USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 320 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= -0.0357 (180deg=-0.22) USER MOD Single : A 26 SER OG : rot 18:sc= 0.234! USER MOD Single : A 31 SER OG : rot 180:sc= 0.124 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= -0.0157 (180deg=-2.74!) USER MOD Single : A 44 ASN : amide:sc=-0.00097 X(o=-0.00097,f=-0.00097) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.173 USER MOD ----------------------------------------------------------------- ATOM 131 N LEU A 9 5.249 3.099 -19.952 1.00 11.01 N ATOM 132 CA LEU A 9 6.016 3.622 -21.078 1.00 34.44 C ATOM 133 C LEU A 9 6.424 2.499 -22.026 1.00 54.25 C ATOM 134 O LEU A 9 7.346 1.736 -21.741 1.00 41.41 O ATOM 135 CB LEU A 9 7.259 4.357 -20.575 1.00 41.54 C ATOM 136 CG LEU A 9 7.621 5.646 -21.315 1.00 62.33 C ATOM 137 CD1 LEU A 9 7.678 5.402 -22.815 1.00 64.43 C ATOM 138 CD2 LEU A 9 6.622 6.747 -20.990 1.00 23.51 C ATOM 0 HA LEU A 9 5.384 4.322 -21.624 1.00 34.44 H new ATOM 0 HB2 LEU A 9 7.115 4.595 -19.521 1.00 41.54 H new ATOM 0 HB3 LEU A 9 8.108 3.676 -20.635 1.00 41.54 H new ATOM 0 HG LEU A 9 8.607 5.968 -20.982 1.00 62.33 H new ATOM 0 HD11 LEU A 9 7.937 6.330 -23.325 1.00 64.43 H new ATOM 0 HD12 LEU A 9 8.432 4.646 -23.032 1.00 64.43 H new ATOM 0 HD13 LEU A 9 6.706 5.055 -23.164 1.00 64.43 H new ATOM 0 HD21 LEU A 9 6.896 7.656 -21.525 1.00 23.51 H new ATOM 0 HD22 LEU A 9 5.623 6.433 -21.294 1.00 23.51 H new ATOM 0 HD23 LEU A 9 6.631 6.941 -19.917 1.00 23.51 H new ATOM 150 N ALA A 10 5.731 2.406 -23.157 1.00 20.01 N ATOM 151 CA ALA A 10 6.024 1.380 -24.150 1.00 30.11 C ATOM 152 C ALA A 10 5.116 1.518 -25.367 1.00 13.51 C ATOM 153 O ALA A 10 4.206 2.348 -25.385 1.00 34.11 O ATOM 154 CB ALA A 10 5.880 -0.005 -23.536 1.00 53.12 C ATOM 0 H ALA A 10 4.963 3.029 -23.408 1.00 20.01 H new ATOM 0 HA ALA A 10 7.054 1.514 -24.481 1.00 30.11 H new ATOM 0 HB1 ALA A 10 6.102 -0.762 -24.289 1.00 53.12 H new ATOM 0 HB2 ALA A 10 6.575 -0.108 -22.703 1.00 53.12 H new ATOM 0 HB3 ALA A 10 4.860 -0.139 -23.176 1.00 53.12 H new ATOM 160 N THR A 11 5.369 0.701 -26.385 1.00 13.33 N ATOM 161 CA THR A 11 4.575 0.734 -27.607 1.00 2.13 C ATOM 162 C THR A 11 3.089 0.582 -27.302 1.00 4.43 C ATOM 163 O THR A 11 2.695 0.095 -26.242 1.00 41.01 O ATOM 164 CB THR A 11 5.003 -0.377 -28.584 1.00 50.22 C ATOM 165 OG1 THR A 11 5.497 -1.506 -27.856 1.00 61.52 O ATOM 166 CG2 THR A 11 6.075 0.126 -29.539 1.00 41.01 C ATOM 0 H THR A 11 6.118 0.008 -26.387 1.00 13.33 H new ATOM 0 HA THR A 11 4.750 1.704 -28.072 1.00 2.13 H new ATOM 0 HB THR A 11 4.131 -0.674 -29.166 1.00 50.22 H new ATOM 0 HG1 THR A 11 5.765 -2.208 -28.484 1.00 61.52 H new ATOM 0 HG21 THR A 11 6.361 -0.676 -30.219 1.00 41.01 H new ATOM 0 HG22 THR A 11 5.686 0.967 -30.113 1.00 41.01 H new ATOM 0 HG23 THR A 11 6.947 0.448 -28.970 1.00 41.01 H new ATOM 174 N PRO A 12 2.243 1.009 -28.251 1.00 61.51 N ATOM 175 CA PRO A 12 0.786 0.929 -28.107 1.00 25.02 C ATOM 176 C PRO A 12 0.276 -0.507 -28.159 1.00 23.14 C ATOM 177 O PRO A 12 -0.873 -0.780 -27.815 1.00 32.14 O ATOM 178 CB PRO A 12 0.267 1.725 -29.307 1.00 22.40 C ATOM 179 CG PRO A 12 1.358 1.640 -30.318 1.00 72.33 C ATOM 180 CD PRO A 12 2.643 1.600 -29.539 1.00 1.21 C ATOM 0 HA PRO A 12 0.450 1.315 -27.145 1.00 25.02 H new ATOM 0 HB2 PRO A 12 -0.662 1.303 -29.690 1.00 22.40 H new ATOM 0 HB3 PRO A 12 0.059 2.760 -29.035 1.00 22.40 H new ATOM 0 HG2 PRO A 12 1.249 0.749 -30.936 1.00 72.33 H new ATOM 0 HG3 PRO A 12 