15.833 10.199 1.00 0.00 C ATOM 341 CG GLN A 27 10.866 16.595 10.995 1.00 0.00 C ATOM 342 CD GLN A 27 10.731 18.038 10.551 1.00 0.00 C ATOM 343 OE1 GLN A 27 10.774 18.339 9.358 1.00 0.00 O ATOM 344 NE2 GLN A 27 10.566 18.940 11.511 1.00 0.00 N ATOM 0 H GLN A 27 13.843 15.741 11.736 1.00 0.00 H new ATOM 0 HA GLN A 27 11.536 14.121 11.443 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.781 16.475 10.048 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.511 15.604 9.212 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.903 16.096 10.892 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.128 16.567 12.053 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.536 18.646 12.487 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.469 19.927 11.272 1.00 0.00 H new ATOM 353 N CYS A 28 14.027 13.573 9.384 1.00 0.00 N ATOM 354 CA CYS A 28 14.538 12.657 8.372 1.00 0.00 C ATOM 355 C CYS A 28 14.545 11.222 8.891 1.00 0.00 C ATOM 356 O CYS A 28 14.042 10.310 8.234 1.00 0.00 O ATOM 357 CB CYS A 28 15.952 13.066 7.952 1.00 0.00 C ATOM 358 SG CYS A 28 16.845 11.788 7.009 1.00 0.00 S ATOM 0 H CYS A 28 14.712 14.246 9.728 1.00 0.00 H new ATOM 0 HA CYS A 28 13.879 12.708 7.505 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.893 13.972 7.350 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.528 13.313 8.844 1.00 0.00 H new ATOM 363 N CYS A 29 15.118 11.029 10.074 1.00 0.00 N ATOM 364 CA CYS A 29 15.190 9.706 10.683 1.00 0.00 C ATOM 365 C CYS A 29 13.810 9.058 10.742 1.00 0.00 C ATOM 366 O CYS A 29 13.632 7.914 10.325 1.00 0.00 O ATOM 367 CB CYS A 29 15.782 9.801 12.090 1.00 0.00 C ATOM 368 SG CYS A 29 17.581 10.088 12.123 1.00 0.00 S ATOM 0 H CYS A 29 15.540 11.773 10.631 1.00 0.00 H new ATOM 0 HA CYS A 29 15.837 9.084 10.065 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.286 10.609 12.627 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.562 8.879 12.628 1.00 0.00 H new ATOM 373 N GLY A 30 12.836 9.798 11.263 1.00 0.00 N ATOM 374 CA GLY A 30 11.485 9.280 11.367 1.00 0.00 C ATOM 375 C GLY A 30 10.951 8.782 10.038 1.00 0.00 C ATOM 376 O GLY A 30 10.367 7.702 9.961 1.00 0.00 O ATOM 0 H GLY A 30 12.959 10.747 11.615 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.466 8.465 12.091 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.828 10.061 11.749 1.00 0.00 H new ATOM 380 N GLY A 31 11.150 9.573 8.988 1.00 0.00 N ATOM 381 CA GLY A 31 10.676 9.191 7.671 1.00 0.00 C ATOM 382 C GLY A 31 11.425 7.999 7.109 1.00 0.00 C ATOM 383 O GLY A 31 10.825 7.105 6.511 1.00 0.00 O ATOM 0 H GLY A 31 11.631 10.472 9.026 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.613 8.956 7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.782 10.036 6.991 1.00 0.00 H new ATOM 387 N VAL A 32 12.740 7.985 7.300 1.00 0.00 N ATOM 388 CA VAL A 32 13.573 6.893 6.807 1.00 0.00 C ATOM 389 C VAL A 32 13.069 5.546 7.313 1.00 0.00 C ATOM 390 O VAL A 32 12.724 4.664 6.526 1.00 0.00 O ATOM 391 CB VAL A 32 15.042 7.072 7.233 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.886 5.907 6.740 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.589 8.394 6.715 1.00 0.00 C ATOM 0 H VAL A 32 13.252 8.717 7.792 1.00 0.00 H new ATOM 0 HA VAL A 32 13.513 6.915 5.719 1.00 0.00 H new ATOM 0 HB VAL A 32 15.088 7.088 8.322 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.921 6.051 7.050 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.506 4.977 7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.837 5.857 5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.628 8.504 7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.531 8.410 5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.000 9.216 7.122 1.00 0.00 H new ATOM 403 N LYS A 33 13.028 5.394 8.632 1.00 0.00 N ATOM 404 CA LYS A 33 12.565 4.155 9.246 1.00 0.00 C ATOM 405 C LYS A 33 11.162 3.800 8.762 1.00 0.00 C ATOM 406 O LYS A 33 10.766 2.634 8.776 1.00 0.00 O ATOM 407 CB LYS A 33 12.573 4.282 10.771 1.00 0.00 C ATOM 408 CG LYS A 33 13.939 4.050 11.393 1.00 0.00 C ATOM 409 CD LYS A 33 13.933 4.355 12.882 1.00 0.00 C ATOM 410 CE LYS A 33 14.523 3.208 13.688 1.00 0.00 C ATOM 411 NZ LYS A 33 14.173 3.307 15.132 1.00 0.00 N ATOM 0 H LYS A 33 13.310 6.114 9.297 1.00 0.00 H new ATOM 0 HA LYS A 33 13.246 3.356 8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.222 5.276 11.046 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.866 3.567 11.191 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.241 3.015 11.234 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.678 4.678 10.895 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.503 5.265 13.070 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.912 4.545 13.211 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.160 2.260 13.290 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.607 3.206 13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.594 2.507 15.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.541 4.200 15.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.139 3.283 15.241 1.00 0.00 H new ATOM 425 N LYS A 34 10.415 4.812 8.334 1.00 0.00 N ATOM 426 CA LYS A 34 9.057 4.607 7.844 1.00 0.00 C ATOM 427 C LYS A 34 9.069 3.915 6.484 1.00 0.00 C ATOM 428 O LYS A 34 8.285 2.998 6.237 1.00 0.00 O ATOM 429 CB LYS A 34 8.323 5.946 7.740 1.00 0.00 C ATOM 430 CG LYS A 34 6.810 5.813 7.765 1.00 0.00 C ATOM 431 CD LYS A 34 6.157 6.674 6.697 1.00 0.00 C ATOM 432 CE LYS A 34 4.739 7.064 7.085 1.00 0.00 C ATOM 433 NZ LYS A 34 3.917 7.423 5.896 1.00 0.00 N ATOM 0 H LYS A 34 10.727 5.783 8.317 1.00 0.00 H new ATOM 0 HA LYS A 34 8.533 3.967 8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.637 6.588 8.563 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.621 6.443 6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.533 4.770 7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.435 6.102 8.747 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.752 7.573 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.141 6.132 5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.267 6.237 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.770 7.909 7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.958 7.683 6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.353 8.228 5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.866 6.609 5.251 1.00 0.00 H new ATOM 447 N LEU A 35 9.962 