USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 692 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 SER OG : rot 180:sc= -0.327 USER MOD Set 1.2: A 93 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 71 ASN : amide:sc= -4.26! C(o=-5.2!,f=-9.9!) USER MOD Set 2.2: A 98 GLN : amide:sc= -0.902 K(o=-5.2,f=-7.5!) USER MOD Set 3.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 38 SER OG : rot -87:sc= 1.26 USER MOD Set 4.2: A 85 GLN : amide:sc= -1.58 K(o=-0.32,f=-6!) USER MOD Set 5.1: A 21 THR OG1 : rot 160:sc= 0.565 USER MOD Set 5.2: A 95 LYS NZ :NH3+ -153:sc= 0.625 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0726 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -98:sc= 1.25 USER MOD Single : A 28 SER OG : rot -16:sc= 0.632 USER MOD Single : A 37 THR OG1 : rot 65:sc= 0.297 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 35:sc= 0.259 USER MOD Single : A 44 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1) USER MOD Single : A 45 SER OG : rot 180:sc= -0.197 USER MOD Single : A 46 THR OG1 : rot 45:sc= 0.0135 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.00037) USER MOD Single : A 62 ASN : amide:sc= -0.0369 X(o=-0.037,f=-0.085) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -130:sc= -0.0743 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -138:sc= 0.613 (180deg=0.472) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 74 N VAL A 7 -22.579 2.143 -10.519 1.00 0.00 N ATOM 75 CA VAL A 7 -21.610 2.119 -9.444 1.00 0.00 C ATOM 76 C VAL A 7 -20.458 3.015 -9.859 1.00 0.00 C ATOM 77 O VAL A 7 -19.969 2.898 -10.983 1.00 0.00 O ATOM 78 CB VAL A 7 -21.132 0.689 -9.137 1.00 0.00 C ATOM 79 CG1 VAL A 7 -20.329 0.718 -7.831 1.00 0.00 C ATOM 80 CG2 VAL A 7 -22.313 -0.288 -9.042 1.00 0.00 C ATOM 0 HA VAL A 7 -22.062 2.483 -8.522 1.00 0.00 H new ATOM 0 HB VAL A 7 -20.499 0.334 -9.950 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -19.981 -0.288 -7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -19.472 1.381 -7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -20.963 1.081 -7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -21.941 -1.289 -8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -22.985 0.030 -8.245 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -22.853 -0.300 -9.989 1.00 0.00 H new ATOM 90 N SER A 8 -20.001 3.842 -8.926 1.00 0.00 N ATOM 91 CA SER A 8 -18.769 4.587 -9.043 1.00 0.00 C ATOM 92 C SER A 8 -17.831 4.114 -7.946 1.00 0.00 C ATOM 93 O SER A 8 -18.203 4.179 -6.773 1.00 0.00 O ATOM 94 CB SER A 8 -19.059 6.075 -8.900 1.00 0.00 C ATOM 95 OG SER A 8 -18.980 6.715 -10.160 1.00 0.00 O ATOM 0 H SER A 8 -20.494 4.012 -8.049 1.00 0.00 H new ATOM 0 HA SER A 8 -18.307 4.424 -10.017 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.051 6.219 -8.473 1.00 0.00 H new ATOM 0 HB3 SER A 8 -18.346 6.527 -8.210 1.00 0.00 H new ATOM 0 HG SER A 8 -19.170 7.671 -10.054 1.00 0.00 H new ATOM 101 N TYR A 9 -16.640 3.632 -8.294 1.00 0.00 N ATOM 102 CA TYR A 9 -15.575 3.484 -7.308 1.00 0.00 C ATOM 103 C TYR A 9 -14.835 4.814 -7.205 1.00 0.00 C ATOM 104 O TYR A 9 -14.847 5.621 -8.135 1.00 0.00 O ATOM 105 CB TYR A 9 -14.641 2.312 -7.640 1.00 0.00 C ATOM 106 CG TYR A 9 -15.128 0.946 -7.167 1.00 0.00 C ATOM 107 CD1 TYR A 9 -16.428 0.502 -7.466 1.00 0.00 C ATOM 108 CD2 TYR A 9 -14.281 0.107 -6.416 1.00 0.00 C ATOM 109 CE1 TYR A 9 -16.865 -0.772 -7.061 1.00 0.00 C ATOM 110 CE2 TYR A 9 -14.690 -1.186 -6.038 1.00 0.00 C ATOM 111 CZ TYR A 9 -16.000 -1.624 -6.338 1.00 0.00 C ATOM 112 OH TYR A 9 -16.437 -2.828 -5.880 1.00 0.00 O ATOM 0 H TYR A 9 -16.391 3.341 -9.239 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.003 3.237 -6.337 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.498 2.276 -8.720 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -13.665 2.507 -7.195 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -17.099 1.147 -8.013 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -13.303 0.461 -6.126 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.865 -1.100 -7.303 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.005 -1.841 -5.520 1.00 0.00 H new ATOM 0 HH TYR A 9 -15.709 -3.281 -5.406 1.00 0.00 H new ATOM 122 N TYR A 10 -14.208 5.028 -6.056 1.00 0.00 N ATOM 123 CA TYR A 10 -13.430 6.192 -5.699 1.00 0.00 C ATOM 124 C TYR A 10 -12.163 5.642 -5.056 1.00 0.00 C ATOM 125 O TYR A 10 -12.212 5.175 -3.914 1.00 0.00 O ATOM 126 CB TYR A 10 -14.200 7.082 -4.710 1.00 0.00 C ATOM 127 CG TYR A 10 -15.426 7.786 -5.263 1.00 0.00 C ATOM 128 CD1 TYR A 10 -16.648 7.096 -5.388 1.00 0.00 C ATOM 129 CD2 TYR A 10 -15.355 9.149 -5.606 1.00 0.00 C ATOM 130 CE1 TYR A 10 -17.795 7.761 -5.857 1.00 0.00 C ATOM 131 CE2 TYR A 10 -16.499 9.825 -6.063 1.00 0.00 C ATOM 132 CZ TYR A 10 -17.725 9.136 -6.187 1.00 0.00 C ATOM 133 OH TYR A 10 -18.827 9.805 -6.630 1.00 0.00 O ATOM 0 H TYR A 10 -14.236 4.342 -5.302 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.210 6.815 -6.566 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.509 6.468 -3.864 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.516 7.837 -4.323 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.704 6.051 -5.122 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.417 9.678 -5.518 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.726 7.225 -5.965 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.440 10.872 -6.320 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.593 10.740 -6.807 1.00 0.00 H new ATOM 143 N PHE A 11 -11.050 5.653 -5.789 1.00 0.00 N ATOM 144 CA PHE A 11 -9.734 5.355 -5.253 1.00 0.00 C ATOM 145 C PHE A 11 -8.735 6.333 -5.882 1.00 0.00 C ATOM 146 O PHE A 11 -8.133 6.074 -6.927 1.00 0.00 O ATOM 147 CB PHE A 11 -9.368 3.870 -5.460 1.00 0.00 C ATOM 148 CG PHE A 11 -8.302 3.337 -4.520 1.00 0.00 C ATOM 149 CD1 PHE A 11 -8.282 3.652 -3.143 1.00 0.00 C ATOM 150 CD2 PHE A 11 -7.351 2.441 -5.030 1.00 0.00 C ATOM 151 CE1 PHE A 11 -7.312 3.083 -2.300 1.00 0.00 C ATOM 152 CE2 PHE A 11 -6.384 1.873 -4.192 1.00 0.00 C ATOM 153 CZ PHE A 11 -6.364 2.190 -2.824 1.00 0.00 C ATOM 0 H PHE A 11 -11.043 5.873 -6.785 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.713 5.496 -4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.270 3.269 -5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.027 3.735 -6.486 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.015 4.333 -2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.365 2.187 -6.080 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.296 3.333 -1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.652 1.190 -4.598 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.621 1.748 -2.177 1.00 0.00 H new ATOM 163 N SER A 12 -8.614 7.500 -5.258 1.00 0.00 N ATOM 164 CA SER A 12 -7.629 8.544 -5.535 1.00 0.00 C ATOM 165 C SER A 12 -7.243 9.132 -4.165 1.00 0.00 C ATOM 166 O SER A 12 -7.648 8.561 -3.149 1.00 0.00 O ATOM 167 CB SER A 12 -8.199 9.616 -6.479 1.00 0.00 C ATOM 168 OG SER A 12 -9.136 9.134 -7.434 1.00 0.00 O ATOM 0 H SER A 12 -9.241 7.760 -4.496 1.00 0.00 H new ATOM 0 HA SER A 12 -6.755 8.142 -6.047 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.678 10.390 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.373 10.090 -7.009 1.00 0.00 H new ATOM 0 HG SER A 12 -9.448 9.878 -7.990 1.00 0.00 H new ATOM 174 N TYR A 13 -6.502 10.250 -4.088 1.00 0.00 N ATOM 175 CA TYR A 13 -6.411 10.936 -2.800 1.00 0.00 C ATOM 176 C TYR A 13 -7.721 11.723 -2.630 1.00 0.00 C ATOM 177 O TYR A 13 -8.753 11.113 -2.362 1.00 0.00 O ATOM 178 CB TYR A 13 -5.168 11.847 -2.755 1.00 0.00 C ATOM 179 CG TYR A 13 -3.827 11.136 -2.646 1.00 0.00 C ATOM 180 CD1 TYR A 13 -3.337 10.346 -3.705 1.00 0.00 C ATOM 181 CD2 TYR A 13 -3.036 11.307 -1.493 1.00 0.00 C ATOM 182 CE1 TYR A 13 -2.103 9.687 -3.599 1.00 0.00 C ATOM 183 CE2 TYR A 13 -1.797 10.655 -1.375 1.00 0.00 C ATOM 184 CZ TYR A 13 -1.347 9.808 -2.415 1.00 0.00 C ATOM 185 OH TYR A 13 -0.167 9.144 -2.311 1.00 0.00 O ATOM 0 H TYR A 13 -5.986 10.675 -4.858 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.291 10.232 -1.976 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.159 12.462 -3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.268 12.524 -1.907 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.919 10.247 -4.610 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.385 11.944 -0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.734 9.090 -4.420 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.190 10.800 -0.493 1.00 0.00 H new ATOM 0 HH TYR A 13 0.236 9.329 -1.437 1.00 0.00 H new ATOM 195 N ALA A 14 -7.807 12.968 -3.089 1.00 0.00 N ATOM 196 CA ALA A 14 -9.054 13.729 -3.106 1.00 0.00 C ATOM 197 C ALA A 14 -9.019 14.796 -4.184 1.00 0.00 C ATOM 198 O ALA A 14 -9.827 14.790 -5.110 1.00 0.00 O ATOM 199 CB ALA A 14 -9.331 14.348 -1.726 1.00 0.00 C ATOM 0 H ALA A 14 -7.009 13.481 -3.462 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.869 13.044 -3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.264 14.910 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.412 13.556 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.514 15.017 -1.457 1.00 0.00 H new ATOM 205 N ASP A 15 -8.079 15.713 -4.036 1.00 0.00 N ATOM 206 CA ASP A 15 -7.966 16.973 -4.759 1.00 0.00 C ATOM 207 C ASP A 15 -6.579 17.114 -5.385 1.00 0.00 C ATOM 208 O ASP A 15 -6.297 18.105 -6.055 1.00 0.00 O ATOM 209 CB ASP A 15 -8.299 18.143 -3.817 1.00 0.00 C ATOM 210 CG ASP A 15 -7.512 18.165 -2.499 1.00 0.00 C ATOM 211 OD1 ASP A 15 -6.495 17.455 -2.360 1.00 0.00 O ATOM 212 OD2 ASP A 15 -7.994 18.856 -1.565 1.00 0.00 O ATOM 0 H ASP A 15 -7.322 15.591 -3.363 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.685 16.987 -5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.116 19.078 -4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.364 18.111 -3.585 1.00 0.00 H new ATOM 217 N GLY A 16 -5.739 16.088 -5.228 1.00 0.00 N ATOM 218 CA GLY A 16 -4.464 15.961 -5.912 1.00 0.00 C ATOM 219 C GLY A 16 -4.691 15.130 -7.161 1.00 0.00 C ATOM 220 O GLY A 16 -4.777 15.655 -8.275 1.00 0.00 O ATOM 0 H GLY A 16 -5.938 15.306 -4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.070 16.943 -6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.728 15.484 -5.264 1.00 0.00 H new ATOM 224 N GLY A 17 -4.893 13.829 -6.978 1.00 0.00 N ATOM 225 CA GLY A 17 -5.154 12.913 -8.068 1.00 0.00 C ATOM 226 C GLY A 17 -5.009 11.493 -7.578 1.00 0.00 C ATOM 227 O GLY A 17 -5.156 11.218 -6.390 1.00 0.00 O ATOM 0 H GLY A 17 -4.879 13.384 -6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.159 13.073 -8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.460 13.099 -8.887 1.00 0.00 H new ATOM 231 N THR