USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 849 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 Single : A 1 ALA N :NH3+ 135:sc= 0.0946 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.96 K(o=-0.96,f=-6!) USER MOD Single : A 5 ASN : amide:sc= -0.757 K(o=-0.76,f=-7.6!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0844 X(o=-0.084,f=-0.028) USER MOD Single : A 16 THR OG1 : rot 65:sc= 0.737 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.82 F(o=-3.4,f=-1.8) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.15) USER MOD Single : A 24 TYR OH : rot -122:sc= 1.32 USER MOD Single : A 26 THR OG1 : rot -78:sc= 0.428 USER MOD Single : A 27 LYS NZ :NH3+ -164:sc=-0.00419 (180deg=-0.254) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 38 SER OG : rot 180:sc= -1.06 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -5.98! C(o=-6!,f=-13!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 130:sc= 0 USER MOD Single : A 57 SER OG : rot -39:sc= 0.00987 USER MOD Single : A 58 ASN : amide:sc= -1.42 K(o=-1.4,f=-11!) USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= -0.0506 (180deg=-0.639) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 53:sc= 0.0417 USER MOD Single : A 70 THR OG1 : rot 84:sc= 0.0352 USER MOD Single : A 77 ASN : amide:sc= -0.481 K(o=-0.48,f=-3.6!) USER MOD Single : A 78 TYR OH : rot 130:sc= -0.316 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 66:sc= 0.487 USER MOD Single : A 84 ASN : amide:sc= -3.4! C(o=-3.4!,f=-3.6!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 90 TYR OH : rot 29:sc= -1.97! USER MOD Single : A 91 SER OG : rot 106:sc= 0.5 USER MOD Single : A 92 SER OG : rot 103:sc= 0.323 USER MOD Single : A 97 TYR OH : rot 171:sc= -2.15! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 110:sc= -0.382 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= -0.529 K(o=-0.53,f=-2.5!) USER MOD Single : A 103 TYR OH : rot 90:sc= -0.0531 USER MOD Single : A 104 GLN : amide:sc= -0.466 K(o=-0.47,f=-3.6!) USER MOD Single : A 105 THR OG1 : rot 130:sc= 0.605 USER MOD Single : A 107 THR OG1 : rot 180:sc=-0.00777 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.729 18.143 6.676 1.00 0.00 N ATOM 2 CA ALA A 1 8.466 18.186 5.886 1.00 0.00 C ATOM 3 C ALA A 1 7.557 17.031 6.311 1.00 0.00 C ATOM 4 O ALA A 1 8.008 16.036 6.843 1.00 0.00 O ATOM 5 CB ALA A 1 8.792 18.054 4.397 1.00 0.00 C ATOM 0 H1 ALA A 1 10.540 18.291 6.042 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.713 18.892 7.398 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.817 17.217 7.140 1.00 0.00 H new ATOM 0 HA ALA A 1 7.958 19.133 6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.869 18.085 3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.440 18.876 4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.300 17.106 4.218 1.00 0.00 H new ATOM 13 N GLN A 2 6.278 17.153 6.078 1.00 0.00 N ATOM 14 CA GLN A 2 5.342 16.061 6.468 1.00 0.00 C ATOM 15 C GLN A 2 4.888 15.308 5.215 1.00 0.00 C ATOM 16 O GLN A 2 4.009 15.746 4.499 1.00 0.00 O ATOM 17 CB GLN A 2 4.122 16.663 7.171 1.00 0.00 C ATOM 18 CG GLN A 2 4.047 16.133 8.604 1.00 0.00 C ATOM 19 CD GLN A 2 3.666 14.651 8.581 1.00 0.00 C ATOM 20 OE1 GLN A 2 4.249 13.873 7.851 1.00 0.00 O ATOM 21 NE2 GLN A 2 2.706 14.225 9.355 1.00 0.00 N ATOM 0 H GLN A 2 5.842 17.961 5.635 1.00 0.00 H new ATOM 0 HA GLN A 2 5.848 15.371 7.144 1.00 0.00 H new ATOM 0 HB2 GLN A 2 4.192 17.751 7.177 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.212 16.406 6.628 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.007 16.265 9.102 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.311 16.700 9.175 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.217 14.878 9.967 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.445 13.239 9.348 1.00 0.00 H new ATOM 30 N VAL A 3 5.481 14.177 4.944 1.00 0.00 N ATOM 31 CA VAL A 3 5.086 13.397 3.738 1.00 0.00 C ATOM 32 C VAL A 3 3.704 12.778 3.959 1.00 0.00 C ATOM 33 O VAL A 3 3.041 13.049 4.941 1.00 0.00 O ATOM 34 CB VAL A 3 6.107 12.285 3.494 1.00 0.00 C ATOM 35 CG1 VAL A 3 7.483 12.902 3.234 1.00 0.00 C ATOM 36 CG2 VAL A 3 6.180 11.384 4.729 1.00 0.00 C ATOM 0 H VAL A 3 6.222 13.760 5.507 1.00 0.00 H new ATOM 0 HA VAL A 3 5.054 14.059 2.873 1.00 0.00 H new ATOM 0 HB VAL A 3 5.804 11.696 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.210 12.109 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.433 13.547 2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.787 13.490 4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.907 10.590 4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.484 11.975 5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.200 10.944 4.917 1.00 0.00 H new ATOM 46 N ILE A 4 3.265 11.947 3.053 1.00 0.00 N ATOM 47 CA ILE A 4 1.927 11.309 3.210 1.00 0.00 C ATOM 48 C ILE A 4 2.083 9.787 3.197 1.00 0.00 C ATOM 49 O ILE A 4 2.138 9.168 2.154 1.00 0.00 O ATOM 50 CB ILE A 4 1.017 11.736 2.056 1.00 0.00 C ATOM 51 CG1 ILE A 4 1.236 13.221 1.756 1.00 0.00 C ATOM 52 CG2 ILE A 4 -0.444 11.506 2.445 1.00 0.00 C ATOM 53 CD1 ILE A 4 2.105 13.368 0.506 1.00 0.00 C ATOM 0 H ILE A 4 3.775 11.682 2.211 1.00 0.00 H new ATOM 0 HA ILE A 4 1.486 11.623 4.156 1.00 0.00 H new ATOM 0 HB ILE A 4 1.254 11.147 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.277 13.717 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.717 13.707 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.092 11.810 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.601 10.449 2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.682 12.095 3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.260 14.426 0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.068 12.886 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.607 12.897 -0.341 1.00 0.00 H new ATOM 65 N ASN A 5 2.157 9.178 4.350 1.00 0.00 N ATOM 66 CA ASN A 5 2.310 7.697 4.401 1.00 0.00 C ATOM 67 C ASN A 5 1.459 7.135 5.543 1.00 0.00 C ATOM 68 O ASN A 5 1.943 6.421 6.397 1.00 0.00 O ATOM 69 CB ASN A 5 3.780 7.344 4.639 1.00 0.00 C ATOM 70 CG ASN A 5 4.260 7.998 5.936 1.00 0.00 C ATOM 71 OD1 ASN A 5 3.655 8.936 6.417 1.00 0.00 O ATOM 72 ND2 ASN A 5 5.331 7.541 6.526 1.00 0.00 N ATOM 0 H ASN A 5 2.118 9.642 5.257 1.00 0.00 H new ATOM 0 HA ASN A 5 1.981 7.265 3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.900 6.262 4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.387 7.686 3.801 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.660 7.971 7.390 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.839 6.754 6.123 1.00 0.00 H new ATOM 79 N THR A 6 0.193 7.451 5.561 1.00 0.00 N ATOM 80 CA THR A 6 -0.688 6.935 6.648 1.00 0.00 C ATOM 81 C THR A 6 -2.020 6.474 6.051 1.00 0.00 C ATOM 82 O THR A 6 -2.180 6.398 4.849 1.00 0.00 O ATOM 83 CB THR A 6 -0.949 8.046 7.667 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.867 9.307 7.020 1.00 0.00 O ATOM 85 CG2 THR A 6 0.094 7.973 8.783 1.00 0.00 C ATOM 0 H THR A 6 -0.269 8.043 4.871 1.00 0.00 H new ATOM 0 HA THR A 6 -0.198 6.095 7.141 1.00 0.00 H new ATOM 0 HB THR A 6 -1.944 7.921 8.095 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.036 10.020 7.671 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.093 8.765 9.508 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.029 7.004 9.279 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.090 8.098 8.359 1.00 0.00 H new ATOM 93 N PHE A 7 -2.979 6.169 6.883 1.00 0.00 N ATOM 94 CA PHE A 7 -4.299 5.716 6.365 1.00 0.00 C ATOM 95 C PHE A 7 -5.069 6.918 5.816 1.00 0.00 C ATOM 96 O PHE A 7 -5.440 6.954 4.661 1.00 0.00 O ATOM 97 CB PHE A 7 -5.099 5.074 7.500 1.00 0.00 C ATOM 98 CG PHE A 7 -4.444 3.779 7.908 1.00 0.00 C ATOM 99 CD1 PHE A 7 -4.275 2.754 6.971 1.00 0.00 C ATOM 100 CD2 PHE A 7 -4.005 3.606 9.224 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.665 1.552 7.352 1.00 0.00 C ATOM 102 CE2 PHE A 7 -3.395 2.405 9.606 1.00 0.00 C ATOM 103 CZ PHE A 7 -3.226 1.377 8.670 1.00 0.00 C ATOM 0 H PHE A 7 -2.904 6.214 7.899 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.147 4.986 5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.150 5.752 8.352 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.124 4.890 7.178 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.615 2.889 5.955 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.136 4.399 9.946 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.533 0.760 6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.055 2.271 10.622 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.757 0.450 8.965 1.00 0.00 H new ATOM 113 N ASP A 8 -5.313 7.900 6.637 1.00 0.00 N ATOM 114 CA ASP A 8 -6.059 9.101 6.165 1.00 0.00 C ATOM 115 C ASP A 8 -5.177 9.921 5.218 1.00 0.00 C ATOM 116 O ASP A 8 -5.659 10.568 4.308 1.00 0.00 O ATOM 117 CB ASP A 8 -6.451 9.962 7.368 1.00 0.00 C ATOM 118 CG ASP A 8 -7.977 10.036 7.469 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.566 10.770 6.695 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.528 9.356 8.319 1.00 0.00 O ATOM 0 H ASP A 8 -5.028 7.924 7.616 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.956 8.781 5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.036 9.538 8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.034 10.964 7.263 1.00 0.00 H new ATOM 125 N GLY A 9 -3.888 9.905 5.428 1.00 0.00 N ATOM 126 CA GLY A 9 -2.979 10.690 4.547 1.00 0.00 C ATOM 127 C GLY A 9 -2.972 10.089 3.143 1.00 0.00 C ATOM 128 O GLY A 9 -3.184 10.776 2.162 1.00 0.00 O ATOM 0 H GLY A 9 -3.426 9.382 6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.306 11.729 4.506 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.969 10.689 4.958 1.00 0.00 H new ATOM 132 N VAL A 10 -2.730 8.814 3.036 1.00 0.00 N ATOM 133 CA VAL A 10 -2.711 8.176 1.690 1.00 0.00 C ATOM 134 C VAL A 10 -4.118 8.207 1.094 1.00 0.00 C ATOM 135 O VAL A 10 -4.301 8.505 -0.068 1.00 0.00 O ATOM 136 CB VAL A 10 -2.235 6.729 1.811 1.00 0.00 C ATOM 137 CG1 VAL A 10 -2.253 6.067 0.432 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.808 6.708 2.364 1.00 0.00 C ATOM 0 H VAL A 10 -2.545 8.187 3.819 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.029 8.723 1.039 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.897 6.185 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.913 5.035 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.268 6.083 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.591 6.611 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.467 5.676 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.148 7.253 1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.792 7.180 3.346 1.00 0.00 H new ATOM 148 N ALA A 11 -5.115 7.914 1.882 1.00 0.00 N ATOM 149 CA ALA A 11 -6.506 7.945 1.355 1.00 0.00 C ATOM 150 C ALA A 11 -6.781 9.342 0.798 1.00 0.00 C ATOM 151 O ALA A 11 -7.428 9.503 -0.218 1.00 0.00 O ATOM 152 CB ALA A 11 -7.489 7.640 2.487 1.00 0.00 C ATOM 0 H ALA A 11 -5.026 7.655 2.865 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.627 7.199 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.508 7.663 2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.278 6.652 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.382 8.388 3.273 1.00 0.00 H new ATOM 158 N ASP A 12 -6.281 10.352 1.457 1.00 0.00 N ATOM 159 CA ASP A 12 -6.497 11.742 0.972 1.00 0.00 C ATOM 160 C ASP A 12 -5.787 11.923 -0.370 1.00 0.00 C ATOM 161 O ASP A 12 -6.389 12.299 -1.357 1.00 0.00 O ATOM 162 CB ASP A 12 -5.917 12.729 1.986 1.00 0.00 C ATOM 163 CG ASP A 12 -7.053 13.392 2.764 1.00 0.00 C ATOM 164 OD1 ASP A 12 -8.170 13.377 2.274 1.00 0.00 O ATOM 165 OD2 ASP A 12 -6.788 13.905 3.840 1.00 0.00 O ATOM 0 H ASP A 12 -5.731 10.272 2.312 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.565 11.926 0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.248 12.210 2.672 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.324 13.486 1.473 1.00 0.00 H new ATOM 170 N TYR A 13 -4.510 11.657 -0.414 1.00 0.00 N ATOM 171 CA TYR A 13 -3.763 11.813 -1.694 1.00 0.00 C ATOM 172 C TYR A 13 -4.398 10.918 -2.759 1.00 0.00 C ATOM 173 O TYR A 13 -4.241 11.136 -3.945 1.00 0.00 O ATOM 174 CB TYR A 13 -2.303 11.403 -1.487 1.00 0.00 C ATOM 175 CG TYR A 13 -1.488 11.804 -2.693 1.00 0.00 C ATOM 176 CD1 TYR A 13 -1.088 13.135 -2.856 1.00 0.00 C ATOM 177 CD2 TYR A 13 -1.132 10.844 -3.648 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.331 13.507 -3.973 1.00 0.00 C ATOM 179 CE2 TYR A 13 -0.376 11.216 -4.767 1.00 0.00 C ATOM 180 CZ TYR A 13 0.025 12.548 -4.929 1.00 0.00 C ATOM 181 OH TYR A 13 0.770 12.916 -6.031 1.00 0.00 O ATOM 0 H TYR A 13 -3.953 11.339 0.379 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.804 12.853 -2.017 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.904 11.880 -0.591 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.236 10.326 -1.332 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.363 13.875 -2.120 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.440 9.817 -3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.021 14.534 -4.098 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.102 10.476 -5.505 1.00 0.00 H new ATOM 0 HH TYR A 13 0.931 12.130 -6.594 1.00 0.00 H new ATOM 191 N LEU A 14 -5.119 9.913 -2.342 1.00 0.00 N ATOM 192 CA LEU A 14 -5.770 9.000 -3.321 1.00 0.00 C ATOM 193 C LEU A 14 -6.980 9.703 -3.937 1.00 0.00 C ATOM 194 O LEU A 14 -7.015 9.971 -5.119 1.00 0.00 O ATOM 