1.335 2.498 -30.989 1.00 72.33 H new ATOM 0 HD2 PRO A 12 3.399 0.996 -30.041 1.00 1.21 H new ATOM 0 HD3 PRO A 12 3.066 2.596 -29.410 1.00 1.21 H new ATOM 188 N ALA A 13 1.139 -1.421 -28.590 1.00 71.34 N ATOM 189 CA ALA A 13 0.776 -2.830 -28.685 1.00 12.24 C ATOM 190 C ALA A 13 0.948 -3.532 -27.342 1.00 63.21 C ATOM 191 O ALA A 13 0.179 -4.428 -26.995 1.00 73.45 O ATOM 192 CB ALA A 13 1.610 -3.519 -29.754 1.00 74.52 C ATOM 0 H ALA A 13 2.094 -1.211 -28.879 1.00 71.34 H new ATOM 0 HA ALA A 13 -0.275 -2.891 -28.966 1.00 12.24 H new ATOM 0 HB1 ALA A 13 1.328 -4.570 -29.814 1.00 74.52 H new ATOM 0 HB2 ALA A 13 1.434 -3.041 -30.717 1.00 74.52 H new ATOM 0 HB3 ALA A 13 2.667 -3.441 -29.498 1.00 74.52 H new ATOM 198 N VAL A 14 1.964 -3.120 -26.590 1.00 12.01 N ATOM 199 CA VAL A 14 2.237 -3.710 -25.285 1.00 1.43 C ATOM 200 C VAL A 14 1.194 -3.281 -24.259 1.00 30.22 C ATOM 201 O VAL A 14 0.879 -4.026 -23.331 1.00 35.30 O ATOM 202 CB VAL A 14 3.636 -3.317 -24.773 1.00 52.22 C ATOM 203 CG1 VAL A 14 3.888 -3.913 -23.397 1.00 10.34 C ATOM 204 CG2 VAL A 14 4.707 -3.759 -25.759 1.00 12.10 C ATOM 0 H VAL A 14 2.611 -2.380 -26.862 1.00 12.01 H new ATOM 0 HA VAL A 14 2.195 -4.792 -25.412 1.00 1.43 H new ATOM 0 HB VAL A 14 3.680 -2.231 -24.686 1.00 52.22 H new ATOM 0 HG11 VAL A 14 4.881 -3.625 -23.052 1.00 10.34 H new ATOM 0 HG12 VAL A 14 3.139 -3.543 -22.697 1.00 10.34 H new ATOM 0 HG13 VAL A 14 3.825 -5.000 -23.454 1.00 10.34 H new ATOM 0 HG21 VAL A 14 5.689 -3.473 -25.382 1.00 12.10 H new ATOM 0 HG22 VAL A 14 4.665 -4.841 -25.880 1.00 12.10 H new ATOM 0 HG23 VAL A 14 4.535 -3.279 -26.722 1.00 12.10 H new ATOM 214 N ARG A 15 0.661 -2.076 -24.432 1.00 64.15 N ATOM 215 CA ARG A 15 -0.346 -1.548 -23.521 1.00 55.41 C ATOM 216 C ARG A 15 -1.572 -2.455 -23.481 1.00 34.21 C ATOM 217 O ARG A 15 -1.956 -2.950 -22.421 1.00 13.12 O ATOM 218 CB ARG A 15 -0.757 -0.136 -23.944 1.00 73.12 C ATOM 219 CG ARG A 15 -1.920 0.426 -23.143 1.00 32.33 C ATOM 220 CD ARG A 15 -2.069 1.925 -23.352 1.00 63.53 C ATOM 221 NE ARG A 15 -1.203 2.690 -22.459 1.00 53.44 N ATOM 222 CZ ARG A 15 -1.208 4.017 -22.391 1.00 44.00 C ATOM 223 NH1 ARG A 15 -2.028 4.721 -23.159 1.00 31.04 N ATOM 224 NH2 ARG A 15 -0.390 4.642 -21.553 1.00 54.11 N ATOM 0 H ARG A 15 0.910 -1.447 -25.195 1.00 64.15 H new ATOM 0 HA ARG A 15 0.089 -1.509 -22.522 1.00 55.41 H new ATOM 0 HB2 ARG A 15 0.100 0.529 -23.840 1.00 73.12 H new ATOM 0 HB3 ARG A 15 -1.026 -0.146 -25.000 1.00 73.12 H new ATOM 0 HG2 ARG A 15 -2.842 -0.077 -23.436 1.00 32.33 H new ATOM 0 HG3 ARG A 15 -1.767 0.219 -22.084 1.00 32.33 H new ATOM 0 HD2 ARG A 15 -1.832 2.172 -24.387 1.00 63.53 H new ATOM 0 HD3 ARG A 15 -3.107 2.213 -23.185 1.00 63.53 H new ATOM 0 HE ARG A 15 -0.560 2.178 -21.855 1.00 53.44 H new ATOM 0 HH11 ARG A 15 -2.658 4.244 -23.804 1.00 31.04 H new ATOM 0 HH12 ARG A 15 -2.029 5.740 -23.104 1.00 31.04 H new ATOM 0 HH21 ARG A 15 0.243 4.104 -20.961 1.00 54.11 H new ATOM 0 HH22 ARG A 15 -0.394 5.661 -21.501 1.00 54.11 H new ATOM 238 N ARG A 16 -2.182 -2.669 -24.642 1.00 55.21 N ATOM 239 CA ARG A 16 -3.366 -3.515 -24.739 1.00 63.12 C ATOM 240 C ARG A 16 -3.003 -4.982 -24.530 1.00 32.51 C ATOM 241 O ARG A 16 -3.760 -5.739 -23.920 1.00 23.14 O ATOM 242 CB ARG A 16 -4.038 -3.334 -26.101 1.00 40.04 C ATOM 243 CG ARG A 16 -3.120 -3.626 -27.277 1.00 50.42 C ATOM 244 CD ARG A 16 -3.248 -5.069 -27.739 1.00 42.21 C ATOM 245 NE ARG A 16 -2.006 -5.569 -28.323 1.00 2.34 N ATOM 246 CZ ARG A 16 -1.624 -5.312 -29.569 