A 18 -4.705 10.588 -8.493 1.00 0.00 N ATOM 232 CA THR A 18 -4.353 9.195 -8.250 1.00 0.00 C ATOM 233 C THR A 18 -2.881 9.068 -7.813 1.00 0.00 C ATOM 234 O THR A 18 -2.259 8.018 -7.971 1.00 0.00 O ATOM 235 CB THR A 18 -4.655 8.431 -9.550 1.00 0.00 C ATOM 236 OG1 THR A 18 -4.091 9.129 -10.643 1.00 0.00 O ATOM 237 CG2 THR A 18 -6.166 8.371 -9.788 1.00 0.00 C ATOM 0 H THR A 18 -4.696 10.818 -9.487 1.00 0.00 H new ATOM 0 HA THR A 18 -4.935 8.772 -7.431 1.00 0.00 H new ATOM 0 HB THR A 18 -4.241 7.426 -9.462 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.280 8.644 -11.473 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.368 7.828 -10.711 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.646 7.859 -8.954 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.562 9.383 -9.869 1.00 0.00 H new ATOM 245 N SER A 19 -2.275 10.150 -7.326 1.00 0.00 N ATOM 246 CA SER A 19 -0.841 10.264 -7.172 1.00 0.00 C ATOM 247 C SER A 19 -0.542 11.353 -6.142 1.00 0.00 C ATOM 248 O SER A 19 -1.352 12.275 -5.990 1.00 0.00 O ATOM 249 CB SER A 19 -0.313 10.657 -8.557 1.00 0.00 C ATOM 250 OG SER A 19 1.086 10.578 -8.658 1.00 0.00 O ATOM 0 H SER A 19 -2.783 10.982 -7.025 1.00 0.00 H new ATOM 0 HA SER A 19 -0.374 9.343 -6.824 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.762 10.007 -9.308 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.631 11.675 -8.785 1.00 0.00 H new ATOM 0 HG SER A 19 1.364 10.838 -9.561 1.00 0.00 H new ATOM 256 N HIS A 20 0.635 11.302 -5.513 1.00 0.00 N ATOM 257 CA HIS A 20 1.263 12.457 -4.891 1.00 0.00 C ATOM 258 C HIS A 20 2.755 12.424 -5.219 1.00 0.00 C ATOM 259 O HIS A 20 3.322 11.361 -5.509 1.00 0.00 O ATOM 260 CB HIS A 20 1.025 12.469 -3.369 1.00 0.00 C ATOM 261 CG HIS A 20 0.423 13.759 -2.876 1.00 0.00 C ATOM 262 ND1 HIS A 20 -0.922 14.033 -2.748 1.00 0.00 N ATOM 263 CD2 HIS A 20 1.115 14.862 -2.455 1.00 0.00 C ATOM 264 CE1 HIS A 20 -1.039 15.286 -2.272 1.00 0.00 C ATOM 265 NE2 HIS A 20 0.176 15.833 -2.085 1.00 0.00 N ATOM 0 H HIS A 20 1.180 10.445 -5.424 1.00 0.00 H new ATOM 0 HA HIS A 20 0.821 13.373 -5.283 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.366 11.642 -3.104 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.972 12.298 -2.858 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.189 14.965 -2.415 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.976 15.783 -2.069 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.375 16.772 -1.741 1.00 0.00 H new ATOM 273 N THR A 21 3.393 13.587 -5.149 1.00 0.00 N ATOM 274 CA THR A 21 4.827 13.718 -4.978 1.00 0.00 C ATOM 275 C THR A 21 5.036 14.732 -3.849 1.00 0.00 C ATOM 276 O THR A 21 4.207 15.624 -3.676 1.00 0.00 O ATOM 277 CB THR A 21 5.490 14.145 -6.301 1.00 0.00 C ATOM 278 OG1 THR A 21 5.193 13.213 -7.334 1.00 0.00 O ATOM 279 CG2 THR A 21 7.015 14.225 -6.179 1.00 0.00 C ATOM 0 H THR A 21 2.911 14.484 -5.212 1.00 0.00 H new ATOM 0 HA THR A 21 5.297 12.772 -4.711 1.00 0.00 H new ATOM 0 HB THR A 21 5.091 15.131 -6.539 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.333 13.636 -8.207 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.441 14.530 -7.135 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.281 14.955 -5.414 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.410 13.248 -5.901 1.00 0.00 H new ATOM 287 N GLU A 22 6.144 14.637 -3.121 1.00 0.00 N ATOM 288 CA GLU A 22 6.576 15.645 -2.168 1.00 0.00 C ATOM 289 C GLU A 22 8.068 15.883 -2.412 1.00 0.00 C ATOM 290 O GLU A 22 8.790 14.969 -2.839 1.00 0.00 O ATOM 291 CB GLU A 22 6.288 15.146 -0.746 1.00 0.00 C ATOM 292 CG GLU A 22 6.347 16.256 0.319 1.00 0.00 C ATOM 293 CD GLU A 22 6.482 15.719 1.749 1.00 0.00 C ATOM 294 OE1 GLU A 22 6.213 14.521 1.982 1.00 0.00 O ATOM 295 OE2 GLU A 22 6.912 16.513 2.621 1.00 0.00 O ATOM 0 H GLU A 22 6.777 13.840 -3.181 1.00 0.00 H new ATOM 0 HA GLU A 22 6.042 16.587 -2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.300 14.685 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.008 14.369 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.191 16.912 0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.445 16.864 0.250 1.00 0.00 H new ATOM 302 N TYR A 23 8.514 17.102 -2.121 1.00 0.00 N ATOM 303 CA TYR A 23 9.900 17.537 -2.153 1.00 0.00 C ATOM 304 C TYR A 23 10.209 18.190 -0.796 1.00 0.00 C ATOM 305 O TYR A 23 10.283 19.424 -0.706 1.00 0.00 O ATOM 306 CB TYR A 23 10.142 18.480 -3.347 1.00 0.00 C ATOM 307 CG TYR A 23 9.880 17.865 -4.711 1.00 0.00 C ATOM 308 CD1 TYR A 23 8.579 17.870 -5.249 1.00 0.00 C ATOM 309 CD2 TYR A 23 10.932 17.280 -5.437 1.00 0.00 C ATOM 310 CE1 TYR A 23 8.320 17.300 -6.506 1.00 0.00 C ATOM 311 CE2 TYR A 23 10.682 16.687 -6.688 1.00 0.00 C ATOM 312 CZ TYR A 23 9.377 16.707 -7.227 1.00 0.00 C ATOM 313 OH TYR A 23 9.127 16.142 -8.436 1.00 0.00 O ATOM 0 H TYR A 23 7.880 17.851 -1.842 1.00 0.00 H new ATOM 0 HA TYR A 23 10.579 16.697 -2.301 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.506 19.358 -3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.175 18.827 -3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.771 18.317 -4.689 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.934 17.286 -5.034 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.321 17.316 -6.917 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.486 16.218 -7.235 1.00 0.00 H new ATOM 0 HH TYR A 23 9.959 15.778 -8.805 1.00 0.00 H new ATOM 323 N PRO A 24 10.366 17.398 0.280 1.00 0.00 N ATOM 324 CA PRO A 24 10.922 17.889 1.536 1.00 0.00 C ATOM 325 C PRO A 24 12.390 18.296 1.333 1.00 0.00 C ATOM 326 O PRO A 24 12.945 18.165 0.234 1.00 0.00 O ATOM 327 CB PRO A 24 10.751 16.747 2.537 1.00 0.00 C ATOM 328 CG PRO A 24 10.801 15.510 1.656 1.00 0.00 C ATOM 329 CD PRO A 24 10.156 15.959 0.353 1.00 0.00 C ATOM 0 HA PRO A 24 10.418 18.782 1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.545 16.743 3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.806 16.821 3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.826 15.173 1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.257 14.678 2.105 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.608 15.454 -0.501 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.093 15.718 0.340 1.00 0.00 H new ATOM 337 N ASP A 25 13.017 18.859 2.364 1.00 0.00 N ATOM 338 CA ASP A 25 14.353 19.431 2.263 1.00 0.00 C ATOM 339 C ASP A 25 14.951 19.552 3.660 1.00 0.00 C ATOM 340 O ASP A 25 14.253 19.304 4.643 1.00 0.00 O ATOM 341 CB ASP A 25 14.317 20.791 1.544 1.00 0.00 C ATOM 342 CG ASP A 25 15.577 20.951 0.704 1.00 0.00 C ATOM 343 OD1 ASP A 25 16.645 21.273 1.263 1.00 0.00 O ATOM 344 OD2 ASP A 25 15.538 20.620 -0.505 1.00 0.00 O ATOM 0 H ASP A 25 12.609 18.930 3.296 1.00 0.00 H new ATOM 0 HA ASP A 25 14.985 18.774 1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.433 20.857 0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.247 21.599 2.273 1.00 0.00 H new ATOM 349 N ASP A 26 16.223 19.943 3.741 1.00 0.00 N ATOM 350 CA ASP A 26 17.069 20.015 4.934 1.00 0.00 C ATOM 351 C ASP A 26 17.140 18.666 5.653 1.00 0.00 C ATOM 352 O ASP A 26 18.051 17.883 5.365 1.00 0.00 O ATOM 353 CB ASP A 26 16.675 21.196 5.830 1.00 0.00 C ATOM 354 CG ASP A 26 17.904 21.791 6.507 1.00 0.00 C ATOM 355 OD1 ASP A 26 18.653 21.078 7.196 1.00 0.00 O ATOM 356 OD2 ASP A 26 18.166 23.000 6.277 1.00 0.00 O ATOM 0 H ASP A 26 16.729 20.242 2.908 1.00 0.00 H new ATOM 0 HA ASP A 26 18.093 20.224 4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.176 21.960 5.234 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.962 20.864 6.585 1.00 0.00 H new ATOM 361 N SER A 27 16.154 18.381 6.500 1.00 0.00 N ATOM 362 CA SER A 27 15.594 17.078 6.819 1.00 0.00 C ATOM 363 C SER A 27 14.098 17.331 7.062 1.00 0.00 C ATOM 364 O SER A 27 13.755 18.230 7.840 1.00 0.00 O ATOM 365 CB SER A 27 16.264 16.470 8.063 1.00 0.00 C ATOM 366 OG SER A 27 17.353 15.642 7.693 1.00 0.00 O ATOM 0 H SER A 27 15.689 19.123 7.024 1.00 0.00 H new ATOM 0 HA SER A 27 15.758 16.361 6.014 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.614 17.267 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.535 15.889 8.627 1.00 0.00 H new ATOM 0 HG SER A 27 17.065 14.705 7.687 1.00 0.00 H new ATOM 372 N SER A 28 13.187 16.632 6.378 1.00 0.00 N ATOM 373 CA SER A 28 11.782 16.547 6.773 1.00 0.00 C ATOM 374 C SER A 28 11.190 15.191 6.358 1.00 0.00 C ATOM 375 O SER A 28 11.017 14.908 5.169 1.00 0.00 O ATOM 376 CB SER A 28 10.951 17.704 6.189 1.00 0.00 C ATOM 377 OG SER A 28 11.604 18.958 6.300 1.00 0.00 O ATOM 0 H SER A 28 13.407 16.108 5.531 1.00 0.00 H new ATOM 0 HA SER A 28 11.739 16.633 7.859 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.740 17.501 5.139 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.991 17.752 6.703 1.00 0.00 H new ATOM 0 HG SER A 28 12.331 18.891 6.954 1.00 0.00 H new ATOM 383 N ALA A 29 10.856 14.350 7.336 1.00 0.00 N ATOM 384 CA ALA A 29 9.956 13.208 7.215 1.00 0.00 C ATOM 385 C ALA A 29 9.077 13.141 8.469 1.00 0.00 C ATOM 386 O ALA A 29 9.216 13.966 9.379 1.00 0.00 O ATOM 387 CB ALA A 29 10.761 11.918 7.031 1.00 0.00 C ATOM 0 H ALA A 29 11.225 14.454 8.281 1.00 0.00 H new ATOM 0 HA ALA A 29 9.318 13.324 6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.079 11.073 6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.366 11.993 6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.412 11.769 7.893 1.00 0.00 H new ATOM 393 N GLY A 30 8.170 12.166 8.542 1.00 0.00 N ATOM 394 CA GLY A 30 7.353 11.911 9.715 1.00 0.00 C ATOM 395 C GLY A 30 6.059 11.201 9.341 1.00 0.00 C ATOM 396 O GLY A 30 5.835 10.825 8.187 1.00 0.00 O ATOM 0 H GLY A 30 7.984 11.524 7.771 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.912 11.303 10.426 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.123 12.853 10.213 1.00 0.00 H new ATOM 400 N SER A 31 5.210 10.987 10.340 1.00 0.00 N ATOM 401 CA SER A 31 3.919 10.347 10.205 1.00 0.00 C ATOM 402 C SER A 31 2.805 11.379 10.390 1.00 0.00 C ATOM 403 O SER A 31 2.501 11.761 11.527 1.00 0.00 O ATOM 404 CB SER A 31 3.816 9.182 11.191 1.00 0.00 C ATOM 405 OG SER A 31 4.856 8.239 11.002 1.00 0.00 O ATOM 0 H SER A 31 5.415 11.267 11.299 1.00 0.00 H new ATOM 0 HA SER A 31 3.806 9.933 9.203 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.853 9.565 12.211 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.852 8.688 11.071 1.00 0.00 H new ATOM 0 HG SER A 31 4.759 7.510 11.650 1.00 0.00 H new ATOM 411 N PHE A 32 2.217 11.829 9.277 1.00 0.00 N ATOM 412 CA PHE A 32 1.122 12.800 9.202 1.00 0.00 C ATOM 413 C PHE A 32 -0.147 12.160 8.627 1.00 0.00 C ATOM 414 O PHE A 32 -0.284 10.936 8.625 1.00 0.00 O ATOM 415 CB PHE A 32 1.580 14.070 8.464 1.00 0.00 C ATOM 416 