USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 13 HIS : no HD1:sc= 0 X(o=0,f=0.31) USER MOD Set 1.2: A 23 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 THR OG1 : rot -128:sc= 0.692 USER MOD Set 2.2: A 20 SER OG : rot -175:sc= 1.11 USER MOD Single : A 12 CYS SG : rot 60:sc= -4.59! USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.021) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.201 USER MOD Single : A 30 SER OG : rot 180:sc= -0.158 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.285 F(o=-1.6,f=-0.29) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -111:sc= -1.41 (180deg=-3.53!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.266 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= 0.201 K(o=0.2,f=-0.82) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc=-0.00947 X(o=-0.0095,f=-0.16) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -30:sc= -1.12 USER MOD Single : A 86 LYS NZ :NH3+ -179:sc= 0.333 (180deg=0.333) USER MOD Single : A 93 ASN : amide:sc=-0.00852 X(o=-0.0085,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ILE A 10 -5.331 -15.066 -2.561 1.00 0.00 N ATOM 97 CA ILE A 10 -4.007 -14.482 -2.428 1.00 0.00 C ATOM 98 C ILE A 10 -4.076 -13.285 -1.477 1.00 0.00 C ATOM 99 O ILE A 10 -5.163 -12.850 -1.099 1.00 0.00 O ATOM 100 CB ILE A 10 -3.430 -14.142 -3.803 1.00 0.00 C ATOM 101 CG1 ILE A 10 -1.932 -14.446 -3.860 1.00 0.00 C ATOM 102 CG2 ILE A 10 -3.735 -12.691 -4.182 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.560 -15.125 -5.180 1.00 0.00 C ATOM 0 HA ILE A 10 -3.316 -15.201 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.916 -14.778 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.365 -13.521 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.656 -15.090 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.314 -12.475 -5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.814 -12.541 -4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.294 -12.022 -3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.490 -15.330 -5.195 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.110 -16.061 -5.275 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.815 -14.468 -6.012 1.00 0.00 H new ATOM 115 N PHE A 11 -2.902 -12.788 -1.117 1.00 0.00 N ATOM 116 CA PHE A 11 -2.816 -11.650 -0.217 1.00 0.00 C ATOM 117 C PHE A 11 -2.085 -10.481 -0.880 1.00 0.00 C ATOM 118 O PHE A 11 -1.233 -10.686 -1.743 1.00 0.00 O ATOM 119 CB PHE A 11 -2.018 -12.107 1.006 1.00 0.00 C ATOM 120 CG PHE A 11 -2.874 -12.725 2.113 1.00 0.00 C ATOM 121 CD1 PHE A 11 -3.594 -11.923 2.943 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.916 -14.075 2.267 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.390 -12.497 3.970 1.00 0.00 C ATOM 124 CE2 PHE A 11 -3.711 -14.649 3.294 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.431 -13.847 4.124 1.00 0.00 C ATOM 0 H PHE A 11 -2.003 -13.152 -1.432 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.817 -11.312 0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.272 -12.835 0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.477 -11.253 1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.560 -10.850 2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.344 -14.711 1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.963 -11.861 4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.744 -15.722 3.416 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.035 -14.283 4.906 1.00 0.00 H new ATOM 135 N CYS A 12 -2.446 -9.280 -0.452 1.00 0.00 N ATOM 136 CA CYS A 12 -1.835 -8.078 -0.994 1.00 0.00 C ATOM 137 C CYS A 12 -1.119 -7.348 0.145 1.00 0.00 C ATOM 138 O CYS A 12 -1.747 -6.624 0.915 1.00 0.00 O ATOM 139 CB CYS A 12 -2.865 -7.183 -1.686 1.00 0.00 C ATOM 140 SG CYS A 12 -2.066 -5.643 -2.268 1.00 0.00 S ATOM 0 H CYS A 12 -3.154 -9.114 0.264 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.111 -8.349 -1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.311 -7.712 -2.528 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.674 -6.944 -0.995 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.119 -5.936 -3.109 1.00 0.00 H new ATOM 146 N HIS A 13 0.187 -7.565 0.215 1.00 0.00 N ATOM 147 CA HIS A 13 0.995 -6.937 1.246 1.00 0.00 C ATOM 148 C HIS A 13 1.178 -5.453 0.922 1.00 0.00 C ATOM 149 O HIS A 13 1.873 -5.104 -0.032 1.00 0.00 O ATOM 150 CB HIS A 13 2.324 -7.675 1.419 1.00 0.00 C ATOM 151 CG HIS A 13 2.185 -9.067 1.987 1.00 0.00 C ATOM 152 ND1 HIS A 13 2.628 -10.196 1.321 1.00 0.00 N ATOM 153 CD2 HIS A 13 1.648 -9.500 3.164 1.00 0.00 C ATOM 154 CE1 HIS A 13 2.364 -11.255 2.072 1.00 0.00 C ATOM 155 NE2 HIS A 13 1.756 -10.822 3.213 1.00 0.00 N ATOM 0 H HIS A 13 0.705 -8.167 -0.425 1.00 0.00 H new ATOM 0 HA HIS A 13 0.482 -7.003 2.206 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.822 -7.737 0.451 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.970 -7.090 2.073 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.209 -8.873 3.927 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.591 -12.281 1.824 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.437 -11.416 3.978 1.00 0.00 H new ATOM 163 N VAL A 14 0.543 -4.620 1.733 1.00 0.00 N ATOM 164 CA VAL A 14 0.628 -3.182 1.544 1.00 0.00 C ATOM 165 C VAL A 14 1.433 -2.568 2.691 1.00 0.00 C ATOM 166 O VAL A 14 0.901 -2.347 3.778 1.00 0.00 O ATOM 167 CB VAL A 14 -0.777 -2.588 1.414 1.00 0.00 C ATOM 168 CG1 VAL A 14 -0.844 -1.197 2.048 1.00 0.00 C ATOM 169 CG2 VAL A 14 -1.221 -2.546 -0.049 1.00 0.00 C ATOM 0 H VAL A 14 -0.032 -4.913 2.522 1.00 0.00 H new ATOM 0 HA VAL A 14 1.153 -2.948 0.618 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.467 -3.236 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.852 -0.797 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.590 -1.267 3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.137 -0.535 1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.222 -2.120 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.527 -1.931 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.230 -3.557 -0.456 1.00 0.00 H new ATOM 179 N TYR A 15 2.701 -2.310 2.409 1.00 0.00 N ATOM 180 CA TYR A 15 3.585 -1.726 3.404 1.00 0.00 C ATOM 181 C TYR A 15 3.349 -0.219 3.529 1.00 0.00 C ATOM 182 O TYR A 15 3.673 0.541 2.618 1.00 0.00 O ATOM 183 CB TYR A 15 5.008 -1.967 2.897 1.00 0.00 C ATOM 184 CG TYR A 15 5.560 -3.355 3.229 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.760 -4.470 3.077 1.00 0.00 C ATOM 186 CD2 TYR A 15 6.857 -3.493 3.679 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.279 -5.776 3.388 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.376 -4.799 3.991 1.00 0.00 C ATOM 189 CZ TYR A 15 6.562 -5.876 3.830 1.00 0.00 C ATOM 190 OH TYR A 15 7.052 -7.110 4.125 1.00 0.00 O ATOM 0 H TYR A 15 3.138 -2.494 1.506 1.00 0.00 H new ATOM 0 HA TYR A 15 3.409 -2.172 4.383 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.026 -1.829 1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.668 -1.213 3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.745 -4.362 2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.483 -2.621 3.797 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.664 -6.656 3.273 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.389 -4.921 4.345 1.00 0.00 H new ATOM 0 HH TYR A 15 7.981 -7.029 4.428 1.00 0.00 H new ATOM 200 N ILE A 16 2.787 0.167 4.665 1.00 0.00 N ATOM 201 CA ILE A 16 2.505 1.569 4.921 1.00 0.00 C ATOM 202 C ILE A 16 3.823 2.334 5.059 1.00 0.00 C ATOM 203 O ILE A 16 4.068 3.292 4.329 1.00 0.00 O ATOM 204 CB ILE A 16 1.579 1.717 6.130 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.402 0.743 6.042 1.00 0.00 C ATOM 206 CG2 ILE A 16 1.113 3.165 6.291 1.00 0.00 C ATOM 207 CD1 ILE A 16 0.136 0.080 7.396 1.00 0.00 C ATOM 0 H ILE A 16 2.519 -0.467 5.418 1.00 0.00 H new ATOM 0 HA ILE A 16 1.968 2.009 4.081 1.00 0.00 H new ATOM 0 HB ILE A 16 2.144 1.460 7.026 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.491 1.274 5.712 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.613 -0.021 5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.456 3.242 7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.979 3.812 6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.572 3.475 5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.705 -0.607 7.306 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.022 -0.471 7.712 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.099 0.845 8.136 1.00 0.00 H new ATOM 219 N THR A 17 4.637 1.881 6.002 1.00 0.00 N ATOM 220 CA THR A 17 5.924 2.510 6.245 1.00 0.00 C ATOM 221 C THR A 17 7.060 1.522 5.977 1.00 0.00 C ATOM 222 O THR A 17 7.036 0.797 4.983 1.00 0.00 O ATOM 223 CB THR A 17 5.919 3.059 7.673 1.00 0.00 C ATOM 224 OG1 THR A 17 6.143 1.911 8.486 1.00 0.00 O ATOM 225 CG2 THR A 17 4.539 3.558 8.104 1.00 0.00 C ATOM 0 H THR A 17 4.430 1.086 6.607 1.00 0.00 H new ATOM 0 HA THR A 17 6.093 3.342 5.562 1.00 0.00 H new ATOM 0 HB THR A 17 6.639 3.873 7.752 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.453 1.863 9.181 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.592 