1.00 31.41 C ATOM 247 NH1 ARG A 16 -2.384 -4.566 -30.358 1.00 42.41 N ATOM 248 NH2 ARG A 16 -0.480 -5.803 -30.028 1.00 22.23 N ATOM 0 H ARG A 16 -1.876 -2.268 -25.529 1.00 55.21 H new ATOM 0 HA ARG A 16 -4.062 -3.215 -23.956 1.00 63.12 H new ATOM 0 HB2 ARG A 16 -4.907 -3.990 -26.158 1.00 40.04 H new ATOM 0 HB3 ARG A 16 -4.405 -2.311 -26.183 1.00 40.04 H new ATOM 0 HG2 ARG A 16 -3.360 -2.956 -28.102 1.00 50.42 H new ATOM 0 HG3 ARG A 16 -2.087 -3.424 -26.993 1.00 50.42 H new ATOM 0 HD2 ARG A 16 -3.529 -5.697 -26.893 1.00 42.21 H new ATOM 0 HD3 ARG A 16 -4.050 -5.145 -28.473 1.00 42.21 H new ATOM 0 HE ARG A 16 -1.399 -6.147 -27.742 1.00 2.34 H new ATOM 0 HH11 ARG A 16 -3.265 -4.188 -30.009 1.00 42.41 H new ATOM 0 HH12 ARG A 16 -2.088 -4.370 -31.314 1.00 42.41 H new ATOM 0 HH21 ARG A 16 0.107 -6.378 -29.424 1.00 22.23 H new ATOM 0 HH22 ARG A 16 -0.188 -5.605 -30.985 1.00 22.23 H new ATOM 262 N LEU A 17 -1.842 -5.378 -25.040 1.00 74.24 N ATOM 263 CA LEU A 17 -1.379 -6.755 -24.910 1.00 71.42 C ATOM 264 C LEU A 17 -1.401 -7.202 -23.452 1.00 12.22 C ATOM 265 O LEU A 17 -2.128 -8.125 -23.086 1.00 11.21 O ATOM 266 CB LEU A 17 0.035 -6.894 -25.477 1.00 21.25 C ATOM 267 CG LEU A 17 0.802 -8.152 -25.067 1.00 33.21 C ATOM 268 CD1 LEU A 17 -0.011 -9.399 -25.381 1.00 51.41 C ATOM 269 CD2 LEU A 17 2.153 -8.204 -25.765 1.00 32.40 C ATOM 0 H LEU A 17 -1.204 -4.765 -25.547 1.00 74.24 H new ATOM 0 HA LEU A 17 -2.056 -7.395 -25.477 1.00 71.42 H new ATOM 0 HB2 LEU A 17 -0.027 -6.869 -26.565 1.00 21.25 H new ATOM 0 HB3 LEU A 17 0.615 -6.023 -25.171 1.00 21.25 H new ATOM 0 HG LEU A 17 0.973 -8.116 -23.991 1.00 33.21 H new ATOM 0 HD11 LEU A 17 0.551 -10.284 -25.083 1.00 51.41 H new ATOM 0 HD12 LEU A 17 -0.954 -9.366 -24.835 1.00 51.41 H new ATOM 0 HD13 LEU A 17 -0.213 -9.442 -26.451 1.00 51.41 H new ATOM 0 HD21 LEU A 17 2.685 -9.106 -25.461 1.00 32.40 H new ATOM 0 HD22 LEU A 17 2.004 -8.216 -26.845 1.00 32.40 H new ATOM 0 HD23 LEU A 17 2.739 -7.327 -25.490 1.00 32.40 H new ATOM 281 N ALA A 18 -0.601 -6.539 -22.623 1.00 53.42 N ATOM 282 CA ALA A 18 -0.532 -6.864 -21.204 1.00 73.21 C ATOM 283 C ALA A 18 -1.916 -6.823 -20.564 1.00 25.25 C ATOM 284 O ALA A 18 -2.257 -7.678 -19.746 1.00 43.43 O ATOM 285 CB ALA A 18 0.411 -5.909 -20.489 1.00 3.33 C ATOM 0 H ALA A 18 0.009 -5.773 -22.910 1.00 53.42 H new ATOM 0 HA ALA A 18 -0.145 -7.879 -21.107 1.00 73.21 H new ATOM 0 HB1 ALA A 18 0.453 -6.164 -19.430 1.00 3.33 H new ATOM 0 HB2 ALA A 18 1.408 -5.991 -20.921 1.00 3.33 H new ATOM 0 HB3 ALA A 18 0.049 -4.887 -20.602 1.00 3.33 H new ATOM 291 N MET A 19 -2.707 -5.824 -20.940 1.00 33.33 N ATOM 292 CA MET A 19 -4.054 -5.673 -20.401 1.00 72.04 C ATOM 293 C MET A 19 -4.852 -6.963 -20.563 1.00 32.03 C ATOM 294 O MET A 19 -5.710 -7.279 -19.739 1.00 53.05 O ATOM 295 CB MET A 19 -4.779 -4.521 -21.099 1.00 40.44 C ATOM 296 CG MET A 19 -5.865 -3.881 -20.249 1.00 24.52 C ATOM 297 SD MET A 19 -7.217 -3.213 -21.236 1.00 50.31 S ATOM 298 CE MET A 19 -8.030 -2.165 -20.032 1.00 24.12 C ATOM 0 H MET A 19 -2.439 -5.108 -21.615 1.00 33.33 H new ATOM 0 HA MET A 19 -3.970 -5.449 -19.338 1.00 72.04 H new ATOM 0 HB2 MET A 19 -4.050 -3.759 -21.377 1.00 40.44 H new ATOM 0 HB3 MET A 19 -5.223 -4.889 -22.024 1.00 40.44 H new ATOM 0 HG2 MET A 19 -6.260 -4.621 -19.553 1.00 24.52 H new ATOM 0 HG3 MET A 19 -5.428 -3.082 -19.650 1.00 24.52 H new ATOM 0 HE1 MET A 19 -8.890 -1.680 -20.494 1.00 24.12 H new ATOM 0 HE2 MET A 19 -8.364 -2.770 -19.189 1.00 24.12 H new ATOM 