CG PHE A 32 2.306 13.928 7.130 1.00 0.00 C ATOM 417 CD1 PHE A 32 1.613 13.889 5.896 1.00 0.00 C ATOM 418 CD2 PHE A 32 3.714 14.006 7.125 1.00 0.00 C ATOM 419 CE1 PHE A 32 2.336 13.982 4.692 1.00 0.00 C ATOM 420 CE2 PHE A 32 4.425 14.106 5.920 1.00 0.00 C ATOM 421 CZ PHE A 32 3.733 14.119 4.703 1.00 0.00 C ATOM 0 H PHE A 32 2.509 11.508 8.354 1.00 0.00 H new ATOM 0 HA PHE A 32 0.850 13.119 10.208 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.699 14.688 8.295 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.234 14.624 9.137 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.538 13.789 5.879 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.252 13.989 8.061 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.810 13.948 3.749 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.503 14.173 5.931 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.273 14.234 3.775 1.00 0.00 H new ATOM 431 N ILE A 33 -1.122 12.973 8.215 1.00 0.00 N ATOM 432 CA ILE A 33 -2.408 12.549 7.670 1.00 0.00 C ATOM 433 C ILE A 33 -2.599 13.270 6.329 1.00 0.00 C ATOM 434 O ILE A 33 -2.122 14.394 6.131 1.00 0.00 O ATOM 435 CB ILE A 33 -3.529 12.804 8.711 1.00 0.00 C ATOM 436 CG1 ILE A 33 -3.182 12.063 10.029 1.00 0.00 C ATOM 437 CG2 ILE A 33 -4.918 12.378 8.194 1.00 0.00 C ATOM 438 CD1 ILE A 33 -4.227 12.144 11.143 1.00 0.00 C ATOM 0 H ILE A 33 -1.030 13.988 8.255 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.447 11.478 7.472 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.582 13.877 8.894 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.010 11.012 9.796 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.243 12.463 10.410 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.668 12.577 8.960 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.160 12.943 7.294 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.909 11.313 7.963 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.875 11.590 12.013 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.386 13.187 11.417 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.165 11.713 10.794 1.00 0.00 H new ATOM 450 N LEU A 34 -3.288 12.604 5.400 1.00 0.00 N ATOM 451 CA LEU A 34 -3.631 13.073 4.059 1.00 0.00 C ATOM 452 C LEU A 34 -5.116 12.794 3.851 1.00 0.00 C ATOM 453 O LEU A 34 -5.702 12.007 4.600 1.00 0.00 O ATOM 454 CB LEU A 34 -2.788 12.328 3.007 1.00 0.00 C ATOM 455 CG LEU A 34 -1.297 12.702 3.050 1.00 0.00 C ATOM 456 CD1 LEU A 34 -0.437 11.644 2.358 1.00 0.00 C ATOM 457 CD2 LEU A 34 -1.027 14.051 2.399 1.00 0.00 C ATOM 0 H LEU A 34 -3.643 11.664 5.577 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.424 14.138 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.891 11.254 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.182 12.546 2.014 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.030 12.759 4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.611 11.939 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.568 10.685 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.741 11.553 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.039 14.274 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.339 14.020 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.587 14.826 2.922 1.00 0.00 H new ATOM 469 N ASP A 35 -5.724 13.395 2.833 1.00 0.00 N ATOM 470 CA ASP A 35 -7.166 13.351 2.613 1.00 0.00 C ATOM 471 C ASP A 35 -7.410 12.513 1.370 1.00 0.00 C ATOM 472 O ASP A 35 -7.087 12.928 0.253 1.00 0.00 O ATOM 473 CB ASP A 35 -7.754 14.766 2.527 1.00 0.00 C ATOM 474 CG ASP A 35 -7.966 15.332 3.932 1.00 0.00 C ATOM 475 OD1 ASP A 35 -8.949 14.923 4.590 1.00 0.00 O ATOM 476 OD2 ASP A 35 -7.154 16.179 4.377 1.00 0.00 O ATOM 0 H ASP A 35 -5.222 13.934 2.128 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.682 12.886 3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.083 15.414 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.702 14.743 1.989 1.00 0.00 H new ATOM 481 N ILE A 36 -7.899 11.289 1.587 1.00 0.00 N ATOM 482 CA ILE A 36 -7.904 10.193 0.626 1.00 0.00 C ATOM 483 C ILE A 36 -9.307 9.582 0.621 1.00 0.00 C ATOM 484 O ILE A 36 -9.919 9.462 1.686 1.00 0.00 O ATOM 485 CB ILE A 36 -6.813 9.168 1.023 1.00 0.00 C ATOM 486 CG1 ILE A 36 -5.399 9.758 0.810 1.00 0.00 C ATOM 487 CG2 ILE A 36 -6.923 7.836 0.253 1.00 0.00 C ATOM 488 CD1 ILE A 36 -4.369 9.105 1.725 1.00 0.00 C ATOM 0 H ILE A 36 -8.320 11.028 2.479 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.673 10.535 -0.383 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.977 8.955 2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.101 9.621 -0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.421 10.832 0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.130 7.162 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.892 7.379 0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.824 8.024 -0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.389 9.547 1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.653 9.265 2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.327 8.035 1.521 1.00 0.00 H new ATOM 500 N THR A 37 -9.798 9.180 -0.550 1.00 0.00 N ATOM 501 CA THR A 37 -11.118 8.596 -0.748 1.00 0.00 C ATOM 502 C THR A 37 -10.938 7.131 -1.144 1.00 0.00 C ATOM 503 O THR A 37 -10.176 6.837 -2.069 1.00 0.00 O ATOM 504 CB THR A 37 -11.877 9.336 -1.866 1.00 0.00 C ATOM 505 OG1 THR A 37 -11.759 10.748 -1.851 1.00 0.00 O ATOM 506 CG2 THR A 37 -13.366 9.033 -1.797 1.00 0.00 C ATOM 0 H THR A 37 -9.266 9.256 -1.417 1.00 0.00 H new ATOM 0 HA THR A 37 -11.694 8.680 0.173 1.00 0.00 H new ATOM 0 HB THR A 37 -11.407 8.966 -2.777 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.827 11.000 -2.021 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.883 9.566 -2.595 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.525 7.961 -1.914 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.759 9.355 -0.832 1.00 0.00 H new ATOM 514 N SER A 38 -11.640 6.211 -0.478 1.00 0.00 N ATOM 515 CA SER A 38 -11.472 4.788 -0.714 1.00 0.00 C ATOM 516 C SER A 38 -12.801 4.056 -0.497 1.00 0.00 C ATOM 517 O SER A 38 -13.017 3.424 0.537 1.00 0.00 O ATOM 518 CB SER A 38 -10.336 4.330 0.203 1.00 0.00 C ATOM 519 OG SER A 38 -10.027 2.982 -0.012 1.00 0.00 O ATOM 0 H SER A 38 -12.335 6.436 0.234 1.00 0.00 H new ATOM 0 HA SER A 38 -11.198 4.557 -1.743 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.452 4.942 0.025 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.622 4.479 1.244 1.00 0.00 H new ATOM 0 HG SER A 38 -10.609 2.421 0.542 1.00 0.00 H new ATOM 525 N TYR A 39 -13.721 4.120 -1.464 1.00 0.00 N ATOM 526 CA TYR A 39 -15.030 3.467 -1.368 1.00 0.00 C ATOM 527 C TYR A 39 -15.637 3.213 -2.755 1.00 0.00 C ATOM 528 O TYR A 39 -15.096 3.666 -3.762 1.00 0.00 O ATOM 529 CB TYR A 39 -15.974 4.309 -0.485 1.00 0.00 C ATOM 530 CG TYR A 39 -16.298 5.722 -0.926 1.00 0.00 C ATOM 531 CD1 TYR A 39 -17.317 5.943 -1.869 1.00 0.00 C ATOM 532 CD2 TYR A 39 -15.684 6.820 -0.295 1.00 0.00 C ATOM 533 CE1 TYR A 39 -17.723 7.248 -2.190 1.00 0.00 C ATOM 534 CE2 TYR A 39 -16.131 8.125 -0.569 1.00 0.00 C ATOM 535 CZ TYR A 39 -17.135 8.348 -1.535 1.00 0.00 C ATOM 536 OH TYR A 39 -17.576 9.602 -1.811 1.00 0.00 O ATOM 0 H TYR A 39 -13.579 4.627 -2.337 1.00 0.00 H new ATOM 0 HA TYR A 39 -14.895 2.492 -0.900 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -16.914 3.766 -0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -15.537 4.364 0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -17.792 5.101 -2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -14.871 6.661 0.398 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -18.485 7.408 -2.938 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -15.703 8.962 -0.037 1.00 0.00 H new ATOM 0 HH TYR A 39 -17.071 10.251 -1.278 1.00 0.00 H new ATOM 546 N LYS A 40 -16.795 2.543 -2.824 1.00 0.00 N ATOM 547 CA LYS A 40 -17.681 2.559 -3.988 1.00 0.00 C ATOM 548 C LYS A 40 -19.035 3.121 -3.579 1.00 0.00 C ATOM 549 O LYS A 40 -19.442 2.965 -2.428 1.00 0.00 O ATOM 550 CB LYS A 40 -17.741 1.185 -4.654 1.00 0.00 C ATOM 551 CG LYS A 40 -18.317 -0.009 -3.903 1.00 0.00 C ATOM 552 CD LYS A 40 -19.836 -0.118 -4.032 1.00 0.00 C ATOM 553 CE LYS A 40 -20.344 -1.369 -3.320 1.00 0.00 C ATOM 554 NZ LYS A 40 -20.818 -1.061 -1.958 1.00 0.00 N ATOM 0 H LYS A 40 -17.145 1.967 -2.059 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.285 3.221 -4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.317 1.297 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.724 0.923 -4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.859 -0.924 -4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.052 0.069 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.308 0.767 -3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.116 -0.152 -5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.155 -1.813 -3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.546 -2.110 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.156 -1.933 -1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.037 -0.660 -1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.596 -0.373 -2.009 1.00 0.00 H new ATOM 568 N LYS A 41 -19.721 3.798 -4.497 1.00 0.00 N ATOM 569 CA LYS A 41 -21.014 4.442 -4.312 1.00 0.00 C ATOM 570 C LYS A 41 -22.007 3.722 -5.191 1.00 0.00 C ATOM 571 O LYS A 41 -21.759 3.599 -6.389 1.00 0.00 O ATOM 572 CB LYS A 41 -20.896 5.924 -4.697 1.00 0.00 C ATOM 573 CG LYS A 41 -22.109 6.767 -4.280 1.00 0.00 C ATOM 574 CD LYS A 41 -21.863 8.270 -4.509 1.00 0.00 C ATOM 575 CE LYS A 41 -22.773 9.074 -3.571 1.00 0.00 C ATOM 576 NZ LYS A 41 -22.748 10.535 -3.820 1.00 0.00 N ATOM 0 H LYS A 41 -19.366 3.917 -5.446 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.345 4.393 -3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.000 6.340 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -20.765 6.001 -5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -22.984 6.451 -4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.330 6.591 -3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -20.818 8.514 -4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.068 8.531 -5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -23.797 8.714 -3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.474 8.885 -2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.385 11.012 -3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.780 10.893 -3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.062 10.727 -4.793 1.00 0.00 H new ATOM 590 N THR A 42 -23.071 3.221 -4.574 1.00 0.00 N ATOM 591 CA THR A 42 -24.229 2.598 -5.223 1.00 0.00 C ATOM 592 C THR A 42 -25.263 