3.937 9.125 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.216 4.357 7.437 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.824 2.736 8.058 1.00 0.00 H new ATOM 233 N GLU A 18 8.028 1.524 6.881 1.00 0.00 N ATOM 234 CA GLU A 18 9.172 0.636 6.755 1.00 0.00 C ATOM 235 C GLU A 18 8.951 -0.634 7.580 1.00 0.00 C ATOM 236 O GLU A 18 9.426 -1.708 7.212 1.00 0.00 O ATOM 237 CB GLU A 18 10.463 1.342 7.171 1.00 0.00 C ATOM 238 CG GLU A 18 11.692 0.572 6.683 1.00 0.00 C ATOM 239 CD GLU A 18 12.786 1.530 6.207 1.00 0.00 C ATOM 240 OE1 GLU A 18 12.654 2.019 5.065 1.00 0.00 O ATOM 241 OE2 GLU A 18 13.730 1.750 6.996 1.00 0.00 O ATOM 0 H GLU A 18 8.044 2.126 7.704 1.00 0.00 H new ATOM 0 HA GLU A 18 9.274 0.353 5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.477 2.352 6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.496 1.437 8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.077 -0.054 7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.408 -0.095 5.869 1.00 0.00 H new ATOM 248 N HIS A 19 8.230 -0.470 8.679 1.00 0.00 N ATOM 249 CA HIS A 19 7.941 -1.589 9.559 1.00 0.00 C ATOM 250 C HIS A 19 6.431 -1.690 9.782 1.00 0.00 C ATOM 251 O HIS A 19 5.984 -2.092 10.855 1.00 0.00 O ATOM 252 CB HIS A 19 8.727 -1.471 10.866 1.00 0.00 C ATOM 253 CG HIS A 19 10.171 -1.068 10.680 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.195 -1.990 10.552 1.00 0.00 N ATOM 255 CD2 HIS A 19 10.749 0.165 10.602 1.00 0.00 C ATOM 256 CE1 HIS A 19 12.335 -1.330 10.404 1.00 0.00 C ATOM 257 NE2 HIS A 19 12.056 0.005 10.436 1.00 0.00 N ATOM 0 H HIS A 19 7.837 0.422 8.980 1.00 0.00 H new ATOM 0 HA HIS A 19 8.267 -2.518 9.090 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.236 -0.740 11.508 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.692 -2.428 11.387 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.231 1.111 10.665 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.313 -1.772 10.280 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.740 0.757 10.347 1.00 0.00 H new ATOM 265 N SER A 20 5.686 -1.317 8.751 1.00 0.00 N ATOM 266 CA SER A 20 4.236 -1.360 8.822 1.00 0.00 C ATOM 267 C SER A 20 3.663 -1.879 7.501 1.00 0.00 C ATOM 268 O SER A 20 4.124 -1.496 6.427 1.00 0.00 O ATOM 269 CB SER A 20 3.659 0.020 9.143 1.00 0.00 C ATOM 270 OG SER A 20 4.459 0.726 10.088 1.00 0.00 O ATOM 0 H SER A 20 6.060 -0.984 7.862 1.00 0.00 H new ATOM 0 HA SER A 20 3.953 -2.039 9.626 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.582 0.603 8.225 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.648 -0.092 9.535 1.00 0.00 H new ATOM 0 HG SER A 20 4.018 1.568 10.326 1.00 0.00 H new ATOM 276 N TYR A 21 2.667 -2.744 7.625 1.00 0.00 N ATOM 277 CA TYR A 21 2.026 -3.320 6.455 1.00 0.00 C ATOM 278 C TYR A 21 0.645 -3.876 6.804 1.00 0.00 C ATOM 279 O TYR A 21 0.236 -3.851 7.964 1.00 0.00 O ATOM 280 CB TYR A 21 2.928 -4.471 6.005 1.00 0.00 C ATOM 281 CG TYR A 21 2.651 -5.795 6.720 1.00 0.00 C ATOM 282 CD1 TYR A 21 3.070 -5.976 8.023 1.00 0.00 C ATOM 283 CD2 TYR A 21 1.982 -6.807 6.064 1.00 0.00 C ATOM 284 CE1 TYR A 21 2.810 -7.222 8.696 1.00 0.00 C ATOM 285 CE2 TYR A 21 1.721 -8.053 6.737 1.00 0.00 C ATOM 286 CZ TYR A 21 2.148 -8.199 8.020 1.00 0.00 C ATOM 287 OH TYR A 21 1.902 -9.375 8.657 1.00 0.00 O ATOM 0 H TYR A 21 2.288 -3.060 8.518 1.00 0.00 H new ATOM 0 HA TYR A 21 1.892 -2.566 5.680 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.805 -4.617 4.932 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.968 -4.191 6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.593 -5.183 8.537 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.654 -6.665 5.045 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.133 -7.377 9.715 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.198 -8.853 6.234 1.00 0.00 H new ATOM 0 HH TYR A 21 1.421 -9.979 8.054 1.00 0.00 H new ATOM 297 N VAL A 22 -0.037 -4.366 5.779 1.00 0.00 N ATOM 298 CA VAL A 22 -1.364 -4.928 5.963 1.00 0.00 C ATOM 299 C VAL A 22 -1.567 -6.081 4.978 1.00 0.00 C ATOM 300 O VAL A 22 -1.297 -5.939 3.786 1.00 0.00 O ATOM 301 CB VAL A 22 -2.421 -3.830 5.824 1.00 0.00 C ATOM 302 CG1 VAL A 22 -2.182 -2.996 4.564 1.00 0.00 C ATOM 303 CG2 VAL A 22 -3.832 -4.424 5.828 1.00 0.00 C ATOM 0 H VAL A 22 0.305 -4.385 4.818 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.469 -5.337 6.968 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.333 -3.169 6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.947 -2.223 4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.198 -2.529 4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.230 -3.641 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.564 -3.623 5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.937 -5.118 4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.001 -4.955 6.765 1.00 0.00 H new ATOM 313 N SER A 23 -2.039 -7.198 5.512 1.00 0.00 N ATOM 314 CA SER A 23 -2.281 -8.375 4.695 1.00 0.00 C ATOM 315 C SER A 23 -3.735 -8.393 4.220 1.00 0.00 C ATOM 316 O SER A 23 -4.609 -8.922 4.905 1.00 0.00 O ATOM 317 CB SER A 23 -1.958 -9.656 5.466 1.00 0.00 C ATOM 318 OG SER A 23 -0.779 -10.290 4.977 1.00 0.00 O ATOM 0 H SER A 23 -2.260 -7.313 6.501 1.00 0.00 H new ATOM 0 HA SER A 23 -1.623 -8.330 3.827 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.832 -9.421 6.523 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.798 -10.346 5.391 1.00 0.00 H new ATOM 0 HG SER A 23 -0.606 -11.103 5.496 1.00 0.00 H new ATOM 324 N VAL A 24 -3.950 -7.808 3.051 1.00 0.00 N ATOM 325 CA VAL A 24 -5.283 -7.751 2.477 1.00 0.00 C ATOM 326 C VAL A 24 -5.486 -8.949 1.547 1.00 0.00 C ATOM 327 O VAL A 24 -4.645 -9.224 0.691 1.00 0.00 O ATOM 328 CB VAL A 24 -5.494 -6.407 1.775 1.00 0.00 C ATOM 329 CG1 VAL A 24 -6.879 -6.337 1.129 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.281 -5.243 2.745 1.00 0.00 C ATOM 0 H VAL A 24 -3.223 -7.369 2.486 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.038 -7.816 3.260 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.751 -6.323 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.003 -5.372 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.978 -7.135 0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.645 -6.454 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.437 -4.300 2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.990 -5.322 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.264 -5.277 3.136 1.00 0.00 H new ATOM 340 N LYS A 25 -6.605 -9.629 1.746 1.00 0.00 N ATOM 341 CA LYS A 25 -6.928 -10.791 0.935 1.00 0.00 C ATOM 342 C LYS A 25 -7.327 -10.334 -0.469 1.00 0.00 C ATOM 343 O LYS A 25 -8.466 -9.928 -0.693 1.00 0.00 O ATOM 344 CB LYS A 25 -7.990 -11.648 1.628 1.00 0.00 C ATOM 345 CG LYS A 25 -7.879 -13.112 1.197 1.00 0.00 C ATOM 346 CD LYS A 25 -8.405 -14.046 2.288 1.00 0.00 C ATOM 347 CE LYS A 25 -7.786 -15.440 2.162 1.00 0.00 C ATOM 348 NZ LYS A 25 -8.837 -16.481 2.222 1.00 0.00 N ATOM 0 H LYS A 25 -7.299 -9.398 2.457 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.054 -11.433 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.874 -11.574 2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.983 -11.268 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.443 -13.268 0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.839 -13.352 0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.176 -13.630 3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.490 -14.118 2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.241 -15.519 1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.064 -15.597 2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.400 -17.421 2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.339 -16.415 3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.511 -16.339 1.443 1.00 0.00 H new ATOM 362 N ALA A 26 -6.367 -10.415 -1.378 1.00 0.00 N ATOM 363 CA ALA A 26 -6.603 -10.014 -2.754 1.00 0.00 C ATOM 364 C ALA A 26 -6.830 -11.260 -3.612 1.00 0.00 C ATOM 365 O ALA A 26 -6.777 -12.382 -3.110 1.00 0.00 O ATOM 366 CB ALA A 26 -5.427 -9.170 -3.250 1.00 0.00 C ATOM 0 H ALA A 26 -5.423 -10.753 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.499 -9.397 -2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.605 -8.869 -4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.328 -8.282 -2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.510 -9.756 -3.196 1.00 0.00 H new ATOM 372 N LYS A 27 -7.077 -11.022 -4.892 1.00 0.00 N ATOM 373 CA LYS A 27 -7.311 -12.111 -5.824 1.00 0.00 C ATOM 374 C LYS A 27 -6.221 -12.101 -6.898 1.00 0.00 C ATOM 375 O LYS A 27 -5.354 -11.229 -6.899 1.00 0.00 O ATOM 376 CB LYS A 27 -8.731 -12.037 -6.389 1.00 0.00 C ATOM 377 CG LYS A 27 -9.757 -11.846 -5.270 1.00 0.00 C ATOM 378 CD LYS A 27 -10.328 -13.191 -4.814 1.00 0.00 C ATOM 379 CE LYS A 27 -10.915 -13.087 -3.405 1.00 0.00 C ATOM 380 NZ LYS A 27 -12.364 -13.390 -3.423 1.00 0.00 N ATOM 0 H LYS A 27 -7.120 -10.090 -5.305 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.246 -13.071 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.802 -11.211 -7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.955 -12.950 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.289 -11.340 -4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.565 -11.203 -5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.100 -13.517 -5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.544 -13.948 -4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.401 -13.780 -2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.752 -12.084 -3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.746 -13.315 -2.