0 HE3 MET A 19 -7.332 -1.406 -19.680 1.00 24.12 H new ATOM 308 N GLU A 20 -4.563 -7.703 -21.628 1.00 71.35 N ATOM 309 CA GLU A 20 -5.256 -8.958 -21.897 1.00 24.23 C ATOM 310 C GLU A 20 -4.938 -9.995 -20.823 1.00 62.23 C ATOM 311 O GLU A 20 -5.779 -10.824 -20.478 1.00 64.22 O ATOM 312 CB GLU A 20 -4.865 -9.498 -23.274 1.00 41.32 C ATOM 313 CG GLU A 20 -5.025 -8.483 -24.393 1.00 54.44 C ATOM 314 CD GLU A 20 -5.372 -9.128 -25.721 1.00 13.10 C ATOM 315 OE1 GLU A 20 -5.250 -10.366 -25.828 1.00 34.33 O ATOM 316 OE2 GLU A 20 -5.765 -8.395 -26.653 1.00 33.43 O ATOM 0 H GLU A 20 -3.854 -7.456 -22.319 1.00 71.35 H new ATOM 0 HA GLU A 20 -6.328 -8.762 -21.883 1.00 24.23 H new ATOM 0 HB2 GLU A 20 -3.828 -9.832 -23.243 1.00 41.32 H new ATOM 0 HB3 GLU A 20 -5.475 -10.373 -23.498 1.00 41.32 H new ATOM 0 HG2 GLU A 20 -5.806 -7.771 -24.124 1.00 54.44 H new ATOM 0 HG3 GLU A 20 -4.100 -7.916 -24.499 1.00 54.44 H new ATOM 323 N ASN A 21 -3.717 -9.942 -20.300 1.00 51.32 N ATOM 324 CA ASN A 21 -3.287 -10.877 -19.267 1.00 2.31 C ATOM 325 C ASN A 21 -3.461 -10.270 -17.878 1.00 22.22 C ATOM 326 O ASN A 21 -2.790 -10.669 -16.927 1.00 43.20 O ATOM 327 CB ASN A 21 -1.825 -11.271 -19.484 1.00 25.32 C ATOM 328 CG ASN A 21 -1.574 -11.821 -20.875 1.00 33.12 C ATOM 329 OD1 ASN A 21 -1.994 -12.932 -21.200 1.00 2.00 O ATOM 330 ND2 ASN A 21 -0.887 -11.044 -21.703 1.00 52.45 N ATOM 0 H ASN A 21 -3.008 -9.262 -20.575 1.00 51.32 H new ATOM 0 HA ASN A 21 -3.911 -11.768 -19.335 1.00 2.31 H new ATOM 0 HB2 ASN A 21 -1.189 -10.401 -19.320 1.00 25.32 H new ATOM 0 HB3 ASN A 21 -1.539 -12.018 -18.744 1.00 25.32 H new ATOM 0 HD21 ASN A 21 -0.688 -11.360 -22.652 1.00 52.45 H new ATOM 0 HD22 ASN A 21 -0.558 -10.130 -21.390 1.00 52.45 H new ATOM 337 N ASN A 22 -4.367 -9.304 -17.769 1.00 72.22 N ATOM 338 CA ASN A 22 -4.630 -8.642 -16.496 1.00 70.35 C ATOM 339 C ASN A 22 -3.336 -8.130 -15.872 1.00 64.12 C ATOM 340 O ASN A 22 -3.066 -8.368 -14.695 1.00 30.15 O ATOM 341 CB ASN A 22 -5.329 -9.603 -15.533 1.00 23.53 C ATOM 342 CG ASN A 22 -6.530 -10.282 -16.162 1.00 53.51 C ATOM 343 OD1 ASN A 22 -6.716 -11.491 -16.028 1.00 25.24 O ATOM 344 ND2 ASN A 22 -7.354 -9.503 -16.854 1.00 44.23 N ATOM 0 H ASN A 22 -4.932 -8.962 -18.547 1.00 72.22 H new ATOM 0 HA ASN A 22 -5.283 -7.790 -16.686 1.00 70.35 H new ATOM 0 HB2 ASN A 22 -4.619 -10.361 -15.202 1.00 23.53 H new ATOM 0 HB3 ASN A 22 -5.648 -9.056 -14.646 1.00 23.53 H new ATOM 0 HD21 ASN A 22 -8.180 -9.903 -17.300 1.00 44.23 H new ATOM 0 HD22 ASN A 22 -7.161 -8.505 -16.939 1.00 44.23 H new ATOM 351 N ILE A 23 -2.539 -7.426 -16.669 1.00 52.32 N ATOM 352 CA ILE A 23 -1.274 -6.879 -16.194 1.00 53.54 C ATOM 353 C ILE A 23 -1.386 -5.380 -15.936 1.00 51.22 C ATOM 354 O ILE A 23 -1.745 -4.610 -16.827 1.00 54.13 O ATOM 355 CB ILE A 23 -0.138 -7.131 -17.203 1.00 22.14 C ATOM 356 CG1 ILE A 23 -0.148 -8.591 -17.661 1.00 53.21 C ATOM 357 CG2 ILE A 23 1.206 -6.773 -16.586 1.00 63.42 C ATOM 358 CD1 ILE A 23 0.139 -9.575 -16.549 1.00 63.43 C ATOM 0 H ILE A 23 -2.747 -7.221 -17.646 1.00 52.32 H new ATOM 0 HA ILE A 23 -1.040 -7.390 -15.260 1.00 53.54 H new ATOM 0 HB ILE A 23 -0.297 -6.496 -18.074 1.00 22.14 H new ATOM 0 HG12 ILE A 23 -1.121 -8.820 -18.096 1.00 53.21 H new ATOM 0 HG13 ILE A 23 0.593 -8.721 -18.450 1.00 53.21 H new ATOM 0 HG21 ILE A 23 1.999 -6.956 -17.311 1.00 63.42 H new ATOM 0 HG22 ILE A 23 1.208 -5.720 -16.304 1.00 63.42 H new ATOM 0 HG23 ILE A 23 1.375 -7.386 -15.701 1.00 63.42 H new ATOM 0 HD11 ILE A 23 0.116 -10.590 -16.946 1.00 63.43 H new ATOM 0 HD12 ILE A 23 1.124 -9.372 -16.129 1.00 63.43 H new ATOM 0 HD13 ILE A 23 -0.616 -9.473 -15.769 1.00 63.43 H new ATOM 370 N LYS A 24 -1.074 -4.971 -14.711 1.00 71.20 N ATOM 371 CA LYS A 24 -1.136 -3.564 -14.334 1.00 61.03 C ATOM 372 C LYS A 24 -0.065 -2.758 -15.063 1.00 75.24 C ATOM 373 O LYS A 24 -0.089 -1.527 -15.057 1.00 53.43 O ATOM 374 CB LYS A 24 -0.962 -3.412 -12.822 1.00 0.35 C ATOM 375 CG LYS A 24 0.188 -4.227 -12.256 1.00 71.32 C ATOM 376 CD LYS A 24 0.639 -3.695 -10.906 1.00 54.24 C ATOM 377 CE LYS A 24 -0.488 -3.738 -9.886 1.00 32.14 C ATOM 378 NZ LYS A 24 -1.019 -5.117 -9.704 1.00 20.54 N ATOM 0 H LYS A 24 -0.775 -5.595 -13.961 1.00 71.20 H new ATOM 0 HA LYS A 24 -2.114 -3.179 -14.622 1.00 61.03 H new ATOM 0 HB2 LYS A 24 -0.800 -2.360 -12.588 1.00 0.35 H new ATOM 0 HB3 LYS A 24 -1.886 -3.711 -12.327 1.00 0.35 H new ATOM 0 HG2 LYS A 24 -0.119 -5.268 -12.154 1.00 71.32 H new ATOM 0 HG3 LYS A 24 1.026 -4.209 -12.953 1.00 71.32 H new ATOM 0 HD2 LYS A 24 1.481 -4.285 -10.544 1.00 54.24 H new ATOM 0 HD3 LYS A 24 0.992 -2.670 -11.017 1.00 54.24 H new ATOM 0 HE2 LYS A 24 -0.127 -3.359 -8.930 1.00 32.14 H new ATOM 0 HE3 LYS A 24 -1.294 -3.078 -10.207 1.00 32.14 H new ATOM 0 HZ1 LYS A 24 -1.622 -5.148 -8.857 1.00 20.54 H new ATOM 0 HZ2 LYS A 24 -1.579 -5.386 -10.538 1.00 20.54 H new ATOM 0 HZ3 LYS A 24 -0.227 -5.782 -9.589 1.00 20.54 H new ATOM 392 N LEU A 25 0.871 -3.460 -15.692 1.00 3.24 N ATOM 393 CA LEU A 25 1.950 -2.809 -16.427 1.00 61.33 C ATOM 394 C LEU A 25 2.791 -1.935 -15.502 1.00 33.51 C ATOM 395 O LEU A 25 3.535 -1.068 -15.958 1.00 3.11 O ATOM 396 CB LEU A 25 1.379 -1.963 -17.567 1.00 22.42 C ATOM 397 CG LEU A 25 1.261 -2.658 -18.924 1.00 51.30 C ATOM 398 CD1 LEU A 25 0.261 -1.931 -19.810 1.00 35.42 C ATOM 399 CD2 LEU A 25 2.620 -2.735 -19.604 1.00 22.23 C ATOM 0 H LEU A 25 0.905 -4.479 -15.708 1.00 3.24 H new ATOM 0 HA LEU A 25 2.591 -3.585 -16.844 1.00 61.33 H new ATOM 0 HB2 LEU A 25 0.389 -1.613 -17.273 1.00 22.42 H new ATOM 0 HB3 LEU A 25 2.006 -1.080 -17.687 1.00 22.42 H new ATOM 0 HG LEU A 25 0.901 -3.674 -18.760 1.00 51.30 H new ATOM 0 HD11 LEU A 25 0.190 -2.439 -20.772 1.00 35.42 H new ATOM 0 HD12 LEU A 25 -0.717 -1.927 -19.328 1.00 35.42 H new ATOM 0 HD13 LEU A 25 0.592 -0.904 -19.966 1.00 35.42 H new ATOM 0 HD21 LEU A 25 2.517 -3.233 -20.568 1.00 22.23 H new ATOM 0 HD22 LEU A 25 3.009 -1.728 -19.755 1.00 22.23 H new ATOM 0 HD23 LEU A 25 3.309 -3.300 -18.976 1.00 22.23 H new ATOM 411 N SER A 26 2.667 -2.172 -14.200 1.00 24.03 N ATOM 412 CA SER A 26 3.415 -1.405 -13.209 1.00 74.55 C ATOM 413 C SER A 26 4.298 -2.321 -12.367 1.00 72.02 C ATOM 414 O SER A 26 5.158 -1.855 -11.621 1.00 20.43 O ATOM 415 CB SER A 26 2.456 -0.629 -12.305 1.00 33.33 C ATOM 416 OG SER A 26 3.003 -0.459 -11.009 1.00 0.42 O ATOM 0 H SER A 26 2.056 -2.888 -13.806 1.00 24.03 H new ATOM 0 HA SER A 26 4.055 -0.699 -13.738 1.00 74.55 H new ATOM 0 HB2 SER A 26 2.245 0.346 -12.745 1.00 33.33 H new ATOM 0 HB3 SER A 26 1.507 -1.160 -12.236 1.00 33.33 H new ATOM 0 HG SER A 26 3.969 -0.620 -11.038 1.00 0.42 H new ATOM 422 N GLU A 27 4.077 -3.626 -12.494 1.00 4.12 N ATOM 423 CA GLU A 27 4.852 -4.607 -11.744 1.00 25.14 C ATOM 424 C GLU A 27 6.050 -5.091 -12.556 1.00 41.12 C ATOM 425 O GLU A 27 7.088 -5.449 -12.000 1.00 22.21 O ATOM 426 CB GLU A 27 3.972 -5.797 -11.355 1.00 52.42 C ATOM 427 CG GLU A 27 4.570 -6.665 -10.262 1.00 21.44 C ATOM 428 CD GLU A 27 4.416 -6.055 -8.882 1.00 