195 CB LEU A 14 -6.221 7.728 -2.601 1.00 0.00 C ATOM 196 CG LEU A 14 -5.158 6.637 -2.769 1.00 0.00 C ATOM 197 CD1 LEU A 14 -5.015 5.859 -1.460 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.582 5.678 -3.881 1.00 0.00 C ATOM 0 H LEU A 14 -5.285 9.685 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.065 8.737 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.381 7.934 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.174 7.387 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.205 7.098 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.259 5.083 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.714 6.539 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.970 5.400 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.826 4.902 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.536 5.218 -3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.687 6.229 -4.816 1.00 0.00 H new ATOM 210 N GLN A 15 -7.972 10.009 -3.148 1.00 0.00 N ATOM 211 CA GLN A 15 -9.170 10.702 -3.701 1.00 0.00 C ATOM 212 C GLN A 15 -8.801 12.141 -4.071 1.00 0.00 C ATOM 213 O GLN A 15 -9.592 12.871 -4.634 1.00 0.00 O ATOM 214 CB GLN A 15 -10.283 10.712 -2.651 1.00 0.00 C ATOM 215 CG GLN A 15 -10.760 9.280 -2.401 1.00 0.00 C ATOM 216 CD GLN A 15 -12.222 9.299 -1.952 1.00 0.00 C ATOM 217 OE1 GLN A 15 -13.074 8.721 -2.597 1.00 0.00 O ATOM 218 NE2 GLN A 15 -12.550 9.942 -0.866 1.00 0.00 N ATOM 0 H GLN A 15 -8.006 9.810 -2.148 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.516 10.177 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.918 11.153 -1.723 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.114 11.329 -2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.655 8.687 -3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.141 8.807 -1.639 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.834 10.427 -0.325 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.522 9.960 -0.558 1.00 0.00 H new ATOM 227 N THR A 16 -7.602 12.557 -3.757 1.00 0.00 N ATOM 228 CA THR A 16 -7.184 13.949 -4.090 1.00 0.00 C ATOM 229 C THR A 16 -6.466 13.961 -5.433 1.00 0.00 C ATOM 230 O THR A 16 -6.944 14.509 -6.406 1.00 0.00 O ATOM 231 CB THR A 16 -6.240 14.470 -3.003 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.936 14.537 -1.767 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.740 15.865 -3.383 1.00 0.00 C ATOM 0 H THR A 16 -6.895 11.993 -3.285 1.00 0.00 H new ATOM 0 HA THR A 16 -8.065 14.588 -4.146 1.00 0.00 H new ATOM 0 HB THR A 16 -5.389 13.795 -2.907 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.192 13.634 -1.486 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.068 16.234 -2.608 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.206 15.814 -4.332 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.589 16.542 -3.480 1.00 0.00 H new ATOM 241 N TYR A 17 -5.320 13.360 -5.488 1.00 0.00 N ATOM 242 CA TYR A 17 -4.549 13.325 -6.763 1.00 0.00 C ATOM 243 C TYR A 17 -4.947 12.085 -7.568 1.00 0.00 C ATOM 244 O TYR A 17 -4.401 11.814 -8.619 1.00 0.00 O ATOM 245 CB TYR A 17 -3.052 13.273 -6.450 1.00 0.00 C ATOM 246 CG TYR A 17 -2.601 14.619 -5.936 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.692 14.912 -4.569 1.00 0.00 C ATOM 248 CD2 TYR A 17 -2.093 15.573 -6.825 1.00 0.00 C ATOM 249 CE1 TYR A 17 -2.273 16.160 -4.092 1.00 0.00 C ATOM 250 CE2 TYR A 17 -1.675 16.821 -6.347 1.00 0.00 C ATOM 251 CZ TYR A 17 -1.764 17.114 -4.981 1.00 0.00 C ATOM 252 OH TYR A 17 -1.351 18.344 -4.510 1.00 0.00 O ATOM 0 H TYR A 17 -4.876 12.886 -4.702 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.768 14.220 -7.346 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.851 12.501 -5.707 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.491 13.007 -7.346 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.085 14.176 -3.884 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.023 15.347 -7.879 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.343 16.387 -3.038 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.284 17.558 -7.033 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.024 18.887 -5.257 1.00 0.00 H new ATOM 262 N HIS A 18 -5.898 11.333 -7.084 1.00 0.00 N ATOM 263 CA HIS A 18 -6.337 10.114 -7.818 1.00 0.00 C ATOM 264 C HIS A 18 -5.114 9.349 -8.326 1.00 0.00 C ATOM 265 O HIS A 18 -5.017 9.010 -9.488 1.00 0.00 O ATOM 266 CB HIS A 18 -7.223 10.526 -8.994 1.00 0.00 C ATOM 267 CG HIS A 18 -8.546 11.004 -8.462 1.00 0.00 C ATOM 268 ND1 HIS A 18 -8.945 11.374 -7.201 1.00 0.00 N flip ATOM 269 CD2 HIS A 18 -9.666 11.138 -9.267 1.00 0.00 C flip ATOM 270 CE1 HIS A 18 -10.289 11.732 -7.220 1.00 0.00 C flip ATOM 271 NE2 HIS A 18 -10.675 11.571 -8.487 1.00 0.00 N flip ATOM 0 H HIS A 18 -6.391 11.512 -6.209 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.904 9.467 -7.148 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.741 11.315 -9.571 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.370 9.683 -9.669 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.720 10.933 -10.326 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.891 12.068 -6.388 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.620 11.754 -8.824 1.00 0.00 H new ATOM 279 N LYS A 19 -4.182 9.071 -7.455 1.00 0.00 N ATOM 280 CA LYS A 19 -2.962 8.323 -7.871 1.00 0.00 C ATOM 281 C LYS A 19 -2.002 8.228 -6.684 1.00 0.00 C ATOM 282 O LYS A 19 -1.695 9.215 -6.046 1.00 0.00 O ATOM 283 CB LYS A 19 -2.273 9.057 -9.022 1.00 0.00 C ATOM 284 CG LYS A 19 -1.830 10.444 -8.551 1.00 0.00 C ATOM 285 CD LYS A 19 -1.821 11.408 -9.739 1.00 0.00 C ATOM 286 CE LYS A 19 -0.828 10.911 -10.791 1.00 0.00 C ATOM 287 NZ LYS A 19 -0.219 12.078 -11.490 1.00 0.00 N ATOM 0 H LYS A 19 -4.214 9.331 -6.469 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.244 7.323 -8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.411 8.486 -9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.954 9.149 -9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.505 10.810 -7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.836 10.389 -8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.819 11.479 -10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.545 12.409 -9.407 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.051 10.311 -10.318 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.335 10.267 -11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.456 11.741 -12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.966 12.633 -11.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.278 12.676 -10.799 1.00 0.00 H new ATOM 301 N LEU A 20 -1.524 7.051 -6.384 1.00 0.00 N ATOM 302 CA LEU A 20 -0.583 6.901 -5.239 1.00 0.00 C ATOM 303 C LEU A 20 0.450 8.030 -5.287 1.00 0.00 C ATOM 304 O LEU A 20 0.644 8.645 -6.317 1.00 0.00 O ATOM 305 CB LEU A 20 0.143 5.555 -5.345 1.00 0.00 C ATOM 306 CG LEU A 20 -0.781 4.422 -4.894 1.00 0.00 C ATOM 307 CD1 LEU A 20 0.031 3.134 -4.747 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.412 4.779 -3.546 1.00 0.00 C ATOM 0 H LEU A 20 -1.744 6.188 -6.882 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.139 6.944 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.463 5.386 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.042 5.568 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.567 4.279 -5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.625 2.325 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.482 2.877 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.816 3.281 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.070 3.971 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.627 4.923 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.989 5.698 -3.646 1.00 0.00 H new ATOM 320 N PRO A 21 1.091 8.265 -4.171 1.00 0.00 N ATOM 321 CA PRO A 21 2.120 9.312 -4.065 1.00 0.00 C ATOM 322 C PRO A 21 3.180 9.128 -5.148 1.00 0.00 C ATOM 323 O PRO A 21 3.338 8.058 -5.703 1.00 0.00 O ATOM 324 CB PRO A 21 2.734 9.117 -2.674 1.00 0.00 C ATOM 325 CG PRO A 21 1.880 8.057 -1.931 1.00 0.00 C ATOM 326 CD PRO A 21 0.846 7.510 -2.929 1.00 0.00 C ATOM 0 HA PRO A 21 1.707 10.312 -4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.770 8.787 -2.755 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.742 10.058 -2.123 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.511 7.252 -1.554 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.382 8.502 -1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.974 6.439 -3.085 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.171 7.661 -2.568 1.00 0.00 H new ATOM 334 N ASP A 22 3.915 10.162 -5.447 1.00 0.00 N ATOM 335 CA ASP A 22 4.973 10.043 -6.485 1.00 0.00 C ATOM 336 C ASP A 22 6.136 9.225 -5.924 1.00 0.00 C ATOM 337 O ASP A 22 7.097 8.943 -6.612 1.00 0.00 O ATOM 338 CB ASP A 22 5.467 11.438 -6.875 1.00 0.00 C ATOM 339 CG ASP A 22 6.156 11.373 -8.239 1.00 0.00 C ATOM 340 OD1 ASP A 22 7.320 11.007 -8.276 1.00 0.00 O ATOM 341 OD2 ASP A 22 5.510 11.690 -9.224 1.00 0.00 O ATOM 0 H ASP A 22 3.828 11.083 -5.017 1.00 0.00 H new ATOM 0 HA ASP A 22 4.568 9.546 -7.367 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.630 12.135 -6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.161 11.813 -6.123 1.00 0.00 H new ATOM 346 N ASN A 23 6.060 8.840 -4.677 1.00 0.00 N ATOM 347 CA ASN A 23 7.165 8.040 -4.080 1.00 0.00 C ATOM 348 C ASN A 23 6.637 6.665 -3.664 1.00 0.00 C ATOM 349 O ASN A 23 7.067 6.098 -2.680 1.00 0.00 O ATOM 350 CB ASN A 23 7.717 8.769 -2.852 1.00 0.00 C ATOM 351 CG ASN A 23 6.587 9.010 -1.849 1.00 0.00 C ATOM 352 OD1 ASN A 23 5.933 10.033 -1.887 1.00 0.00 O ATOM 353 ND2 ASN A 23 6.329 8.105 -0.945 1.00 0.00 N ATOM 0 H ASN A 23 5.282 9.045 -4.049 1.00 0.00 H new ATOM 0 HA ASN A 23 7.959 7.914 -4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.507 8.178 -2.390 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.162 9.719 -3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.579 8.257 -0.271 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.878 7.246 -0.912 1.00 0.00 H new ATOM 360 N TYR A 24 5.711 6.122 -4.408 1.00 0.00 N ATOM 361 CA TYR A 24 5.161 4.782 -4.053 1.00 0.00 C ATOM 362 C TYR A 24 5.517 3.776 -5.149 1.00 0.00 C ATOM 363 O TYR A 24 4.786 3.600 -6.104 1.00 0.00 O ATOM 364 CB TYR A 24 3.639 4.867 -3.922 1.00 0.00 C ATOM 365 CG TYR A 24 3.256 5.000 -2.465 1.00 0.00 C ATOM 366 CD1 TYR A 24 4.174 5.515 -1.540 1.00 0.00 C ATOM 367 CD2 TYR A 24 1.981 4.608 -2.040 1.00 0.00 C ATOM 368 CE1 TYR A 24 3.816 5.637 -0.193 1.00 0.00 C ATOM 369 CE2 TYR A 24 1.623 4.731 -0.693 1.00 0.00 C ATOM 370 CZ TYR A 24 2.540 5.245 0.231 1.00 0.00 C ATOM 371 OH TYR A 24 2.187 5.366 1.559 1.00 0.00 O ATOM 0 H TYR A 24 5.312 6.548 -5.245 1.00 0.00 H new ATOM 0 HA TYR A 24 5.590 4.458 -3.105 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.264 5.721 -4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.178 3.976 -4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.158 5.818 -1.867 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.273 4.210 -2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.524 6.034 0.520 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.639 4.429 -0.366 1.00 0.00 H new ATOM 0 HH TYR A 24 1.927 4.489 1.910 1.00 0.00 H new ATOM 381 N ILE A 25 6.631 3.111 -5.019 1.00 0.00 N ATOM 382 CA ILE A 25 7.028 2.115 -6.051 1.00 0.00 C ATOM 383 C ILE A 25 6.618 0.717 -5.583 1.00 0.00 C ATOM 384 O ILE A 25 6.992 0.280 -4.515 1.00 0.00 O ATOM 385 CB ILE A 25 8.543 2.164 -6.253 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.242 1.974 -4.904 1.00 0.00 C ATOM 387 CG2 ILE A 25 8.936 3.518 -6.844 1.00 0.00 C ATOM 388 CD1 ILE A 25 10.301 0.877 -5.027 1.00 0.00 C ATOM 0 H ILE A 25 7.284 3.215 -4.242 1.00 0.00 H new ATOM 0 HA ILE A 25 6.532 2.346 -6.994 1.00 0.00 H new ATOM 0 HB ILE A 25 8.845 1.369 -6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.706 2.908 -4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.513 1.706 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.016 3.553 -6.988 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.438 3.655 -7.804 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.635 4.314 -6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.798 0.742 -4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.824 -0.057 -5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.036 1.164 -5.779 1.00 0.00 H new ATOM 400 N THR A 26 5.849 0.015 -6.371 1.00 0.00 N ATOM 401 CA THR A 26 5.414 -1.352 -5.964 1.00 0.00 C ATOM 402 C THR A 26 6.611 -2.130 -5.414 1.00 0.00 C ATOM 403 O THR A 26 7.738 -1.682 -5.476 1.00 0.00 O ATOM 404 CB THR A 26 4.841 -2.088 -7.175 1.00 0.00 C ATOM 405 OG1 THR A 26 5.904 -2.526 -8.009 1.00 0.00 O ATOM 406 CG2 THR A 26 3.926 -1.147 -7.961 1.00 0.00 C ATOM 0 H THR A 26 5.504 0.329 -7.278 1.00 0.00 H new ATOM 0 HA THR A 26 4.649 -1.272 -5.192 1.00 0.00 H new ATOM 0 HB THR A 26 4.266 -2.950 -6.837 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.242 -1.770 -8.532 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.518 -1.673 -8.824 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.110 -0.814 -7.320 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.497 -0.283 -8.300 1.00 0.00 H new ATOM 414 N LYS A 27 6.379 -3.299 -4.877 1.00 0.00 N ATOM 415 CA LYS A 27 7.518 -4.092 -4.329 1.00 0.00 C ATOM 416 C LYS A 27 8.385 -4.585 -5.485 1.00 0.00 C ATOM 417 O LYS A 27 9.597 -4.541 -5.425 1.00 0.00 O ATOM 418 