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.853 -12.713 -4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.512 -14.356 -3.780 1.00 0.00 H new ATOM 394 N VAL A 28 -6.302 -13.081 -7.787 1.00 0.00 N ATOM 395 CA VAL A 28 -5.333 -13.196 -8.864 1.00 0.00 C ATOM 396 C VAL A 28 -5.730 -12.255 -10.003 1.00 0.00 C ATOM 397 O VAL A 28 -5.095 -12.249 -11.057 1.00 0.00 O ATOM 398 CB VAL A 28 -5.214 -14.655 -9.307 1.00 0.00 C ATOM 399 CG1 VAL A 28 -6.377 -15.047 -10.221 1.00 0.00 C ATOM 400 CG2 VAL A 28 -3.870 -14.913 -9.990 1.00 0.00 C ATOM 0 H VAL A 28 -7.023 -13.802 -7.783 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.343 -12.893 -8.522 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.262 -15.280 -8.416 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.268 -16.089 -10.522 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.319 -14.920 -9.687 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.374 -14.412 -11.107 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.812 -15.958 -10.295 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.779 -14.273 -10.868 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.060 -14.692 -9.295 1.00 0.00 H new ATOM 410 N SER A 29 -6.777 -11.483 -9.753 1.00 0.00 N ATOM 411 CA SER A 29 -7.265 -10.541 -10.745 1.00 0.00 C ATOM 412 C SER A 29 -7.924 -9.346 -10.052 1.00 0.00 C ATOM 413 O SER A 29 -8.777 -8.678 -10.634 1.00 0.00 O ATOM 414 CB SER A 29 -8.255 -11.210 -11.701 1.00 0.00 C ATOM 415 OG SER A 29 -7.963 -12.592 -11.889 1.00 0.00 O ATOM 0 H SER A 29 -7.301 -11.491 -8.878 1.00 0.00 H new ATOM 0 HA SER A 29 -6.415 -10.191 -11.331 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.266 -11.103 -11.309 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.231 -10.700 -12.664 1.00 0.00 H new ATOM 0 HG SER A 29 -8.618 -12.984 -12.504 1.00 0.00 H new ATOM 421 N SER A 30 -7.502 -9.113 -8.817 1.00 0.00 N ATOM 422 CA SER A 30 -8.040 -8.010 -8.038 1.00 0.00 C ATOM 423 C SER A 30 -7.241 -6.735 -8.315 1.00 0.00 C ATOM 424 O SER A 30 -6.043 -6.796 -8.586 1.00 0.00 O ATOM 425 CB SER A 30 -8.024 -8.333 -6.543 1.00 0.00 C ATOM 426 OG SER A 30 -8.704 -7.343 -5.776 1.00 0.00 O ATOM 0 H SER A 30 -6.794 -9.669 -8.337 1.00 0.00 H new ATOM 0 HA SER A 30 -9.076 -7.853 -8.337 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.490 -9.304 -6.377 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.992 -8.412 -6.200 1.00 0.00 H new ATOM 0 HG SER A 30 -8.673 -7.586 -4.827 1.00 0.00 H new ATOM 432 N ILE A 31 -7.937 -5.610 -8.238 1.00 0.00 N ATOM 433 CA ILE A 31 -7.308 -4.323 -8.477 1.00 0.00 C ATOM 434 C ILE A 31 -6.742 -3.785 -7.161 1.00 0.00 C ATOM 435 O ILE A 31 -7.011 -4.334 -6.094 1.00 0.00 O ATOM 436 CB ILE A 31 -8.286 -3.367 -9.162 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.615 -3.307 -8.406 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.479 -3.742 -10.633 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.475 -2.142 -8.900 1.00 0.00 C ATOM 0 H ILE A 31 -8.931 -5.564 -8.013 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.470 -4.431 -9.165 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.858 -2.365 -9.139 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.155 -4.244 -8.538 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.425 -3.197 -7.338 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.179 -3.047 -11.097 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.521 -3.691 -11.150 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.875 -4.755 -10.701 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.414 -2.122 -8.346 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.942 -1.204 -8.744 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.683 -2.268 -9.962 1.00 0.00 H new ATOM 451 N ALA A 32 -5.967 -2.716 -7.280 1.00 0.00 N ATOM 452 CA ALA A 32 -5.361 -2.098 -6.114 1.00 0.00 C ATOM 453 C ALA A 32 -6.458 -1.493 -5.235 1.00 0.00 C ATOM 454 O ALA A 32 -6.426 -1.631 -4.013 1.00 0.00 O ATOM 455 CB ALA A 32 -4.334 -1.057 -6.563 1.00 0.00 C ATOM 0 H ALA A 32 -5.745 -2.263 -8.167 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.832 -2.841 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.879 -0.593 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.561 -1.542 -7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.829 -0.293 -7.163 1.00 0.00 H new ATOM 461 N GLN A 33 -7.402 -0.835 -5.891 1.00 0.00 N ATOM 462 CA GLN A 33 -8.506 -0.208 -5.185 1.00 0.00 C ATOM 463 C GLN A 33 -9.128 -1.192 -4.192 1.00 0.00 C ATOM 464 O GLN A 33 -9.505 -0.808 -3.086 1.00 0.00 O ATOM 465 CB GLN A 33 -9.556 0.318 -6.165 1.00 0.00 C ATOM 466 CG GLN A 33 -10.811 0.786 -5.426 1.00 0.00 C ATOM 467 CD GLN A 33 -10.737 2.281 -5.111 1.00 0.00 C ATOM 468 OE1 GLN A 33 -9.847 2.592 -4.173 1.00 0.00 O flip ATOM 469 NE2 GLN A 33 -11.440 3.098 -5.682 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.425 -0.722 -6.904 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.118 0.644 -4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.139 1.144 -6.741 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.819 -0.465 -6.876 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.692 0.582 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.924 0.221 -4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.104 2.791 -6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.364 4.088 -5.448 1.00 0.00 H new ATOM 478 N GLU A 34 -9.215 -2.442 -4.622 1.00 0.00 N ATOM 479 CA GLU A 34 -9.785 -3.484 -3.784 1.00 0.00 C ATOM 480 C GLU A 34 -8.965 -3.641 -2.502 1.00 0.00 C ATOM 481 O GLU A 34 -9.456 -4.173 -1.508 1.00 0.00 O ATOM 482 CB GLU A 34 -9.875 -4.809 -4.543 1.00 0.00 C ATOM 483 CG GLU A 34 -10.985 -4.763 -5.596 1.00 0.00 C ATOM 484 CD GLU A 34 -12.119 -5.727 -5.240 1.00 0.00 C ATOM 485 OE1 GLU A 34 -11.793 -6.840 -4.774 1.00 0.00 O ATOM 486 OE2 GLU A 34 -13.286 -5.328 -5.442 1.00 0.00 O ATOM 0 H GLU A 34 -8.900 -2.757 -5.540 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.798 -3.190 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.921 -5.022 -5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.067 -5.621 -3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.376 -3.749 -5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.576 -5.022 -6.572 1.00 0.00 H new ATOM 493 N ILE A 35 -7.728 -3.170 -2.567 1.00 0.00 N ATOM 494 CA ILE A 35 -6.835 -3.251 -1.423 1.00 0.00 C ATOM 495 C ILE A 35 -6.826 -1.907 -0.692 1.00 0.00 C ATOM 496 O ILE A 35 -6.943 -1.862 0.531 1.00 0.00 O ATOM 497 CB ILE A 35 -5.447 -3.723 -1.860 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.548 -4.932 -2.794 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.558 -4.008 -0.648 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.304 -6.081 -2.124 1.00 0.00 C ATOM 0 H ILE A 35 -7.323 -2.731 -3.394 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.192 -3.997 -0.713 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.974 -2.919 -2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.058 -4.644 -3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.548 -5.264 -3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.577 -4.342 -0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.448 -3.099 -0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.015 -4.786 -0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.361 -6.927 -2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.779 -6.383 -1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.311 -5.753 -1.867 1.00 0.00 H new ATOM 512 N LEU A 36 -6.686 -0.846 -1.473 1.00 0.00 N ATOM 513 CA LEU A 36 -6.659 0.495 -0.915 1.00 0.00 C ATOM 514 C LEU A 36 -7.923 0.722 -0.083 1.00 0.00 C ATOM 515 O LEU A 36 -7.859 1.283 1.010 1.00 0.00 O ATOM 516 CB LEU A 36 -6.458 1.532 -2.022 1.00 0.00 C ATOM 517 CG LEU A 36 -6.143 2.956 -1.558 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.701 3.064 -1.059 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.446 3.971 -2.661 1.00 0.00 C ATOM 0 H LEU A 36 -6.590 -0.888 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.809 0.611 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.647 1.193 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.360 1.561 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.793 3.193 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.504 4.086 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.554 2.383 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.016 2.800 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.214 4.975 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.839 3.747 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.502 3.916 -2.926 1.00 0.00 H new ATOM 531 N LYS A 37 -9.042 0.273 -0.631 1.00 0.00 N ATOM 532 CA LYS A 37 -10.319 0.419 0.047 1.00 0.00 C ATOM 533 C LYS A 37 -10.266 -0.314 1.389 1.00 0.00 C ATOM 534 O LYS A 37 -10.906 0.102 2.354 1.00 0.00 O ATOM 535 CB LYS A 37 -11.463 -0.040 -0.859 1.00 0.00 C ATOM 536 CG LYS A 37 -11.322 -1.522 -1.212 1.00 0.00 C ATOM 537 CD LYS A 37 -12.421 -2.351 -0.546 1.00 0.00 C ATOM 538 CE LYS A 37 -12.337 -3.818 -0.973 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.665 -4.310 -1.402 1.00 0.00 N ATOM 0 H LYS A 37 -9.091 -0.192 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.517 1.469 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.417 0.129 -0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.470 0.556 -1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.371 -1.648 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.345 -1.884 -0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.330 -2.278 0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.398 -1.947 -0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.622 -3.925 -1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.969 -4.423 -0.