4.359 5.607 1.00 0.00 N ATOM 448 CA LEU A 35 10.077 3.781 4.273 1.00 0.00 C ATOM 449 C LEU A 35 10.541 2.329 4.346 1.00 0.00 C ATOM 450 O LEU A 35 10.172 1.505 3.508 1.00 0.00 O ATOM 451 CB LEU A 35 11.052 4.597 3.424 1.00 0.00 C ATOM 452 CG LEU A 35 11.022 4.327 1.919 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.631 5.492 1.155 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.755 3.033 1.595 1.00 0.00 C ATOM 0 H LEU A 35 10.617 5.118 5.796 1.00 0.00 H new ATOM 0 HA LEU A 35 9.091 3.805 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.846 5.655 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.063 4.409 3.786 1.00 0.00 H new ATOM 0 HG LEU A 35 9.982 4.220 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.601 5.282 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.064 6.399 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.666 5.631 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.724 2.857 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.793 3.111 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.274 2.203 2.113 1.00 0.00 H new ATOM 466 N LEU A 36 11.349 2.022 5.354 1.00 0.00 N ATOM 467 CA LEU A 36 11.862 0.669 5.539 1.00 0.00 C ATOM 468 C LEU A 36 10.874 -0.184 6.328 1.00 0.00 C ATOM 469 O LEU A 36 10.790 -1.396 6.131 1.00 0.00 O ATOM 470 CB LEU A 36 13.210 0.707 6.260 1.00 0.00 C ATOM 471 CG LEU A 36 14.207 1.756 5.764 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.444 1.777 6.649 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.589 1.487 4.316 1.00 0.00 C ATOM 0 H LEU A 36 11.663 2.692 6.056 1.00 0.00 H new ATOM 0 HA LEU A 36 11.997 0.220 4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 36 13.028 0.881 7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.674 -0.276 6.173 1.00 0.00 H new ATOM 0 HG LEU A 36 13.731 2.735 5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.142 2.529 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.156 2.019 7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.922 0.798 6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.299 2.243 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 36 15.046 0.500 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.697 1.524 3.691 1.00 0.00 H new ATOM 485 N ALA A 37 10.128 0.457 7.222 1.00 0.00 N ATOM 486 CA ALA A 37 9.144 -0.242 8.038 1.00 0.00 C ATOM 487 C ALA A 37 7.907 -0.599 7.220 1.00 0.00 C ATOM 488 O ALA A 37 7.246 -1.603 7.483 1.00 0.00 O ATOM 489 CB ALA A 37 8.757 0.606 9.241 1.00 0.00 C ATOM 0 H ALA A 37 10.187 1.460 7.399 1.00 0.00 H new ATOM 0 HA ALA A 37 9.594 -1.170 8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.021 0.071 9.842 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.642 0.806 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.330 1.549 8.899 1.00 0.00 H new ATOM 495 N ALA A 38 7.599 0.231 6.229 1.00 0.00 N ATOM 496 CA ALA A 38 6.442 0.002 5.372 1.00 0.00 C ATOM 497 C ALA A 38 6.761 -1.009 4.277 1.00 0.00 C ATOM 498 O ALA A 38 5.894 -1.375 3.485 1.00 0.00 O ATOM 499 CB ALA A 38 5.970 1.313 4.762 1.00 0.00 C ATOM 0 H ALA A 38 8.135 1.068 6.000 1.00 0.00 H new ATOM 0 HA ALA A 38 5.641 -0.409 5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.106 1.127 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.692 2.005 5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.773 1.747 4.167 1.00 0.00 H new ATOM 505 N ALA A 39 8.012 -1.457 4.238 1.00 0.00 N ATOM 506 CA ALA A 39 8.445 -2.428 3.240 1.00 0.00 C ATOM 507 C ALA A 39 9.067 -3.654 3.900 1.00 0.00 C ATOM 508 O ALA A 39 10.236 -3.639 4.282 1.00 0.00 O ATOM 509 CB ALA A 39 9.432 -1.788 2.275 1.00 0.00 C ATOM 0 H ALA A 39 8.743 -1.163 4.886 1.00 0.00 H new ATOM 0 HA ALA A 39 7.567 -2.754 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.747 -2.524 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.955 -0.948 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.302 -1.433 2.827 1.00 0.00 H new ATOM 515 N ASN A 40 8.276 -4.714 4.033 1.00 0.00 N ATOM 516 CA ASN A 40 8.749 -5.948 4.648 1.00 0.00 C ATOM 517 C ASN A 40 9.124 -6.977 3.586 1.00 0.00 C ATOM 518 O ASN A 40 10.017 -7.800 3.790 1.00 0.00 O ATOM 519 CB ASN A 40 7.677 -6.523 5.576 1.00 0.00 C ATOM 520 CG ASN A 40 7.205 -5.518 6.608 1.00 0.00 C ATOM 521 OD1 ASN A 40 6.172 -4.871 6.434 1.00 0.00 O ATOM 522 ND2 ASN A 40 7.963 -5.381 7.690 1.00 0.00 N ATOM 0 H ASN A 40 7.305 -4.743 3.723 1.00 0.00 H new ATOM 0 HA ASN A 40 9.639 -5.715 5.232 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.826 -6.856 4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.074 -7.402 6.084 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.697 -4.719 8.419 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.811 -5.938 7.792 1.00 0.00 H new ATOM 529 N THR A 41 8.435 -6.925 2.450 1.00 0.00 N ATOM 530 CA THR A 41 8.694 -7.852 1.356 1.00 0.00 C ATOM 531 C THR A 41 9.650 -7.244 0.336 1.00 0.00 C ATOM 532 O THR A 41 10.213 -6.171 0.558 1.00 0.00 O ATOM 533 CB THR A 41 7.390 -8.258 0.643 1.00 0.00 C ATOM 534 OG1 THR A 41 6.862 -7.143 -0.084 1.00 0.00 O ATOM 535 CG2 THR A 41 6.357 -8.752 1.644 1.00 0.00 C ATOM 0 H THR A 41 7.693 -6.250 2.264 1.00 0.00 H new ATOM 0 HA THR A 41 9.151 -8.739 1.794 1.00 0.00 H new ATOM 0 HB THR A 41 7.618 -9.068 -0.050 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.034 -7.409 -0.536 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.445 -9.033 1.117 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.751 -9.619 2.175 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.134 -7.959 2.358 1.00 0.00 H new ATOM 543 N THR A 42 9.831 -7.937 -0.785 1.00 0.00 N ATOM 544 CA THR A 42 10.719 -7.465 -1.840 1.00 0.00 C ATOM 545 C THR A 42 10.025 -6.436 -2.724 1.00 0.00 C ATOM 546 O THR A 42 10.553 -5.357 -2.993 1.00 0.00 O ATOM 547 CB THR A 42 11.215 -8.629 -2.718 1.00 0.00 C ATOM 548 OG1 THR A 42 11.232 -9.843 -1.959 1.00 0.00 O ATOM 549 CG2 THR A 42 12.608 -8.344 -3.259 1.00 0.00 C ATOM 0 H THR A 42 9.374 -8.827 -0.985 1.00 0.00 H new ATOM 0 HA THR A 42 11.574 -7.000 -1.349 1.00 0.00 H new ATOM 0 HB THR A 42 10.531 -8.737 -3.560 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.547 -10.578 -2.525 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.937 -9.180 -3.876 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.586 -7.436 -3.861 1.00 0.00 H new ATOM 0 HG23 THR A 42 13.301 -8.212 -2.428 1.00 