33.40 C ATOM 429 OE1 GLU A 27 3.339 -5.488 -8.602 1.00 33.30 O ATOM 430 OE2 GLU A 27 5.371 -6.145 -8.083 1.00 11.22 O ATOM 0 H GLU A 27 3.369 -4.028 -13.108 1.00 4.12 H new ATOM 0 HA GLU A 27 5.220 -4.125 -10.838 1.00 25.14 H new ATOM 0 HB2 GLU A 27 3.002 -5.427 -11.023 1.00 52.42 H new ATOM 0 HB3 GLU A 27 3.794 -6.411 -12.238 1.00 52.42 H new ATOM 0 HG2 GLU A 27 4.091 -7.644 -10.278 1.00 21.44 H new ATOM 0 HG3 GLU A 27 5.628 -6.825 -10.468 1.00 21.44 H new ATOM 437 N VAL A 28 5.898 -5.099 -13.877 1.00 15.33 N ATOM 438 CA VAL A 28 6.965 -5.538 -14.767 1.00 44.41 C ATOM 439 C VAL A 28 8.275 -4.824 -14.448 1.00 74.34 C ATOM 440 O VAL A 28 8.277 -3.676 -14.006 1.00 15.35 O ATOM 441 CB VAL A 28 6.604 -5.288 -16.243 1.00 54.13 C ATOM 442 CG1 VAL A 28 7.666 -5.875 -17.160 1.00 51.42 C ATOM 443 CG2 VAL A 28 5.234 -5.868 -16.561 1.00 73.01 C ATOM 0 H VAL A 28 5.045 -4.806 -14.354 1.00 15.33 H new ATOM 0 HA VAL A 28 7.089 -6.609 -14.608 1.00 44.41 H new ATOM 0 HB VAL A 28 6.567 -4.212 -16.413 1.00 54.13 H new ATOM 0 HG11 VAL A 28 7.393 -5.688 -18.199 1.00 51.42 H new ATOM 0 HG12 VAL A 28 8.628 -5.409 -16.948 1.00 51.42 H new ATOM 0 HG13 VAL A 28 7.739 -6.949 -16.991 1.00 51.42 H new ATOM 0 HG21 VAL A 28 4.994 -5.682 -17.608 1.00 73.01 H new ATOM 0 HG22 VAL A 28 5.242 -6.942 -16.375 1.00 73.01 H new ATOM 0 HG23 VAL A 28 4.483 -5.396 -15.928 1.00 73.01 H new ATOM 453 N VAL A 29 9.388 -5.513 -14.677 1.00 43.03 N ATOM 454 CA VAL A 29 10.706 -4.945 -14.416 1.00 74.13 C ATOM 455 C VAL A 29 11.030 -3.832 -15.406 1.00 61.02 C ATOM 456 O VAL A 29 11.683 -4.062 -16.423 1.00 63.20 O ATOM 457 CB VAL A 29 11.805 -6.021 -14.491 1.00 44.34 C ATOM 458 CG1 VAL A 29 13.133 -5.463 -14.001 1.00 13.32 C ATOM 459 CG2 VAL A 29 11.405 -7.249 -13.688 1.00 54.13 C ATOM 0 H VAL A 29 9.404 -6.465 -15.043 1.00 43.03 H new ATOM 0 HA VAL A 29 10.680 -4.533 -13.407 1.00 74.13 H new ATOM 0 HB VAL A 29 11.925 -6.320 -15.532 1.00 44.34 H new ATOM 0 HG11 VAL A 29 13.898 -6.238 -14.061 1.00 13.32 H new ATOM 0 HG12 VAL A 29 13.424 -4.617 -14.623 1.00 13.32 H new ATOM 0 HG13 VAL A 29 13.030 -5.134 -12.967 1.00 13.32 H new ATOM 0 HG21 VAL A 29 12.194 -7.999 -13.753 1.00 54.13 H new ATOM 0 HG22 VAL A 29 11.255 -6.969 -12.645 1.00 54.13 H new ATOM 0 HG23 VAL A 29 10.479 -7.661 -14.090 1.00 54.13 H new ATOM 469 N GLY A 30 10.569 -2.623 -15.101 1.00 1.31 N ATOM 470 CA GLY A 30 10.821 -1.491 -15.974 1.00 13.14 C ATOM 471 C GLY A 30 11.012 -0.198 -15.206 1.00 22.02 C ATOM 472 O GLY A 30 10.858 -0.165 -13.985 1.00 1.41 O ATOM 0 H GLY A 30 10.026 -2.407 -14.265 1.00 1.31 H new ATOM 0 HA2 GLY A 30 11.710 -1.689 -16.573 1.00 13.14 H new ATOM 0 HA3 GLY A 30 9.988 -1.378 -16.668 1.00 13.14 H new ATOM 476 N SER A 31 11.351 0.869 -15.922 1.00 13.30 N ATOM 477 CA SER A 31 11.569 2.170 -15.299 1.00 61.34 C ATOM 478 C SER A 31 10.529 3.180 -15.773 1.00 41.43 C ATOM 479 O SER A 31 10.358 4.240 -15.172 1.00 50.13 O ATOM 480 CB SER A 31 12.976 2.681 -15.617 1.00 54.12 C ATOM 481 OG SER A 31 13.870 1.606 -15.845 1.00 31.30 O ATOM 0 H SER A 31 11.481 0.859 -16.934 1.00 13.30 H new ATOM 0 HA SER A 31 11.468 2.051 -14.220 1.00 61.34 H new ATOM 0 HB2 SER A 31 12.943 3.323 -16.497 1.00 54.12 H new ATOM 0 HB3 SER A 31 13.340 3.292 -14.791 1.00 54.12 H new ATOM 0 HG SER A 31 14.761 1.959 -16.048 1.00 31.30 H new ATOM 487 N GLY A 32 9.836 2.843 -16.857 1.00 42.41 N ATOM 488 CA GLY A 32 8.822 3.731 -17.395 1.00 34.05 C ATOM 489 C GLY A 32 9.352 5.126 -17.658 1.00 44.10 C ATOM 