2.313 -4.125 1.00 0.00 C ATOM 593 O THR A 42 -25.145 2.852 -3.019 1.00 0.00 O ATOM 594 CB THR A 42 -23.819 1.371 -6.079 1.00 0.00 C ATOM 595 OG1 THR A 42 -24.907 0.810 -6.796 1.00 0.00 O ATOM 596 CG2 THR A 42 -23.141 0.268 -5.263 1.00 0.00 C ATOM 0 H THR A 42 -23.158 3.237 -3.558 1.00 0.00 H new ATOM 0 HA THR A 42 -24.688 3.264 -5.954 1.00 0.00 H new ATOM 0 HB THR A 42 -23.097 1.770 -6.791 1.00 0.00 H new ATOM 0 HG1 THR A 42 -25.516 1.524 -7.077 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.879 -0.562 -5.920 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.237 0.662 -4.798 1.00 0.00 H new ATOM 0 HG23 THR A 42 -23.823 -0.083 -4.489 1.00 0.00 H new ATOM 604 N GLY A 43 -26.284 1.506 -4.425 1.00 0.00 N ATOM 605 CA GLY A 43 -27.359 1.114 -3.530 1.00 0.00 C ATOM 606 C GLY A 43 -27.987 2.352 -2.918 1.00 0.00 C ATOM 607 O GLY A 43 -28.707 3.073 -3.608 1.00 0.00 O ATOM 0 H GLY A 43 -26.382 1.090 -5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -28.111 0.544 -4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -26.974 0.463 -2.745 1.00 0.00 H new ATOM 611 N ASN A 44 -27.660 2.621 -1.655 1.00 0.00 N ATOM 612 CA ASN A 44 -28.015 3.856 -0.967 1.00 0.00 C ATOM 613 C ASN A 44 -26.926 4.246 0.042 1.00 0.00 C ATOM 614 O ASN A 44 -27.212 4.912 1.039 1.00 0.00 O ATOM 615 CB ASN A 44 -29.389 3.701 -0.292 1.00 0.00 C ATOM 616 CG ASN A 44 -30.084 5.043 -0.084 1.00 0.00 C ATOM 617 OD1 ASN A 44 -29.487 6.116 -0.197 1.00 0.00 O ATOM 618 ND2 ASN A 44 -31.376 5.010 0.180 1.00 0.00 N ATOM 0 H ASN A 44 -27.131 1.973 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 44 -28.085 4.665 -1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -30.021 3.057 -0.903 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -29.265 3.205 0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -31.896 5.880 0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -31.855 4.114 0.270 1.00 0.00 H new ATOM 625 N SER A 45 -25.691 3.751 -0.109 1.00 0.00 N ATOM 626 CA SER A 45 -24.613 4.008 0.844 1.00 0.00 C ATOM 627 C SER A 45 -23.238 3.850 0.188 1.00 0.00 C ATOM 628 O SER A 45 -23.111 3.375 -0.945 1.00 0.00 O ATOM 629 CB SER A 45 -24.724 3.049 2.042 1.00 0.00 C ATOM 630 OG SER A 45 -26.032 2.997 2.580 1.00 0.00 O ATOM 0 H SER A 45 -25.415 3.163 -0.895 1.00 0.00 H new ATOM 0 HA SER A 45 -24.713 5.037 1.188 1.00 0.00 H new ATOM 0 HB2 SER A 45 -24.424 2.049 1.731 1.00 0.00 H new ATOM 0 HB3 SER A 45 -24.028 3.363 2.820 1.00 0.00 H new ATOM 0 HG SER A 45 -26.050 2.374 3.336 1.00 0.00 H new ATOM 636 N THR A 46 -22.195 4.186 0.942 1.00 0.00 N ATOM 637 CA THR A 46 -20.798 4.047 0.571 1.00 0.00 C ATOM 638 C THR A 46 -20.092 3.335 1.732 1.00 0.00 C ATOM 639 O THR A 46 -19.905 3.940 2.794 1.00 0.00 O ATOM 640 CB THR A 46 -20.198 5.442 0.297 1.00 0.00 C ATOM 641 OG1 THR A 46 -20.666 6.418 1.207 1.00 0.00 O ATOM 642 CG2 THR A 46 -20.606 5.962 -1.074 1.00 0.00 C ATOM 0 H THR A 46 -22.312 4.582 1.875 1.00 0.00 H new ATOM 0 HA THR A 46 -20.675 3.462 -0.340 1.00 0.00 H new ATOM 0 HB THR A 46 -19.120 5.303 0.384 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.647 6.053 2.116 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.167 6.946 -1.235 1.00 0.00 H new ATOM 0 HG22 THR A 46 -20.252 5.276 -1.843 1.00 0.00 H new ATOM 0 HG23 THR A 46 -21.692 6.036 -1.126 1.00 0.00 H new ATOM 650 N LYS A 47 -19.744 2.051 1.593 1.00 0.00 N ATOM 651 CA LYS A 47 -18.843 1.381 2.543 1.00 0.00 C ATOM 652 C LYS A 47 -17.413 1.711 2.131 1.00 0.00 C ATOM 653 O LYS A 47 -17.131 1.709 0.928 1.00 0.00 O ATOM 654 CB LYS A 47 -19.046 -0.148 2.562 1.00 0.00 C ATOM 655 CG LYS A 47 -18.377 -0.761 3.800 1.00 0.00 C ATOM 656 CD LYS A 47 -18.265 -2.291 3.770 1.00 0.00 C ATOM 657 CE LYS A 47 -16.983 -2.701 3.033 1.00 0.00 C ATOM 658 NZ LYS A 47 -16.614 -4.106 3.285 1.00 0.00 N ATOM 0 H LYS A 47 -20.071 1.454 0.833 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.059 1.737 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -20.111 -0.380 2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.626 -0.588 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.378 -0.338 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.941 -0.468 4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.253 -2.684 4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.135 -2.719 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.119 -2.551 1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.165 -2.052 3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.742 -4.334 2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.457 -4.246 4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.382 -4.730 2.964 1.00 0.00 H new ATOM 672 N ALA A 48 -16.520 1.971 3.081 1.00 0.00 N ATOM 673 CA ALA A 48 -15.113 2.128 2.754 1.00 0.00 C ATOM 674 C ALA A 48 -14.475 0.777 2.418 1.00 0.00 C ATOM 675 O ALA A 48 -14.803 -0.246 3.029 1.00 0.00 O ATOM 676 CB ALA A 48 -14.375 2.785 3.912 1.00 0.00 C ATOM 0 H ALA A 48 -16.744 2.076 4.070 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.036 2.769 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.322 2.897 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.807 3.766 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.467 2.163 4.802 1.00 0.00 H new ATOM 682 N LEU A 49 -13.517 0.791 1.491 1.00 0.00 N ATOM 683 CA LEU A 49 -12.592 -0.308 1.253 1.00 0.00 C ATOM 684 C LEU A 49 -11.258 0.044 1.901 1.00 0.00 C ATOM 685 O LEU A 49 -10.735 1.139 1.694 1.00 0.00 O ATOM 686 CB LEU A 49 -12.391 -0.578 -0.247 1.00 0.00 C ATOM 687 CG LEU A 49 -13.645 -1.080 -0.985 1.00 0.00 C ATOM 688 CD1 LEU A 49 -13.324 -1.327 -2.461 1.00 0.00 C ATOM 689 CD2 LEU A 49 -14.207 -2.363 -0.361 1.00 0.00 C ATOM 0 H LEU A 49 -13.362 1.587 0.872 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.008 -1.217 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.048 0.340 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.597 -1.315 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.405 -0.304 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.218 -1.682 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -12.987 -0.398 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -12.538 -2.078 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.091 -2.680 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.452 -3.148 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.478 -2.174 0.678 1.00 0.00 H new ATOM 701 N SER A 50 -10.687 -0.901 2.636 1.00 0.00 N ATOM 702 CA SER A 50 -9.343 -0.826 3.183 1.00 0.00 C ATOM 703 C SER A 50 -8.326 -1.014 2.047 1.00 0.00 C ATOM 704 O SER A 50 -8.689 -1.415 0.932 1.00 0.00 O ATOM 705 CB SER A 50 -9.192 -1.903 4.264 1.00 0.00 C ATOM 706 OG SER A 50 -10.265 -1.857 5.194 1.00 0.00 O ATOM 0 H SER A 50 -11.165 -1.770 2.875 1.00 0.00 H new ATOM 0 HA SER A 50 -9.160 0.147 3.639 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.155 -2.887 3.797 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.247 -1.764 4.789 1.00 0.00 H new ATOM 0 HG SER A 50 -10.142 -2.556 5.870 1.00 0.00 H new ATOM 712 N TRP A 51 -7.058 -0.706 2.302 1.00 0.00 N ATOM 713 CA TRP A 51 -5.964 -0.865 1.346 1.00 0.00 C ATOM 714 C TRP A 51 -4.642 -1.192 2.043 1.00 0.00 C ATOM 715 O TRP A 51 -4.585 -1.266 3.275 1.00 0.00 O ATOM 716 CB TRP A 51 -5.849 0.393 0.470 1.00 0.00 C ATOM 717 CG TRP A 51 -5.318 1.656 1.074 1.00 0.00 C ATOM 718 CD1 TRP A 51 -4.025 2.050 1.042 1.00 0.00 C ATOM 719 CD2 TRP A 51 -6.062 2.761 1.677 1.00 0.00 C ATOM 720 NE1 TRP A 51 -3.918 3.314 1.580 1.00 0.00 N ATOM 721 CE2 TRP A 51 -5.144 3.812 1.965 1.00 0.00 C ATOM 722 CE3 TRP A 51 -7.422 3.005 1.968 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -5.552 5.046 2.490 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -7.845 4.243 2.493 1.00 0.00 C ATOM 725 CH2 TRP A 51 -6.914 5.265 2.744 1.00 0.00 C ATOM 0 H TRP A 51 -6.754 -0.330 3.200 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.191 -1.715 0.703 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -5.215 0.144 -0.381 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.841 0.610 0.075 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.204 1.465 0.655 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -3.038 3.820 1.681 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -8.151 2.229 1.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -4.826 5.819 2.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -8.891 4.407 2.704 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.246 6.217 3.132 1.00 0.00 H new ATOM 736 N ASN A 52 -3.582 -1.370 1.246 1.00 0.00 N ATOM 737 CA ASN A 52 -2.204 -1.586 1.690 1.00 0.00 C ATOM 738 C ASN A 52 -1.220 -0.854 0.764 1.00 0.00 C ATOM 739 O ASN A 52 -1.625 -0.341 -0.283 1.00 0.00 O ATOM 740 CB ASN A 52 -1.891 -3.094 1.747 1.00 0.00 C ATOM 741 CG ASN A 52 -1.354 -3.676 0.439 1.00 0.00 C ATOM 742 OD1 ASN A 52 -0.210 -4.118 0.384 1.00 0.00 O ATOM 743 ND2 ASN A 52 -2.149 -3.724 -0.615 1.00 0.00 N ATOM 0 H ASN A 52 -3.667 -1.367 0.230 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.091 -1.176 2.694 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.161 -3.272 2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.798 -3.631 2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.814 -4.132 -1.488 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.097 -3.353 -0.556 1.00 0.00 H new ATOM 750 N ALA A 53 0.062 -0.833 1.141 1.00 0.00 N ATOM 751 CA ALA A 53 1.200 -0.395 0.333 1.00 0.00 C ATOM 752 C ALA A 53 2.306 -1.447 0.392 1.00 0.00 C ATOM 753 O ALA A 53 2.357 -2.243 1.336 1.00 0.00 O ATOM 754 CB ALA A 53 1.755 0.939 0.848 1.00 0.00 C ATOM 0 H ALA A 53 0.348 -1.139 2.071 1.00 0.00 H new ATOM 0 HA ALA A 53 0.859 -0.264 -0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.600 1.244 0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.977 1.700 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.083 0.822 1.881 1.00 0.00 H new ATOM 760 N SER A 54 3.231 -1.406 -0.565 1.00 0.00 N ATOM 761 CA SER A 54 4.500 -2.101 -0.457 1.00 0.00 C ATOM 762 C SER A 54 5.557 -1.392 -1.307 1.00 0.00 C ATOM 763 O SER A 54 5.276 -0.959 -2.431 1.00 0.00 O ATOM 764 CB SER A 54 4.300 -3.571 -0.843 1.00 0.00 C ATOM 765 OG SER A 54 3.709 -3.734 -2.123 1.00 0.00 O ATOM 0 H SER A 54 3.116 -0.888 -1.436 1.00 0.00 H new ATOM 0 HA SER A 54 4.866 -2.082 0.569 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.264 -4.079 -0.827 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.672 -4.055 -0.095 1.00 0.00 H new ATOM 0 HG SER A 54 3.607 -4.689 -2.317 1.00 0.00 H new ATOM 771 N GLY A 55 6.783 -1.295 -0.795 1.00 0.00 N ATOM 772 CA GLY A 55 7.916 -0.717 -1.492 1.00 0.00 C ATOM 773 C GLY A 55 9.038 -0.411 -0.501 