0.00 H new ATOM 557 N PRO A 43 8.813 -6.774 -3.187 1.00 0.00 N ATOM 558 CA PRO A 43 8.020 -5.891 -4.048 1.00 0.00 C ATOM 559 C PRO A 43 7.950 -4.466 -3.509 1.00 0.00 C ATOM 560 O PRO A 43 8.132 -3.501 -4.252 1.00 0.00 O ATOM 561 CB PRO A 43 6.632 -6.536 -4.036 1.00 0.00 C ATOM 562 CG PRO A 43 6.886 -7.976 -3.750 1.00 0.00 C ATOM 563 CD PRO A 43 8.122 -8.044 -2.907 1.00 0.00 C ATOM 0 HA PRO A 43 8.453 -5.797 -5.044 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.994 -6.088 -3.275 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.127 -6.406 -4.993 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.039 -8.421 -3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.020 -8.535 -4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.879 -8.142 -1.849 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.740 -8.902 -3.173 1.00 0.00 H new ATOM 571 N ASP A 44 7.685 -4.341 -2.213 1.00 0.00 N ATOM 572 CA ASP A 44 7.593 -3.034 -1.574 1.00 0.00 C ATOM 573 C ASP A 44 8.938 -2.316 -1.608 1.00 0.00 C ATOM 574 O ASP A 44 9.024 -1.155 -2.009 1.00 0.00 O ATOM 575 CB ASP A 44 7.116 -3.181 -0.128 1.00 0.00 C ATOM 576 CG ASP A 44 5.606 -3.120 -0.008 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.925 -3.146 -1.054 1.00 0.00 O ATOM 578 OD2 ASP A 44 5.105 -3.046 1.134 1.00 0.00 O ATOM 0 H ASP A 44 7.530 -5.129 -1.585 1.00 0.00 H new ATOM 0 HA ASP A 44 6.869 -2.437 -2.128 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.472 -4.130 0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.558 -2.391 0.480 1.00 0.00 H new ATOM 583 N ARG A 45 9.987 -3.014 -1.184 1.00 0.00 N ATOM 584 CA ARG A 45 11.328 -2.442 -1.164 1.00 0.00 C ATOM 585 C ARG A 45 11.779 -2.065 -2.571 1.00 0.00 C ATOM 586 O ARG A 45 12.601 -1.166 -2.749 1.00 0.00 O ATOM 587 CB ARG A 45 12.318 -3.432 -0.548 1.00 0.00 C ATOM 588 CG ARG A 45 12.202 -3.549 0.963 1.00 0.00 C ATOM 589 CD ARG A 45 13.556 -3.799 1.609 1.00 0.00 C ATOM 590 NE ARG A 45 13.807 -5.223 1.820 1.00 0.00 N ATOM 591 CZ ARG A 45 13.311 -5.913 2.840 1.00 0.00 C ATOM 592 NH1 ARG A 45 12.540 -5.314 3.737 1.00 0.00 N ATOM 593 NH2 ARG A 45 13.585 -7.206 2.964 1.00 0.00 N ATOM 0 H ARG A 45 9.934 -3.976 -0.850 1.00 0.00 H new ATOM 0 HA ARG A 45 11.301 -1.538 -0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.161 -4.414 -0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.332 -3.125 -0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.768 -2.634 1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.522 -4.363 1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 45 14.341 -3.382 0.978 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.604 -3.277 2.565 1.00 0.00 H new ATOM 0 HE ARG A 45 14.396 -5.714 1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.327 -4.321 3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.160 -5.846 4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.177 -7.670 2.275 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.203 -7.735 3.748 1.00 0.00 H new ATOM 607 N GLN A 46 11.235 -2.757 -3.567 1.00 0.00 N ATOM 608 CA GLN A 46 11.584 -2.494 -4.959 1.00 0.00 C ATOM 609 C GLN A 46 11.051 -1.137 -5.406 1.00 0.00 C ATOM 610 O GLN A 46 11.779 -0.336 -5.991 1.00 0.00 O ATOM 611 CB GLN A 46 11.028 -3.597 -5.862 1.00 0.00 C ATOM 612 CG GLN A 46 11.991 -4.755 -6.070 1.00 0.00 C ATOM 613 CD GLN A 46 11.757 -5.480 -7.381 1.00 0.00 C ATOM 614 OE1 GLN A 46 10.660 -5.440 -7.939 1.00 0.00 O ATOM 615 NE2 GLN A 46 12.790 -6.148 -7.881 1.00 0.00 N ATOM 0 H GLN A 46 10.552 -3.503 -3.437 1.00 0.00 H new ATOM 0 HA GLN A 46 12.671 -2.481 -5.040 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.103 -3.978 -5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.774 -3.168 -6.831 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.014 -4.381 -6.044 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.888 -5.461 -5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.681 -6.154 -7.385 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.692 -6.655 -8.761 1.00 0.00 H new ATOM 624 N ALA A 47 9.775 -0.887 -5.128 1.00 0.00 N ATOM 625 CA ALA A 47 9.146 0.374 -5.501 1.00 0.00 C ATOM 626 C ALA A 47 9.890 1.559 -4.896 1.00 0.00 C ATOM 627 O ALA A 47 10.233 2.512 -5.596 1.00 0.00 O ATOM 628 CB ALA A 47 7.688 0.385 -5.064 1.00 0.00 C ATOM 0 H ALA A 47 9.158 -1.541 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 47 9.190 0.467 -6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.230 1.332 -5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.157 -0.435 -5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.632 0.265 -3.982 1.00 0.00 H new ATOM 634 N ALA A 48 10.136 1.494 -3.591 1.00 0.00 N ATOM 635 CA ALA A 48 10.841 2.562 -2.893 1.00 0.00 C ATOM 636 C ALA A 48 12.255 2.734 -3.438 1.00 0.00 C ATOM 637 O ALA A 48 12.648 3.830 -3.838 1.00 0.00 O ATOM 638 CB ALA A 48 10.880 2.279 -1.398 1.00 0.00 C ATOM 0 H ALA A 48 9.858 0.713 -2.997 1.00 0.00 H new ATOM 0 HA ALA A 48 10.299 3.493 -3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.409 3.084 -0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.862 2.214 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.396 1.336 -1.220 1.00 0.00 H new ATOM 644 N CYS A 49 13.016 1.645 -3.449 1.00 0.00 N ATOM 645 CA CYS A 49 14.387 1.675 -3.944 1.00 0.00 C ATOM 646 C CYS A 49 14.463 2.381 -5.295 1.00 0.00 C ATOM 647 O CYS A 49 15.434 3.077 -5.589 1.00 0.00 O ATOM 648 CB CYS A 49 14.938 0.253 -4.068 1.00 0.00 C ATOM 649 SG CYS A 49 15.756 -0.361 -2.560 1.00 0.00 S ATOM 0 H CYS A 49 12.706 0.730 -3.121 1.00 0.00 H new ATOM 0 HA CYS A 49 14.993 2.231 -3.229 1.00 0.00 H new ATOM 0 HB2 CYS A 49 14.121 -0.421 -4.325 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.649 0.221 -4.893 1.00 0.00 H new ATOM 654 N ASN A 50 13.431 2.197 -6.111 1.00 0.00 N ATOM 655 CA ASN A 50 13.380 2.816 -7.431 1.00 0.00 C ATOM 656 C ASN A 50 13.316 4.336 -7.317 1.00 0.00 C ATOM 657 O ASN A 50 14.154 5.047 -7.872 1.00 0.00 O ATOM 658 CB ASN A 50 12.170 2.300 -8.212 1.00 0.00 C ATOM 659 CG ASN A 50 12.257 0.813 -8.498 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.348 0.255 -8.613 1.00 0.00 O ATOM 661 ND2 ASN A 50 11.104 0.165 -8.612 1.00 0.00 N ATOM 0 H ASN A 50 12.619 1.624 -5.882 1.00 0.00 H new ATOM 0 HA ASN A 50 14.291 2.548 -7.966 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.261 2.506 -7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.090 