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.590 -5.307 -1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.338 -4.226 -0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.002 -3.743 -2.206 1.00 0.00 H new ATOM 553 N VAL A 38 -9.496 -1.392 1.408 1.00 0.00 N ATOM 554 CA VAL A 38 -9.351 -2.187 2.616 1.00 0.00 C ATOM 555 C VAL A 38 -8.293 -1.548 3.517 1.00 0.00 C ATOM 556 O VAL A 38 -8.589 -1.152 4.644 1.00 0.00 O ATOM 557 CB VAL A 38 -9.030 -3.638 2.252 1.00 0.00 C ATOM 558 CG1 VAL A 38 -9.127 -4.545 3.480 1.00 0.00 C ATOM 559 CG2 VAL A 38 -9.941 -4.136 1.129 1.00 0.00 C ATOM 0 H VAL A 38 -8.966 -1.734 0.606 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.286 -2.206 3.176 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.003 -3.673 1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.894 -5.571 3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.418 -4.210 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.138 -4.502 3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.692 -5.170 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.981 -4.079 1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.801 -3.515 0.244 1.00 0.00 H new ATOM 569 N VAL A 39 -7.081 -1.468 2.988 1.00 0.00 N ATOM 570 CA VAL A 39 -5.977 -0.884 3.731 1.00 0.00 C ATOM 571 C VAL A 39 -6.448 0.407 4.405 1.00 0.00 C ATOM 572 O VAL A 39 -6.279 0.578 5.611 1.00 0.00 O ATOM 573 CB VAL A 39 -4.778 -0.671 2.805 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.655 0.079 3.525 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.276 -2.003 2.244 1.00 0.00 C ATOM 0 H VAL A 39 -6.839 -1.798 2.054 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.646 -1.561 4.519 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.107 -0.057 1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.815 0.217 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.020 1.052 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.329 -0.497 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.423 -1.824 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.972 -2.652 3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.074 -2.483 1.678 1.00 0.00 H new ATOM 585 N ALA A 40 -7.028 1.281 3.597 1.00 0.00 N ATOM 586 CA ALA A 40 -7.524 2.551 4.100 1.00 0.00 C ATOM 587 C ALA A 40 -8.233 2.323 5.437 1.00 0.00 C ATOM 588 O ALA A 40 -7.994 3.047 6.402 1.00 0.00 O ATOM 589 CB ALA A 40 -8.441 3.191 3.056 1.00 0.00 C ATOM 0 H ALA A 40 -7.166 1.135 2.597 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.700 3.242 4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.813 4.144 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.883 3.359 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.282 2.527 2.855 1.00 0.00 H new ATOM 595 N GLU A 41 -9.091 1.313 5.451 1.00 0.00 N ATOM 596 CA GLU A 41 -9.836 0.980 6.653 1.00 0.00 C ATOM 597 C GLU A 41 -8.902 0.383 7.708 1.00 0.00 C ATOM 598 O GLU A 41 -8.989 0.727 8.885 1.00 0.00 O ATOM 599 CB GLU A 41 -10.989 0.026 6.337 1.00 0.00 C ATOM 600 CG GLU A 41 -11.712 0.445 5.056 1.00 0.00 C ATOM 601 CD GLU A 41 -13.169 0.814 5.344 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.413 1.339 6.452 1.00 0.00 O ATOM 603 OE2 GLU A 41 -14.005 0.563 4.449 1.00 0.00 O ATOM 0 H GLU A 41 -9.287 0.714 4.649 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.267 1.897 7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.606 -0.989 6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.693 0.013 7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.200 1.296 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.676 -0.368 4.331 1.00 0.00 H new ATOM 610 N LYS A 42 -8.031 -0.502 7.246 1.00 0.00 N ATOM 611 CA LYS A 42 -7.082 -1.151 8.135 1.00 0.00 C ATOM 612 C LYS A 42 -6.313 -0.086 8.919 1.00 0.00 C ATOM 613 O LYS A 42 -5.885 -0.328 10.047 1.00 0.00 O ATOM 614 CB LYS A 42 -6.181 -2.107 7.351 1.00 0.00 C ATOM 615 CG LYS A 42 -6.452 -3.561 7.743 1.00 0.00 C ATOM 616 CD LYS A 42 -7.832 -4.011 7.258 1.00 0.00 C ATOM 617 CE LYS A 42 -7.719 -4.846 5.981 1.00 0.00 C ATOM 618 NZ LYS A 42 -6.719 -5.923 6.153 1.00 0.00 N ATOM 0 H LYS A 42 -7.962 -0.785 6.268 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.605 -1.769 8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.350 -1.977 6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.135 -1.864 7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.684 -4.206 7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.391 -3.667 8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.322 -4.595 8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.458 -3.139 7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.689 -5.278 5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.434 -4.207 5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.890 -5.725 5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.426 -5.969 7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.137 -6.833 5.873 1.00 0.00 H new ATOM 632 N ILE A 43 -6.161 1.071 8.291 1.00 0.00 N ATOM 633 CA ILE A 43 -5.452 2.174 8.916 1.00 0.00 C ATOM 634 C ILE A 43 -6.460 3.233 9.368 1.00 0.00 C ATOM 635 O ILE A 43 -6.136 4.095 10.184 1.00 0.00 O ATOM 636 CB ILE A 43 -4.371 2.716 7.978 1.00 0.00 C ATOM 637 CG1 ILE A 43 -4.945 3.771 7.031 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.683 1.579 7.220 1.00 0.00 C ATOM 639 CD1 ILE A 43 -3.831 4.472 6.250 1.00 0.00 C ATOM 0 H ILE A 43 -6.517 1.268 7.356 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.927 1.832 9.808 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.609 3.207 8.583 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.641 3.301 6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.512 4.506 7.601 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.919 1.991 6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.218 0.896 7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.421 1.038 6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.267 5.217 5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.151 4.962 6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.281 3.737 5.662 1.00 0.00 H new ATOM 651 N GLN A 44 -7.661 3.133 8.818 1.00 0.00 N ATOM 652 CA GLN A 44 -8.718 4.071 9.155 1.00 0.00 C ATOM 653 C GLN A 44 -8.483 5.411 8.454 1.00 0.00 C ATOM 654 O GLN A 44 -8.420 6.453 9.104 1.00 0.00 O ATOM 655 CB GLN A 44 -8.825 4.256 10.670 1.00 0.00 C ATOM 656 CG GLN A 44 -8.816 2.906 11.389 1.00 0.00 C ATOM 657 CD GLN A 44 -9.295 3.051 12.835 1.00 0.00 C ATOM 658 OE1 GLN A 44 -10.355 2.581 13.215 1.00 0.00 O ATOM 659 NE2 GLN A 44 -8.458 3.728 13.616 1.00 0.00 N ATOM 0 H GLN A 44 -7.926 2.417 8.141 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.665 3.661 8.804 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.995 4.867 11.025 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.742 4.794 10.910 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.458 2.203 10.858 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.809 2.490 11.376 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.587 4.094 13.233 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.688 3.881 14.598 1.00 0.00 H new ATOM 668 N TYR A 45 -8.358 5.339 7.137 1.00 0.00 N ATOM 669 CA TYR A 45 -8.130 6.533 6.341 1.00 0.00 C ATOM 670 C TYR A 45 -9.088 6.589 5.149 1.00 0.00 C ATOM 671 O TYR A 45 -10.114 5.910 5.140 1.00 0.00 O ATOM 672 CB TYR A 45 -6.695 6.427 5.822 1.00 0.00 C ATOM 673 CG TYR A 45 -5.755 7.505 6.366 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.218 7.378 7.631 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.445 8.605 5.592 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.334 8.393 8.143 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.561 9.620 6.104 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.049 9.464 7.354 1.00 0.00 