1.00 0.00 C ATOM 774 O GLY A 55 9.314 -1.211 0.397 1.00 0.00 O ATOM 0 H GLY A 55 7.015 -1.627 0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.273 -1.406 -2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.612 0.196 -2.003 1.00 0.00 H new ATOM 778 N ASP A 56 9.661 0.753 -0.680 1.00 0.00 N ATOM 779 CA ASP A 56 10.740 1.334 0.120 1.00 0.00 C ATOM 780 C ASP A 56 10.453 1.191 1.620 1.00 0.00 C ATOM 781 O ASP A 56 9.361 1.543 2.075 1.00 0.00 O ATOM 782 CB ASP A 56 10.838 2.831 -0.227 1.00 0.00 C ATOM 783 CG ASP A 56 11.835 3.164 -1.334 1.00 0.00 C ATOM 784 OD1 ASP A 56 13.061 3.155 -1.068 1.00 0.00 O ATOM 785 OD2 ASP A 56 11.383 3.470 -2.461 1.00 0.00 O ATOM 0 H ASP A 56 9.403 1.366 -1.453 1.00 0.00 H new ATOM 0 HA ASP A 56 11.671 0.813 -0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.852 3.186 -0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.116 3.381 0.672 1.00 0.00 H new ATOM 790 N SER A 57 11.418 0.705 2.408 1.00 0.00 N ATOM 791 CA SER A 57 11.255 0.372 3.833 1.00 0.00 C ATOM 792 C SER A 57 11.328 1.591 4.768 1.00 0.00 C ATOM 793 O SER A 57 11.796 1.488 5.900 1.00 0.00 O ATOM 794 CB SER A 57 12.234 -0.739 4.239 1.00 0.00 C ATOM 795 OG SER A 57 12.119 -1.803 3.300 1.00 0.00 O ATOM 0 H SER A 57 12.362 0.526 2.065 1.00 0.00 H new ATOM 0 HA SER A 57 10.239 -0.005 3.955 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.255 -0.357 4.257 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.009 -1.094 5.245 1.00 0.00 H new ATOM 0 HG SER A 57 12.739 -2.522 3.543 1.00 0.00 H new ATOM 801 N TRP A 58 10.900 2.758 4.292 1.00 0.00 N ATOM 802 CA TRP A 58 10.747 3.985 5.065 1.00 0.00 C ATOM 803 C TRP A 58 9.393 4.637 4.765 1.00 0.00 C ATOM 804 O TRP A 58 9.275 5.849 4.882 1.00 0.00 O ATOM 805 CB TRP A 58 11.934 4.924 4.780 1.00 0.00 C ATOM 806 CG TRP A 58 12.270 5.179 3.339 1.00 0.00 C ATOM 807 CD1 TRP A 58 12.875 4.294 2.519 1.00 0.00 C ATOM 808 CD2 TRP A 58 12.067 6.385 2.538 1.00 0.00 C ATOM 809 NE1 TRP A 58 13.093 4.872 1.286 1.00 0.00 N ATOM 810 CE2 TRP A 58 12.678 6.185 1.265 1.00 0.00 C ATOM 811 CE3 TRP A 58 11.459 7.639 2.758 1.00 0.00 C ATOM 812 CZ2 TRP A 58 12.756 7.202 0.302 1.00 0.00 C ATOM 813 CZ3 TRP A 58 11.502 8.659 1.787 1.00 0.00 C ATOM 814 CH2 TRP A 58 12.165 8.451 0.565 1.00 0.00 C ATOM 0 H TRP A 58 10.639 2.878 3.313 1.00 0.00 H new ATOM 0 HA TRP A 58 10.756 3.758 6.131 1.00 0.00 H new ATOM 0 HB2 TRP A 58 11.729 5.883 5.255 1.00 0.00 H new ATOM 0 HB3 TRP A 58 12.818 4.510 5.266 1.00 0.00 H new ATOM 0 HD1 TRP A 58 13.148 3.284 2.788 1.00 0.00 H new ATOM 0 HE1 TRP A 58 13.509 4.388 0.490 1.00 0.00 H new ATOM 0 HE3 TRP A 58 10.949 7.821 3.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.266 7.027 -0.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 11.023 9.607 1.983 1.00 0.00 H new ATOM 0 HH2 TRP A 58 12.220 9.244 -0.166 1.00 0.00 H new ATOM 825 N ILE A 59 8.384 3.890 4.304 1.00 0.00 N ATOM 826 CA ILE A 59 7.125 4.438 3.791 1.00 0.00 C ATOM 827 C ILE A 59 6.009 3.459 4.192 1.00 0.00 C ATOM 828 O ILE A 59 5.947 2.356 3.639 1.00 0.00 O ATOM 829 CB ILE A 59 7.229 4.643 2.252 1.00 0.00 C ATOM 830 CG1 ILE A 59 8.388 5.608 1.887 1.00 0.00 C ATOM 831 CG2 ILE A 59 5.871 5.120 1.698 1.00 0.00 C ATOM 832 CD1 ILE A 59 8.560 5.968 0.410 1.00 0.00 C ATOM 0 H ILE A 59 8.420 2.871 4.277 1.00 0.00 H new ATOM 0 HA ILE A 59 6.902 5.418 4.213 1.00 0.00 H new ATOM 0 HB ILE A 59 7.468 3.689 1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.246 6.533 2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.320 5.164 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.948 5.263 0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.108 4.372 1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.597 6.063 2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.404 6.648 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.744 5.061 -0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.654 6.452 0.045 1.00 0.00 H new ATOM 844 N HIS A 60 5.153 3.817 5.153 1.00 0.00 N ATOM 845 CA HIS A 60 4.059 2.977 5.657 1.00 0.00 C ATOM 846 C HIS A 60 2.730 3.699 5.422 1.00 0.00 C ATOM 847 O HIS A 60 2.723 4.911 5.182 1.00 0.00 O ATOM 848 CB HIS A 60 4.211 2.667 7.159 1.00 0.00 C ATOM 849 CG HIS A 60 5.530 2.088 7.612 1.00 0.00 C ATOM 850 ND1 HIS A 60 5.677 0.894 8.280 1.00 0.00 N ATOM 851 CD2 HIS A 60 6.762 2.690 7.564 1.00 0.00 C ATOM 852 CE1 HIS A 60 6.977 0.760 8.592 1.00 0.00 C ATOM 853 NE2 HIS A 60 7.678 1.833 8.182 1.00 0.00 N ATOM 0 H HIS A 60 5.202 4.725 5.616 1.00 0.00 H new ATOM 0 HA HIS A 60 4.087 2.029 5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.038 3.589 7.714 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.421 1.971 7.442 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.984 3.653 7.127 1.00 0.00 H new ATOM 0 HE1 HIS A 60 7.401 -0.092 9.102 1.00 0.00 H new ATOM 0 HE2 HIS A 60 8.679 1.990 8.299 1.00 0.00 H new ATOM 861 N VAL A 61 1.603 2.986 5.514 1.00 0.00 N ATOM 862 CA VAL A 61 0.289 3.576 5.298 1.00 0.00 C ATOM 863 C VAL A 61 -0.757 2.916 6.197 1.00 0.00 C ATOM 864 O VAL A 61 -0.659 1.731 6.532 1.00 0.00 O ATOM 865 CB VAL A 61 -0.057 3.489 3.796 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.379 2.069 3.313 1.00 0.00 C ATOM 867 CG2 VAL A 61 -1.218 4.408 3.416 1.00 0.00 C ATOM 0 H VAL A 61 1.581 1.991 5.739 1.00 0.00 H new ATOM 0 HA VAL A 61 0.296 4.630 5.577 1.00 0.00 H new ATOM 0 HB VAL A 61 0.854 3.817 3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.612 2.091 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.482 1.423 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.237 1.683 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.424 4.312 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.105 4.128 3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.954 5.441 3.643 1.00 0.00 H new ATOM 877 N ASN A 62 -1.803 3.668 6.524 1.00 0.00 N ATOM 878 CA ASN A 62 -3.054 3.263 7.111 1.00 0.00 C ATOM 879 C ASN A 62 -4.188 4.088 6.509 1.00 0.00 C ATOM 880 O ASN A 62 -3.926 5.115 5.874 1.00 0.00 O ATOM 881 CB ASN A 62 -2.995 3.503 8.622 1.00 0.00 C ATOM 882 CG ASN A 62 -3.664 2.322 9.256 1.00 0.00 C ATOM 883 OD1 ASN A 62 -4.832 2.375 9.620 1.00 0.00 O ATOM 884 ND2 ASN A 62 -2.944 1.219 9.249 1.00 0.00 N ATOM 0 H ASN A 62 -1.783 4.675 6.364 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.231 2.206 6.911 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.964 3.596 8.962 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.503 4.429 8.890 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.356 0.339 9.560 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.975 1.245 8.933 1.00 0.00 H new ATOM 891 N GLY A 63 -5.438 3.701 6.770 1.00 0.00 N ATOM 892 CA GLY A 63 -6.606 4.367 6.204 1.00 0.00 C ATOM 893 C GLY A 63 -6.692 5.855 6.556 1.00 0.00 C ATOM 894 O GLY A 63 -7.132 6.656 5.731 1.00 0.00 O ATOM 0 H GLY A 63 -5.666 2.916 7.380 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.586 4.259 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.507 3.866 6.558 1.00 0.00 H new ATOM 898 N SER A 64 -6.223 6.244 7.747 1.00 0.00 N ATOM 899 CA SER A 64 -6.271 7.625 8.230 1.00 0.00 C ATOM 900 C SER A 64 -4.904 8.176 8.629 1.00 0.00 C ATOM 901 O SER A 64 -4.852 9.186 9.326 1.00 0.00 O ATOM 902 CB SER A 64 -7.209 7.766 9.430 1.00 0.00 C ATOM 903 OG SER A 64 -8.328 6.899 9.396 1.00 0.00 O ATOM 0 H SER A 64 -5.794 5.598 8.410 1.00 0.00 H new ATOM 0 HA SER A 64 -6.643 8.204 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.644 7.577 10.343 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.563 8.796 9.482 1.00 0.00 H new ATOM 0 HG SER A 64 -8.879 7.045 10.193 1.00 0.00 H new ATOM 909 N SER A 65 -3.802 7.499 8.305 1.00 0.00 N ATOM 910 CA SER A 65 -2.500 7.865 8.840 1.00 0.00 C ATOM 911 C SER A 65 -1.425 7.417 7.865 1.00 0.00 C ATOM 912 O SER A 65 -1.509 6.352 7.250 1.00 0.00 O ATOM 913 CB SER A 65 -2.370 7.239 10.234 1.00 0.00 C ATOM 914 OG SER A 65 -1.070 7.307 10.778 1.00 0.00 O ATOM 0 H SER A 65 -3.790 6.696 7.676 1.00 0.00 H new ATOM 0 HA SER A 65 -2.384 8.943 8.954 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.062 7.740 10.911 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.676 6.194 10.181 1.00 0.00 H new ATOM 0 HG SER A 65 -1.065 6.891 11.665 1.00 0.00 H new ATOM 920 N VAL A 66 -0.396 8.235 7.743 1.00 0.00 N ATOM 921 CA VAL A 66 0.668 8.139 6.766 1.00 0.00 C ATOM 922 C VAL A 66 1.949 8.013 7.577 1.00 0.00 C ATOM 923 O VAL A 66 2.025 8.560 8.675 1.00 0.00 O ATOM 924 CB VAL A 66 0.675 9.438 5.934 1.00 0.00 C ATOM 925 CG1 VAL A 66 1.602 9.330 4.725 1.00 0.00 C ATOM 926 CG2 VAL A 66 -0.717 9.850 5.430 1.00 0.00 C ATOM 0 H VAL A 66 -0.275 9.035 8.365 1.00 0.00 H new ATOM 0 HA VAL A 66 0.554 7.297 6.084 1.00 0.00 H new ATOM 0 HB VAL A 66 1.035 10.203 6.622 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.579 10.265 4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.620 9.134 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.270 8.514 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.637 10.771 4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.124 9.060 4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.379 10.011 6.281 1.00 0.00 H new ATOM 936 N SER A 67 2.969 7.348 7.043 1.00 0.00 N ATOM 937 CA SER A 67 4.311 7.431 7.585 1.00 0.00 C ATOM 938 C SER A 67 5.288 7.512 6.426 1.00 0.00 C ATOM 939 O SER A 67 5.190 6.708 5.492 1.00 0.00 O ATOM 940 CB SER A 67 4.629 6.227 8.478 1.00 0.00 C ATOM 941 OG SER A 67 3.510 5.777 9.229 1.00 0.00 O ATOM 0 H SER A 67 2.884 6.741 6.227 1.00 0.00 H new ATOM 0 HA SER A 67 4.395 8.320 8.210 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.995 5.409 7.857 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.435 6.493 9.162 1.00 0.00 H new ATOM 0 HG SER A 67 3.772 5.008 9.777 1.00 0.00 H new ATOM 947 N TYR A 68 6.244 8.429 6.519 1.00 0.00 N ATOM 948 CA TYR A 68 7.515 8.325 5.831 1.00 0.00 C ATOM 949 C TYR A 68 8.582 8.511 6.912 1.00 0.00 C ATOM 950 O TYR A 68 8.414 9.324 7.823 1.00 0.00 O ATOM 951 CB TYR A 68 7.642 9.331 4.671 1.00 0.00 C ATOM 952 CG TYR A 68 6.361 9.591 3.895 1.00 0.00 C ATOM 953 CD1 TYR A 68 5.964 8.711 2.874 1.00 0.00 C ATOM 954 CD2 TYR A 68 5.540 10.689 4.219 1.00 0.00 C ATOM 955 CE1 TYR A 68 4.750 8.901 2.202 1.00 0.00 C ATOM 956 CE2 TYR A 68 4.338 10.902 3.519 1.00 0.00 C ATOM 957 CZ TYR A 68 3.935 10.010 2.505 1.00 0.00 C ATOM 958 OH TYR A 68 2.779 10.213 1.818 1.00 0.00 O ATOM 0 H TYR A 68 6.152 9.274 7.083 1.00 0.00 H new ATOM 0 HA TYR A 68 7.626 7.358 5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.004 10.278 5.071 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.400 8.967 3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.601 