CB LYS A 27 7.019 -5.299 -3.518 1.00 0.00 C ATOM 419 CG LYS A 27 5.555 -5.112 -3.110 1.00 0.00 C ATOM 420 CD LYS A 27 4.645 -5.745 -4.164 1.00 0.00 C ATOM 421 CE LYS A 27 4.311 -7.181 -3.754 1.00 0.00 C ATOM 422 NZ LYS A 27 5.160 -8.129 -4.529 1.00 0.00 N ATOM 0 H LYS A 27 5.461 -3.735 -4.795 1.00 0.00 H new ATOM 0 HA LYS A 27 8.097 -3.450 -3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.123 -6.209 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.636 -5.425 -2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.376 -5.571 -2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.328 -4.051 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.729 -5.162 -4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.138 -5.738 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.481 -7.314 -2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.256 -7.387 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.761 -9.087 -4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.188 -7.835 -5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.125 -8.128 -4.141 1.00 0.00 H new ATOM 436 N SER A 28 7.778 -5.044 -6.545 1.00 0.00 N ATOM 437 CA SER A 28 8.582 -5.523 -7.702 1.00 0.00 C ATOM 438 C SER A 28 9.542 -4.410 -8.113 1.00 0.00 C ATOM 439 O SER A 28 10.677 -4.649 -8.481 1.00 0.00 O ATOM 440 CB SER A 28 7.655 -5.861 -8.870 1.00 0.00 C ATOM 441 OG SER A 28 8.252 -6.878 -9.664 1.00 0.00 O ATOM 0 H SER A 28 6.766 -5.108 -6.659 1.00 0.00 H new ATOM 0 HA SER A 28 9.140 -6.418 -7.426 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.688 -6.196 -8.496 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.473 -4.972 -9.474 1.00 0.00 H new ATOM 0 HG SER A 28 7.660 -7.098 -10.413 1.00 0.00 H new ATOM 447 N GLU A 29 9.093 -3.187 -8.038 1.00 0.00 N ATOM 448 CA GLU A 29 9.973 -2.048 -8.406 1.00 0.00 C ATOM 449 C GLU A 29 11.200 -2.064 -7.498 1.00 0.00 C ATOM 450 O GLU A 29 12.317 -1.900 -7.944 1.00 0.00 O ATOM 451 CB GLU A 29 9.214 -0.733 -8.222 1.00 0.00 C ATOM 452 CG GLU A 29 8.960 -0.091 -9.587 1.00 0.00 C ATOM 453 CD GLU A 29 7.645 0.691 -9.547 1.00 0.00 C ATOM 454 OE1 GLU A 29 6.611 0.064 -9.387 1.00 0.00 O ATOM 455 OE2 GLU A 29 7.696 1.903 -9.678 1.00 0.00 O ATOM 0 H GLU A 29 8.153 -2.930 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 29 10.281 -2.137 -9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.268 -0.916 -7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.789 -0.055 -7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.783 0.574 -9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.915 -0.859 -10.359 1.00 0.00 H new ATOM 462 N ALA A 30 11.003 -2.274 -6.223 1.00 0.00 N ATOM 463 CA ALA A 30 12.166 -2.313 -5.296 1.00 0.00 C ATOM 464 C ALA A 30 13.083 -3.462 -5.713 1.00 0.00 C ATOM 465 O ALA A 30 14.291 -3.346 -5.697 1.00 0.00 O ATOM 466 CB ALA A 30 11.678 -2.536 -3.863 1.00 0.00 C ATOM 0 H ALA A 30 10.092 -2.419 -5.788 1.00 0.00 H new ATOM 0 HA ALA A 30 12.708 -1.369 -5.340 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.533 -2.564 -3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.014 -1.722 -3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.139 -3.482 -3.805 1.00 0.00 H new ATOM 472 N GLN A 31 12.510 -4.570 -6.095 1.00 0.00 N ATOM 473 CA GLN A 31 13.342 -5.726 -6.524 1.00 0.00 C ATOM 474 C GLN A 31 14.164 -5.309 -7.742 1.00 0.00 C ATOM 475 O GLN A 31 15.290 -5.729 -7.919 1.00 0.00 O ATOM 476 CB GLN A 31 12.435 -6.901 -6.895 1.00 0.00 C ATOM 477 CG GLN A 31 11.586 -7.293 -5.684 1.00 0.00 C ATOM 478 CD GLN A 31 10.874 -8.618 -5.966 1.00 0.00 C ATOM 479 OE1 GLN A 31 9.671 -8.650 -6.138 1.00 0.00 O ATOM 480 NE2 GLN A 31 11.570 -9.719 -6.024 1.00 0.00 N ATOM 0 H GLN A 31 11.502 -4.724 -6.128 1.00 0.00 H new ATOM 0 HA GLN A 31 14.004 -6.030 -5.713 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.791 -6.627 -7.731 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.036 -7.750 -7.221 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.217 -7.388 -4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.855 -6.513 -5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.579 -9.692 -5.880 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.105 -10.607 -6.214 1.00 0.00 H new ATOM 489 N ALA A 32 13.606 -4.481 -8.583 1.00 0.00 N ATOM 490 CA ALA A 32 14.350 -4.031 -9.785 1.00 0.00 C ATOM 491 C ALA A 32 15.609 -3.288 -9.352 1.00 0.00 C ATOM 492 O ALA A 32 16.637 -3.341 -9.999 1.00 0.00 O ATOM 493 CB ALA A 32 13.465 -3.102 -10.620 1.00 0.00 C ATOM 0 H ALA A 32 12.665 -4.098 -8.486 1.00 0.00 H new ATOM 0 HA ALA A 32 14.628 -4.897 -10.386 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.014 -2.773 -11.502 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.567 -3.636 -10.930 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.183 -2.234 -10.023 1.00 0.00 H new ATOM 499 N LEU A 33 15.528 -2.596 -8.260 1.00 0.00 N ATOM 500 CA LEU A 33 16.704 -1.833 -7.757 1.00 0.00 C ATOM 501 C LEU A 33 17.651 -2.768 -7.005 1.00 0.00 C ATOM 502 O LEU A 33 18.784 -2.431 -6.724 1.00 0.00 O ATOM 503 CB LEU A 33 16.212 -0.729 -6.835 1.00 0.00 C ATOM 504 CG LEU A 33 15.438 0.280 -7.676 1.00 0.00 C ATOM 505 CD1 LEU A 33 13.937 0.061 -7.490 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.822 1.690 -7.243 1.00 0.00 C ATOM 0 H LEU A 33 14.690 -2.522 -7.684 1.00 0.00 H new ATOM 0 HA LEU A 33 17.247 -1.395 -8.594 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.574 -1.142 -6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.053 -0.245 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 33 15.683 0.148 -8.730 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.386 0.784 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.675 -0.949 -7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.678 0.192 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.272 2.417 -7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.577 1.827 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.892 1.836 -7.388 1.00 0.00 H new ATOM 518 N GLY A 34 17.192 -3.942 -6.682 1.00 0.00 N ATOM 519 CA GLY A 34 18.058 -4.912 -5.952 1.00 0.00 C ATOM 520 C GLY A 34 17.525 -5.112 -4.531 1.00 0.00 C ATOM 521 O GLY A 34 18.272 -5.097 -3.572 1.00 0.00 O ATOM 0 H GLY A 34 16.251 -4.275 -6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.079 -5.865 -6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.084 -4.544 -5.918 1.00 0.00 H new ATOM 525 N TRP A 35 16.241 -5.302 -4.385 1.00 0.00 N ATOM 526 CA TRP A 35 15.669 -5.504 -3.024 1.00 0.00 C ATOM 527 C TRP A 35 15.278 -6.971 -2.841 1.00 0.00 C ATOM 528 O TRP A 35 14.622 -7.561 -3.677 1.00 0.00 O ATOM 529 CB TRP A 35 14.431 -4.603 -2.847 1.00 0.00 C ATOM 530 CG TRP A 35 13.452 -5.222 -1.884 1.00 0.00 C ATOM 531 CD1 TRP A 35 13.687 -5.464 -0.573 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.096 -5.681 -2.145 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.555 -6.042 -0.017 1.00 0.00 N ATOM 534 CE2 TRP A 35 11.548 -6.194 -0.947 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.298 -5.700 -3.298 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.249 -6.706 -0.897 1.00 0.00 C ATOM 537 CZ3 TRP A 35 9.991 -6.213 -3.253 1.00 0.00 C ATOM 538 CH2 TRP A 35 9.469 -6.715 -2.052 1.00 0.00 C ATOM 0 H TRP A 35 15.565 -5.326 -5.149 1.00 0.00 H new ATOM 0 HA TRP A 35 16.415 -5.240 -2.274 1.00 0.00 H new ATOM 0 HB2 TRP A 35 14.738 -3.623 -2.481 1.00 0.00 H new ATOM 0 HB3 TRP A 35 13.949 -4.446 -3.812 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.604 -5.244 -0.047 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.477 -6.321 0.961 1.00 0.00 H new ATOM 0 HE3 TRP A 35 11.691 -5.317 -4.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 9.852 -7.092 0.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 9.385 -6.221 -4.147 1.00 0.00 H new ATOM 0 HH2 TRP A 35 8.464 -7.108 -2.022 1.00 0.00 H new ATOM 549 N VAL A 36 15.648 -7.551 -1.736 1.00 0.00 N ATOM 550 CA VAL A 36 15.268 -8.962 -1.476 1.00 0.00 C ATOM 551 C VAL A 36 13.921 -8.946 -0.760 1.00 0.00 C ATOM 552 O VAL A 36 13.708 -8.168 0.147 1.00 0.00 O ATOM 553 CB VAL A 36 16.321 -9.629 -0.588 1.00 0.00 C ATOM 554 CG1 VAL A 36 16.230 -9.059 0.830 1.00 0.00 C ATOM 555 CG2 VAL A 36 16.071 -11.139 -0.546 1.00 0.00 C ATOM 0 H VAL A 36 16.198 -7.107 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 36 15.203 -9.522 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 36 17.313 -9.435 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.980 -9.534 1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.408 -7.984 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.237 -9.252 1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.821 -11.614 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 36 15.078 -11.332 -0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.136 -11.547 -1.555 1.00 0.00 H new ATOM 565 N ALA A 37 12.999 -9.773 -1.162 1.00 0.00 N ATOM 566 CA ALA A 37 11.669 -9.753 -0.494 1.00 0.00 C ATOM 567 C ALA A 37 11.800 -10.145 0.979 1.00 0.00 C ATOM 568 O ALA A 37 10.845 -10.080 1.723 1.00 0.00 O ATOM 569 CB ALA A 37 10.711 -10.705 -1.199 1.00 0.00 C ATOM 0 H ALA A 37 13.105 -10.454 -1.914 1.00 0.00 H new ATOM 0 HA ALA A 37 11.272 -8.740 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.742 -10.681 -0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.592 -10.398 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.112 -11.718 -1.163 1.00 0.00 H new ATOM 575 N SER A 38 12.969 -10.533 1.420 1.00 0.00 N ATOM 576 CA SER A 38 13.128 -10.894 2.856 1.00 0.00 C ATOM 577 C SER A 38 12.450 -9.816 3.703 1.00 0.00 C ATOM 578 O SER A 38 12.029 -10.059 4.815 1.00 0.00 O ATOM 579 CB SER A 38 14.614 -10.963 3.208 1.00 0.00 C ATOM 580 OG SER A 38 15.102 -9.649 3.446 1.00 0.00 O ATOM 0 H SER A 38 13.812 -10.614 0.852 1.00 0.00 H new ATOM 0 HA SER A 38 12.674 -11.866 3.050 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.762 -11.584 4.092 1.00 0.00 H new ATOM 0 HB3 SER A 38 15.171 -11.428 2.395 1.00 0.00 H new ATOM 0 HG SER A 38 16.054 -9.690 3.674 1.00 0.00 H new ATOM 586 N LYS A 39 12.339 -8.626 3.170 1.00 0.00 N ATOM 587 CA LYS A 39 11.684 -7.519 3.920 1.00 0.00 C ATOM 588 C LYS A 39 12.597 -7.049 5.046 1.00 0.00 C ATOM 589 O LYS A 39 12.144 -6.750 6.126 1.00 0.00 O ATOM 590 CB LYS A 39 10.361 -8.008 4.516 1.00 0.00 C ATOM 591 CG LYS A 39 9.538 -8.712 3.436 1.00 0.00 C ATOM 592 CD LYS A 39 8.050 -8.441 3.666 1.00 0.00 C ATOM 593 CE LYS A 39 7.281 -8.669 2.363 1.00 0.00 C ATOM 594 NZ LYS A 39 6.179 -9.644 2.600 1.00 0.00 N ATOM 0 H LYS A 39 12.677 -8.375 2.241 1.00 0.00 H new ATOM 0 HA LYS A 39 11.492 -6.692 3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.554 -8.691 5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.801 -7.166 4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.834 -8.356 2.449 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.730 -9.785 3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.666 -9.098 4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.905 -7.417 4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.874 -7.726 1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.954 -9.045 1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.656 -9.799 1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.578 -10.546 2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.532 -9.268 3.322 1.00 0.00 H new ATOM 608 N GLY A 40 13.877 -6.983 4.813 1.00 0.00 N ATOM 609 CA GLY A 40 14.799 -6.533 5.895 1.00 0.00 C ATOM 610 C GLY A 40 15.756 -5.461 5.368 1.00 0.00 C ATOM 611 O GLY A 40 16.219 -4.617 6.111 1.00 0.00 O ATOM 0 H GLY A 40 14.324 -7.219 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.223 -6.136 6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 40 15.367 -7.382 6.274 1.00 0.00 H new ATOM 615 N ASN A 41 16.070 -5.483 4.100 1.00 0.00 N ATOM 616 CA ASN A 41 17.010 -4.462 3.555 1.00 0.00 C ATOM 617 C ASN A 41 16.336 -3.666 2.434 1.00 0.00 C ATOM 618 O ASN A 41 16.975 -3.247 1.489 1.00 0.00 O ATOM 619 CB ASN A 41 18.257 -5.159 3.007 1.00 0.00 C ATOM 620 CG ASN A 41 17.857 -6.124 1.889 1.00 0.00 C ATOM 621 OD1 ASN A 41 17.597 -7.285 2.137 1.00 0.00 O ATOM 622 ND2 ASN A 41 17.798 -5.691 0.659 1.00 0.00 N ATOM 0 H ASN A 41 15.719 -6.159 3.422 1.00 0.00 H new ATOM 0 HA ASN A 41 17.292 -3.777 4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 41 18.962 -4.419 2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 41 18.763 -5.702 3.806 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.534 -6.327 -0.093 1.00 0.00 H new ATOM 0 HD22 ASN A 41 18.016 -4.717 0.450 1.00 0.00 H new ATOM 629 N LEU A 42 15.055 -3.440 2.531 1.00 0.00 N ATOM 630 CA LEU A 42 14.358 -2.659 1.468 1.00 0.00 C ATOM 631 C LEU A 42 14.973 -1.268 1.384 1.00 0.00 C ATOM 632 O LEU A 42 15.559 -0.888 0.390 1.00 0.00 O ATOM 633 CB LEU A 42 12.879 -2.513 1.823 1.00 0.00 C ATOM 634 CG LEU A 42 12.130 -1.826 0.672 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.620 -2.365 -0.674 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.632 -2.100 0.802 1.00 0.00 C ATOM 0 H LEU A 42 14.462 -3.760 3.297 1.00 0.00 H new ATOM 0 HA LEU A 42 14.462 -3.179 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.444 -3.494 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.772 -1.930 2.738 1.00 0.00 H new ATOM 0 HG LEU A 42 12.319 -0.754 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.081 -1.870 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.688 -2.170 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.441 -3.439 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.101 -1.612 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.454 -3.175 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.272 -1.709 1.754 1.00 0.00 H new ATOM 648 N ALA A 43 14.832 -0.506 2.428 1.00 0.00 N ATOM 649 CA ALA A 43 15.395 0.875 2.438 1.00 0.00 C ATOM 650 C ALA A 43 16.918 0.826 2.267 1.00 0.00 C ATOM 651 O ALA A 43 17.559 1.839 2.069 1.00 0.00 O ATOM 652 CB ALA A 43 15.058 1.552 3.769 1.00 0.00 C ATOM 0 H ALA A 43 14.348 -0.780 3.283 1.00 0.00 H new ATOM 0 HA ALA A 43 14.961 1.441 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.469 2.562 3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.976 1.600 3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.489 0.978 4.589 1.00 0.00 H new ATOM 658 N ASP A 44 17.506 -0.339 2.344 1.00 0.00 N ATOM 659 CA ASP A 44 18.985 -0.437 2.188 1.00 0.00 C ATOM 660 C ASP A 44 19.350 -0.373 0.703 1.00 0.00 C ATOM 661 O ASP A 44 20.420 0.069 0.336 1.00 0.00 O ATOM 662 CB ASP A 44 19.469 -1.767 2.772 1.00 0.00 C ATOM 663 CG ASP A 44 20.998 -1.803 2.761 1.00 0.00 C ATOM 664 OD1 ASP A 44 21.598 -0.816 3.154 1.00 0.00 O ATOM 665 OD2 ASP A 44 21.544 -2.819 2.360 1.00 0.00 O ATOM 0 H ASP A 44 17.026 -1.224 2.508 1.00 0.00 H new ATOM 0 HA ASP A 44 19.461 0.390 2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.099 -1.885 3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.071 -2.598 2.190 1.00 0.00 H new ATOM 670 N VAL A 45 18.471 -0.814 -0.155 1.00 0.00 N ATOM 671 CA VAL A 45 18.770 -0.779 -1.614 1.00 0.00 C ATOM 672 C VAL A 45 17.890 0.272 -2.296 1.00 0.00 C ATOM 673 O VAL A 45 18.126 0.654 -3.425 1.00 0.00 O ATOM 674 CB VAL A 45 18.486 -2.154 -2.222 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.135 -3.238 -1.359 1.00 0.00 C ATOM 676 CG2 VAL A 45 16.974 -2.384 -2.277 1.00 0.00 C ATOM 0 H VAL A 45 17.558 -1.197 0.092 1.00 0.00 H new ATOM 0 HA VAL A 45 19.819 -0.522 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 45 18.898 -2.197 -3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 45 18.933 -4.218 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.212 -3.075 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 45 18.723 -3.195 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.770 -3.363 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.562 -2.340 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.511 -1.612 -2.892 1.00 0.00 H new ATOM 686 N ALA A 46 16.877 0.743 -1.621 1.00 0.00 N ATOM 687 CA ALA A 46 15.985 1.768 -2.233 1.00 0.00 C ATOM 688 C ALA A 46 15.497 2.733 -1.149 1.00 0.00 C ATOM 689 O ALA A 46 14.328 2.749 -0.817 1.00 0.00 O ATOM 690 CB ALA A 46 14.782 1.077 -2.881 1.00 0.00 C ATOM 0 H ALA A 46 16.629 0.462 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 46 16.537 2.323 -2.992 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.129 1.827 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.129 0.390 -3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.230 0.521 -2.123 1.00 0.00 H new ATOM 696 N PRO A 47 16.412 3.512 -0.629 1.00 0.00 N ATOM 697 CA PRO A 47 16.101 4.494 0.424 1.00 0.00 C ATOM 698 C PRO A 47 15.095 5.526 -0.094 1.00 0.00 C ATOM 699 O PRO A 47 14.987 5.759 -1.282 1.00 0.00 O ATOM 700 CB PRO A 47 17.444 5.164 0.745 1.00 0.00 C ATOM 701 CG PRO A 47 18.518 4.541 -0.184 1.00 0.00 C ATOM 702 CD PRO A 47 17.825 3.477 -1.050 1.00 0.00 C ATOM 0 HA PRO A 47 15.654 4.031 1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 47 17.381 6.241 0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 47 17.708 5.009 1.791 1.00 0.00 H new ATOM 0 HG2 PRO A 47 18.973 5.308 -0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 47 19.319 4.093 0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 47 17.927 3.703 -2.111 1.00 0.00 H new ATOM 0 HD3 PRO A 47 18.261 2.491 -0.890 1.00 0.00 H new ATOM 710 N GLY A 48 14.359 6.145 0.789 1.00 0.00 N ATOM 711 CA GLY A 48 13.362 7.161 0.346 1.00 0.00 C ATOM 712 C GLY A 48 12.465 6.562 -0.738 1.00 0.00 C ATOM 713 O GLY A 48 12.335 7.103 -1.817 1.00 0.00 O ATOM 0 H GLY A 48 14.405 5.991 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.758 7.486 1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.873 8.044 -0.038 1.00 0.00 H new ATOM 717 N LYS A 49 11.846 5.448 -0.460 1.00 0.00 N ATOM 718 CA LYS A 49 10.957 4.817 -1.476 1.00 0.00 C ATOM 719 C LYS A 49 9.896 3.971 -0.770 1.00 0.00 C ATOM 720 O LYS A 49 10.204 3.041 -0.051 1.00 0.00 O ATOM 721 CB LYS A 49 11.790 3.927 -2.402 1.00 0.00 C ATOM 722 CG LYS A 49 11.665 4.431 -3.842 1.00 0.00 C ATOM 723 CD LYS A 49 12.947 5.162 -4.241 1.00 0.00 C ATOM 724 CE LYS A 49 12.885 5.531 -5.724 1.00 0.00 C ATOM 725 NZ LYS A 49 12.530 6.971 -5.864 1.00 0.00 N ATOM 0 H LYS A 49 11.917 4.948 0.426 1.00 0.00 H new ATOM 0 HA LYS A 49 10.469 5.594 -2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.835 3.937 -2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.448 2.894 -2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.486 3.594 -4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.810 5.101 -3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.068 6.061 -3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.814 4.529 -4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.846 5.335 -6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.146 4.912 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.488 7.222 -6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.603 7.144 -5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.251 7.554 -5.392 1.00 0.00 H new ATOM 739 N SER A 50 8.646 4.288 -0.970 1.00 0.00 N ATOM 740 CA SER A 50 7.562 3.507 -0.312 1.00 0.00 C ATOM 741 C SER A 50 7.117 2.369 -1.234 1.00 0.00 C ATOM 742 O SER A 50 7.438 2.346 -2.406 1.00 0.00 O ATOM 743 CB SER A 50 6.374 4.427 -0.025 1.00 0.00 C ATOM 744 OG SER A 50 6.326 4.711 1.367 1.00 0.00 O ATOM 0 H SER A 50 8.329 5.056 -1.562 1.00 0.00 H new ATOM 0 HA SER A 50 7.933 3.089 0.624 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.470 5.352 -0.594 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.446 3.952 -0.343 1.00 0.00 H new ATOM 0 HG SER A 50 6.248 5.679 1.501 1.00 0.00 H new ATOM 750 N ILE A 51 6.379 1.424 -0.715 1.00 0.00 N ATOM 751 CA ILE A 51 5.916 0.290 -1.563 1.00 0.00 C ATOM 752 C ILE A 51 4.398 0.369 -1.745 1.00 0.00 C ATOM 753 O ILE A 51 3.640 0.104 -0.833 1.00 0.00 O ATOM 754 CB ILE A 51 6.271 -1.033 -0.884 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.733 -0.989 -0.400 1.00 0.00 C ATOM 756 CG2 ILE A 51 6.069 -2.182 -1.876 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.682 -1.493 -1.494 1.00 0.00 C ATOM 0 H ILE A 51 6.078 1.389 0.259 1.00 0.00 H new ATOM 0 HA ILE A 51 6.404 0.347 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 51 5.623 -1.192 -0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.999 0.031 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.844 -1.602 0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.321 -3.127 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.028 -2.206 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.714 -2.032 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.709 -1.453 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.427 -2.521 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.585 -0.863 -2.378 1.00 0.00 H new ATOM 769 N GLY A 52 3.943 0.725 -2.916 1.00 0.00 N ATOM 770 CA GLY A 52 2.471 0.815 -3.142 1.00 0.00 C ATOM 771 C GLY A 52 2.178 0.801 -4.643 1.00 0.00 C ATOM 772 O GLY A 52 3.015 1.149 -5.453 1.00 0.00 O ATOM 0 H GLY A 52 4.523 0.956 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.967 -0.020 -2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.080 1.728 -2.694 1.00 0.00 H new ATOM 776 N GLY A 53 0.993 0.403 -5.020 1.00 0.00 N ATOM 777 CA GLY A 53 0.646 0.370 -6.469 1.00 0.00 C ATOM 778 C GLY A 53 0.653 -1.076 -6.968 1.00 0.00 C ATOM 779 O GLY A 53 0.981 -1.348 -8.106 1.00 0.00 O ATOM 0 H GLY A 53 0.252 0.100 -4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.336 0.815 -6.628 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.361 0.965 -7.038 1.00 0.00 H new ATOM 783 N ASP A 54 0.292 -2.008 -6.128 1.00 0.00 N ATOM 784 CA ASP A 54 0.277 -3.433 -6.562 1.00 0.00 C ATOM 785 C ASP A 54 -1.169 -3.915 -6.672 1.00 0.00 C ATOM 786 O ASP A 54 -2.059 -3.392 -6.032 1.00 0.00 O ATOM 787 CB ASP A 54 1.021 -4.292 -5.537 1.00 0.00 C ATOM 788 CG ASP A 54 2.225 -4.957 -6.207 1.00 0.00 C ATOM 789 OD1 ASP A 54 2.759 -4.372 -7.136 1.00 0.00 O ATOM 790 OD2 ASP A 54 2.592 -6.039 -5.781 1.00 0.00 O ATOM 0 H ASP A 54 0.008 -1.844 -5.162 1.00 0.00 H new ATOM 0 HA ASP A 54 0.768 -3.520 -7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.351 -3.675 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.353 -5.051 -5.129 1.00 0.00 H new ATOM 795 N ILE A 55 -1.411 -4.909 -7.479 1.00 0.00 N ATOM 796 CA ILE A 55 -2.800 -5.424 -7.631 1.00 0.00 C ATOM 797 C ILE A 55 -3.219 -6.154 -6.352 1.00 0.00 C ATOM 798 O ILE A 55 -2.403 -6.710 -5.646 1.00 0.00 O ATOM 799 CB ILE A 55 -2.857 -6.394 -8.815 1.00 0.00 C ATOM 800 CG1 ILE A 55 -2.755 -5.607 -10.124 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.181 -7.159 -8.786 1.00 0.00 C ATOM 802 CD1 ILE A 55 -4.050 -4.826 -10.356 1.00 0.00 C ATOM 0 H ILE A 55 -0.707 -5.388 -8.040 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.479 -4.590 -7.810 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.028 -7.098 -8.746 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.908 -4.922 -10.083 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.575 -6.288 -10.956 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.221 -7.849 -9.629 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.257 -7.719 -7.854 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.010 -6.454 -8.854 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.975 -4.266 -11.288 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.888 -5.520 -10.416 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.211 -4.134 -9.529 1.00 0.00 H new ATOM 814 N PHE A 56 -4.490 -6.159 -6.055 1.00 0.00 N ATOM 815 CA PHE A 56 -4.972 -6.857 -4.829 1.00 0.00 C ATOM 816 C PHE A 56 -6.129 -7.784 -5.208 1.00 0.00 C ATOM 817 O PHE A 56 -7.282 -7.400 -5.181 1.00 0.00 O ATOM 818 CB PHE A 56 -5.449 -5.821 -3.804 1.00 0.00 C ATOM 819 CG PHE A 56 -5.781 -6.510 -2.503 1.00 0.00 C ATOM 820 CD1 PHE A 56 -4.755 -6.930 -1.649 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.118 -6.728 -2.151 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.065 -7.567 -0.442 1.00 0.00 C ATOM 823 CE2 PHE A 56 -7.428 -7.366 -0.944 1.00 0.00 C ATOM 824 CZ PHE A 56 -6.402 -7.785 -0.090 1.00 0.00 C ATOM 0 H PHE A 56 -5.217 -5.708 -6.610 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.163 -7.442 -4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.674 -5.071 -3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.326 -5.297 -4.183 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.723 -6.762 -1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.910 -6.404 -2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.273 -7.890 0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.459 -7.535 -0.672 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.642 -8.277 0.841 1.00 0.00 H new ATOM 834 N SER A 57 -5.829 -9.003 -5.574 1.00 0.00 N ATOM 835 CA SER A 57 -6.907 -9.955 -5.970 1.00 0.00 C ATOM 836 C SER A 57 -7.815 -10.245 -4.777 1.00 0.00 C ATOM 837 O SER A 57 -8.864 -10.844 -4.913 1.00 0.00 O ATOM 838 CB SER A 57 -6.278 -11.260 -6.460 1.00 0.00 C ATOM 839 OG SER A 57 -7.216 -11.957 -7.269 1.00 0.00 O ATOM 0 H SER A 57 -4.882 -9.380 -5.616 1.00 0.00 H new ATOM 0 HA SER A 57 -7.500 -9.510 -6.769 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.373 -11.050 -7.031 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.983 -11.877 -5.611 1.00 0.00 H new ATOM 0 HG SER A 57 -8.112 -11.868 -6.882 1.00 0.00 H new ATOM 845 N ASN A 58 -7.427 -9.823 -3.608 1.00 0.00 N ATOM 846 CA ASN A 58 -8.276 -10.076 -2.411 1.00 0.00 C ATOM 847 C ASN A 58 -8.353 -11.582 -2.147 1.00 0.00 C ATOM 848 O ASN A 58 -9.421 -12.145 -2.018 1.00 0.00 O ATOM 849 CB ASN A 58 -9.682 -9.528 -2.669 1.00 0.00 C ATOM 850 CG ASN A 58 -10.503 -9.582 -1.379 1.00 0.00 C ATOM 851 OD1 ASN A 58 -9.979 -9.869 -0.322 1.00 0.00 O ATOM 852 ND2 ASN A 58 -11.779 -9.312 -1.423 1.00 0.00 N ATOM 0 H ASN A 58 -6.561 -9.315 -3.429 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.843 -9.581 -1.542 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.622 -8.501 -3.030 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -10.173 -10.112 -3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.336 -9.342 -0.569 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.219 -9.071 -2.311 1.00 0.00 H new ATOM 859 N ARG A 59 -7.226 -12.238 -2.068 1.00 0.00 N ATOM 860 CA ARG A 59 -7.234 -13.707 -1.814 1.00 0.00 C ATOM 861 C ARG A 59 -8.038 -14.002 -0.545 1.00 0.00 C ATOM 862 O ARG A 59 -8.954 -14.799 -0.549 1.00 0.00 O ATOM 863 CB ARG A 59 -5.797 -14.203 -1.634 1.00 0.00 C ATOM 864 CG ARG A 59 -5.798 -15.725 -1.478 1.00 0.00 C ATOM 865 CD ARG A 59 -4.559 -16.158 -0.692 1.00 0.00 C ATOM 866 NE ARG A 59 -3.688 -16.999 -1.562 1.00 0.00 N ATOM 867 CZ ARG A 59 -2.453 -17.239 -1.212 1.00 0.00 C ATOM 868 NH1 ARG A 59 -2.167 -17.501 0.033 