2.844 -9.153 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.099 -0.837 -8.803 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.223 0.669 -8.509 1.00 0.00 H new ATOM 668 N CYS A 51 12.316 4.828 -6.593 1.00 0.00 N ATOM 669 CA CYS A 51 12.141 6.263 -6.405 1.00 0.00 C ATOM 670 C CYS A 51 13.311 6.856 -5.626 1.00 0.00 C ATOM 671 O CYS A 51 13.641 8.033 -5.780 1.00 0.00 O ATOM 672 CB CYS A 51 10.829 6.546 -5.670 1.00 0.00 C ATOM 673 SG CYS A 51 9.397 6.787 -6.770 1.00 0.00 S ATOM 0 H CYS A 51 11.614 4.253 -6.127 1.00 0.00 H new ATOM 0 HA CYS A 51 12.107 6.732 -7.389 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.618 5.718 -4.993 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.955 7.437 -5.054 1.00 0.00 H new ATOM 678 N LEU A 52 13.936 6.034 -4.790 1.00 0.00 N ATOM 679 CA LEU A 52 15.070 6.476 -3.987 1.00 0.00 C ATOM 680 C LEU A 52 16.324 6.616 -4.845 1.00 0.00 C ATOM 681 O LEU A 52 16.962 7.668 -4.864 1.00 0.00 O ATOM 682 CB LEU A 52 15.327 5.490 -2.846 1.00 0.00 C ATOM 683 CG LEU A 52 14.591 5.774 -1.536 1.00 0.00 C ATOM 684 CD1 LEU A 52 14.815 4.644 -0.543 1.00 0.00 C ATOM 685 CD2 LEU A 52 15.043 7.102 -0.946 1.00 0.00 C ATOM 0 H LEU A 52 13.676 5.058 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 52 14.828 7.453 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.051 4.492 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.398 5.472 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 52 13.524 5.839 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.284 4.863 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.441 3.711 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.881 4.547 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.508 7.287 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.114 7.067 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.830 7.905 -1.652 1.00 0.00 H new ATOM 697 N LYS A 53 16.670 5.548 -5.556 1.00 0.00 N ATOM 698 CA LYS A 53 17.844 5.551 -6.420 1.00 0.00 C ATOM 699 C LYS A 53 17.835 6.763 -7.346 1.00 0.00 C ATOM 700 O LYS A 53 18.869 7.393 -7.570 1.00 0.00 O ATOM 701 CB LYS A 53 17.898 4.264 -7.247 1.00 0.00 C ATOM 702 CG LYS A 53 19.310 3.812 -7.576 1.00 0.00 C ATOM 703 CD LYS A 53 19.548 2.373 -7.151 1.00 0.00 C ATOM 704 CE LYS A 53 18.603 1.418 -7.863 1.00 0.00 C ATOM 705 NZ LYS A 53 17.745 0.668 -6.903 1.00 0.00 N ATOM 0 H LYS A 53 16.153 4.669 -5.551 1.00 0.00 H new ATOM 0 HA LYS A 53 18.730 5.606 -5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.389 3.470 -6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.348 4.415 -8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.484 3.909 -8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.027 4.463 -7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 53 20.579 2.095 -7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 53 19.413 2.284 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.972 1.978 -8.553 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.181 0.713 -8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.115 0.028 -7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.346 0.113 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.174 1.339 -6.350 1.00 0.00 H new ATOM 719 N SER A 54 16.662 7.084 -7.881 1.00 0.00 N ATOM 720 CA SER A 54 16.519 8.220 -8.785 1.00 0.00 C ATOM 721 C SER A 54 16.605 9.537 -8.021 1.00 0.00 C ATOM 722 O SER A 54 17.091 10.540 -8.543 1.00 0.00 O ATOM 723 CB SER A 54 15.188 8.138 -9.535 1.00 0.00 C ATOM 724 OG SER A 54 15.269 8.787 -10.792 1.00 0.00 O ATOM 0 H SER A 54 15.797 6.574 -7.705 1.00 0.00 H new ATOM 0 HA SER A 54 17.336 8.184 -9.505 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.912 7.093 -9.679 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.401 8.596 -8.936 1.00 0.00 H new ATOM 0 HG SER A 54 14.406 8.719 -11.252 1.00 0.00 H new ATOM 730 N ALA A 55 16.129 9.526 -6.780 1.00 0.00 N ATOM 731 CA ALA A 55 16.154 10.718 -5.942 1.00 0.00 C ATOM 732 C ALA A 55 17.582 11.094 -5.563 1.00 0.00 C ATOM 733 O ALA A 55 18.026 12.214 -5.812 1.00 0.00 O ATOM 734 CB ALA A 55 15.313 10.502 -4.692 1.00 0.00 C ATOM 0 H ALA A 55 15.722 8.705 -6.333 1.00 0.00 H new ATOM 0 HA ALA A 55 15.730 11.543 -6.514 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.341 11.400 -4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.283 10.290 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.712 9.661 -4.126 1.00 0.00 H new ATOM 740 N ALA A 56 18.296 10.150 -4.958 1.00 0.00 N ATOM 741 CA ALA A 56 19.675 10.382 -4.546 1.00 0.00 C ATOM 742 C ALA A 56 20.580 10.600 -5.754 1.00 0.00 C ATOM 743 O ALA A 56 21.649 11.199 -5.641 1.00 0.00 O ATOM 744 CB ALA A 56 20.179 9.214 -3.710 1.00 0.00 C ATOM 0 H ALA A 56 17.942 9.218 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 56 19.700 11.287 -3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.210 9.400 -3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.556 9.106 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.133 8.298 -4.299 1.00 0.00 H new ATOM 750 N GLY A 57 20.144 10.110 -6.910 1.00 0.00 N ATOM 751 CA GLY A 57 20.928 10.261 -8.122 1.00 0.00 C ATOM 752 C GLY A 57 21.085 11.711 -8.534 1.00 0.00 C ATOM 753 O GLY A 57 21.962 12.046 -9.330 1.00 0.00 O ATOM 0 H GLY A 57 19.262 9.611 -7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.914 9.821 -7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 57 20.452 9.706 -8.931 1.00 0.00 H new ATOM 757 N SER A 58 20.233 12.575 -7.991 1.00 0.00 N ATOM 758 CA SER A 58 20.277 13.997 -8.311 1.00 0.00 C ATOM 759 C SER A 58 20.994 14.778 -7.213 1.00 0.00 C ATOM 760 O SER A 58 20.834 15.993 -7.096 1.00 0.00 O ATOM 761 CB SER A 58 18.861 14.543 -8.500 1.00 0.00 C ATOM 762 OG SER A 58 18.330 15.018 -7.276 1.00 0.00 O ATOM 0 H SER A 58 19.504 12.315 -7.327 1.00 0.00 H new ATOM 0 HA SER A 58 20.832 14.118 -9.241 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.874 15.351 -9.232 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.217 13.760 -8.900 1.00 0.00 H new ATOM 0 HG SER A 58 18.150 14.260 -6.681 1.00 0.00 H new ATOM 768 N ILE A 59 21.783 14.071 -6.412 1.00 0.00 N ATOM 769 CA ILE A 59 22.525 14.697 -5.324 1.00 0.00 C ATOM 770 C ILE A 59 23.904 15.150 -5.790 1.00 0.00 C ATOM 771 O ILE A 59 24.760 14.330 -6.124 1.00 0.00 O ATOM 772 CB ILE A 59 22.687 13.740 -4.129 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.317 