C ATOM 679 OH TYR A 45 -3.214 10.422 7.838 1.00 0.00 O ATOM 0 H TYR A 45 -8.410 4.473 6.601 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.293 7.429 6.939 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.297 5.447 6.083 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.708 6.486 4.734 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.461 6.518 8.237 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.865 8.705 4.602 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.907 8.306 9.131 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.310 10.486 5.509 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.100 11.126 7.166 1.00 0.00 H new ATOM 689 N ALA A 46 -8.718 7.402 4.171 1.00 0.00 N ATOM 690 CA ALA A 46 -9.531 7.555 2.976 1.00 0.00 C ATOM 691 C ALA A 46 -8.777 6.982 1.774 1.00 0.00 C ATOM 692 O ALA A 46 -7.844 7.604 1.268 1.00 0.00 O ATOM 693 CB ALA A 46 -9.892 9.030 2.789 1.00 0.00 C ATOM 0 H ALA A 46 -7.866 7.962 4.181 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.465 7.001 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.502 9.145 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.452 9.380 3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.980 9.617 2.685 1.00 0.00 H new ATOM 699 N GLU A 47 -9.208 5.802 1.353 1.00 0.00 N ATOM 700 CA GLU A 47 -8.585 5.139 0.220 1.00 0.00 C ATOM 701 C GLU A 47 -8.320 6.143 -0.903 1.00 0.00 C ATOM 702 O GLU A 47 -7.244 6.143 -1.499 1.00 0.00 O ATOM 703 CB GLU A 47 -9.447 3.976 -0.276 1.00 0.00 C ATOM 704 CG GLU A 47 -10.898 4.417 -0.482 1.00 0.00 C ATOM 705 CD GLU A 47 -11.752 3.263 -1.010 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.548 2.898 -2.188 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.591 2.772 -0.223 1.00 0.00 O ATOM 0 H GLU A 47 -9.981 5.288 1.776 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.629 4.727 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.043 3.593 -1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.410 3.159 0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.310 4.777 0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.932 5.250 -1.184 1.00 0.00 H new ATOM 714 N GLU A 48 -9.320 6.974 -1.158 1.00 0.00 N ATOM 715 CA GLU A 48 -9.208 7.981 -2.200 1.00 0.00 C ATOM 716 C GLU A 48 -8.024 8.908 -1.917 1.00 0.00 C ATOM 717 O GLU A 48 -7.349 9.359 -2.841 1.00 0.00 O ATOM 718 CB GLU A 48 -10.507 8.777 -2.335 1.00 0.00 C ATOM 719 CG GLU A 48 -11.086 9.119 -0.960 1.00 0.00 C ATOM 720 CD GLU A 48 -11.918 10.402 -1.019 1.00 0.00 C ATOM 721 OE1 GLU A 48 -12.856 10.433 -1.845 1.00 0.00 O ATOM 722 OE2 GLU A 48 -11.597 11.323 -0.237 1.00 0.00 O ATOM 0 H GLU A 48 -10.211 6.971 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.030 7.475 -3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.319 9.694 -2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.234 8.200 -2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.706 8.295 -0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.276 9.239 -0.240 1.00 0.00 H new ATOM 729 N ASP A 49 -7.808 9.166 -0.635 1.00 0.00 N ATOM 730 CA ASP A 49 -6.717 10.031 -0.219 1.00 0.00 C ATOM 731 C ASP A 49 -5.410 9.236 -0.229 1.00 0.00 C ATOM 732 O ASP A 49 -4.334 9.803 -0.041 1.00 0.00 O ATOM 733 CB ASP A 49 -6.941 10.555 1.201 1.00 0.00 C ATOM 734 CG ASP A 49 -8.206 11.396 1.387 1.00 0.00 C ATOM 735 OD1 ASP A 49 -9.105 11.267 0.529 1.00 0.00 O ATOM 736 OD2 ASP A 49 -8.244 12.150 2.384 1.00 0.00 O ATOM 0 H ASP A 49 -8.370 8.791 0.129 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.670 10.872 -0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.984 9.706 1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.078 11.154 1.492 1.00 0.00 H new ATOM 741 N LEU A 50 -5.546 7.937 -0.449 1.00 0.00 N ATOM 742 CA LEU A 50 -4.389 7.059 -0.486 1.00 0.00 C ATOM 743 C LEU A 50 -4.129 6.625 -1.930 1.00 0.00 C ATOM 744 O LEU A 50 -4.850 7.027 -2.842 1.00 0.00 O ATOM 745 CB LEU A 50 -4.572 5.891 0.485 1.00 0.00 C ATOM 746 CG LEU A 50 -4.691 6.260 1.965 1.00 0.00 C ATOM 747 CD1 LEU A 50 -4.844 5.009 2.832 1.00 0.00 C ATOM 748 CD2 LEU A 50 -3.512 7.126 2.411 1.00 0.00 C ATOM 0 H LEU A 50 -6.440 7.471 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.498 7.588 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.467 5.341 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.728 5.211 0.367 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.595 6.855 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.926 5.300 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.742 4.467 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.973 4.367 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.622 7.374 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.581 6.579 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.492 8.044 1.823 1.00 0.00 H new ATOM 760 N ALA A 51 -3.097 5.810 -2.092 1.00 0.00 N ATOM 761 CA ALA A 51 -2.733 5.316 -3.409 1.00 0.00 C ATOM 762 C ALA A 51 -1.657 4.239 -3.266 1.00 0.00 C ATOM 763 O ALA A 51 -0.762 4.357 -2.430 1.00 0.00 O ATOM 764 CB ALA A 51 -2.275 6.485 -4.284 1.00 0.00 C ATOM 0 H ALA A 51 -2.501 5.479 -1.333 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.593 4.859 -3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.002 6.115 -5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.085 7.208 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.411 6.966 -3.825 1.00 0.00 H new ATOM 770 N LEU A 52 -1.778 3.212 -4.094 1.00 0.00 N ATOM 771 CA LEU A 52 -0.827 2.114 -4.071 1.00 0.00 C ATOM 772 C LEU A 52 0.403 2.493 -4.899 1.00 0.00 C ATOM 773 O LEU A 52 0.283 2.837 -6.073 1.00 0.00 O ATOM 774 CB LEU A 52 -1.496 0.815 -4.523 1.00 0.00 C ATOM 775 CG LEU A 52 -2.731 0.384 -3.728 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.608 0.795 -2.259 1.00 0.00 C ATOM 777 CD2 LEU A 52 -4.011 0.924 -4.369 1.00 0.00 C ATOM 0 H LEU A 52 -2.521 3.117 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.483 1.930 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.781 0.922 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.759 0.014 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.792 -0.704 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.498 0.477 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.728 0.323 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.510 1.878 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.874 0.603 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.974 2.013 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.099 0.541 -5.386 1.00 0.00 H new ATOM 789 N VAL A 53 1.558 2.416 -4.254 1.00 0.00 N ATOM 790 CA VAL A 53 2.808 2.746 -4.916 1.00 0.00 C ATOM 791 C VAL A 53 3.782 1.575 -4.772 1.00 0.00 C ATOM 792 O VAL A 53 4.029 1.102 -3.664 1.00 0.00 O ATOM 793 CB VAL A 53 3.365 4.058 -4.358 1.00 0.00 C ATOM 794 CG1 VAL A 53 2.239 5.056 -4.078 1.00 0.00 C ATOM 795 CG2 VAL A 53 4.202 3.808 -3.103 1.00 0.00 C ATOM 0 H VAL A 53 1.654 2.130 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 53 2.645 2.904 -5.982 1.00 0.00 H new ATOM 0 HB VAL A 53 4.018 4.494 -5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.661 5.980 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.703 5.269 -5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.549 4.631 -3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.586 4.756 -2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.582 3.339 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.036 3.150 -3.347 1.00 0.00 H new ATOM 805 N ALA A 54 4.307 1.140 -5.908 1.00 0.00 N ATOM 806 CA ALA A 54 5.248 0.033 -5.922 1.00 0.00 C ATOM 807 C ALA A 54 6.670 0.576 -5.772 1.00 0.00 C ATOM 808 O ALA A 54 7.028 1.571 -6.400 1.00 0.00 O ATOM 809 CB ALA A 54 5.065 -0.776 -7.208 1.00 0.00 C ATOM 0 H ALA A 54 4.099 1.534 -6.825 1.00 0.00 H new ATOM 0 HA ALA A 54 5.062 -0.639 -5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.771 -1.607 -7.219 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.047 -1.164 -7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.246 -0.134 -8.070 1.00 0.00 H new ATOM 815 N ILE A 55 7.443 -0.102 -4.936 1.00 0.00 N ATOM 816 CA ILE A 55 8.818 0.300 -4.695 1.00 0.00 C ATOM 817 C ILE A 55 9.760 -0.653 -5.434 1.00 0.00 C ATOM 818 O ILE A 55 9.915 -1.807 -5.040 1.00 0.00 O ATOM 819 CB ILE A 55 9.094 0.395 -3.193 1.00 0.00 C ATOM 820 CG1 ILE A 55 7.988 1.177 -2.482 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.478 0.989 -2.926 1.00 0.00 C ATOM 822 CD1 ILE A 55 8.291 2.677 -2.478 1.00 0.00 C ATOM 0 H ILE A 55 7.143 -0.927 -4.417 1.00 0.00 H new ATOM 0 HA ILE A 55 8.998 1.299 -5.092 1.00 0.00 H new ATOM 0 HB ILE A 55 9.092 -0.614 -2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.034 0.997 -2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.887 0.820 -1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.649 1.045 -1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.240 0.356 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.533 1.989 -3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.489 3.209 -1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.233 