1.00 0.00 N ATOM 869 NH2 ARG A 59 -1.506 -17.218 -2.109 1.00 0.00 N ATOM 0 H ARG A 59 -6.301 -11.820 -2.168 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.691 -14.218 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.191 -13.915 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.347 -13.737 -0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.701 -16.048 -0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.805 -16.202 -2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.010 -15.282 -0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.855 -16.718 0.195 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.057 -17.387 -2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.908 -17.519 0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.202 -17.688 0.306 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.730 -17.014 -3.083 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.541 -17.405 -1.836 1.00 0.00 H new ATOM 883 N GLU A 60 -7.700 -13.363 0.542 1.00 0.00 N ATOM 884 CA GLU A 60 -8.443 -13.607 1.811 1.00 0.00 C ATOM 885 C GLU A 60 -9.939 -13.392 1.575 1.00 0.00 C ATOM 886 O GLU A 60 -10.767 -14.145 2.050 1.00 0.00 O ATOM 887 CB GLU A 60 -7.953 -12.631 2.884 1.00 0.00 C ATOM 888 CG GLU A 60 -6.426 -12.545 2.839 1.00 0.00 C ATOM 889 CD GLU A 60 -5.855 -12.877 4.218 1.00 0.00 C ATOM 890 OE1 GLU A 60 -6.297 -12.273 5.182 1.00 0.00 O ATOM 891 OE2 GLU A 60 -4.987 -13.731 4.287 1.00 0.00 O ATOM 0 H GLU A 60 -6.942 -12.683 0.606 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.270 -14.631 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.388 -11.645 2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.280 -12.963 3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.034 -13.238 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.116 -11.545 2.537 1.00 0.00 H new ATOM 898 N GLY A 61 -10.293 -12.369 0.847 1.00 0.00 N ATOM 899 CA GLY A 61 -11.735 -12.105 0.582 1.00 0.00 C ATOM 900 C GLY A 61 -12.338 -11.342 1.764 1.00 0.00 C ATOM 901 O GLY A 61 -13.286 -11.786 2.382 1.00 0.00 O ATOM 0 H GLY A 61 -9.645 -11.704 0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.848 -11.526 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.267 -13.045 0.432 1.00 0.00 H new ATOM 905 N LYS A 62 -11.797 -10.198 2.081 1.00 0.00 N ATOM 906 CA LYS A 62 -12.342 -9.409 3.222 1.00 0.00 C ATOM 907 C LYS A 62 -12.785 -8.032 2.727 1.00 0.00 C ATOM 908 O LYS A 62 -13.396 -7.268 3.447 1.00 0.00 O ATOM 909 CB LYS A 62 -11.260 -9.243 4.291 1.00 0.00 C ATOM 910 CG LYS A 62 -11.514 -10.230 5.431 1.00 0.00 C ATOM 911 CD LYS A 62 -11.088 -11.633 4.994 1.00 0.00 C ATOM 912 CE LYS A 62 -11.095 -12.567 6.206 1.00 0.00 C ATOM 913 NZ LYS A 62 -10.012 -12.166 7.147 1.00 0.00 N ATOM 0 H LYS A 62 -11.003 -9.776 1.600 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.197 -9.933 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.275 -9.418 3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.264 -8.222 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.957 -9.929 6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.570 -10.226 5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.766 -12.009 4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.093 -11.601 4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.062 -12.523 6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.949 -13.598 5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.717 -12.990 7.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.199 -11.806 6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.363 -11.422 7.783 1.00 0.00 H new ATOM 927 N LEU A 63 -12.485 -7.713 1.500 1.00 0.00 N ATOM 928 CA LEU A 63 -12.890 -6.388 0.952 1.00 0.00 C ATOM 929 C LEU A 63 -14.166 -6.555 0.120 1.00 0.00 C ATOM 930 O LEU A 63 -14.358 -7.572 -0.516 1.00 0.00 O ATOM 931 CB LEU A 63 -11.773 -5.840 0.061 1.00 0.00 C ATOM 932 CG LEU A 63 -10.605 -5.363 0.926 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.302 -5.510 0.141 1.00 0.00 C ATOM 934 CD2 LEU A 63 -10.807 -3.893 1.294 1.00 0.00 C ATOM 0 H LEU A 63 -11.976 -8.313 0.851 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.073 -5.694 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.434 -6.613 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.150 -5.015 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.558 -5.963 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.467 -5.171 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.154 -6.556 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.354 -4.908 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.974 -3.554 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.853 -3.293 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.738 -3.782 1.850 1.00 0.00 H new ATOM 946 N PRO A 64 -15.001 -5.547 0.149 1.00 0.00 N ATOM 947 CA PRO A 64 -16.269 -5.557 -0.602 1.00 0.00 C ATOM 948 C PRO A 64 -15.997 -5.688 -2.103 1.00 0.00 C ATOM 949 O PRO A 64 -15.597 -4.744 -2.756 1.00 0.00 O ATOM 950 CB PRO A 64 -16.922 -4.204 -0.288 1.00 0.00 C ATOM 951 CG PRO A 64 -15.986 -3.442 0.684 1.00 0.00 C ATOM 952 CD PRO A 64 -14.750 -4.321 0.928 1.00 0.00 C ATOM 0 HA PRO A 64 -16.908 -6.395 -0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.072 -3.630 -1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.904 -4.349 0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.694 -2.481 0.260 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.498 -3.233 1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.839 -3.822 0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.626 -4.544 1.988 1.00 0.00 H new ATOM 960 N GLY A 65 -16.213 -6.850 -2.656 1.00 0.00 N ATOM 961 CA GLY A 65 -15.968 -7.037 -4.114 1.00 0.00 C ATOM 962 C GLY A 65 -16.923 -8.097 -4.664 1.00 0.00 C ATOM 963 O GLY A 65 -17.007 -9.197 -4.151 1.00 0.00 O ATOM 0 H GLY A 65 -16.548 -7.677 -2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.113 -6.094 -4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.935 -7.341 -4.283 1.00 0.00 H new ATOM 967 N LYS A 66 -17.647 -7.778 -5.702 1.00 0.00 N ATOM 968 CA LYS A 66 -18.597 -8.768 -6.281 1.00 0.00 C ATOM 969 C LYS A 66 -17.887 -9.587 -7.362 1.00 0.00 C ATOM 970 O LYS A 66 -16.780 -9.280 -7.760 1.00 0.00 O ATOM 971 CB LYS A 66 -19.789 -8.032 -6.898 1.00 0.00 C ATOM 972 CG LYS A 66 -20.439 -7.139 -5.839 1.00 0.00 C ATOM 973 CD LYS A 66 -21.863 -6.787 -6.273 1.00 0.00 C ATOM 974 CE LYS A 66 -22.097 -5.286 -6.082 1.00 0.00 C ATOM 975 NZ LYS A 66 -22.485 -4.675 -7.385 1.00 0.00 N ATOM 0 H LYS A 66 -17.621 -6.874 -6.174 1.00 0.00 H new ATOM 0 HA LYS A 66 -18.950 -9.435 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -19.460 -7.430 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -20.515 -8.749 -7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -20.457 -7.651 -4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.853 -6.230 -5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.014 -7.060 -7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -22.585 -7.356 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -22.880 -5.120 -5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.193 -4.812 -5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.644 -3.655 -7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -21.723 -4.822 -8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -23.359 -5.121 -7.731 1.00 0.00 H new ATOM 989 N SER A 67 -18.514 -10.627 -7.838 1.00 0.00 N ATOM 990 CA SER A 67 -17.876 -11.467 -8.890 1.00 0.00 C ATOM 991 C SER A 67 -17.379 -10.576 -10.030 1.00 0.00 C ATOM 992 O SER A 67 -18.127 -10.209 -10.914 1.00 0.00 O ATOM 993 CB SER A 67 -18.900 -12.465 -9.435 1.00 0.00 C ATOM 994 OG SER A 67 -20.172 -11.835 -9.517 1.00 0.00 O ATOM 0 H SER A 67 -19.442 -10.932 -7.543 1.00 0.00 H new ATOM 0 HA SER A 67 -17.033 -12.006 -8.459 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.592 -12.819 -10.419 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.955 -13.339 -8.785 1.00 0.00 H new ATOM 0 HG SER A 67 -20.090 -10.997 -10.019 1.00 0.00 H new ATOM 1000 N GLY A 68 -16.120 -10.231 -10.021 1.00 0.00 N ATOM 1001 CA GLY A 68 -15.577 -9.368 -11.108 1.00 0.00 C ATOM 1002 C GLY A 68 -15.105 -8.035 -10.523 1.00 0.00 C ATOM 1003 O GLY A 68 -15.012 -7.042 -11.217 1.00 0.00 O ATOM 0 H GLY A 68 -15.445 -10.509 -9.309 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.748 -9.872 -11.605 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.343 -9.193 -11.864 1.00 0.00 H new ATOM 1007 N ARG A 69 -14.807 -8.005 -9.254 1.00 0.00 N ATOM 1008 CA ARG A 69 -14.341 -6.735 -8.629 1.00 0.00 C ATOM 1009 C ARG A 69 -12.877 -6.882 -8.210 1.00 0.00 C ATOM 1010 O ARG A 69 -12.528 -7.748 -7.433 1.00 0.00 O ATOM 1011 CB ARG A 69 -15.197 -6.426 -7.399 1.00 0.00 C ATOM 1012 CG ARG A 69 -15.019 -4.958 -7.008 1.00 0.00 C ATOM 1013 CD ARG A 69 -16.340 -4.412 -6.460 1.00 0.00 C ATOM 1014 NE ARG A 69 -16.592 -3.052 -7.017 1.00 0.00 N ATOM 1015 CZ ARG A 69 -15.599 -2.227 -7.212 1.00 0.00 C ATOM 1016 NH1 ARG A 69 -14.941 -1.744 -6.193 1.00 0.00 N ATOM 1017 NH2 ARG A 69 -15.263 -1.884 -8.425 1.00 0.00 N ATOM 0 H ARG A 69 -14.866 -8.804 -8.623 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.434 -5.921 -9.347 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -16.246 -6.632 -7.612 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.907 -7.072 -6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.235 -4.863 -6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -14.704 -4.376 -7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -17.159 -5.081 -6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -16.303 -4.368 -5.372 1.00 0.00 H new ATOM 0 HE ARG A 69 -17.544 -2.765 -7.247 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.203 -2.011 -5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -14.165 -1.100 -6.346 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.776 -2.260 -9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.487 -1.239 -8.576 1.00 0.00 H new ATOM 1031 N THR A 70 -12.018 -6.043 -8.720 1.00 0.00 N ATOM 1032 CA THR A 70 -10.577 -6.135 -8.352 1.00 0.00 C ATOM 1033 C THR A 70 -10.270 -5.140 -7.232 1.00 0.00 C ATOM 1034 O THR A 70 -11.140 -4.440 -6.754 1.00 0.00 O ATOM 1035 CB THR A 70 -9.717 -5.808 -9.574 1.00 0.00 C ATOM 1036 OG1 THR A 70 -10.553 -5.666 -10.715 1.00 0.00 O ATOM 1037 CG2 THR A 70 -8.715 -6.940 -9.812 1.00 0.00 C ATOM 0 H THR A 70 -12.252 -5.298 -9.376 1.00 0.00 H new ATOM 0 HA THR A 70 -10.354 -7.146 -8.010 1.00 0.00 H new ATOM 0 HB THR A 70 -9.177 -4.877 -9.400 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.914 -4.755 -10.745 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.102 -6.707 -10.683 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.075 -7.049 -8.937 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.253 -7.872 -9.986 1.00 0.00 H new ATOM 1045 N TRP A 71 -9.038 -5.072 -6.807 1.00 0.00 N ATOM 1046 CA TRP A 71 -8.678 -4.123 -5.717 1.00 0.00 C ATOM 1047 C TRP A 71 -7.232 -3.655 -5.900 1.00 0.00 C ATOM 1048 O TRP A 71 -6.498 -4.172 -6.718 1.00 0.00 O ATOM 1049 CB TRP A 71 -8.807 -4.826 -4.364 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.207 -4.698 -3.859 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.242 -5.480 -4.235 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -10.740 -3.749 -2.891 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.378 -5.074 -3.558 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.119 -4.010 -2.719 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.167 -2.699 -2.153 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -12.902 -3.255 -1.845 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -10.952 -1.937 -1.271 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.317 -2.216 -1.118 1.00 0.00 C ATOM 0 H TRP A 71 -8.266 -5.633 -7.168 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.349 -3.265 -5.753 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.541 -5.878 -4.464 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.111 -4.388 -3.648 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.191 -6.290 -4.948 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.295 -5.508 -3.666 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.116 -2.476 -2.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -13.954 -3.473 -1.