13.315 -3.598 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.506 14.400 -3.030 1.00 0.00 C ATOM 775 CD1 ILE A 59 20.527 14.451 -2.987 1.00 0.00 C ATOM 0 H ILE A 59 21.925 13.064 -6.495 1.00 0.00 H new ATOM 0 HA ILE A 59 21.948 15.565 -5.006 1.00 0.00 H new ATOM 0 HB ILE A 59 23.217 12.849 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.740 12.879 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.453 12.534 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.612 13.711 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.493 14.657 -3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.001 15.306 -2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 59 19.567 14.077 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.084 14.873 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 59 20.360 15.223 -3.738 1.00 0.00 H new ATOM 787 N THR A 60 24.116 16.463 -5.807 1.00 0.00 N ATOM 788 CA THR A 60 25.391 17.026 -6.231 1.00 0.00 C ATOM 789 C THR A 60 26.541 16.471 -5.398 1.00 0.00 C ATOM 790 O THR A 60 26.629 16.723 -4.196 1.00 0.00 O ATOM 791 CB THR A 60 25.390 18.563 -6.123 1.00 0.00 C ATOM 792 OG1 THR A 60 26.718 19.068 -6.308 1.00 0.00 O ATOM 793 CG2 THR A 60 24.855 19.011 -4.772 1.00 0.00 C ATOM 0 H THR A 60 23.420 17.156 -5.532 1.00 0.00 H new ATOM 0 HA THR A 60 25.531 16.742 -7.274 1.00 0.00 H new ATOM 0 HB THR A 60 24.739 18.959 -6.902 1.00 0.00 H new ATOM 0 HG1 THR A 60 26.709 20.046 -6.239 1.00 0.00 H new ATOM 0 HG21 THR A 60 24.864 20.100 -4.720 1.00 0.00 H new ATOM 0 HG22 THR A 60 23.834 18.650 -4.647 1.00 0.00 H new ATOM 0 HG23 THR A 60 25.483 18.605 -3.979 1.00 0.00 H new ATOM 801 N LYS A 61 27.421 15.713 -6.043 1.00 0.00 N ATOM 802 CA LYS A 61 28.568 15.123 -5.363 1.00 0.00 C ATOM 803 C LYS A 61 28.117 14.230 -4.212 1.00 0.00 C ATOM 804 O LYS A 61 28.577 14.379 -3.080 1.00 0.00 O ATOM 805 CB LYS A 61 29.496 16.221 -4.838 1.00 0.00 C ATOM 806 CG LYS A 61 30.434 16.781 -5.892 1.00 0.00 C ATOM 807 CD LYS A 61 31.732 17.277 -5.277 1.00 0.00 C ATOM 808 CE LYS A 61 31.637 18.743 -4.884 1.00 0.00 C ATOM 809 NZ LYS A 61 31.601 18.920 -3.406 1.00 0.00 N ATOM 0 H LYS A 61 27.362 15.493 -7.037 1.00 0.00 H new ATOM 0 HA LYS A 61 29.111 14.511 -6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 61 28.892 17.033 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.087 15.822 -4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.652 16.011 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.944 17.600 -6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.972 16.678 -4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.548 17.142 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 61 32.489 19.285 -5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 61 30.740 19.180 -5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 31.536 19.933 -3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 30.774 18.424 -3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 32.468 18.527 -2.988 1.00 0.00 H new ATOM 823 N LEU A 62 27.216 13.300 -4.509 1.00 0.00 N ATOM 824 CA LEU A 62 26.704 12.380 -3.499 1.00 0.00 C ATOM 825 C LEU A 62 27.847 11.708 -2.745 1.00 0.00 C ATOM 826 O LEU A 62 28.855 11.327 -3.339 1.00 0.00 O ATOM 827 CB LEU A 62 25.814 11.320 -4.150 1.00 0.00 C ATOM 828 CG LEU A 62 25.334 10.193 -3.236 1.00 0.00 C ATOM 829 CD1 LEU A 62 24.004 10.557 -2.592 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.213 8.890 -4.013 1.00 0.00 C ATOM 0 H LEU A 62 26.825 13.163 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 62 26.112 12.955 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 62 24.940 11.817 -4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.360 10.877 -4.983 1.00 0.00 H new ATOM 0 HG LEU A 62 26.071 10.054 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.678 9.743 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.122 11.465 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.257 10.724 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 62 24.870 8.099 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.497 9.016 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.185 8.621 -4.425 1.00 0.00 H new ATOM 842 N ASN A 63 27.680 11.564 -1.435 1.00 0.00 N ATOM 843 CA ASN A 63 28.698 10.935 -0.600 1.00 0.00 C ATOM 844 C ASN A 63 28.222 9.577 -0.092 1.00 0.00 C ATOM 845 O ASN A 63 27.397 9.497 0.819 1.00 0.00 O ATOM 846 CB ASN A 63 29.048 11.841 0.583 1.00 0.00 C ATOM 847 CG ASN A 63 30.482 11.664 1.041 1.00 0.00 C ATOM 848 OD1 ASN A 63 30.939 10.544 1.270 1.00 0.00 O ATOM 849 ND2 ASN A 63 31.200 12.773 1.178 1.00 0.00 N ATOM 0 H ASN A 63 26.851 11.874 -0.928 1.00 0.00 H new ATOM 0 HA ASN A 63 29.589 10.783 -1.209 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.885 12.881 0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.375 11.626 1.413 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.171 12.717 1.484 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.780 13.681 0.977 1.00 0.00 H new ATOM 856 N THR A 64 28.749 8.511 -0.687 1.00 0.00 N ATOM 857 CA THR A 64 28.378 7.157 -0.296 1.00 0.00 C ATOM 858 C THR A 64 28.554 6.950 1.205 1.00 0.00 C ATOM 859 O THR A 64 27.765 6.253 1.841 1.00 0.00 O ATOM 860 CB THR A 64 29.215 6.106 -1.049 1.00 0.00 C ATOM 861 OG1 THR A 64 30.603 6.456 -0.996 1.00 0.00 O ATOM 862 CG2 THR A 64 28.769 5.997 -2.499 1.00 0.00 C ATOM 0 H THR A 64 29.434 8.560 -1.441 1.00 0.00 H new ATOM 0 HA THR A 64 27.327 7.029 -0.557 1.00 0.00 H new ATOM 0 HB THR A 64 29.066 5.140 -0.566 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.129 5.782 -1.475 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.374 5.249 -3.011 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.720 5.702 -2.536 1.00 0.00 H new ATOM 0 HG23 THR A 64 28.892 6.962 -2.991 1.00 0.00 H new ATOM 870 N ASN A 65 29.593 7.562 1.764 1.00 0.00 N ATOM 871 CA ASN A 65 29.872 7.444 3.190 1.00 0.00 C ATOM 872 C ASN A 65 28.768 8.098 4.016 1.00 0.00 C ATOM 873 O ASN A 65 28.313 7.541 5.014 1.00 0.00 O ATOM 874 CB ASN A 65 31.221 8.087 3.522 1.00 0.00 C ATOM 875 CG ASN A 65 32.373 7.109 3.397 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.507 6.417 2.388 1.00 0.00 O ATOM 877 ND2 ASN A 65 33.212 7.049 4.425 1.00 0.00 N ATOM 0 H ASN A 65 30.255 8.144 1.251 1.00 0.00 H new ATOM 0 HA ASN A 65 29.910 6.384 3.441 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.392 