2.856 -1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.367 3.036 -3.505 1.00 0.00 H new ATOM 834 N THR A 56 10.364 -0.134 -6.493 1.00 0.00 N ATOM 835 CA THR A 56 11.287 -0.924 -7.290 1.00 0.00 C ATOM 836 C THR A 56 12.494 -1.343 -6.449 1.00 0.00 C ATOM 837 O THR A 56 12.735 -0.785 -5.380 1.00 0.00 O ATOM 838 CB THR A 56 11.663 -0.106 -8.527 1.00 0.00 C ATOM 839 OG1 THR A 56 12.533 -0.964 -9.260 1.00 0.00 O ATOM 840 CG2 THR A 56 12.534 1.105 -8.186 1.00 0.00 C ATOM 0 H THR A 56 10.232 0.824 -6.818 1.00 0.00 H new ATOM 0 HA THR A 56 10.825 -1.853 -7.625 1.00 0.00 H new ATOM 0 HB THR A 56 10.756 0.230 -9.029 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.824 -0.512 -10.080 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.772 1.651 -9.099 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.995 1.760 -7.502 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.457 0.768 -7.714 1.00 0.00 H new ATOM 848 N PHE A 57 13.222 -2.324 -6.964 1.00 0.00 N ATOM 849 CA PHE A 57 14.398 -2.825 -6.274 1.00 0.00 C ATOM 850 C PHE A 57 15.279 -1.673 -5.785 1.00 0.00 C ATOM 851 O PHE A 57 15.442 -1.480 -4.581 1.00 0.00 O ATOM 852 CB PHE A 57 15.187 -3.661 -7.284 1.00 0.00 C ATOM 853 CG PHE A 57 16.538 -4.154 -6.763 1.00 0.00 C ATOM 854 CD1 PHE A 57 16.588 -5.152 -5.841 1.00 0.00 C ATOM 855 CD2 PHE A 57 17.689 -3.594 -7.222 1.00 0.00 C ATOM 856 CE1 PHE A 57 17.842 -5.610 -5.357 1.00 0.00 C ATOM 857 CE2 PHE A 57 18.944 -4.052 -6.739 1.00 0.00 C ATOM 858 CZ PHE A 57 18.994 -5.050 -5.816 1.00 0.00 C ATOM 0 H PHE A 57 13.019 -2.785 -7.851 1.00 0.00 H new ATOM 0 HA PHE A 57 14.098 -3.412 -5.406 1.00 0.00 H new ATOM 0 HB2 PHE A 57 14.586 -4.522 -7.576 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.351 -3.067 -8.183 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.674 -5.597 -5.477 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.649 -2.801 -7.954 1.00 0.00 H new ATOM 0 HE1 PHE A 57 17.881 -6.403 -4.625 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.858 -3.608 -7.104 1.00 0.00 H new ATOM 0 HZ PHE A 57 19.948 -5.398 -5.448 1.00 0.00 H new ATOM 868 N SER A 58 15.823 -0.938 -6.744 1.00 0.00 N ATOM 869 CA SER A 58 16.682 0.189 -6.425 1.00 0.00 C ATOM 870 C SER A 58 16.125 0.948 -5.219 1.00 0.00 C ATOM 871 O SER A 58 16.656 0.841 -4.115 1.00 0.00 O ATOM 872 CB SER A 58 16.825 1.129 -7.624 1.00 0.00 C ATOM 873 OG SER A 58 18.130 1.074 -8.193 1.00 0.00 O ATOM 0 H SER A 58 15.685 -1.101 -7.741 1.00 0.00 H new ATOM 0 HA SER A 58 17.672 -0.195 -6.178 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.088 0.864 -8.382 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.609 2.151 -7.312 1.00 0.00 H new ATOM 0 HG SER A 58 18.180 1.687 -8.956 1.00 0.00 H new ATOM 879 N GLY A 59 15.063 1.698 -5.472 1.00 0.00 N ATOM 880 CA GLY A 59 14.428 2.474 -4.421 1.00 0.00 C ATOM 881 C GLY A 59 13.657 3.660 -5.004 1.00 0.00 C ATOM 882 O GLY A 59 14.035 4.813 -4.798 1.00 0.00 O ATOM 0 H GLY A 59 14.626 1.785 -6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.749 1.837 -3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.184 2.835 -3.723 1.00 0.00 H new ATOM 886 N GLU A 60 12.591 3.337 -5.721 1.00 0.00 N ATOM 887 CA GLU A 60 11.763 4.361 -6.336 1.00 0.00 C ATOM 888 C GLU A 60 10.293 3.940 -6.312 1.00 0.00 C ATOM 889 O GLU A 60 9.906 2.982 -6.980 1.00 0.00 O ATOM 890 CB GLU A 60 12.226 4.655 -7.764 1.00 0.00 C ATOM 891 CG GLU A 60 13.433 5.596 -7.767 1.00 0.00 C ATOM 892 CD GLU A 60 13.747 6.081 -9.183 1.00 0.00 C ATOM 893 OE1 GLU A 60 13.816 5.212 -10.079 1.00 0.00 O ATOM 894 OE2 GLU A 60 13.911 7.310 -9.339 1.00 0.00 O ATOM 0 H GLU A 60 12.281 2.380 -5.890 1.00 0.00 H new ATOM 0 HA GLU A 60 11.867 5.280 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.486 3.723 -8.265 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.409 5.104 -8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.233 6.452 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.301 5.081 -7.354 1.00 0.00 H new ATOM 901 N LYS A 61 9.512 4.677 -5.535 1.00 0.00 N ATOM 902 CA LYS A 61 8.092 4.392 -5.415 1.00 0.00 C ATOM 903 C LYS A 61 7.366 4.910 -6.658 1.00 0.00 C ATOM 904 O LYS A 61 7.766 5.917 -7.241 1.00 0.00 O ATOM 905 CB LYS A 61 7.542 4.953 -4.103 1.00 0.00 C ATOM 906 CG LYS A 61 7.150 6.424 -4.257 1.00 0.00 C ATOM 907 CD LYS A 61 7.716 7.266 -3.112 1.00 0.00 C ATOM 908 CE LYS A 61 9.126 7.760 -3.440 1.00 0.00 C ATOM 909 NZ LYS A 61 9.548 8.800 -2.475 1.00 0.00 N ATOM 0 H LYS A 61 9.836 5.471 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 61 7.922 3.316 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.674 4.372 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.292 4.853 -3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.519 6.804 -5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.064 6.514 -4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.063 8.118 -2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.738 6.674 -2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.826 6.925 -3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.150 8.163 -4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.507 9.125 -2.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.889 9.604 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.544 8.403 -1.514 1.00 0.00 H new ATOM 923 N HIS A 62 6.311 4.199 -7.028 1.00 0.00 N ATOM 924 CA HIS A 62 5.525 4.574 -8.191 1.00 0.00 C ATOM 925 C HIS A 62 4.047 4.282 -7.928 1.00 0.00 C ATOM 926 O HIS A 62 3.643 3.122 -7.858 1.00 0.00 O ATOM 927 CB HIS A 62 6.052 3.881 -9.449 1.00 0.00 C ATOM 928 CG HIS A 62 6.534 4.833 -10.518 1.00 0.00 C ATOM 929 ND1 HIS A 62 7.489 5.806 -10.280 1.00 0.00 N ATOM 930 CD2 HIS A 62 6.185 4.949 -11.831 1.00 0.00 C ATOM 931 CE1 HIS A 62 7.696 6.473 -11.406 1.00 0.00 C ATOM 932 NE2 HIS A 62 6.887 5.940 -12.366 1.00 0.00 N ATOM 0 H HIS A 62 5.982 3.365 -6.542 1.00 0.00 H new ATOM 0 HA HIS A 62 5.621 5.645 -8.369 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.872 3.219 -9.170 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.263 3.254 -9.864 1.00 0.00 H new ATOM 0 HD1 HIS A 62 7.954 5.980 -9.389 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.460 4.338 -12.348 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.384 7.294 -11.540 1.00 0.00 H new ATOM 940 N GLU A 63 3.280 5.353 -7.789 1.00 0.00 N ATOM 941 CA GLU A 63 1.855 5.226 -7.535 1.00 0.00 C ATOM 942 C GLU A 63 1.153 4.611 -8.747 1.00 0.00 C ATOM 943 O GLU A 63 1.198 5.167 -9.843 1.00 0.00 O ATOM 944 CB GLU A 63 1.240 6.579 -7.173 1.00 0.00 C ATOM 945 CG GLU A 63 -0.179 6.408 -6.625 1.00 0.00 C ATOM 946 CD GLU A 63 -1.188 7.196 -7.462 1.00 0.00 C ATOM 947 OE1 GLU A 63 -1.075 7.125 -8.705 1.00 0.00 O ATOM 948 OE2 GLU A 63 -2.051 7.853 -6.839 1.00 0.00 O ATOM 0 H GLU A 63 3.619 6.313 -7.847 1.00 0.00 H new ATOM 0 HA GLU A 63 1.715 4.561 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.863 7.078 -6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.218 7.220 -8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.448 5.352 -6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.216 6.747 -5.590 1.00 0.00 H new ATOM 955 N LEU A 64 0.520 3.471 -8.509 1.00 0.00 N ATOM 956 CA LEU A 64 -0.191 2.775 -9.567 1.00 0.00 C ATOM 957 C LEU A 64 -1.550 3.442 -9.788 1.00 0.00 C ATOM 958 O LEU A 64 -1.618 4.624 -10.124 1.00 0.00 O ATOM 959 CB LEU A 64 -0.284 1.280 -9.256 1.00 0.00 C ATOM 960 CG LEU A 64 1.038 0.509 -9.267 1.00 0.00 C ATOM 961 CD1 LEU A 64 1.930 0.967 -10.422 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.748 0.620 -7.916 1.00 0.00 C ATOM 0 H LEU A 64 0.485 3.012 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 64 0.357 2.849 -10.506 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.743 1.161 -8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.956 0.820 -9.980 1.00 0.00 H new ATOM 0 HG LEU A 64 0.817 -0.546 -9.430 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.863 0.403 -10.407 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.417 0.795 -11.368 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.146 2.030 -10.315 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.685 0.063 -7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.956 1.668 -7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.110 0.208 -7.135 1.00 0.00 H new ATOM 974 N GLN A 65 -2.599 2.657 -9.591 1.00 0.00 N ATOM 975 CA GLN A 65 -3.952 3.157 -9.764 1.00 0.00 C ATOM 976 C GLN A 65 -4.944 2.283 -8.994 1.00 0.00 C ATOM 977 O GLN A 65 -4.584 1.214 -8.504 1.00 0.00 O ATOM 978 CB GLN A 65 -4.323 3.232 -11.247 1.00 0.00 C ATOM 979 CG GLN A 65 -3.628 4.412 -11.927 1.00 0.00 C ATOM 980 CD GLN A 65 -4.508 5.005 -13.030 1.00 0.00 C ATOM 981 OE1 GLN A 65 -4.493 4.574 -14.171 1.00 0.00 O ATOM 982 NE2 GLN A 65 -5.272 6.016 -12.626 1.00 0.00 N ATOM 0 H GLN A 65 -2.539 1.677 -9.313 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.999 4.168 -9.360 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.040 2.304 -11.744 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.403 3.333 -11.351 