490 O GLY A 32 8.829 6.108 -17.131 1.00 31.11 O ATOM 0 H GLY A 32 9.959 1.971 -17.372 1.00 42.41 H new ATOM 0 HA2 GLY A 32 8.433 3.313 -18.323 1.00 34.05 H new ATOM 0 HA3 GLY A 32 7.987 3.789 -16.697 1.00 34.05 H new ATOM 494 N LYS A 33 10.396 5.216 -18.475 1.00 64.30 N ATOM 495 CA LYS A 33 11.000 6.501 -18.808 1.00 70.40 C ATOM 496 C LYS A 33 10.934 6.760 -20.310 1.00 20.23 C ATOM 497 O LYS A 33 10.265 7.690 -20.760 1.00 3.32 O ATOM 498 CB LYS A 33 12.455 6.541 -18.336 1.00 42.32 C ATOM 499 CG LYS A 33 12.605 6.793 -16.846 1.00 35.23 C ATOM 500 CD LYS A 33 14.066 6.838 -16.431 1.00 72.14 C ATOM 501 CE LYS A 33 14.217 6.825 -14.918 1.00 13.40 C ATOM 502 NZ LYS A 33 15.535 7.369 -14.487 1.00 75.05 N ATOM 0 H LYS A 33 10.842 4.413 -18.919 1.00 64.30 H new ATOM 0 HA LYS A 33 10.437 7.282 -18.297 1.00 70.40 H new ATOM 0 HB2 LYS A 33 12.935 5.595 -18.586 1.00 42.32 H new ATOM 0 HB3 LYS A 33 12.984 7.321 -18.883 1.00 42.32 H new ATOM 0 HG2 LYS A 33 12.123 7.735 -16.585 1.00 35.23 H new ATOM 0 HG3 LYS A 33 12.092 6.008 -16.290 1.00 35.23 H new ATOM 0 HD2 LYS A 33 14.593 5.984 -16.857 1.00 72.14 H new ATOM 0 HD3 LYS A 33 14.533 7.736 -16.836 1.00 72.14 H new ATOM 0 HE2 LYS A 33 13.417 7.413 -14.468 1.00 13.40 H new ATOM 0 HE3 LYS A 33 14.108 5.804 -14.551 1.00 13.40 H new ATOM 0 HZ1 LYS A 33 15.599 7.343 -13.449 1.00 75.05 H new ATOM 0 HZ2 LYS A 33 16.299 6.793 -14.895 1.00 75.05 H new ATOM 0 HZ3 LYS A 33 15.629 8.351 -14.815 1.00 75.05 H new ATOM 516 N ASP A 34 11.630 5.931 -21.080 1.00 23.14 N ATOM 517 CA ASP A 34 11.649 6.069 -22.531 1.00 55.12 C ATOM 518 C ASP A 34 11.400 4.725 -23.208 1.00 71.22 C ATOM 519 O ASP A 34 12.110 4.346 -24.139 1.00 1.04 O ATOM 520 CB ASP A 34 12.987 6.647 -22.993 1.00 62.11 C ATOM 521 CG ASP A 34 12.847 7.520 -24.224 1.00 51.24 C ATOM 522 OD1 ASP A 34 12.163 7.095 -25.179 1.00 62.22 O ATOM 523 OD2 ASP A 34 13.420 8.629 -24.233 1.00 0.51 O ATOM 0 H ASP A 34 12.189 5.156 -20.723 1.00 23.14 H new ATOM 0 HA ASP A 34 10.850 6.753 -22.816 1.00 55.12 H new ATOM 0 HB2 ASP A 34 13.425 7.232 -22.184 1.00 62.11 H new ATOM 0 HB3 ASP A 34 13.677 5.831 -23.207 1.00 62.11 H new ATOM 528 N GLY A 35 10.386 4.007 -22.733 1.00 43.03 N ATOM 529 CA GLY A 35 10.063 2.712 -23.304 1.00 12.34 C ATOM 530 C GLY A 35 10.880 1.590 -22.695 1.00 44.22 C ATOM 531 O GLY A 35 11.219 0.621 -23.375 1.00 1.13 O ATOM 0 H GLY A 35 9.783 4.299 -21.964 1.00 43.03 H new ATOM 0 HA2 GLY A 35 9.003 2.507 -23.156 1.00 12.34 H new ATOM 0 HA3 GLY A 35 10.235 2.740 -24.380 1.00 12.34 H new ATOM 535 N ARG A 36 11.200 1.721 -21.412 1.00 13.42 N ATOM 536 CA ARG A 36 11.985 0.712 -20.713 1.00 24.41 C ATOM 537 C ARG A 36 11.263 -0.632 -20.708 1.00 72.32 C ATOM 538 O ARG A 36 11.885 -1.683 -20.869 1.00 14.10 O ATOM 539 CB ARG A 36 12.266 1.157 -19.276 1.00 52.05 C ATOM 540 CG ARG A 36 13.579 1.905 -19.116 1.00 63.21 C ATOM 541 CD ARG A 36 14.772 0.976 -19.279 1.00 5.20 C ATOM 542 NE ARG A 36 14.948 0.103 -18.122 1.00 21.41 N ATOM 543 CZ ARG A 36 15.914 -0.805 -18.026 1.00 14.32 C ATOM 544 NH1 ARG A 36 16.786 -0.956 -19.013 1.00 30.23 N ATOM 545 NH2 ARG A 36 16.008 -1.562 -16.941 1.00 22.34 N ATOM 0 H ARG A 36 10.927 2.517 -20.835 1.00 13.42 H new ATOM 0 HA ARG A 36 12.931 0.595 -21.241 1.00 24.41 H new ATOM 0 HB2 ARG A 36 11.450 1.795 -18.936 1.00 52.05 H new ATOM 0 HB3 ARG A 36 12.276 0.280 -18.628 1.00 52.05 H new ATOM 0 HG2 ARG A 36 13.636 2.705 -19.854 1.00 63.21 H new ATOM 0 HG3 ARG A 36 13.614 2.375 -18.133 1.00 63.21 H new