8.932 2.855 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.192 8.482 4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 65 34.007 6.410 4.398 1.00 0.00 H new ATOM 0 HD22 ASN A 65 33.062 7.642 5.241 1.00 0.00 H new ATOM 884 N ASN A 66 28.342 9.283 3.591 1.00 0.00 N ATOM 885 CA ASN A 66 27.291 10.013 4.291 1.00 0.00 C ATOM 886 C ASN A 66 25.951 9.296 4.161 1.00 0.00 C ATOM 887 O ASN A 66 25.183 9.216 5.119 1.00 0.00 O ATOM 888 CB ASN A 66 27.176 11.436 3.740 1.00 0.00 C ATOM 889 CG ASN A 66 28.482 12.201 3.837 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.454 11.721 4.421 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.510 13.398 3.262 1.00 0.00 N ATOM 0 H ASN A 66 28.708 9.758 2.766 1.00 0.00 H new ATOM 0 HA ASN A 66 27.557 10.059 5.347 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.859 11.395 2.698 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.402 11.973 4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.361 13.959 3.294 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.680 13.756 2.789 1.00 0.00 H new ATOM 898 N ALA A 67 25.678 8.775 2.969 1.00 0.00 N ATOM 899 CA ALA A 67 24.433 8.062 2.714 1.00 0.00 C ATOM 900 C ALA A 67 24.267 6.887 3.672 1.00 0.00 C ATOM 901 O ALA A 67 23.167 6.617 4.153 1.00 0.00 O ATOM 902 CB ALA A 67 24.387 7.580 1.272 1.00 0.00 C ATOM 0 H ALA A 67 26.303 8.834 2.165 1.00 0.00 H new ATOM 0 HA ALA A 67 23.607 8.753 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.452 7.049 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.451 8.436 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.226 6.909 1.086 1.00 0.00 H new ATOM 908 N ALA A 68 25.367 6.191 3.944 1.00 0.00 N ATOM 909 CA ALA A 68 25.343 5.046 4.845 1.00 0.00 C ATOM 910 C ALA A 68 25.270 5.494 6.301 1.00 0.00 C ATOM 911 O ALA A 68 24.754 4.776 7.156 1.00 0.00 O ATOM 912 CB ALA A 68 26.567 4.172 4.620 1.00 0.00 C ATOM 0 H ALA A 68 26.285 6.401 3.553 1.00 0.00 H new ATOM 0 HA ALA A 68 24.449 4.462 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.536 3.320 5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.574 3.814 3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.469 4.754 4.808 1.00 0.00 H new ATOM 918 N ALA A 69 25.792 6.686 6.575 1.00 0.00 N ATOM 919 CA ALA A 69 25.785 7.230 7.927 1.00 0.00 C ATOM 920 C ALA A 69 24.383 7.669 8.335 1.00 0.00 C ATOM 921 O ALA A 69 24.043 7.675 9.519 1.00 0.00 O ATOM 922 CB ALA A 69 26.756 8.397 8.031 1.00 0.00 C ATOM 0 H ALA A 69 26.225 7.293 5.878 1.00 0.00 H new ATOM 0 HA ALA A 69 26.104 6.443 8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.741 8.794 9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.763 8.055 7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.461 9.179 7.331 1.00 0.00 H new ATOM 928 N LEU A 70 23.572 8.036 7.348 1.00 0.00 N ATOM 929 CA LEU A 70 22.206 8.478 7.605 1.00 0.00 C ATOM 930 C LEU A 70 21.428 7.418 8.378 1.00 0.00 C ATOM 931 O LEU A 70 20.914 7.664 9.470 1.00 0.00 O ATOM 932 CB LEU A 70 21.494 8.789 6.287 1.00 0.00 C ATOM 933 CG LEU A 70 19.975 8.612 6.287 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.336 9.479 7.360 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.400 8.944 4.917 1.00 0.00 C ATOM 0 H LEU A 70 23.837 8.036 6.363 1.00 0.00 H new ATOM 0 HA LEU A 70 22.250 9.384 8.210 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.720 9.819 6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.914 8.150 5.510 1.00 0.00 H new ATOM 0 HG LEU A 70 19.750 7.569 6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.255 9.339 7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.725 9.194 8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.569 10.526 7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.318 8.813 4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.636 9.978 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.834 8.280 4.170 1.00 0.00 H new ATOM 947 N PRO A 71 21.339 6.211 7.802 1.00 0.00 N ATOM 948 CA PRO A 71 20.627 5.088 8.422 1.00 0.00 C ATOM 949 C PRO A 71 21.348 4.555 9.655 1.00 0.00 C ATOM 950 O PRO A 71 20.715 4.122 10.617 1.00 0.00 O ATOM 951 CB PRO A 71 20.604 4.030 7.316 1.00 0.00 C ATOM 952 CG PRO A 71 21.779 4.351 6.459 1.00 0.00 C ATOM 953 CD PRO A 71 21.926 5.847 6.502 1.00 0.00 C ATOM 0 HA PRO A 71 19.637 5.377 8.775 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.679 3.024 7.729 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.675 4.073 6.747 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.678 3.860 6.830 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.624 4.003 5.438 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.971 6.150 6.434 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.401 6.326 5.676 1.00 0.00 H new ATOM 961 N GLY A 72 22.676 4.591 9.621 1.00 0.00 N ATOM 962 CA GLY A 72 23.461 4.109 10.742 1.00 0.00 C ATOM 963 C GLY A 72 23.295 4.970 11.979 1.00 0.00 C ATOM 964 O GLY A 72 23.093 4.457 13.080 1.00 0.00 O ATOM 0 H GLY A 72 23.223 4.946 8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.167 3.085 10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.514 4.083 10.460 1.00 0.00 H new ATOM 968 N LYS A 73 23.383 6.283 11.799 1.00 0.00 N ATOM 969 CA LYS A 73 23.242 7.219 12.908 1.00 0.00 C ATOM 970 C LYS A 73 21.780 7.358 13.320 1.00 0.00 C ATOM 971 O LYS A 73 21.476 7.775 14.439 1.00 0.00 O ATOM 972 CB LYS A 73 23.806 8.588 12.523 1.00 0.00 C ATOM 973 CG LYS A 73 25.308 8.705 12.721 1.00 0.00 C ATOM 974 CD LYS A 73 26.069 8.300 11.470 1.00 0.00 C ATOM 975 CE LYS A 73 27.558 8.574 11.610 1.00 0.00 C ATOM 976 NZ LYS A 73 28.120 7.963 12.847 1.00 0.00 N ATOM 0 H LYS A 73 23.551 6.724 10.895 1.00 0.00 H new ATOM 0 HA LYS A 73 23.805 6.826 13.755 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.569 8.788 11.478 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.309 9.356 13.116 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.562 9.731 12.986 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.616 8.075 13.555 1.00 0.00 H new ATOM 0 HD2 LYS A 73 25.910 7.240 11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.677 8.846 10.612 1.00 0.00 H new ATOM 0 HE2 LYS A 73 28.083 8.181 10.740 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.729 9.650 11.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 29.159 7.993 12.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 27.789 8.494 13.