7.881 2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.834 11.368 5.006 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.437 8.194 1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.720 11.754 3.760 1.00 0.00 H new ATOM 0 HH TYR A 68 2.747 11.139 1.498 1.00 0.00 H new ATOM 968 N ASP A 69 9.646 7.723 6.879 1.00 0.00 N ATOM 969 CA ASP A 69 10.834 7.912 7.706 1.00 0.00 C ATOM 970 C ASP A 69 11.896 8.607 6.857 1.00 0.00 C ATOM 971 O ASP A 69 11.614 9.019 5.731 1.00 0.00 O ATOM 972 CB ASP A 69 11.324 6.573 8.279 1.00 0.00 C ATOM 973 CG ASP A 69 11.967 6.801 9.646 1.00 0.00 C ATOM 974 OD1 ASP A 69 11.211 6.774 10.650 1.00 0.00 O ATOM 975 OD2 ASP A 69 13.194 7.020 9.718 1.00 0.00 O ATOM 0 H ASP A 69 9.711 6.914 6.262 1.00 0.00 H new ATOM 0 HA ASP A 69 10.604 8.539 8.567 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.489 5.879 8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.044 6.118 7.599 1.00 0.00 H new ATOM 980 N GLU A 70 13.114 8.751 7.367 1.00 0.00 N ATOM 981 CA GLU A 70 14.234 9.217 6.567 1.00 0.00 C ATOM 982 C GLU A 70 15.091 8.016 6.172 1.00 0.00 C ATOM 983 O GLU A 70 14.916 6.890 6.644 1.00 0.00 O ATOM 984 CB GLU A 70 14.997 10.322 7.321 1.00 0.00 C ATOM 985 CG GLU A 70 14.502 11.697 6.864 1.00 0.00 C ATOM 986 CD GLU A 70 15.149 12.869 7.597 1.00 0.00 C ATOM 987 OE1 GLU A 70 14.805 13.096 8.780 1.00 0.00 O ATOM 988 OE2 GLU A 70 15.969 13.574 6.966 1.00 0.00 O ATOM 0 H GLU A 70 13.349 8.549 8.339 1.00 0.00 H new ATOM 0 HA GLU A 70 13.895 9.679 5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.850 10.211 8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.067 10.230 7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.691 11.802 5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.422 11.747 7.003 1.00 0.00 H new ATOM 995 N ASN A 71 16.020 8.250 5.254 1.00 0.00 N ATOM 996 CA ASN A 71 17.111 7.341 4.926 1.00 0.00 C ATOM 997 C ASN A 71 18.177 7.425 6.024 1.00 0.00 C ATOM 998 O ASN A 71 18.202 8.388 6.791 1.00 0.00 O ATOM 999 CB ASN A 71 17.694 7.703 3.543 1.00 0.00 C ATOM 1000 CG ASN A 71 18.061 9.177 3.368 1.00 0.00 C ATOM 1001 OD1 ASN A 71 18.226 9.926 4.321 1.00 0.00 O ATOM 1002 ND2 ASN A 71 18.129 9.654 2.137 1.00 0.00 N ATOM 0 H ASN A 71 16.035 9.106 4.699 1.00 0.00 H new ATOM 0 HA ASN A 71 16.746 6.315 4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.584 7.098 3.370 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.969 7.430 2.776 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.319 10.644 1.984 1.00 0.00 H new ATOM 0 HD22 ASN A 71 17.992 9.032 1.341 1.00 0.00 H new ATOM 1009 N PRO A 72 19.054 6.416 6.138 1.00 0.00 N ATOM 1010 CA PRO A 72 20.155 6.449 7.086 1.00 0.00 C ATOM 1011 C PRO A 72 21.258 7.383 6.594 1.00 0.00 C ATOM 1012 O PRO A 72 21.779 8.177 7.372 1.00 0.00 O ATOM 1013 CB PRO A 72 20.643 5.001 7.202 1.00 0.00 C ATOM 1014 CG PRO A 72 20.201 4.342 5.894 1.00 0.00 C ATOM 1015 CD PRO A 72 18.958 5.121 5.486 1.00 0.00 C ATOM 0 HA PRO A 72 19.848 6.834 8.059 1.00 0.00 H new ATOM 0 HB2 PRO A 72 21.725 4.955 7.324 1.00 0.00 H new ATOM 0 HB3 PRO A 72 20.204 4.502 8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 72 20.979 4.406 5.133 1.00 0.00 H new ATOM 0 HG3 PRO A 72 19.980 3.284 6.036 1.00 0.00 H new ATOM 0 HD2 PRO A 72 18.908 5.234 4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 72 18.053 4.597 5.794 1.00 0.00 H new ATOM 1023 N ALA A 73 21.650 7.262 5.320 1.00 0.00 N ATOM 1024 CA ALA A 73 22.814 7.953 4.793 1.00 0.00 C ATOM 1025 C ALA A 73 22.414 9.283 4.171 1.00 0.00 C ATOM 1026 O ALA A 73 21.259 9.486 3.788 1.00 0.00 O ATOM 1027 CB ALA A 73 23.495 7.078 3.742 1.00 0.00 C ATOM 0 H ALA A 73 21.166 6.683 4.634 1.00 0.00 H new ATOM 0 HA ALA A 73 23.505 8.148 5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.368 7.597 3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 73 23.807 6.138 4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 73 22.796 6.874 2.931 1.00 0.00 H new ATOM 1033 N LYS A 74 23.405 10.136 3.917 1.00 0.00 N ATOM 1034 CA LYS A 74 23.206 11.511 3.494 1.00 0.00 C ATOM 1035 C LYS A 74 23.067 11.657 1.983 1.00 0.00 C ATOM 1036 O LYS A 74 22.930 12.776 1.481 1.00 0.00 O ATOM 1037 CB LYS A 74 24.258 12.411 4.154 1.00 0.00 C ATOM 1038 CG LYS A 74 25.702 12.113 3.744 1.00 0.00 C ATOM 1039 CD LYS A 74 26.243 13.168 2.781 1.00 0.00 C ATOM 1040 CE LYS A 74 27.572 12.703 2.183 1.00 0.00 C ATOM 1041 NZ LYS A 74 28.107 13.690 1.229 1.00 0.00 N ATOM 0 H LYS A 74 24.388 9.879 4.003 1.00 0.00 H new ATOM 0 HA LYS A 74 22.237 11.861 3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.032 13.449 3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.174 12.312 5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.332 12.073 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 74 25.752 11.131 3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 74 25.521 13.349 1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 74 26.383 14.113 3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 74 28.295 12.539 2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 74 27.431 11.747 1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 29.008 13.345 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 27.427 13.828 0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 28.264 14.595 1.717 1.00 0.00 H new ATOM 1055 N GLU A 75 23.091 10.553 1.232 1.00 0.00 N ATOM 1056 CA GLU A 75 22.807 10.630 -0.192 1.00 0.00 C ATOM 1057 C GLU A 75 21.326 10.908 -0.417 1.00 0.00 C ATOM 1058 O GLU A 75 20.478 10.404 0.328 1.00 0.00 O ATOM 1059 CB GLU A 75 23.152 9.345 -0.947 1.00 0.00 C ATOM 1060 CG GLU A 75 24.649 9.160 -1.167 1.00 0.00 C ATOM 1061 CD GLU A 75 24.916 8.157 -2.294 1.00 0.00 C ATOM 1062 OE1 GLU A 75 24.229 7.110 -2.382 1.00 0.00 O ATOM 1063 OE2 GLU A 75 25.793 8.427 -3.141 1.00 0.00 O ATOM 0 H GLU A 75 23.300 9.618 1.581 1.00 0.00 H new ATOM 0 HA GLU A 75 23.432 11.436 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 75 22.765 8.490 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 75 22.648 9.353 -1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.106 10.119 -1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 75 25.116 8.811 -0.246 1.00 0.00 H new ATOM 1070 N ARG A 76 21.019 11.613 -1.506 1.00 0.00 N ATOM 1071 CA ARG A 76 19.655 11.873 -1.940 1.00 0.00 C ATOM 1072 C ARG A 76 18.971 10.541 -2.253 1.00 0.00 C ATOM 1073 O ARG A 76 19.600 9.665 -2.859 1.00 0.00 O ATOM 1074 CB ARG A 76 19.691 12.810 -3.168 1.00 0.00 C ATOM 1075 CG ARG A 76 19.026 14.158 -2.867 1.00 0.00 C ATOM 1076 CD ARG A 76 18.579 14.948 -4.107 1.00 0.00 C ATOM 1077 NE ARG A 76 17.562 15.962 -3.769 1.00 0.00 N ATOM 1078 CZ ARG A 76 17.665 16.947 -2.869 1.00 0.00 C ATOM 1079 NH1 ARG A 76 18.827 17.305 -2.336 1.00 0.00 N ATOM 1080 NH2 ARG A 76 16.576 17.592 -2.479 1.00 0.00 N ATOM 0 H ARG A 76 21.725 12.024 -2.117 1.00 0.00 H new ATOM 0 HA ARG A 76 19.081 12.368 -1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 76 20.725 12.973 -3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 76 19.184 12.332 -4.006 1.00 0.00 H new ATOM 0 HG2 ARG A 76 18.157 13.985 -2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 76 19.722 14.771 -2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 76 19.443 15.435 -4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 76 18.175 14.261 -4.851 1.00 0.00 H new ATOM 0 HE ARG A 76 16.681 15.906 -4.279 1.00 0.00 H new ATOM 0 HH11 ARG A 76 19.684 16.824 -2.610 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.863 18.061 -1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.667 17.337 -2.864 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.647 18.344 -1.793 1.00 0.00 H new ATOM 1094 N ARG A 77 17.698 10.383 -1.878 1.00 0.00 N ATOM 1095 CA ARG A 77 16.892 9.198 -2.196 1.00 0.00 C ATOM 1096 C ARG A 77 15.564 9.624 -2.802 1.00 0.00 C ATOM 1097 O ARG A 77 15.040 10.688 -2.464 1.00 0.00 O ATOM 1098 CB ARG A 77 16.636 8.362 -0.929 1.00 0.00 C ATOM 1099 CG ARG A 77 17.852 7.569 -0.428 1.00 0.00 C ATOM 1100 CD ARG A 77 18.220 6.382 -1.330 1.00 0.00 C ATOM 1101 NE ARG A 77 19.345 6.689 -2.222 1.00 0.00 N ATOM 1102 CZ ARG A 77 20.648 6.595 -1.940 1.00 0.00 C ATOM 1103 NH1 ARG A 77 21.064 6.177 -0.751 1.00 0.00 N ATOM 1104 NH2 ARG A 77 21.533 6.910 -2.875 1.00 0.00 N ATOM 0 H ARG A 77 17.190 11.084 -1.338 1.00 0.00 H new ATOM 0 HA ARG A 77 17.441 8.589 -2.914 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.300 9.027 -0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 77 15.822 7.665 -1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.708 8.239 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 77 17.648 7.202 0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.475 5.522 -0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.353 6.099 -1.927 1.00 0.00 H new ATOM 0 HE ARG A 77 19.106 7.009 -3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 77 20.385 5.921 -0.034 1.00 0.00 H new ATOM 0 HH12 ARG A 77 22.063 6.112 -0.554 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.216 7.219 -3.794 1.00 0.00 H new ATOM 0 HH22 ARG A 77 22.531 6.844 -2.676 1.00 0.00 H new ATOM 1118 N THR A 78 14.999 8.777 -3.654 1.00 0.00 N ATOM 1119 CA THR A 78 13.686 8.948 -4.244 1.00 0.00 C ATOM 1120 C THR A 78 12.837 7.742 -3.843 1.00 0.00 C ATOM 1121 O THR A 78 12.962 6.657 -4.420 1.00 0.00 O ATOM 1122 CB THR A 78 13.795 9.150 -5.760 1.00 0.00 C ATOM 1123 OG1 THR A 78 14.612 10.268 -6.048 1.00 0.00 O ATOM 1124 CG2 THR A 78 12.417 9.418 -6.373 1.00 0.00 C ATOM 0 H THR A 78 15.463 7.922 -3.961 1.00 0.00 H new ATOM 0 HA THR A 78 13.197 9.849 -3.873 1.00 0.00 H new ATOM 0 HB THR A 78 14.224 8.240 -6.180 1.00 0.00 H new ATOM 0 HG1 THR A 78 14.675 10.386 -7.019 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.519 9.558 -7.449 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.761 8.570 -6.178 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.990 10.317 -5.929 1.00 0.00 H new ATOM 1132 N GLY A 79 11.979 7.920 -2.842 1.00 0.00 N ATOM 1133 CA GLY A 79 11.054 6.882 -2.418 1.00 0.00 C ATOM 1134 C GLY A 79 10.000 6.699 -3.497 1.00 0.00 C ATOM 1135 O GLY A 79 9.555 7.695 -4.074 1.00 0.00 O ATOM 0 H GLY A 79 11.908 8.785 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.587 5.947 -2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.584 7.157 -1.474 1.00 0.00 H new ATOM 1139 N LEU A 80 9.597 5.456 -3.772 1.00 0.00 N ATOM 1140 CA LEU A 80 8.524 5.155 -4.714 1.00 0.00 C ATOM 1141 C LEU A 80 7.876 3.833 -4.315 1.00 0.00 C ATOM 1142 O LEU A 80 8.444 2.770 -4.594 1.00 0.00 O ATOM 1143 CB LEU A 80 9.083 5.074 -6.148 1.00 0.00 C ATOM 1144 CG LEU A 80 7.991 4.962 -7.232 1.00 