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.501 -1.133 -0.708 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.916 -1.628 -0.438 1.00 0.00 H new ATOM 1069 N ARG A 72 -6.821 -2.685 -5.133 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.424 -2.182 -5.242 1.00 0.00 C ATOM 1071 C ARG A 72 -4.829 -2.091 -3.836 1.00 0.00 C ATOM 1072 O ARG A 72 -5.540 -1.914 -2.868 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.428 -0.798 -5.888 1.00 0.00 C ATOM 1074 CG ARG A 72 -6.099 -0.876 -7.261 1.00 0.00 C ATOM 1075 CD ARG A 72 -6.051 0.497 -7.933 1.00 0.00 C ATOM 1076 NE ARG A 72 -6.935 0.494 -9.134 1.00 0.00 N ATOM 1077 CZ ARG A 72 -7.285 1.621 -9.691 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -6.549 2.687 -9.529 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -8.372 1.684 -10.411 1.00 0.00 N ATOM 0 H ARG A 72 -7.395 -2.217 -4.432 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.829 -2.859 -5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.959 -0.090 -5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.407 -0.430 -5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.593 -1.615 -7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.133 -1.204 -7.154 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.373 1.268 -7.233 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.028 0.737 -8.222 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.266 -0.390 -9.520 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.699 2.639 -8.967 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.824 3.567 -9.965 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.948 0.852 -10.538 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.645 2.565 -10.846 1.00 0.00 H new ATOM 1093 N GLU A 73 -3.538 -2.222 -3.706 1.00 0.00 N ATOM 1094 CA GLU A 73 -2.931 -2.152 -2.347 1.00 0.00 C ATOM 1095 C GLU A 73 -1.809 -1.112 -2.315 1.00 0.00 C ATOM 1096 O GLU A 73 -1.166 -0.837 -3.310 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.363 -3.523 -1.974 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.188 -3.856 -2.895 1.00 0.00 C ATOM 1099 CD GLU A 73 0.057 -4.141 -2.053 1.00 0.00 C ATOM 1100 OE1 GLU A 73 0.029 -5.092 -1.292 1.00 0.00 O ATOM 1101 OE2 GLU A 73 1.019 -3.402 -2.187 1.00 0.00 O ATOM 0 H GLU A 73 -2.883 -2.373 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.701 -1.861 -1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.035 -3.522 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.137 -4.286 -2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.429 -4.722 -3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.998 -3.025 -3.574 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.565 -0.541 -1.165 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.482 0.475 -1.040 1.00 0.00 C ATOM 1110 C ALA A 74 0.121 0.390 0.364 1.00 0.00 C ATOM 1111 O ALA A 74 -0.541 0.007 1.309 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.063 1.874 -1.262 1.00 0.00 C ATOM 0 H ALA A 74 -2.073 -0.737 -0.303 1.00 0.00 H new ATOM 0 HA ALA A 74 0.290 0.284 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.270 2.616 -1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.501 1.932 -2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.832 2.071 -0.515 1.00 0.00 H new ATOM 1118 N ASP A 75 1.369 0.737 0.515 1.00 0.00 N ATOM 1119 CA ASP A 75 1.999 0.665 1.865 1.00 0.00 C ATOM 1120 C ASP A 75 1.473 1.801 2.743 1.00 0.00 C ATOM 1121 O ASP A 75 1.341 2.927 2.306 1.00 0.00 O ATOM 1122 CB ASP A 75 3.518 0.792 1.736 1.00 0.00 C ATOM 1123 CG ASP A 75 4.141 -0.603 1.669 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.597 -1.440 0.968 1.00 0.00 O ATOM 1125 OD2 ASP A 75 5.150 -0.811 2.319 1.00 0.00 O ATOM 0 H ASP A 75 1.978 1.066 -0.234 1.00 0.00 H new ATOM 0 HA ASP A 75 1.751 -0.294 2.320 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.772 1.359 0.840 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.921 1.342 2.586 1.00 0.00 H new ATOM 1130 N ILE A 76 1.182 1.515 3.981 1.00 0.00 N ATOM 1131 CA ILE A 76 0.675 2.576 4.895 1.00 0.00 C ATOM 1132 C ILE A 76 1.677 2.768 6.035 1.00 0.00 C ATOM 1133 O ILE A 76 1.864 1.898 6.861 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.682 2.158 5.463 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.742 2.247 4.362 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -1.068 3.090 6.612 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.892 3.703 3.916 1.00 0.00 C ATOM 0 H ILE A 76 1.274 0.590 4.400 1.00 0.00 H new ATOM 0 HA ILE A 76 0.557 3.512 4.348 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.619 1.134 5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.455 1.624 3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.696 1.868 4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.035 2.790 7.015 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.314 3.031 7.397 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.130 4.114 6.244 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.647 3.767 3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.198 4.314 4.765 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.938 4.066 3.533 1.00 0.00 H new ATOM 1149 N ASN A 77 2.331 3.896 6.079 1.00 0.00 N ATOM 1150 CA ASN A 77 3.329 4.135 7.158 1.00 0.00 C ATOM 1151 C ASN A 77 4.585 3.309 6.872 1.00 0.00 C ATOM 1152 O ASN A 77 4.528 2.103 6.737 1.00 0.00 O ATOM 1153 CB ASN A 77 2.738 3.720 8.507 1.00 0.00 C ATOM 1154 CG ASN A 77 2.714 4.927 9.447 1.00 0.00 C ATOM 1155 OD1 ASN A 77 3.315 5.944 9.165 1.00 0.00 O ATOM 1156 ND2 ASN A 77 2.039 4.856 10.562 1.00 0.00 N ATOM 0 H ASN A 77 2.217 4.662 5.415 1.00 0.00 H new ATOM 0 HA ASN A 77 3.586 5.194 7.191 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.729 3.332 8.370 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.331 2.917 8.944 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.016 5.655 11.196 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.534 4.002 10.799 1.00 0.00 H new ATOM 1163 N TYR A 78 5.719 3.948 6.779 1.00 0.00 N ATOM 1164 CA TYR A 78 6.973 3.205 6.502 1.00 0.00 C ATOM 1165 C TYR A 78 8.169 4.141 6.680 1.00 0.00 C ATOM 1166 O TYR A 78 8.293 5.141 6.000 1.00 0.00 O ATOM 1167 CB TYR A 78 6.943 2.672 5.067 1.00 0.00 C ATOM 1168 CG TYR A 78 8.224 1.928 4.769 1.00 0.00 C ATOM 1169 CD1 TYR A 78 9.431 2.629 4.652 1.00 0.00 C ATOM 1170 CD2 TYR A 78 8.204 0.538 4.605 1.00 0.00 C ATOM 1171 CE1 TYR A 78 10.616 1.939 4.373 1.00 0.00 C ATOM 1172 CE2 TYR A 78 9.390 -0.152 4.325 1.00 0.00 C ATOM 1173 CZ TYR A 78 10.596 0.549 4.209 1.00 0.00 C ATOM 1174 OH TYR A 78 11.765 -0.131 3.933 1.00 0.00 O ATOM 0 H TYR A 78 5.828 4.957 6.884 1.00 0.00 H new ATOM 0 HA TYR A 78 7.063 2.369 7.195 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.088 2.010 4.933 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.820 3.497 4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.447 3.702 4.777 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.273 -0.003 4.694 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.547 2.479 4.284 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.374 -1.224 4.199 1.00 0.00 H new ATOM 0 HH TYR A 78 11.857 -0.887 4.550 1.00 0.00 H new ATOM 1184 N THR A 79 9.053 3.829 7.589 1.00 0.00 N ATOM 1185 CA THR A 79 10.238 4.708 7.805 1.00 0.00 C ATOM 1186 C THR A 79 11.514 3.920 7.534 1.00 0.00 C ATOM 1187 O THR A 79 12.433 4.395 6.895 1.00 0.00 O ATOM 1188 CB THR A 79 10.244 5.214 9.250 1.00 0.00 C ATOM 1189 OG1 THR A 79 8.929 5.137 9.782 1.00 0.00 O ATOM 1190 CG2 THR A 79 10.725 6.665 9.282 1.00 0.00 C ATOM 0 H THR A 79 9.006 3.006 8.190 1.00 0.00 H new ATOM 0 HA THR A 79 10.187 5.558 7.125 1.00 0.00 H new ATOM 0 HB THR A 79 10.915 4.598 9.849 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.931 5.459 10.708 1.00 0.00 H new ATOM 0 HG21 THR A 79 10.729 7.024 10.311 1.00 0.00 H new ATOM 0 HG22 THR A 79 11.734 6.723 8.874 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.056 7.284 8.684 1.00 0.00 H new ATOM 1198 N SER A 80 11.573 2.721 8.019 1.00 0.00 N ATOM 1199 CA SER A 80 12.784 1.880 7.805 1.00 0.00 C ATOM 1200 C SER A 80 12.654 0.586 8.610 1.00 0.00 C ATOM 1201 O SER A 80 11.780 0.447 9.444 1.00 0.00 O ATOM 1202 CB SER A 80 14.017 2.648 8.272 1.00 0.00 C ATOM 1203 OG SER A 80 14.792 3.027 7.143 1.00 0.00 O ATOM 0 H SER A 80 10.831 2.278 8.560 1.00 0.00 H new ATOM 0 HA SER A 80 12.881 1.639 6.746 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.717 3.532 8.834 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.612 2.029 8.944 1.00 0.00 H new ATOM 0 HG SER A 80 14.289 3.671 6.602 1.00 0.00 H new ATOM 1209 N GLY A 81 13.519 -0.362 8.373 1.00 0.00 N ATOM 1210 CA GLY A 81 13.445 -1.645 9.128 1.00 0.00 C ATOM 1211 C GLY A 81 12.693 -2.690 8.303 1.00 0.00 C ATOM 1212 O GLY A 81 12.543 -2.557 7.104 1.00 0.00 O ATOM 0 H GLY A 81 14.274 -0.304 7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.449 -2.002 9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.939 -1.488 10.081 1.00 0.00 H new ATOM 1216 N PHE A 82 12.221 -3.729 8.934 1.00 0.00 N ATOM 1217 CA PHE A 82 11.480 -4.785 8.187 1.00 0.00 C ATOM 1218 C PHE A 82 10.120 -4.241 7.737 1.00 0.00 C ATOM 1219 O PHE A 82 9.489 -3.479 8.442 1.00 0.00 O ATOM 1220 CB PHE A 82 11.266 -5.999 9.100 1.00 0.00 C ATOM 1221 CG PHE A 82 12.130 -7.147 8.634 1.00 0.00 C ATOM 1222 CD1 PHE A 82 13.522 -7.068 8.752 1.00 0.00 C ATOM 1223 CD2 PHE A 82 11.538 -8.289 8.078 1.00 0.00 C ATOM 1224 CE1 PHE A 82 14.323 -8.130 8.314 1.00 0.00 C ATOM 1225 CE2 PHE A 82 12.339 -9.351 7.641 1.00 0.00 C ATOM 1226 CZ PHE A 82 13.732 -9.271 7.758 1.00 0.00 C ATOM 0 H PHE A 82 12.316 -3.893 9.936 1.00 0.00 H new ATOM 0 HA PHE A 82 12.058 -5.082 7.312 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.514 -5.740 10.129 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.217 -6.294 9.089 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.979 -6.188 9.181 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.464 -8.350 7.987 1.00 0.00 H new ATOM 0 HE1 PHE A 82 15.397 -8.069 8.405 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.883 -10.232 7.214 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.350 -10.089 7.419 1.00 0.00 H new ATOM 1236 N ARG A 83 9.663 -4.630 6.571 1.00 0.00 N ATOM 1237 CA ARG A 83 8.341 -4.140 6.078 1.00 0.00 C ATOM 1238 C ARG A 83 7.340 -4.120 7.236 1.00 0.00 C ATOM 1239 O ARG A 83 7.339 -4.991 8.083 1.00 0.00 O ATOM 1240 CB ARG A 83 7.827 -5.079 4.984 1.00 0.00 C ATOM 1241 CG ARG A 83 7.634 -4.300 3.683 1.00 0.00 C ATOM 1242 CD ARG A 83 8.633 -4.791 2.631 1.00 0.00 C ATOM 1243 NE ARG A 83 8.338 -4.135 1.329 1.00 0.00 N ATOM 1244 CZ ARG A 83 7.102 -3.941 0.957 1.00 0.00 C ATOM 1245 NH1 ARG A 83 6.410 -2.964 1.475 1.00 0.00 N ATOM 1246 NH2 ARG A 83 6.557 -4.727 0.069 1.00 0.00 N ATOM 0 H ARG A 83 10.150 -5.266 5.940 1.00 0.00 H new ATOM 0 HA ARG A 83 8.454 -3.134 5.675 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.534 -5.894 4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.884 -5.530 5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.615 -4.430 3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.775 -3.234 3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.651 -4.561 2.945 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.568 -5.874 2.529 1.00 0.00 H new ATOM 0 HE ARG A 83 9.104 -3.836 0.725 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.835 -2.351 2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.444 -2.813 1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.097 -5.493 -0.334 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.591 -4.576 -0.222 1.00 0.00 H new ATOM 1260 N ASN A 84 6.489 -3.132 7.282 1.00 0.00 N ATOM 1261 CA ASN A 84 5.493 -3.063 8.391 1.00 0.00 C ATOM 1262 C ASN A 84 4.239 -3.850 8.009 1.00 0.00 C ATOM 1263 O ASN A 84 4.174 -4.472 6.967 1.00 0.00 O ATOM 1264 CB ASN A 84 5.110 -1.605 8.669 1.00 0.00 C ATOM 1265 CG ASN A 84 5.086 -0.811 7.361 1.00 0.00 C ATOM 1266 OD1 ASN A 84 5.767 0.186 7.232 1.00 0.00 O ATOM 1267 ND2 ASN A 84 4.327 -1.214 6.380 1.00 0.00 N ATOM 0 H ASN A 84 6.439 -2.372 6.603 1.00 0.00 H new ATOM 0 HA ASN A 84 5.938 -3.494 9.288 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.132 -1.562 9.148 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.824 -1.159 9.362 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.305 -0.692 5.504 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.755 -2.052 6.489 1.00 0.00 H new ATOM 1274 N SER A 85 3.242 -3.826 8.850 1.00 0.00 N ATOM 1275 CA SER A 85 1.989 -4.570 8.543 1.00 0.00 C ATOM 1276 C SER A 85 0.859 -3.577 8.264 1.00 0.00 C ATOM 1277 O SER A 85 -0.276 -3.956 8.057 1.00 0.00 O ATOM 1278 CB SER A 85 1.612 -5.447 9.737 1.00 0.00 C ATOM 1279 OG SER A 85 2.251 -4.947 10.906 1.00 0.00 O ATOM 0 H SER A 85 3.241 -3.323 9.737 1.00 0.00 H new ATOM 0 HA SER A 85 2.146 -5.197 7.665 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.531 -5.451 9.873 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.915 -6.478 9.556 1.00 0.00 H new ATOM 0 HG SER A 85 2.011 -5.506 11.675 1.00 0.00 H new ATOM 1285 N ASP A 86 1.158 -2.306 8.255 1.00 0.00 N ATOM 1286 CA ASP A 86 0.096 -1.298 7.987 1.00 0.00 C ATOM 1287 C ASP A 86 0.014 -1.039 6.484 1.00 0.00 C ATOM 1288 O ASP A 86 1.005 -0.768 5.833 1.00 0.00 O ATOM 1289 CB ASP A 86 0.431 0.007 8.710 1.00 0.00 C ATOM 1290 CG ASP A 86 0.498 -0.247 10.217 1.00 0.00 C ATOM 1291 OD1 ASP A 86 0.528 -1.404 10.603 1.00 0.00 O ATOM 1292 OD2 ASP A 86 0.520 0.721 10.961 1.00 0.00 O ATOM 0 H ASP A 86 2.089 -1.924 8.421 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.861 -1.675 8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.384 0.398 8.354 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.325 0.761 8.491 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.160 -1.119 5.925 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.304 -0.879 4.462 1.00 0.00 C ATOM 1299 C ARG A 87 -2.755 -0.516 4.149 1.00 0.00 C ATOM 1300 O ARG A 87 -3.648 -0.766 4.931 1.00 0.00 O ATOM 1301 CB ARG A 87 -0.919 -2.148 3.697 1.00 0.00 C ATOM 1302 CG ARG A 87 0.573 -2.431 3.895 1.00 0.00 C ATOM 1303 CD ARG A 87 1.056 -3.397 2.812 1.00 0.00 C ATOM 1304 NE ARG A 87 2.481 -3.753 3.063 1.00 0.00 N ATOM 1305 CZ ARG A 87 3.017 -4.774 2.452 1.00 0.00 C ATOM 1306 NH1 ARG A 87 3.246 -4.720 1.168 1.00 0.00 N ATOM 1307 NH2 ARG A 87 3.322 -5.850 3.123 1.00 0.00 N ATOM 0 H ARG A 87 -2.026 -1.340 6.417 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.650 -0.061 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.510 -2.992 4.051 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.139 -2.027 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.140 -1.501 3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.745 -2.859 4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.440 -4.296 2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.952 -2.939 1.828 1.00 0.00 H new ATOM 0 HE ARG A 87 3.038 -3.198 3.713 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.006 -3.880 0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.665 -5.518 0.691 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.142 -5.894 4.126 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.741 -6.648 2.645 1.00 0.00 H new ATOM 1321 N ILE A 88 -3.000 0.073 3.012 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.397 0.448 2.662 1.00 0.00 C ATOM 1323 C ILE A 88 -4.789 -0.206 1.334 1.00 0.00 C ATOM 1324 O ILE A 88 -3.954 -0.492 0.497 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.503 1.968 2.539 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.971 2.365 2.363 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.701 2.441 1.328 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -6.312 3.494 3.338 1.00 0.00 C ATOM 0 H ILE A 88 -2.296 0.310 2.313 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.071 0.101 3.445 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.105 2.432 3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.152 2.688 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.616 1.505 2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.778 3.525 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.655 2.160 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.097 1.976 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.357 3.778 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.147 3.154 4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.675 4.355 3.135 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.057 -0.445 1.143 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.525 -1.083 -0.120 1.00 0.00 C ATOM 1342 C LEU A 89 -7.478 -0.128 -0.844 1.00 0.00 C ATOM 1343 O LEU A 89 -8.507 0.242 -0.320 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.284 -2.375 0.209 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.301 -3.483 0.600 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.269 -3.665 -0.509 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.591 -3.107 1.902 1.00 0.00 C ATOM 0 H LEU A 89 -6.794 -0.224 1.812 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.665 -1.307 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.984 -2.196 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.873 -2.689 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.848 -4.415 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.570 -4.453 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.774 -3.939 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.724 -2.732 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.893 -3.897 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.046 -2.173 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.328 -2.982 2.695 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.164 0.260 -2.048 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.088 1.171 -2.781 1.00 0.00 C ATOM 1361 C TYR A 90 -8.666 0.429 -3.988 1.00 0.00 C ATOM 1362 O TYR A 90 -7.977 -0.303 -4.668 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.358 2.439 -3.242 1.00 0.00 C ATOM 1364 CG TYR A 90 -5.988 2.104 -3.786 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -4.957 1.725 -2.916 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -5.745 2.187 -5.162 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -3.687 1.425 -3.423 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -4.474 1.888 -5.669 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.446 1.507 -4.800 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.194 1.214 -5.299 1.00 0.00 O ATOM 0 H TYR A 90 -6.319 -0.009 -2.552 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.893 1.473 -2.111 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.945 2.943 -4.009 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.263 3.133 -2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.142 1.664 -1.854 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.538 2.482 -5.833 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.893 1.130 -2.752 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.288 1.952 -6.731 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.754 0.561 -4.715 1.00 0.00 H new ATOM 1380 N SER A 91 -9.936 0.595 -4.245 1.00 0.00 N ATOM 1381 CA SER A 91 -10.562 -0.121 -5.396 1.00 0.00 C ATOM 1382 C SER A 91 -10.865 0.861 -6.531 1.00 0.00 C ATOM 1383 O SER A 91 -10.724 2.059 -6.386 1.00 0.00 O ATOM 1384 CB SER A 91 -11.862 -0.780 -4.937 1.00 0.00 C ATOM 1385 OG SER A 91 -11.971 -2.067 -5.531 1.00 0.00 O ATOM 0 H SER A 91 -10.566 1.193 -3.710 1.00 0.00 H new ATOM 0 HA SER A 91 -9.869 -0.880 -5.759 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.876 -0.866 -3.850 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.715 -0.163 -5.219 1.00 0.00 H new ATOM 0 HG SER A 91 -11.795 -2.755 -4.856 1.00 0.00 H new ATOM 1391 N SER A 92 -11.284 0.358 -7.663 1.00 0.00 N ATOM 1392 CA SER A 92 -11.598 1.254 -8.811 1.00 0.00 C ATOM 1393 C SER A 92 -12.810 2.115 -8.463 1.00 0.00 C ATOM 1394 O SER A 92 -13.015 3.176 -9.018 1.00 0.00 O ATOM 1395 CB SER A 92 -11.902 0.414 -10.051 1.00 0.00 C ATOM 1396 OG SER A 92 -12.923 -0.526 -9.741 1.00 0.00 O ATOM 0 H SER A 92 -11.422 -0.637 -7.840 1.00 0.00 H new ATOM 0 HA SER A 92 -10.742 1.897 -9.016 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.220 1.057 -10.871 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.003 -0.104 -10.383 1.00 0.00 H new ATOM 0 HG SER A 92 -13.775 -0.218 -10.113 1.00 0.00 H new ATOM 1402 N ASP A 93 -13.606 1.667 -7.539 1.00 0.00 N ATOM 1403 CA ASP A 93 -14.796 2.449 -7.135 1.00 0.00 C ATOM 1404 C ASP A 93 -14.402 3.395 -6.000 1.00 0.00 C ATOM 1405 O ASP A 93 -15.238 3.931 -5.300 1.00 0.00 O ATOM 1406 CB ASP A 93 -15.906 1.503 -6.667 1.00 0.00 C ATOM 1407 CG ASP A 93 -15.531 0.901 -5.312 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.388 1.048 -4.916 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.395 0.302 -4.693 1.00 0.00 O ATOM 0 H ASP A 93 -13.480 0.785 -7.043 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.165 3.026 -7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -16.849 2.044 -6.587 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.055 0.710 -7.400 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.125 3.601 -5.825 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.641 4.510 -4.752 1.00 0.00 C ATOM 1416 C TRP A 94 -12.934 3.911 -3.377 1.00 0.00 C ATOM 1417 O TRP A 94 -13.124 4.620 -2.408 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.311 5.877 -4.886 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.408 6.780 -5.660 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.806 7.630 -6.635 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -10.962 6.931 -5.551 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.697 8.295 -7.128 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.537 7.898 -6.492 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -9.986 6.330 -4.733 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.193 8.254 -6.618 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.634 6.685 -4.859 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.239 7.645 -5.799 1.00 0.00 C ATOM 0 H TRP A 94 -12.390 3.172 -6.387 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.563 4.633 -4.854 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.271 5.779 -5.392 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.512 6.298 -3.901 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.823 7.767 -6.973 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.732 8.993 -7.871 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.280 5.590 -4.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.893 8.995 -7.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.894 6.215 -4.228 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.197 7.914 -5.891 1.00 0.00 H new ATOM 1438 N LEU A 95 -12.947 2.612 -3.277 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.197 1.974 -1.956 1.00 0.00 C ATOM 1440 C LEU A 95 -11.873 1.925 -1.198 1.00 0.00 C ATOM 1441 O LEU A 95 -10.924 1.304 -1.639 1.00 0.00 O ATOM 1442 CB LEU A 95 -13.723 0.551 -2.158 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.250 0.544 -2.066 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -15.757 -0.898 -2.121 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -15.686 1.185 -0.747 1.00 0.00 C ATOM 0 H LEU A 95 -12.796 1.966 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.938 2.545 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.407 0.171 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.301 -0.113 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.666 1.109 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -16.845 -0.904 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -15.448 -1.357 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.340 -1.462 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.774 1.180 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.270 0.620 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.325 2.213 -0.705 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.784 2.585 -0.074 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.500 2.577 0.681 1.00 0.00 C ATOM 1459 C ILE A 96 -10.671 1.869 2.028 1.00 0.00 C ATOM 1460 O ILE A 96 -11.298 2.376 2.940 1.00 0.00 O ATOM 1461 CB ILE A 96 -10.035 4.016 0.917 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.396 4.877 -0.296 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.520 4.028 1.114 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.754 6.259 -0.151 1.00 0.00 C ATOM 0 H ILE A 96 -12.539 3.125 0.350 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.755 2.039 0.095 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.525 4.417 1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -10.049 4.398 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.479 4.974 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.183 5.051 1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.260 3.414 1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.034 3.628 0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -10.011 6.872 -1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -10.122 6.738 0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.671 6.153 -0.091 1.00 0.00 H new ATOM 1476 N TYR A 97 -10.094 0.706 2.158 1.00 0.00 N ATOM 1477 CA TYR A 97 -10.184 -0.047 3.439 1.00 0.00 C ATOM 1478 C TYR A 97 -8.788 -0.105 4.060 1.00 0.00 C ATOM 1479 O TYR A 97 -7.858 -0.597 3.459 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.682 -1.467 3.165 1.00 0.00 C ATOM 1481 CG TYR A 97 -12.179 -1.445 2.983 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.737 -0.837 1.853 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -13.009 -2.031 3.946 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.126 -0.815 1.685 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -14.398 -2.006 3.778 1.00 0.00 C ATOM 1486 CZ TYR A 97 -14.957 -1.398 2.648 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.326 -1.372 2.484 1.00 0.00 O ATOM 0 H TYR A 97 -9.559 0.242 1.424 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.879 0.447 4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.202 -1.867 2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.415 -2.124 3.992 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.096 -0.385 1.111 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.578 -2.502 4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.557 -0.348 0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -15.039 -2.456 4.521 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.747 -1.941 3.161 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.622 0.408 5.244 1.00 0.00 N ATOM 1498 CA LYS A 98 -7.269 0.393 5.868 1.00 0.00 C ATOM 1499 C LYS A 98 -7.062 -0.900 6.659 1.00 0.00 C ATOM 1500 O LYS A 98 -7.995 -1.499 7.158 1.00 0.00 O ATOM 1501 CB LYS A 98 -7.135 1.588 6.813 1.00 0.00 C ATOM 1502 CG LYS A 98 -8.335 1.625 7.762 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.899 2.184 9.117 1.00 0.00 C ATOM 1504 CE LYS A 98 -7.808 3.708 9.034 1.00 0.00 C ATOM 1505 NZ LYS A 98 -8.455 4.311 10.232 1.00 0.00 N ATOM 0 H LYS A 98 -9.358 0.835 5.806 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.517 0.452 5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.209 1.512 7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.082 2.514 6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.127 2.244 7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.745 0.623 7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.612 1.893 9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.933 1.766 9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.765 4.018 8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.296 4.063 8.