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.805 6.974 12.920 1.00 0.00 H new ATOM 990 N CYS A 74 20.877 7.006 12.411 1.00 0.00 N ATOM 991 CA CYS A 74 19.447 7.090 12.680 1.00 0.00 C ATOM 992 C CYS A 74 18.960 5.851 13.426 1.00 0.00 C ATOM 993 O CYS A 74 17.770 5.709 13.704 1.00 0.00 O ATOM 994 CB CYS A 74 18.670 7.249 11.371 1.00 0.00 C ATOM 995 SG CYS A 74 18.512 8.974 10.805 1.00 0.00 S ATOM 0 H CYS A 74 21.111 6.659 11.481 1.00 0.00 H new ATOM 0 HA CYS A 74 19.271 7.963 13.308 1.00 0.00 H new ATOM 0 HB2 CYS A 74 19.165 6.667 10.594 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.673 6.827 11.499 1.00 0.00 H new ATOM 1000 N GLY A 75 19.890 4.957 13.748 1.00 0.00 N ATOM 1001 CA GLY A 75 19.536 3.743 14.459 1.00 0.00 C ATOM 1002 C GLY A 75 18.714 2.793 13.611 1.00 0.00 C ATOM 1003 O GLY A 75 17.895 2.035 14.132 1.00 0.00 O ATOM 0 H GLY A 75 20.882 5.052 13.529 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.445 3.239 14.786 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.975 4.002 15.357 1.00 0.00 H new ATOM 1007 N VAL A 76 18.930 2.834 12.300 1.00 0.00 N ATOM 1008 CA VAL A 76 18.202 1.971 11.378 1.00 0.00 C ATOM 1009 C VAL A 76 19.085 1.544 10.212 1.00 0.00 C ATOM 1010 O VAL A 76 19.122 2.203 9.174 1.00 0.00 O ATOM 1011 CB VAL A 76 16.946 2.672 10.826 1.00 0.00 C ATOM 1012 CG1 VAL A 76 17.292 4.060 10.310 1.00 0.00 C ATOM 1013 CG2 VAL A 76 16.305 1.832 9.732 1.00 0.00 C ATOM 0 H VAL A 76 19.603 3.456 11.853 1.00 0.00 H new ATOM 0 HA VAL A 76 17.899 1.089 11.943 1.00 0.00 H new ATOM 0 HB VAL A 76 16.226 2.782 11.637 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.392 4.539 9.924 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.702 4.659 11.123 1.00 0.00 H new ATOM 0 HG13 VAL A 76 18.030 3.978 9.512 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.419 2.342 9.353 1.00 0.00 H new ATOM 0 HG22 VAL A 76 17.017 1.689 8.919 1.00 0.00 H new ATOM 0 HG23 VAL A 76 16.019 0.862 10.139 1.00 0.00 H new ATOM 1023 N ASN A 77 19.797 0.435 10.390 1.00 0.00 N ATOM 1024 CA ASN A 77 20.681 -0.081 9.352 1.00 0.00 C ATOM 1025 C ASN A 77 19.930 -1.024 8.417 1.00 0.00 C ATOM 1026 O ASN A 77 19.116 -1.834 8.859 1.00 0.00 O ATOM 1027 CB ASN A 77 21.870 -0.809 9.982 1.00 0.00 C ATOM 1028 CG ASN A 77 22.305 -0.182 11.292 1.00 0.00 C ATOM 1029 OD1 ASN A 77 22.260 1.038 11.454 1.00 0.00 O ATOM 1030 ND2 ASN A 77 22.729 -1.015 12.235 1.00 0.00 N ATOM 0 H ASN A 77 19.778 -0.123 11.244 1.00 0.00 H new ATOM 0 HA ASN A 77 21.048 0.764 8.769 1.00 0.00 H new ATOM 0 HB2 ASN A 77 21.605 -1.852 10.152 1.00 0.00 H new ATOM 0 HB3 ASN A 77 22.707 -0.803 9.284 1.00 0.00 H new ATOM 0 HD21 ASN A 77 23.034 -0.651 13.137 1.00 0.00 H new ATOM 0 HD22 ASN A 77 22.749 -2.019 12.057 1.00 0.00 H new ATOM 1037 N ILE A 78 20.211 -0.912 7.123 1.00 0.00 N ATOM 1038 CA ILE A 78 19.564 -1.756 6.126 1.00 0.00 C ATOM 1039 C ILE A 78 20.568 -2.694 5.464 1.00 0.00 C ATOM 1040 O ILE A 78 21.772 -2.439 5.443 1.00 0.00 O ATOM 1041 CB ILE A 78 18.872 -0.912 5.039 1.00 0.00 C ATOM 1042 CG1 ILE A 78 19.787 0.228 4.588 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.549 -0.366 5.554 1.00 0.00 C ATOM 1044 CD1 ILE A 78 19.618 1.494 5.399 1.00 0.00 C ATOM 0 H ILE A 78 20.882 -0.246 6.741 1.00 0.00 H new ATOM 0 HA ILE A 78 18.812 -2.345 6.651 1.00 0.00 H new ATOM 0 HB ILE A 78 18.668 -1.550 4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.824 -0.101 4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.589 0.449 3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 78 17.072 0.228 4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.896 -1.194 5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.729 0.260 6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 78 20.297 2.260 5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 78 18.590 1.847 5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.844 1.289 6.445 1.00 0.00 H new ATOM 1056 N PRO A 79 20.062 -3.805 4.908 1.00 0.00 N ATOM 1057 CA PRO A 79 20.897 -4.802 4.232 1.00 0.00 C ATOM 1058 C PRO A 79 21.467 -4.285 2.916 1.00 0.00 C ATOM 1059 O PRO A 79 22.416 -4.853 2.374 1.00 0.00 O ATOM 1060 CB PRO A 79 19.929 -5.961 3.977 1.00 0.00 C ATOM 1061 CG PRO A 79 18.582 -5.326 3.933 1.00 0.00 C ATOM 1062 CD PRO A 79 18.636 -4.172 4.895 1.00 0.00 C ATOM 0 HA PRO A 79 21.766 -5.078 4.829 1.00 0.00 H new ATOM 0 HB2 PRO A 79 20.158 -6.469 3.040 1.00 0.00 H new ATOM 0 HB3 PRO A 79 19.989 -6.708 4.768 1.00 0.00 H new ATOM 0 HG2 PRO A 79 18.345 -4.983 2.926 1.00 0.00 H new ATOM 0 HG3 PRO A 79 17.806 -6.036 4.219 1.00 0.00 H new ATOM 0 HD2 PRO A 79 18.011 -3.343 4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 79 18.286 -4.459 5.887 1.00 0.00 H new ATOM 1070 N TYR A 80 20.884 -3.206 2.407 1.00 0.00 N ATOM 1071 CA TYR A 80 21.333 -2.614 1.153 1.00 0.00 C ATOM 1072 C TYR A 80 21.897 -1.215 1.382 1.00 0.00 C ATOM 1073 O TYR A 80 21.889 -0.705 2.503 1.00 0.00 O ATOM 1074 CB TYR A 80 20.179 -2.553 0.151 1.00 0.00 C ATOM 1075 CG TYR A 80 18.885 -2.045 0.747 1.00 0.00 C ATOM 1076 CD1 TYR A 80 18.618 -0.683 0.818 1.00 0.00 C ATOM 1077 CD2 TYR A 80 17.932 -2.926 1.242 1.00 0.00 C ATOM 1078 CE1 TYR A 80 17.438 -0.215 1.362 1.00 0.00 C ATOM 1079 CE2 TYR A 80 16.749 -2.467 1.787 1.00 0.00 C ATOM 1080 CZ TYR A 80 16.506 -1.110 1.845 1.00 0.00 C ATOM 1081 OH TYR A 80 15.330 -0.648 2.389 1.00 0.00 O ATOM 0 H TYR A 80 20.099 -2.723 2.844 1.00 0.00 H new ATOM 0 HA TYR A 80 22.125 -3.243 0.747 1.00 0.00 H new ATOM 0 HB2 TYR A 80 20.464 -1.908 -0.680 1.00 0.00 H new ATOM 0 HB3 TYR A 80 20.013 -3.549 -0.261 1.00 0.00 H new ATOM 0 HD1 TYR A 80 19.345 0.021 0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 80 18.119 -3.989 1.200 1.00 0.00 H new ATOM 0 HE1 TYR A 80 17.246 0.847 1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 80 16.018 -3.166 2.166 1.00 0.00 H new ATOM 0 HH TYR A 80 14.784 -1.408 2.681 1.00 0.00 H new ATOM 1091 N LYS A 81 22.385 -0.598 0.311 1.00 0.00 N ATOM 1092 CA LYS A 81 22.952 0.743 0.392 1.00 0.00 C ATOM 1093 C LYS A 81 21.993 1.775 -0.193 1.00 0.00 C ATOM 1094 O LYS A 81 20.957 1.423 -0.758 1.00 0.00 O ATOM 1095 CB LYS A 81 24.291 0.798 -0.347 1.00 0.00 C ATOM 1096 CG LYS A 81 25.265 1.808 0.234 1.00 0.00 C ATOM 1097 CD LYS A 81 26.707 1.403 -0.022 1.00 0.00 C ATOM 1098 CE LYS A 81 27.104 1.640 -1.471 1.00 0.00 C ATOM 1099 NZ LYS A 81 28.575 