0.00 C ATOM 1145 CD1 LEU A 80 7.170 6.250 -7.380 1.00 0.00 C ATOM 1146 CD2 LEU A 80 8.634 4.644 -8.587 1.00 0.00 C ATOM 0 H LEU A 80 10.010 4.628 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 80 7.776 5.947 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.688 5.960 -6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.746 4.212 -6.222 1.00 0.00 H new ATOM 0 HG LEU A 80 7.320 4.163 -6.917 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.417 6.114 -8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.679 6.479 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.830 7.073 -7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.858 4.566 -9.349 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.328 5.440 -8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.174 3.699 -8.521 1.00 0.00 H new ATOM 1158 N VAL A 81 6.696 3.857 -3.691 1.00 0.00 N ATOM 1159 CA VAL A 81 5.987 2.619 -3.345 1.00 0.00 C ATOM 1160 C VAL A 81 4.772 2.426 -4.248 1.00 0.00 C ATOM 1161 O VAL A 81 4.335 3.365 -4.923 1.00 0.00 O ATOM 1162 CB VAL A 81 5.652 2.531 -1.840 1.00 0.00 C ATOM 1163 CG1 VAL A 81 6.878 2.868 -0.992 1.00 0.00 C ATOM 1164 CG2 VAL A 81 4.478 3.407 -1.397 1.00 0.00 C ATOM 0 H VAL A 81 6.213 4.712 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 81 6.660 1.782 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 81 5.345 1.497 -1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.619 2.800 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.680 2.164 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.211 3.881 -1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.314 3.282 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.703 4.452 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.579 3.112 -1.938 1.00 0.00 H new ATOM 1174 N THR A 82 4.237 1.206 -4.280 1.00 0.00 N ATOM 1175 CA THR A 82 2.966 0.906 -4.919 1.00 0.00 C ATOM 1176 C THR A 82 1.952 0.645 -3.800 1.00 0.00 C ATOM 1177 O THR A 82 2.326 0.355 -2.663 1.00 0.00 O ATOM 1178 CB THR A 82 3.130 -0.276 -5.894 1.00 0.00 C ATOM 1179 OG1 THR A 82 4.265 -0.090 -6.729 1.00 0.00 O ATOM 1180 CG2 THR A 82 1.897 -0.411 -6.803 1.00 0.00 C ATOM 0 H THR A 82 4.683 0.392 -3.857 1.00 0.00 H new ATOM 0 HA THR A 82 2.604 1.735 -5.528 1.00 0.00 H new ATOM 0 HB THR A 82 3.252 -1.174 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.351 -0.852 -7.339 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.036 -1.252 -7.482 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.011 -0.581 -6.191 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.769 0.505 -7.380 1.00 0.00 H new ATOM 1188 N LEU A 83 0.667 0.795 -4.115 1.00 0.00 N ATOM 1189 CA LEU A 83 -0.463 0.638 -3.216 1.00 0.00 C ATOM 1190 C LEU A 83 -1.572 -0.115 -3.955 1.00 0.00 C ATOM 1191 O LEU A 83 -1.581 -0.108 -5.193 1.00 0.00 O ATOM 1192 CB LEU A 83 -0.935 2.029 -2.758 1.00 0.00 C ATOM 1193 CG LEU A 83 0.078 2.804 -1.897 1.00 0.00 C ATOM 1194 CD1 LEU A 83 0.907 3.830 -2.684 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -0.646 3.562 -0.781 1.00 0.00 C ATOM 0 H LEU A 83 0.375 1.044 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.184 0.066 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.172 2.625 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.859 1.915 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 83 0.757 2.047 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.597 4.335 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.471 3.320 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.241 4.564 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.082 4.106 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.353 4.266 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.183 2.854 -0.149 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.509 -0.752 -3.234 1.00 0.00 N ATOM 1208 CA LYS A 84 -3.674 -1.396 -3.849 1.00 0.00 C ATOM 1209 C LYS A 84 -4.823 -1.511 -2.842 1.00 0.00 C ATOM 1210 O LYS A 84 -4.594 -1.772 -1.660 1.00 0.00 O ATOM 1211 CB LYS A 84 -3.301 -2.797 -4.371 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.315 -3.297 -5.417 1.00 0.00 C ATOM 1213 CD LYS A 84 -4.757 -4.743 -5.175 1.00 0.00 C ATOM 1214 CE LYS A 84 -5.915 -5.075 -6.126 1.00 0.00 C ATOM 1215 NZ LYS A 84 -7.073 -5.681 -5.438 1.00 0.00 N ATOM 0 H LYS A 84 -2.479 -0.833 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.999 -0.778 -4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.305 -2.769 -4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.260 -3.498 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.191 -2.648 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.873 -3.219 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.924 -5.425 -5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.071 -4.873 -4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.236 -4.164 -6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.560 -5.758 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.446 -6.464 -6.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.775 -6.043 -4.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.814 -4.963 -5.308 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.047 -1.328 -3.344 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.326 -1.460 -2.655 1.00 0.00 C ATOM 1231 C GLN A 85 -7.718 -2.931 -2.503 1.00 0.00 C ATOM 1232 O GLN A 85 -7.196 -3.808 -3.187 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.365 -0.643 -3.462 1.00 0.00 C ATOM 1234 CG GLN A 85 -9.871 -0.849 -3.259 1.00 0.00 C ATOM 1235 CD GLN A 85 -10.648 0.345 -3.817 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -11.240 0.260 -4.879 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -10.667 1.475 -3.140 1.00 0.00 N ATOM 0 H GLN A 85 -6.175 -1.063 -4.321 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.269 -1.070 -1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.160 0.410 -3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.159 -0.821 -4.517 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.190 -1.765 -3.757 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.089 -0.970 -2.198 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.171 1.545 -2.251 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.177 2.279 -3.505 1.00 0.00 H new ATOM 1246 N ASP A 86 -8.696 -3.165 -1.634 1.00 0.00 N ATOM 1247 CA ASP A 86 -9.449 -4.410 -1.467 1.00 0.00 C ATOM 1248 C ASP A 86 -10.033 -4.936 -2.795 1.00 0.00 C ATOM 1249 O ASP A 86 -9.380 -5.716 -3.488 1.00 0.00 O ATOM 1250 CB ASP A 86 -10.544 -4.140 -0.420 1.00 0.00 C ATOM 1251 CG ASP A 86 -11.406 -5.353 -0.048 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -11.343 -6.411 -0.701 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -12.116 -5.252 0.976 1.00 0.00 O ATOM 0 H ASP A 86 -9.007 -2.444 -0.983 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.783 -5.202 -1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -10.072 -3.758 0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.197 -3.352 -0.796 1.00 0.00 H new ATOM 1258 N GLU A 87 -11.222 -4.478 -3.209 1.00 0.00 N ATOM 1259 CA GLU A 87 -11.963 -5.101 -4.321 1.00 0.00 C ATOM 1260 C GLU A 87 -11.589 -4.486 -5.675 1.00 0.00 C ATOM 1261 O GLU A 87 -12.008 -4.966 -6.730 1.00 0.00 O ATOM 1262 CB GLU A 87 -13.480 -4.969 -4.092 1.00 0.00 C ATOM 1263 CG GLU A 87 -13.935 -5.636 -2.789 1.00 0.00 C ATOM 1264 CD GLU A 87 -15.455 -5.787 -2.737 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -15.998 -6.789 -3.249 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -16.149 -4.911 -2.162 1.00 0.00 O ATOM 0 H GLU A 87 -11.695 -3.676 -2.791 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.686 -6.155 -4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.751 -3.913 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.012 -5.417 -4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.468 -6.617 -2.699 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.598 -5.043 -1.939 1.00 0.00 H new ATOM 1273 N SER A 88 -10.816 -3.406 -5.651 1.00 0.00 N ATOM 1274 CA SER A 88 -10.287 -2.669 -6.785 1.00 0.00 C ATOM 1275 C SER A 88 -8.826 -2.331 -6.491 1.00 0.00 C ATOM 1276 O SER A 88 -8.170 -3.104 -5.801 1.00 0.00 O ATOM 1277 CB SER A 88 -11.170 -1.478 -7.155 1.00 0.00 C ATOM 1278 OG SER A 88 -11.591 -1.598 -8.498 1.00 0.00 O ATOM 0 H SER A 88 -10.522 -2.993 -4.766 1.00 0.00 H new ATOM 0 HA SER A 88 -10.304 -3.278 -7.689 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.036 -1.436 -6.494 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.619 -0.548 -7.018 1.00 0.00 H new ATOM 0 HG SER A 88 -12.158 -0.834 -8.732 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.250 -1.270 -7.058 1.00 0.00 N ATOM 1285 CA GLY A 89 -6.816 -1.274 -7.304 1.00 0.00 C ATOM 1286 C GLY A 89 -6.401 -0.354 -8.434 1.00 0.00 C ATOM 1287 O GLY A 89 -5.546 -0.725 -9.236 1.00 0.00 O ATOM 0 H GLY A 89 -8.740 -0.423 -7.346 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.297 -0.977 -6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.497 -2.290 -7.536 1.00 0.00 H new ATOM 1291 N LYS A 90 -6.948 0.864 -8.461 1.00 0.00 N ATOM 1292 CA LYS A 90 -6.205 2.001 -8.986 1.00 0.00 C ATOM 1293 C LYS A 90 -4.950 2.092 -8.127 1.00 0.00 C ATOM 1294 O LYS A 90 -5.033 2.474 -6.960 1.00 0.00 O ATOM 1295 CB LYS A 90 -7.039 3.286 -8.884 1.00 0.00 C ATOM 1296 CG LYS A 90 -7.579 3.829 -10.217 1.00 0.00 C ATOM 1297 CD LYS A 90 -6.796 5.065 -10.687 1.00 0.00 C ATOM 1298 CE LYS A 90 -5.529 4.764 -11.490 1.00 0.00 C ATOM 1299 NZ LYS A 90 -5.825 4.412 -12.894 1.00 0.00 N ATOM 0 H LYS A 90 -7.888 1.082 -8.130 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.960 1.878 -10.041 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.882 3.100 -8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.429 4.059 -8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.520 3.050 -10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.632 4.086 -10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.455 5.683 -11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.522 5.656 -9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.872 5.633 -11.467 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.989 3.943 -11.