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.399 5.179 -11.187 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.679 4.085 -12.351 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.235 6.327 -11.655 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.895 6.481 -13.287 1.00 0.00 H new ATOM 991 N PRO A 66 -6.205 2.784 -8.909 1.00 0.00 N ATOM 992 CA PRO A 66 -7.251 2.061 -8.206 1.00 0.00 C ATOM 993 C PRO A 66 -7.743 0.869 -9.031 1.00 0.00 C ATOM 994 O PRO A 66 -8.714 0.212 -8.660 1.00 0.00 O ATOM 995 CB PRO A 66 -8.337 3.093 -7.948 1.00 0.00 C ATOM 996 CG PRO A 66 -8.068 4.233 -8.916 1.00 0.00 C ATOM 997 CD PRO A 66 -6.667 4.047 -9.476 1.00 0.00 C ATOM 0 HA PRO A 66 -6.904 1.624 -7.269 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.327 2.667 -8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.307 3.442 -6.916 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.804 4.233 -9.720 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.152 5.194 -8.408 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.678 4.011 -10.565 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.014 4.872 -9.190 1.00 0.00 H new ATOM 1005 N ASN A 67 -7.049 0.627 -10.133 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.403 -0.473 -11.014 1.00 0.00 C ATOM 1007 C ASN A 67 -6.174 -1.357 -11.238 1.00 0.00 C ATOM 1008 O ASN A 67 -6.297 -2.572 -11.380 1.00 0.00 O ATOM 1009 CB ASN A 67 -7.871 0.040 -12.377 1.00 0.00 C ATOM 1010 CG ASN A 67 -7.770 -1.056 -13.440 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -8.576 -1.970 -13.504 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -6.739 -0.914 -14.267 1.00 0.00 N ATOM 0 H ASN A 67 -6.243 1.174 -10.436 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.211 -1.034 -10.544 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.902 0.387 -12.304 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.266 0.897 -12.674 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.585 -1.594 -15.011 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.102 -0.125 -14.157 1.00 0.00 H new ATOM 1019 N ASP A 68 -5.017 -0.711 -11.261 1.00 0.00 N ATOM 1020 CA ASP A 68 -3.767 -1.423 -11.465 1.00 0.00 C ATOM 1021 C ASP A 68 -3.732 -2.654 -10.557 1.00 0.00 C ATOM 1022 O ASP A 68 -3.626 -2.527 -9.338 1.00 0.00 O ATOM 1023 CB ASP A 68 -2.568 -0.541 -11.114 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.902 0.151 -12.305 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -2.508 1.122 -12.807 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -0.804 -0.307 -12.686 1.00 0.00 O ATOM 0 H ASP A 68 -4.919 0.297 -11.142 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.709 -1.709 -12.515 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.892 0.221 -10.405 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.823 -1.153 -10.606 1.00 0.00 H new ATOM 1031 N LEU A 69 -3.823 -3.817 -11.186 1.00 0.00 N ATOM 1032 CA LEU A 69 -3.803 -5.069 -10.450 1.00 0.00 C ATOM 1033 C LEU A 69 -2.745 -4.990 -9.347 1.00 0.00 C ATOM 1034 O LEU A 69 -1.744 -4.290 -9.491 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.609 -6.249 -11.404 1.00 0.00 C ATOM 1036 CG LEU A 69 -4.624 -7.387 -11.278 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -6.049 -6.879 -11.512 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -4.268 -8.545 -12.212 1.00 0.00 C ATOM 0 H LEU A 69 -3.911 -3.918 -12.197 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.762 -5.239 -9.961 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.640 -5.873 -12.427 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.612 -6.659 -11.245 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.582 -7.771 -10.259 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.751 -7.708 -11.417 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.288 -6.114 -10.773 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.124 -6.453 -12.513 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.005 -9.340 -12.103 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.265 -8.193 -13.243 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.280 -8.928 -11.956 1.00 0.00 H new ATOM 1050 N VAL A 70 -3.002 -5.719 -8.271 1.00 0.00 N ATOM 1051 CA VAL A 70 -2.084 -5.741 -7.145 1.00 0.00 C ATOM 1052 C VAL A 70 -1.404 -7.109 -7.074 1.00 0.00 C ATOM 1053 O VAL A 70 -1.037 -7.569 -5.993 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.827 -5.375 -5.858 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.675 -3.886 -5.542 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.302 -5.770 -5.945 1.00 0.00 C ATOM 0 H VAL A 70 -3.833 -6.299 -8.155 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.300 -4.995 -7.276 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.378 -5.938 -5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.212 -3.652 -4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.619 -3.647 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.085 -3.296 -6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.807 -5.499 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.770 -5.247 -6.779 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.382 -6.846 -6.100 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.254 -7.722 -8.239 1.00 0.00 N ATOM 1067 CA ILE A 71 -0.624 -9.028 -8.322 1.00 0.00 C ATOM 1068 C ILE A 71 -0.332 -9.356 -9.788 1.00 0.00 C ATOM 1069 O ILE A 71 -0.965 -10.237 -10.368 1.00 0.00 O ATOM 1070 CB ILE A 71 -1.478 -10.082 -7.615 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -0.784 -11.445 -7.620 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -2.880 -10.150 -8.224 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -1.270 -12.313 -6.457 1.00 0.00 C ATOM 0 H ILE A 71 -1.558 -7.338 -9.134 1.00 0.00 H new ATOM 0 HA ILE A 71 0.332 -9.023 -7.799 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.594 -9.784 -6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.980 -11.953 -8.564 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.295 -11.308 -7.550 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.467 -10.907 -7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.368 -9.180 -8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.806 -10.411 -9.280 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.761 -13.276 -6.484 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.051 -11.813 -5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.345 -12.469 -6.544 1.00 0.00 H new ATOM 1191 N ARG A 80 6.845 -5.432 -3.146 1.00 0.00 N ATOM 1192 CA ARG A 80 6.086 -4.953 -2.003 1.00 0.00 C ATOM 1193 C ARG A 80 5.337 -3.668 -2.364 1.00 0.00 C ATOM 1194 O ARG A 80 5.951 -2.678 -2.760 1.00 0.00 O ATOM 1195 CB ARG A 80 7.002 -4.683 -0.807 1.00 0.00 C ATOM 1196 CG ARG A 80 7.066 -5.898 0.120 1.00 0.00 C ATOM 1197 CD ARG A 80 8.490 -6.453 0.198 1.00 0.00 C ATOM 1198 NE ARG A 80 8.454 -7.897 0.521 1.00 0.00 N ATOM 1199 CZ ARG A 80 9.531 -8.693 0.526 1.00 0.00 C ATOM 1200 NH1 ARG A 80 10.737 -8.190 0.224 1.00 0.00 N ATOM 1201 NH2 ARG A 80 9.404 -9.991 0.831 1.00 0.00 N ATOM 0 HA ARG A 80 5.372 -5.730 -1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.004 -4.437 -1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.638 -3.818 -0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.726 -5.618 1.117 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.389 -6.672 -0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.002 -6.297 -0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.057 -5.916 0.958 1.00 0.00 H new ATOM 0 HE ARG A 80 7.552 -8.312 0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.834 -7.202 -0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.558 -8.796 0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.487 -10.374 1.060 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.225 -10.597 0.835 1.00 0.00 H new ATOM 1215 N ILE A 81 4.022 -3.726 -2.214 1.00 0.00 N ATOM 1216 CA ILE A 81 3.183 -2.579 -2.519 1.00 0.00 C ATOM 1217 C ILE A 81 3.093 -1.676 -1.287 1.00 0.00 C ATOM 1218 O ILE A 81 3.030 -2.164 -0.159 1.00 0.00 O ATOM 1219 CB ILE A 81 1.822 -3.036 -3.048 1.00 0.00 C ATOM 1220 CG1 ILE A 81 1.982 -3.895 -4.304 1.00 0.00 C ATOM 1221 CG2 ILE A 81 0.896 -1.841 -3.284 1.00 0.00 C ATOM 1222 CD1 ILE A 81 2.978 -3.262 -5.278 1.00 0.00 C ATOM 0 H ILE A 81 3.517 -4.549 -1.885 1.00 0.00 H new ATOM 0 HA ILE A 81 3.626 -1.985 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 81 1.353 -3.661 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.323 -4.892 -4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.015 -4.014 -4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.064 -2.194 -3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.745 -1.307 -2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.347 -1.170 -4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.073 -3.893 -6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.621 -2.275 -5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.950 -3.167 -4.794 1.00 0.00 H new ATOM 1234 N TYR A 82 3.089 -0.377 -1.544 1.00 0.00 N ATOM 1235 CA TYR A 82 3.007 0.599 -0.470 1.00 0.00 C