1.521 -1.670 1.00 0.00 N ATOM 0 H LYS A 81 22.399 -1.006 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 81 23.115 0.979 1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 81 24.750 -0.191 -0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 81 24.109 1.042 -1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 81 25.078 2.788 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.097 1.901 1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 81 27.367 1.970 0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.839 0.350 0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 81 26.592 0.921 -2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 81 26.775 2.632 -1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.805 1.689 -2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 29.063 2.224 -1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 28.886 0.566 -1.399 1.00 0.00 H new ATOM 1113 N ILE A 82 22.346 3.048 -0.056 1.00 0.00 N ATOM 1114 CA ILE A 82 21.518 4.130 -0.574 1.00 0.00 C ATOM 1115 C ILE A 82 22.327 5.061 -1.470 1.00 0.00 C ATOM 1116 O ILE A 82 23.056 5.927 -0.986 1.00 0.00 O ATOM 1117 CB ILE A 82 20.889 4.952 0.566 1.00 0.00 C ATOM 1118 CG1 ILE A 82 20.041 4.051 1.467 1.00 0.00 C ATOM 1119 CG2 ILE A 82 20.047 6.086 -0.001 1.00 0.00 C ATOM 1120 CD1 ILE A 82 20.555 3.961 2.886 1.00 0.00 C ATOM 0 H ILE A 82 23.200 3.356 0.409 1.00 0.00 H new ATOM 0 HA ILE A 82 20.723 3.667 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 82 21.689 5.384 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 82 19.018 4.426 1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 82 20.007 3.050 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 82 19.609 6.658 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 82 20.676 6.740 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 82 19.252 5.673 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 82 19.906 3.306 3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 82 21.567 3.557 2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 82 20.563 4.955 3.334 1.00 0.00 H new ATOM 1132 N SER A 83 22.193 4.877 -2.780 1.00 0.00 N ATOM 1133 CA SER A 83 22.913 5.700 -3.745 1.00 0.00 C ATOM 1134 C SER A 83 22.453 5.396 -5.168 1.00 0.00 C ATOM 1135 O SER A 83 21.575 4.560 -5.385 1.00 0.00 O ATOM 1136 CB SER A 83 24.420 5.464 -3.624 1.00 0.00 C ATOM 1137 OG SER A 83 24.996 6.335 -2.665 1.00 0.00 O ATOM 0 H SER A 83 21.593 4.166 -3.197 1.00 0.00 H new ATOM 0 HA SER A 83 22.697 6.746 -3.527 1.00 0.00 H new ATOM 0 HB2 SER A 83 24.608 4.429 -3.339 1.00 0.00 H new ATOM 0 HB3 SER A 83 24.895 5.619 -4.593 1.00 0.00 H new ATOM 0 HG SER A 83 24.557 6.204 -1.799 1.00 0.00 H new ATOM 1143 N THR A 84 23.052 6.083 -6.136 1.00 0.00 N ATOM 1144 CA THR A 84 22.704 5.889 -7.538 1.00 0.00 C ATOM 1145 C THR A 84 23.339 4.619 -8.092 1.00 0.00 C ATOM 1146 O THR A 84 23.116 4.253 -9.246 1.00 0.00 O ATOM 1147 CB THR A 84 23.147 7.088 -8.397 1.00 0.00 C ATOM 1148 OG1 THR A 84 22.896 6.819 -9.781 1.00 0.00 O ATOM 1149 CG2 THR A 84 24.625 7.384 -8.193 1.00 0.00 C ATOM 0 H THR A 84 23.780 6.779 -5.974 1.00 0.00 H new ATOM 0 HA THR A 84 21.619 5.799 -7.585 1.00 0.00 H new ATOM 0 HB THR A 84 22.572 7.960 -8.087 1.00 0.00 H new ATOM 0 HG1 THR A 84 22.913 5.851 -9.934 1.00 0.00 H new ATOM 0 HG21 THR A 84 24.914 8.235 -8.810 1.00 0.00 H new ATOM 0 HG22 THR A 84 24.808 7.618 -7.144 1.00 0.00 H new ATOM 0 HG23 THR A 84 25.213 6.512 -8.478 1.00 0.00 H new ATOM 1157 N THR A 85 24.132 3.949 -7.261 1.00 0.00 N ATOM 1158 CA THR A 85 24.801 2.719 -7.668 1.00 0.00 C ATOM 1159 C THR A 85 24.422 1.559 -6.755 1.00 0.00 C ATOM 1160 O THR A 85 25.282 0.798 -6.311 1.00 0.00 O ATOM 1161 CB THR A 85 26.332 2.884 -7.662 1.00 0.00 C ATOM 1162 OG1 THR A 85 26.813 2.940 -6.314 1.00 0.00 O ATOM 1163 CG2 THR A 85 26.744 4.145 -8.406 1.00 0.00 C ATOM 0 H THR A 85 24.327 4.238 -6.302 1.00 0.00 H new ATOM 0 HA THR A 85 24.471 2.501 -8.684 1.00 0.00 H new ATOM 0 HB THR A 85 26.770 2.024 -8.168 1.00 0.00 H new ATOM 0 HG1 THR A 85 26.690 2.067 -5.886 1.00 0.00 H new ATOM 0 HG21 THR A 85 27.830 4.240 -8.388 1.00 0.00 H new ATOM 0 HG22 THR A 85 26.402 4.086 -9.439 1.00 0.00 H new ATOM 0 HG23 THR A 85 26.296 5.014 -7.925 1.00 0.00 H new ATOM 1171 N THR A 86 23.128 1.429 -6.477 1.00 0.00 N ATOM 1172 CA THR A 86 22.635 0.361 -5.616 1.00 0.00 C ATOM 1173 C THR A 86 21.725 -0.589 -6.385 1.00 0.00 C ATOM 1174 O THR A 86 20.941 -0.163 -7.232 1.00 0.00 O ATOM 1175 CB THR A 86 21.866 0.926 -4.406 1.00 0.00 C ATOM 1176 OG1 THR A 86 22.770 1.590 -3.517 1.00 0.00 O ATOM 1177 CG2 THR A 86 21.138 -0.184 -3.663 1.00 0.00 C ATOM 0 H THR A 86 22.403 2.050 -6.836 1.00 0.00 H new ATOM 0 HA THR A 86 23.507 -0.187 -5.259 1.00 0.00 H new ATOM 0 HB THR A 86 21.129 1.641 -4.773 1.00 0.00 H new ATOM 0 HG1 THR A 86 22.270 2.206 -2.942 1.00 0.00 H new ATOM 0 HG21 THR A 86 20.602 0.238 -2.813 1.00 0.00 H new ATOM 0 HG22 THR A 86 20.429 -0.668 -4.335 1.00 0.00 H new ATOM 0 HG23 THR A 86 21.861 -0.919 -3.308 1.00 0.00 H new ATOM 1185 N ASN A 87 21.833 -1.879 -6.083 1.00 0.00 N ATOM 1186 CA ASN A 87 21.019 -2.890 -6.746 1.00 0.00 C ATOM 1187 C ASN A 87 20.097 -3.587 -5.749 1.00 0.00 C ATOM 1188 O ASN A 87 20.490 -4.552 -5.093 1.00 0.00 O ATOM 1189 CB ASN A 87 21.912 -3.922 -7.438 1.00 0.00 C ATOM 1190 CG ASN A 87 21.194 -4.653 -8.555 1.00 0.00 C ATOM 1191 OD1 ASN A 87 19.993 -4.471 -8.760 1.00 0.00 O ATOM 1192 ND2 ASN A 87 21.927 -5.486 -9.285 1.00 0.00 N ATOM 0 H ASN A 87 22.477 -2.248 -5.383 1.00 0.00 H new ATOM 0 HA ASN A 87 20.405 -2.390 -7.495 1.00 0.00 H new ATOM 0 HB2 ASN A 87 22.793 -3.423 -7.842 1.00 0.00 H new ATOM 0 HB3 ASN A 87 22.264 -4.645 -6.702 1.00 0.00 H new ATOM 0 HD21 ASN A 87 21.498 -6.006 -10.051 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.919 -5.606 -9.080 1.00 0.00 H new ATOM 1199 N CYS A 88 18.869 -3.091 -5.641 1.00 0.00 N ATOM 1200 CA CYS A 88 17.890 -3.665 -4.725 1.00 0.00 C ATOM 1201 C CYS A 88 17.248 -4.911 -5.326 1.00 0.00 C ATOM 1202 O CYS A 88 16.780 -5.790 -4.604 1.00 0.00 O ATOM 1203 CB CYS A 88 16.811 -2.634 -4.388 1.00 0.00 C ATOM 1204 SG CYS A 88 17.371 -1.311 -3.267 1.00 0.00 S ATOM 0 H CYS A 88 18.528 -2.293 -6.176 1.00 0.00 H new ATOM 0 HA CYS A 88 18.409 -3.951 -3.810 1.00 0.00 H new ATOM 0 HB2 CYS A 88 16.452 -2.184 -5.313 1.00 0.00 H new ATOM 0 HB3 CYS A 88 15.963 -3.146 -3.933 1.00 0.00 H new