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.936 4.217 -13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.431 3.567 -12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.317 5.204 -13.354 1.00 0.00 H new ATOM 1313 N THR A 91 -3.818 1.650 -8.645 1.00 0.00 N ATOM 1314 CA THR A 91 -2.572 1.740 -7.911 1.00 0.00 C ATOM 1315 C THR A 91 -2.235 3.232 -7.852 1.00 0.00 C ATOM 1316 O THR A 91 -2.370 3.935 -8.861 1.00 0.00 O ATOM 1317 CB THR A 91 -1.505 0.859 -8.579 1.00 0.00 C ATOM 1318 OG1 THR A 91 -1.247 1.289 -9.900 1.00 0.00 O ATOM 1319 CG2 THR A 91 -1.925 -0.616 -8.639 1.00 0.00 C ATOM 0 H THR A 91 -3.737 1.226 -9.569 1.00 0.00 H new ATOM 0 HA THR A 91 -2.634 1.357 -6.892 1.00 0.00 H new ATOM 0 HB THR A 91 -0.610 0.954 -7.964 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.564 0.714 -10.304 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.139 -1.199 -9.119 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.087 -0.990 -7.628 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.847 -0.709 -9.212 1.00 0.00 H new ATOM 1327 N LEU A 92 -1.862 3.751 -6.685 1.00 0.00 N ATOM 1328 CA LEU A 92 -1.486 5.161 -6.580 1.00 0.00 C ATOM 1329 C LEU A 92 0.003 5.263 -6.890 1.00 0.00 C ATOM 1330 O LEU A 92 0.739 4.283 -6.725 1.00 0.00 O ATOM 1331 CB LEU A 92 -1.835 5.745 -5.198 1.00 0.00 C ATOM 1332 CG LEU A 92 -3.343 5.774 -4.863 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -3.539 6.302 -3.442 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -4.202 6.624 -5.801 1.00 0.00 C ATOM 0 H LEU A 92 -1.812 3.228 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.053 5.756 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.320 5.163 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.446 6.762 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.677 4.743 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.603 6.323 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.023 5.650 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.131 7.310 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.243 6.579 -5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.858 7.658 -5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.118 6.242 -6.818 1.00 0.00 H new ATOM 1346 N SER A 93 0.470 6.426 -7.340 1.00 0.00 N ATOM 1347 CA SER A 93 1.884 6.758 -7.193 1.00 0.00 C ATOM 1348 C SER A 93 2.041 7.459 -5.845 1.00 0.00 C ATOM 1349 O SER A 93 1.125 8.151 -5.380 1.00 0.00 O ATOM 1350 CB SER A 93 2.420 7.663 -8.315 1.00 0.00 C ATOM 1351 OG SER A 93 1.710 7.545 -9.536 1.00 0.00 O ATOM 0 H SER A 93 -0.096 7.140 -7.799 1.00 0.00 H new ATOM 0 HA SER A 93 2.465 5.837 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.381 8.700 -7.982 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.469 7.424 -8.491 1.00 0.00 H new ATOM 0 HG SER A 93 2.102 8.148 -10.202 1.00 0.00 H new ATOM 1357 N LEU A 94 3.217 7.336 -5.245 1.00 0.00 N ATOM 1358 CA LEU A 94 3.611 8.112 -4.086 1.00 0.00 C ATOM 1359 C LEU A 94 5.120 8.249 -4.194 1.00 0.00 C ATOM 1360 O LEU A 94 5.816 7.234 -4.146 1.00 0.00 O ATOM 1361 CB LEU A 94 3.172 7.390 -2.804 1.00 0.00 C ATOM 1362 CG LEU A 94 3.065 8.340 -1.601 1.00 0.00 C ATOM 1363 CD1 LEU A 94 2.533 7.526 -0.426 1.00 0.00 C ATOM 1364 CD2 LEU A 94 4.384 9.018 -1.232 1.00 0.00 C ATOM 0 H LEU A 94 3.934 6.682 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 94 3.143 9.096 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.207 6.912 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.885 6.598 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 94 2.392 9.156 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.443 8.168 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.554 7.118 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.221 6.709 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.229 9.673 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.125 8.259 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.740 9.606 -2.078 1.00 0.00 H new ATOM 1376 N LYS A 95 5.608 9.468 -4.431 1.00 0.00 N ATOM 1377 CA LYS A 95 7.025 9.760 -4.599 1.00 0.00 C ATOM 1378 C LYS A 95 7.442 10.751 -3.527 1.00 0.00 C ATOM 1379 O LYS A 95 6.719 11.711 -3.269 1.00 0.00 O ATOM 1380 CB LYS A 95 7.250 10.306 -6.018 1.00 0.00 C ATOM 1381 CG LYS A 95 8.735 10.522 -6.361 1.00 0.00 C ATOM 1382 CD LYS A 95 8.977 11.387 -7.609 1.00 0.00 C ATOM 1383 CE LYS A 95 8.165 10.939 -8.830 1.00 0.00 C ATOM 1384 NZ LYS A 95 6.972 11.776 -9.101 1.00 0.00 N ATOM 0 H LYS A 95 5.014 10.293 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 95 7.637 8.865 -4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.815 9.614 -6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.719 11.252 -6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.229 10.989 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.206 9.551 -6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.728 12.423 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 95 10.038 11.362 -7.859 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.811 10.951 -9.708 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.846 9.907 -8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.254 11.208 -9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.581 12.124 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.243 12.584 -9.697 1.00 0.00 H new ATOM 1398 N ILE A 96 8.626 10.580 -2.953 1.00 0.00 N ATOM 1399 CA ILE A 96 9.261 11.594 -2.119 1.00 0.00 C ATOM 1400 C ILE A 96 10.666 11.762 -2.678 1.00 0.00 C ATOM 1401 O ILE A 96 11.361 10.759 -2.850 1.00 0.00 O ATOM 1402 CB ILE A 96 9.290 11.178 -0.632 1.00 0.00 C ATOM 1403 CG1 ILE A 96 7.912 10.757 -0.075 1.00 0.00 C ATOM 1404 CG2 ILE A 96 9.833 12.327 0.227 1.00 0.00 C ATOM 1405 CD1 ILE A 96 7.839 9.241 0.094 1.00 0.00 C ATOM 0 H ILE A 96 9.177 9.728 -3.053 1.00 0.00 H new ATOM 0 HA ILE A 96 8.705 12.531 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 96 9.941 10.305 -0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.738 11.244 0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.124 11.091 -0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 96 9.849 12.023 1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.845 12.575 -0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.192 13.201 0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.861 8.965 0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.990 8.759 -0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.614 8.914 0.788 1.00 0.00 H new ATOM 1417 N VAL A 97 11.079 12.994 -2.964 1.00 0.00 N ATOM 1418 CA VAL A 97 12.458 13.344 -3.282 1.00 0.00 C ATOM 1419 C VAL A 97 12.946 14.139 -2.079 1.00 0.00 C ATOM 1420 O VAL A 97 12.662 15.331 -1.978 1.00 0.00 O ATOM 1421 CB VAL A 97 12.509 14.148 -4.596 1.00 0.00 C ATOM 1422 CG1 VAL A 97 13.892 14.736 -4.929 1.00 0.00 C ATOM 1423 CG2 VAL A 97 12.098 13.277 -5.787 1.00 0.00 C ATOM 0 H VAL A 97 10.448 13.795 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 97 13.097 12.477 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 97 11.815 14.972 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.837 15.285 -5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.202 15.411 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.618 13.928 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.142 13.868 -6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.778 12.429 -5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.081 12.914 -5.638 1.00 0.00 H new ATOM 1433 N GLN A 98 13.632 13.472 -1.153 1.00 0.00 N ATOM 1434 CA GLN A 98 14.207 14.113 0.021 1.00 0.00 C ATOM 1435 C GLN A 98 15.739 14.139 -0.137 1.00 0.00 C ATOM 1436 O GLN A 98 16.243 13.448 -1.032 1.00 0.00 O ATOM 1437 CB GLN A 98 13.667 13.377 1.263 1.00 0.00 C ATOM 1438 CG GLN A 98 14.316 12.030 1.608 1.00 0.00 C ATOM 1439 CD GLN A 98 15.312 12.131 2.762 1.00 0.00 C ATOM 1440 OE1 GLN A 98 15.830 13.189 3.099 1.00 0.00 O ATOM 1441 NE2 GLN A 98 15.624 11.017 3.383 1.00 0.00 N ATOM 0 H GLN A 98 13.804 12.468 -1.199 1.00 0.00 H new ATOM 0 HA GLN A 98 13.918 15.157 0.141 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.777 14.037 2.123 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.599 13.213 1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.537 11.313 1.868 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.826 11.641 0.727 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.191 10.137 3.101 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.299 11.031 4.148 1.00 0.00 H new ATOM 1450 N PRO A 99 16.477 14.934 0.658 1.00 0.00 N ATOM 1451 CA PRO A 99 17.925 14.839 0.876 1.00 0.00 C ATOM 1452 C PRO A 99 18.366 13.452 1.364 1.00 0.00 C ATOM 1453 O PRO A 99 17.740 12.423 1.080 1.00 0.00 O ATOM 1454 CB PRO A 99 18.295 16.023 1.788 1.00 0.00 C ATOM 1455 CG PRO A 99 17.006 16.324 2.536 1.00 0.00 C ATOM 1456 CD PRO A 99 15.936 15.998 1.501 1.00 0.00 C ATOM 0 HA PRO A 99 18.486 14.924 -0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.103 15.763 2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.632 16.883 1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.904 15.710 3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 99 16.957 17.365 2.856 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.014 15.677 1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.693 16.878 0.905 1.00 0.00 H new ATOM 1464 N GLY A 100 19.565 13.350 1.933 1.00 0.00 N ATOM 1465 CA GLY A 100 19.710 12.354 2.971 1.00 0.00 C ATOM 1466 C GLY A 100 20.125 12.951 4.299 1.00 0.00 C ATOM 1467 O GLY A 100 20.521 14.115 4.386 1.00 0.00 O ATOM 0 H GLY A 100 20.392 13.904 1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.766 11.824 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.451 11.617 2.661 1.00 0.00 H new ATOM 1471 N LYS A 101 20.045 12.113 5.328 1.00 0.00 N ATOM 1472 CA LYS A 101 20.148 12.498 6.726 1.00 0.00 C ATOM 1473 C LYS A 101 21.525 12.131 7.300 1.00 0.00 C ATOM 1474 O LYS A 101 22.201 11.246 6.775 1.00 0.00 O ATOM 1475 CB LYS A 101 19.009 11.765 7.453 1.00 0.00 C ATOM 1476 CG LYS A 101 18.725 12.319 8.857 1.00 0.00 C ATOM 1477 CD LYS A 101 18.557 11.230 9.910 1.00 0.00 C ATOM 1478 CE LYS A 101 17.157 10.626 9.916 1.00 0.00 C ATOM 1479 NZ LYS A 101 16.857 9.990 11.216 1.00 0.00 N ATOM 0 H LYS A 101 19.901 11.111 5.203 1.00 0.00 H new ATOM 0 HA LYS A 101 20.055 13.577 6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 101 18.102 11.834 6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 101 19.260 10.707 7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 101 19.541 12.978 9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 101 17.821 12.927 8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 101 19.287 10.441 9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 101 18.773 11.646 10.894 1.00 0.00 H new ATOM 0 HE2 LYS A 101 16.421 11.403 9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.073 9.888 9.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.898 9.587 11.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.546 9.233 11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.915 10.702 11.972 1.00 0.00 H new