ATOM 1236 C TYR A 82 1.772 1.488 -0.629 1.00 0.00 C ATOM 1237 O TYR A 82 1.030 1.357 -1.602 1.00 0.00 O ATOM 1238 CB TYR A 82 4.263 1.464 -0.590 1.00 0.00 C ATOM 1239 CG TYR A 82 5.550 0.757 -0.160 1.00 0.00 C ATOM 1240 CD1 TYR A 82 5.926 -0.423 -0.769 1.00 0.00 C ATOM 1241 CD2 TYR A 82 6.334 1.299 0.838 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.137 -1.088 -0.364 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.545 0.634 1.243 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.887 -0.527 0.622 1.00 0.00 C ATOM 1245 OH TYR A 82 9.031 -1.156 1.005 1.00 0.00 O ATOM 0 H TYR A 82 3.141 0.023 -2.481 1.00 0.00 H new ATOM 0 HA TYR A 82 2.933 0.101 0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.369 1.791 -1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.133 2.361 0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.312 -0.848 -1.549 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.039 2.222 1.315 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.443 -2.012 -0.833 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.168 1.048 2.022 1.00 0.00 H new ATOM 0 HH TYR A 82 9.465 -0.641 1.717 1.00 0.00 H new ATOM 1255 N VAL A 83 1.590 2.372 0.340 1.00 0.00 N ATOM 1256 CA VAL A 83 0.458 3.282 0.320 1.00 0.00 C ATOM 1257 C VAL A 83 0.863 4.608 0.967 1.00 0.00 C ATOM 1258 O VAL A 83 1.291 4.635 2.120 1.00 0.00 O ATOM 1259 CB VAL A 83 -0.750 2.631 0.997 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.408 2.190 2.421 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -1.956 3.572 0.989 1.00 0.00 C ATOM 0 H VAL A 83 2.208 2.478 1.145 1.00 0.00 H new ATOM 0 HA VAL A 83 0.161 3.498 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.016 1.742 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.284 1.731 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.408 1.468 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.104 3.057 3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.801 3.085 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.707 4.488 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.221 3.815 -0.040 1.00 0.00 H new ATOM 1271 N TYR A 84 0.714 5.676 0.197 1.00 0.00 N ATOM 1272 CA TYR A 84 1.059 7.002 0.681 1.00 0.00 C ATOM 1273 C TYR A 84 -0.190 7.873 0.830 1.00 0.00 C ATOM 1274 O TYR A 84 -1.291 7.450 0.483 1.00 0.00 O ATOM 1275 CB TYR A 84 1.970 7.616 -0.383 1.00 0.00 C ATOM 1276 CG TYR A 84 3.380 7.021 -0.414 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.550 5.653 -0.490 1.00 0.00 C ATOM 1278 CD2 TYR A 84 4.481 7.852 -0.366 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.876 5.094 -0.519 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.807 7.292 -0.395 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.939 5.940 -0.470 1.00 0.00 C ATOM 1282 OH TYR A 84 7.192 5.412 -0.497 1.00 0.00 O ATOM 0 H TYR A 84 0.359 5.650 -0.759 1.00 0.00 H new ATOM 0 HA TYR A 84 1.539 6.941 1.658 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.509 7.483 -1.362 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.043 8.689 -0.208 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.689 5.003 -0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.348 8.922 -0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 84 5.023 4.026 -0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.677 7.931 -0.358 1.00 0.00 H new ATOM 0 HH TYR A 84 7.182 4.524 -0.083 1.00 0.00 H new ATOM 1292 N ARG A 85 0.024 9.074 1.348 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.070 10.009 1.547 1.00 0.00 C ATOM 1294 C ARG A 85 -1.106 11.035 0.412 1.00 0.00 C ATOM 1295 O ARG A 85 -0.077 11.608 0.057 1.00 0.00 O ATOM 1296 CB ARG A 85 -0.933 10.741 2.883 1.00 0.00 C ATOM 1297 CG ARG A 85 -1.887 11.935 2.955 1.00 0.00 C ATOM 1298 CD ARG A 85 -2.776 11.851 4.198 1.00 0.00 C ATOM 1299 NE ARG A 85 -2.800 13.158 4.892 1.00 0.00 N ATOM 1300 CZ ARG A 85 -1.741 13.699 5.511 1.00 0.00 C ATOM 1301 NH1 ARG A 85 -0.569 13.049 5.525 1.00 0.00 N ATOM 1302 NH2 ARG A 85 -1.855 14.890 6.115 1.00 0.00 N ATOM 0 H ARG A 85 0.939 9.421 1.636 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.998 9.437 1.553 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.144 10.053 3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.094 11.083 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.314 12.862 2.975 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.508 11.963 2.060 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.788 11.563 3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.402 11.079 4.871 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.677 13.679 4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.483 12.143 5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.237 13.461 5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.747 15.384 6.104 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.050 15.302 6.586 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.300 11.235 -0.125 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.483 12.182 -1.212 1.00 0.00 C ATOM 1318 C LYS A 86 -2.951 13.522 -0.641 1.00 0.00 C ATOM 1319 O LYS A 86 -4.075 13.634 -0.154 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.421 11.604 -2.273 1.00 0.00 C ATOM 1321 CG LYS A 86 -2.695 10.577 -3.146 1.00 0.00 C ATOM 1322 CD LYS A 86 -3.430 10.367 -4.471 1.00 0.00 C ATOM 1323 CE LYS A 86 -2.839 11.250 -5.572 1.00 0.00 C ATOM 1324 NZ LYS A 86 -3.219 10.737 -6.907 1.00 0.00 N ATOM 0 H LYS A 86 -3.151 10.757 0.172 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.537 12.365 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.278 11.135 -1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.809 12.409 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.677 10.914 -3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.621 9.629 -2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.364 9.320 -4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.488 10.597 -4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.194 12.274 -5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.753 11.276 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.796 11.338 -7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.874 9.762 -7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.255 10.751 -7.002 1.00 0.00 H new ATOM 1424 N ASN A 93 4.951 11.261 -0.216 1.00 0.00 N ATOM 1425 CA ASN A 93 5.611 11.155 1.074 1.00 0.00 C ATOM 1426 C ASN A 93 5.284 9.798 1.700 1.00 0.00 C ATOM 1427 O ASN A 93 4.119 9.409 1.775 1.00 0.00 O ATOM 1428 CB ASN A 93 5.127 12.246 2.031 1.00 0.00 C ATOM 1429 CG ASN A 93 4.854 13.551 1.282 1.00 0.00 C ATOM 1430 OD1 ASN A 93 5.756 14.248 0.847 1.00 0.00 O ATOM 1431 ND2 ASN A 93 3.562 13.843 1.156 1.00 0.00 N ATOM 0 HA ASN A 93 6.684 11.265 0.914 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.219 11.915 2.536 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.877 12.416 2.803 1.00 0.00 H new ATOM 0 HD21 ASN A 93 3.276 14.694 0.672 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.857 13.216 1.544 1.00 0.00 H new ATOM 1438 N PRO A 94 6.360 9.095 2.144 1.00 0.00 N ATOM 1439 CA PRO A 94 6.199 7.790 2.761 1.00 0.00 C ATOM 1440 C PRO A 94 5.652 7.919 4.184 1.00 0.00 C ATOM 1441 O PRO A 94 6.252 7.415 5.132 1.00 0.00 O ATOM 1442 CB PRO A 94 7.580 7.158 2.711 1.00 0.00 C ATOM 1443 CG PRO A 94 8.555 8.304 2.494 1.00 0.00 C ATOM 1444 CD PRO A 94 7.754 9.524 2.072 1.00 0.00 C ATOM 0 HA PRO A 94 5.471 7.167 2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.801 6.628 3.637 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.647 6.430 1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.111 8.510 3.408 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.286 8.044 1.728 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.943 10.370 2.733 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.019 9.842 1.064 1.00 0.00 H new ATOM 1452 N PHE A 95 4.519 8.598 4.289 1.00 0.00 N ATOM 1453 CA PHE A 95 3.885 8.801 5.581 1.00 0.00 C ATOM 1454 C PHE A 95 4.928 9.063 6.669 1.00 0.00 C ATOM 1455 O PHE A 95 6.056 9.454 6.371 1.00 0.00 O ATOM 1456 CB PHE A 95 3.130 7.513 5.915 1.00 0.00 C ATOM 1457 CG PHE A 95 1.623 7.704 6.096 1.00 0.00 C ATOM 1458 CD1 PHE A 95 1.154 8.723 6.866 1.00 0.00 C ATOM 1459 CD2 PHE A 95 0.751 6.856 5.488 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -0.244 8.900 7.035 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.647 7.033 5.656 1.00 0.00 C ATOM 1462 CZ PHE A 95 -1.116 8.052 6.426 1.00 0.00 C ATOM 0 H PHE A 95 4.024 9.015 3.501 1.00 0.00 H new ATOM 0 HA PHE A 95 3.220 9.664 5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.301 6.787 5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.544 7.088 6.829 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.846 9.397 7.349 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.123 6.047 4.877 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.616 9.708 7.647 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.339 6.359 5.173 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.180 8.187 6.554 1.00 0.00 H new