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.393 5.348 10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.454 4.025 10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.970 3.982 11.091 1.00 0.00 H new ATOM 1519 N THR A 99 -5.832 -1.324 6.781 1.00 0.00 N ATOM 1520 CA THR A 99 -5.530 -2.569 7.541 1.00 0.00 C ATOM 1521 C THR A 99 -4.307 -2.322 8.427 1.00 0.00 C ATOM 1522 O THR A 99 -3.255 -1.935 7.953 1.00 0.00 O ATOM 1523 CB THR A 99 -5.228 -3.709 6.565 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.449 -4.697 7.225 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.456 -3.164 5.363 1.00 0.00 C ATOM 0 H THR A 99 -5.018 -0.856 6.383 1.00 0.00 H new ATOM 0 HA THR A 99 -6.388 -2.842 8.156 1.00 0.00 H new ATOM 0 HB THR A 99 -6.162 -4.152 6.220 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.990 -5.502 7.363 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.242 -3.977 4.669 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.055 -2.405 4.859 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.520 -2.721 5.702 1.00 0.00 H new ATOM 1533 N THR A 100 -4.434 -2.533 9.708 1.00 0.00 N ATOM 1534 CA THR A 100 -3.276 -2.302 10.618 1.00 0.00 C ATOM 1535 C THR A 100 -2.752 -3.641 11.141 1.00 0.00 C ATOM 1536 O THR A 100 -2.214 -3.726 12.228 1.00 0.00 O ATOM 1537 CB THR A 100 -3.725 -1.437 11.800 1.00 0.00 C ATOM 1538 OG1 THR A 100 -5.061 -1.003 11.585 1.00 0.00 O ATOM 1539 CG2 THR A 100 -2.805 -0.222 11.927 1.00 0.00 C ATOM 0 H THR A 100 -5.288 -2.855 10.164 1.00 0.00 H new ATOM 0 HA THR A 100 -2.483 -1.794 10.069 1.00 0.00 H new ATOM 0 HB THR A 100 -3.675 -2.022 12.718 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.351 -0.451 12.341 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.127 0.392 12.769 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.781 -0.557 12.092 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.851 0.366 11.011 1.00 0.00 H new ATOM 1547 N ASP A 101 -2.900 -4.691 10.379 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.404 -6.019 10.843 1.00 0.00 C ATOM 1549 C ASP A 101 -1.995 -6.872 9.639 1.00 0.00 C ATOM 1550 O ASP A 101 -1.915 -8.081 9.725 1.00 0.00 O ATOM 1551 CB ASP A 101 -3.503 -6.741 11.631 1.00 0.00 C ATOM 1552 CG ASP A 101 -4.880 -6.255 11.172 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.278 -6.618 10.079 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -5.509 -5.527 11.921 1.00 0.00 O ATOM 0 H ASP A 101 -3.341 -4.687 9.459 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.539 -5.867 11.488 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.420 -7.818 11.484 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.379 -6.555 12.698 1.00 0.00 H new ATOM 1559 N HIS A 102 -1.732 -6.249 8.521 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.321 -7.019 7.309 1.00 0.00 C ATOM 1561 C HIS A 102 -2.552 -7.628 6.638 1.00 0.00 C ATOM 1562 O HIS A 102 -2.760 -8.825 6.663 1.00 0.00 O ATOM 1563 CB HIS A 102 -0.352 -8.135 7.710 1.00 0.00 C ATOM 1564 CG HIS A 102 0.430 -8.574 6.505 1.00 0.00 C ATOM 1565 ND1 HIS A 102 -0.139 -9.325 5.487 1.00 0.00 N ATOM 1566 CD2 HIS A 102 1.737 -8.376 6.139 1.00 0.00 C ATOM 1567 CE1 HIS A 102 0.817 -9.547 4.566 1.00 0.00 C ATOM 1568 NE2 HIS A 102 1.980 -8.991 4.914 1.00 0.00 N ATOM 0 H HIS A 102 -1.784 -5.238 8.394 1.00 0.00 H new ATOM 0 HA HIS A 102 -0.827 -6.345 6.609 1.00 0.00 H new ATOM 0 HB2 HIS A 102 0.325 -7.782 8.488 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -0.903 -8.978 8.126 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -1.105 -9.650 5.444 1.00 0.00 H new ATOM 0 HD2 HIS A 102 2.467 -7.826 6.714 1.00 0.00 H new ATOM 0 HE1 HIS A 102 0.662 -10.107 3.656 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.367 -6.811 6.030 1.00 0.00 N ATOM 1577 CA TYR A 103 -4.584 -7.333 5.347 1.00 0.00 C ATOM 1578 C TYR A 103 -5.354 -8.268 6.283 1.00 0.00 C ATOM 1579 O TYR A 103 -6.147 -9.079 5.845 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.171 -8.096 4.087 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.242 -7.237 3.262 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -1.860 -7.294 3.476 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -3.765 -6.385 2.284 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -1.000 -6.497 2.710 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -2.906 -5.589 1.517 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.524 -5.644 1.731 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.677 -4.858 0.975 1.00 0.00 O ATOM 0 H TYR A 103 -3.242 -5.800 5.977 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.227 -6.496 5.076 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -3.676 -9.028 4.359 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.053 -8.361 3.504 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -1.457 -7.952 4.231 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -4.832 -6.341 2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 103 0.067 -6.540 2.874 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -3.310 -4.933 0.760 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.406 -5.348 0.171 1.00 0.00 H new ATOM 1597 N GLN A 104 -5.139 -8.160 7.566 1.00 0.00 N ATOM 1598 CA GLN A 104 -5.875 -9.040 8.517 1.00 0.00 C ATOM 1599 C GLN A 104 -7.152 -8.331 8.965 1.00 0.00 C ATOM 1600 O GLN A 104 -8.050 -8.929 9.525 1.00 0.00 O ATOM 1601 CB GLN A 104 -4.994 -9.333 9.734 1.00 0.00 C ATOM 1602 CG GLN A 104 -4.173 -10.598 9.476 1.00 0.00 C ATOM 1603 CD GLN A 104 -4.156 -11.461 10.739 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -4.815 -11.148 11.711 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -3.426 -12.543 10.766 1.00 0.00 N ATOM 0 H GLN A 104 -4.488 -7.503 7.995 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.129 -9.980 8.027 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.331 -8.490 9.928 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.613 -9.463 10.622 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.601 -11.159 8.645 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.155 -10.332 9.191 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.873 -12.806 9.950 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.409 -13.126 11.603 1.00 0.00 H new ATOM 1614 N THR A 105 -7.234 -7.057 8.713 1.00 0.00 N ATOM 1615 CA THR A 105 -8.442 -6.279 9.104 1.00 0.00 C ATOM 1616 C THR A 105 -8.700 -5.218 8.034 1.00 0.00 C ATOM 1617 O THR A 105 -7.806 -4.836 7.306 1.00 0.00 O ATOM 1618 CB THR A 105 -8.199 -5.601 10.454 1.00 0.00 C ATOM 1619 OG1 THR A 105 -7.952 -6.593 11.442 1.00 0.00 O ATOM 1620 CG2 THR A 105 -9.430 -4.783 10.846 1.00 0.00 C ATOM 0 H THR A 105 -6.507 -6.514 8.247 1.00 0.00 H new ATOM 0 HA THR A 105 -9.304 -6.940 9.190 1.00 0.00 H new ATOM 0 HB THR A 105 -7.336 -4.939 10.379 1.00 0.00 H new ATOM 0 HG1 THR A 105 -7.138 -6.365 11.938 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.255 -4.301 11.808 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.618 -4.023 10.088 1.00 0.00 H new ATOM 0 HG23 THR A 105 -10.295 -5.442 10.922 1.00 0.00 H new ATOM 1628 N PHE A 106 -9.907 -4.740 7.919 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.187 -3.713 6.877 1.00 0.00 C ATOM 1630 C PHE A 106 -11.258 -2.740 7.368 1.00 0.00 C ATOM 1631 O PHE A 106 -12.364 -3.125 7.691 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.670 -4.405 5.603 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.549 -5.238 5.033 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -8.521 -4.625 4.305 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -9.534 -6.623 5.233 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -7.481 -5.398 3.778 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -8.493 -7.396 4.705 1.00 0.00 C ATOM 1638 CZ PHE A 106 -7.466 -6.783 3.978 1.00 0.00 C ATOM 0 H PHE A 106 -10.704 -5.012 8.494 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.273 -3.156 6.671 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.532 -5.035 5.822 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.995 -3.663 4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.531 -3.556 4.151 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.326 -7.096 5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.689 -4.925 3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.482 -8.465 4.859 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.662 -7.379 3.571 1.00 0.00 H new ATOM 1648 N THR A 107 -10.937 -1.476 7.416 1.00 0.00 N ATOM 1649 CA THR A 107 -11.933 -0.467 7.874 1.00 0.00 C ATOM 1650 C THR A 107 -12.266 0.469 6.710 1.00 0.00 C ATOM 1651 O THR A 107 -11.389 0.992 6.054 1.00 0.00 O ATOM 1652 CB THR A 107 -11.347 0.343 9.031 1.00 0.00 C ATOM 1653 OG1 THR A 107 -10.289 -0.389 9.632 1.00 0.00 O ATOM 1654 CG2 THR A 107 -12.437 0.615 10.070 1.00 0.00 C ATOM 0 H THR A 107 -10.026 -1.098 7.157 1.00 0.00 H new ATOM 0 HA THR A 107 -12.839 -0.971 8.212 1.00 0.00 H new ATOM 0 HB THR A 107 -10.964 1.291 8.653 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.912 0.130 10.373 1.00 0.00 H new ATOM 0 HG21 THR A 107 -12.018 1.192 10.894 1.00 0.00 H new ATOM 0 HG22 THR A 107 -13.248 1.178 9.608 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.823 -0.331 10.449 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.523 0.684 6.444 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.900 1.583 5.318 1.00 0.00 C ATOM 1664 C LYS A 108 -13.752 3.039 5.759 1.00 0.00 C ATOM 1665 O LYS A 108 -14.464 3.512 6.622 1.00 0.00 O ATOM 1666 CB LYS A 108 -15.352 1.315 4.917 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.784 2.323 3.851 1.00 0.00 C ATOM 1668 CD LYS A 108 -17.127 2.940 4.247 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.091 4.447 3.988 1.00 0.00 C ATOM 1670 NZ LYS A 108 -17.445 5.174 5.240 1.00 0.00 N ATOM 0 H LYS A 108 -14.305 0.277 6.957 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.247 1.394 4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.453 0.300 4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -16.001 1.392 5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.030 3.103 3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.870 1.830 2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.933 2.481 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.332 2.746 5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.099 4.745 3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.790 4.707 3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -17.421 6.199 5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.400 4.897 5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -16.761 4.934 5.986 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.828 3.753 5.175 1.00 0.00 N ATOM 1685 CA ILE A 109 -12.630 5.177 5.567 1.00 0.00 C ATOM 1686 C ILE A 109 -13.060 6.092 4.417 1.00 0.00 C ATOM 1687 O ILE A 109 -13.426 7.233 4.624 1.00 0.00 O ATOM 1688 CB ILE A 109 -11.154 5.417 5.884 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -10.288 4.579 4.940 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -10.869 5.010 7.330 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.812 4.889 5.192 1.00 0.00 C ATOM 0 H ILE A 109 -12.203 3.412 4.445 1.00 0.00 H new ATOM 0 HA ILE A 109 -13.233 5.397 6.448 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.922 6.474 5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.480 3.518 5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.545 4.798 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.816 5.181 7.555 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.486 5.605 8.004 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.101 3.953 7.463 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.195 4.292 4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.627 5.948 5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.561 4.648 6.225 1.00 0.00 H new ATOM 1703 N ARG A 110 -13.017 5.606 3.207 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.422 6.455 2.051 1.00 0.00 C ATOM 1705 C ARG A 110 -13.845 5.562 0.883 1.00 0.00 C ATOM 1706 O ARG A 110 -13.852 6.048 -0.236 1.00 0.00 O ATOM 1707 CB ARG A 110 -12.240 7.327 1.624 1.00 0.00 C ATOM 1708 CG ARG A 110 -11.958 8.372 2.706 1.00 0.00 C ATOM 1709 CD ARG A 110 -10.952 9.397 2.176 1.00 0.00 C ATOM 1710 NE ARG A 110 -9.873 9.610 3.183 1.00 0.00 N ATOM 1711 CZ ARG A 110 -10.155 9.605 4.457 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -11.158 10.306 4.907 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -9.431 8.898 5.283 1.00 0.00 N ATOM 1714 OXT ARG A 110 -14.156 4.408 1.126 1.00 0.00 O ATOM 0 H ARG A 110 -12.720 4.660 2.969 1.00 0.00 H new ATOM 0 HA ARG A 110 -14.259 7.090 2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.357 6.708 1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.461 7.819 0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.883 8.871 2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -11.564 7.888 3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.523 9.047 1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -11.456 10.340 1.964 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.912 9.760 2.875 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -11.723 10.859 4.263 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -11.377 10.301 5.903 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.645 8.350 4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -9.651 8.894 6.279 1.00 0.00 H new TER 1728 ARG A 110