ATOM 0 HD2 ARG A 36 14.639 0.369 -20.174 1.00 5.20 H new ATOM 0 HD3 ARG A 36 15.675 1.568 -19.427 1.00 5.20 H new ATOM 0 HE ARG A 36 14.294 0.195 -17.345 1.00 21.41 H new ATOM 0 HH11 ARG A 36 16.717 -0.375 -19.848 1.00 30.23 H new ATOM 0 HH12 ARG A 36 17.526 -1.653 -18.937 1.00 30.23 H new ATOM 0 HH21 ARG A 36 15.339 -1.448 -16.180 1.00 22.34 H new ATOM 0 HH22 ARG A 36 16.749 -2.259 -16.868 1.00 22.34 H new ATOM 559 N ILE A 37 9.948 -0.590 -20.522 1.00 72.45 N ATOM 560 CA ILE A 37 9.141 -1.804 -20.497 1.00 63.34 C ATOM 561 C ILE A 37 8.989 -2.392 -21.896 1.00 54.23 C ATOM 562 O ILE A 37 8.039 -2.075 -22.614 1.00 61.43 O ATOM 563 CB ILE A 37 7.743 -1.539 -19.909 1.00 21.22 C ATOM 564 CG1 ILE A 37 7.855 -0.728 -18.616 1.00 64.40 C ATOM 565 CG2 ILE A 37 7.017 -2.852 -19.656 1.00 23.14 C ATOM 566 CD1 ILE A 37 6.518 -0.394 -17.994 1.00 75.32 C ATOM 0 H ILE A 37 9.419 0.271 -20.386 1.00 72.45 H new ATOM 0 HA ILE A 37 9.664 -2.517 -19.860 1.00 63.34 H new ATOM 0 HB ILE A 37 7.166 -0.960 -20.630 1.00 21.22 H new ATOM 0 HG12 ILE A 37 8.452 -1.288 -17.896 1.00 64.40 H new ATOM 0 HG13 ILE A 37 8.392 0.198 -18.823 1.00 64.40 H new ATOM 0 HG21 ILE A 37 6.030 -2.648 -19.240 1.00 23.14 H new ATOM 0 HG22 ILE A 37 6.910 -3.395 -20.595 1.00 23.14 H new ATOM 0 HG23 ILE A 37 7.590 -3.455 -18.951 1.00 23.14 H new ATOM 0 HD11 ILE A 37 6.675 0.181 -17.082 1.00 75.32 H new ATOM 0 HD12 ILE A 37 5.927 0.193 -18.696 1.00 75.32 H new ATOM 0 HD13 ILE A 37 5.987 -1.316 -17.755 1.00 75.32 H new ATOM 578 N LEU A 38 9.928 -3.250 -22.277 1.00 63.12 N ATOM 579 CA LEU A 38 9.898 -3.885 -23.590 1.00 51.34 C ATOM 580 C LEU A 38 9.327 -5.296 -23.500 1.00 22.30 C ATOM 581 O LEU A 38 9.055 -5.799 -22.410 1.00 33.04 O ATOM 582 CB LEU A 38 11.304 -3.928 -24.190 1.00 65.51 C ATOM 583 CG LEU A 38 11.718 -2.713 -25.021 1.00 60.30 C ATOM 584 CD1 LEU A 38 13.231 -2.562 -25.029 1.00 63.45 C ATOM 585 CD2 LEU A 38 11.184 -2.831 -26.441 1.00 60.51 C ATOM 0 H LEU A 38 10.720 -3.522 -21.695 1.00 63.12 H new ATOM 0 HA LEU A 38 9.252 -3.293 -24.238 1.00 51.34 H new ATOM 0 HB2 LEU A 38 12.020 -4.048 -23.377 1.00 65.51 H new ATOM 0 HB3 LEU A 38 11.382 -4.816 -24.818 1.00 65.51 H new ATOM 0 HG LEU A 38 11.287 -1.821 -24.565 1.00 60.30 H new ATOM 0 HD11 LEU A 38 13.507 -1.692 -25.625 1.00 63.45 H new ATOM 0 HD12 LEU A 38 13.589 -2.430 -24.008 1.00 63.45 H new ATOM 0 HD13 LEU A 38 13.684 -3.455 -25.460 1.00 63.45 H new ATOM 0 HD21 LEU A 38 11.488 -1.958 -27.018 1.00 60.51 H new ATOM 0 HD22 LEU A 38 11.585 -3.731 -26.907 1.00 60.51 H new ATOM 0 HD23 LEU A 38 10.096 -2.889 -26.417 1.00 60.51 H new ATOM 597 N LYS A 39 9.150 -5.932 -24.653 1.00 63.31 N ATOM 598 CA LYS A 39 8.616 -7.288 -24.706 1.00 15.24 C ATOM 599 C LYS A 39 9.432 -8.229 -23.827 1.00 25.53 C ATOM 600 O LYS A 39 8.904 -9.198 -23.282 1.00 24.12 O ATOM 601 CB LYS A 39 8.606 -7.799 -26.148 1.00 42.10 C ATOM 602 CG LYS A 39 7.756 -9.042 -26.347 1.00 44.03 C ATOM 603 CD LYS A 39 6.287 -8.692 -26.513 1.00 30.45 C ATOM 604 CE LYS A 39 5.533 -9.789 -27.249 1.00 15.22 C ATOM 605 NZ LYS A 39 4.302 -9.269 -27.907 1.00 61.35 N ATOM 0 H LYS A 39 9.369 -5.530 -25.564 1.00 63.31 H new ATOM 0 HA LYS A 39 7.593 -7.264 -24.329 1.00 15.24 H new ATOM 0 HB2 LYS A 39 8.238 -7.009 -26.802 1.00 42.10 H new ATOM 0 HB3 LYS A 39 9.629 -8.016 -26.455 1.00 42.10 H new ATOM 0 HG2 LYS A 39 8.103 -9.584 -27.226 1.00 44.03 H new ATOM 0 HG3 LYS A 39 7.878 -9.708 -25.493 1.00 44.03 H new ATOM 0 HD2 LYS A 39 5.837 -8.534 -25.533 1.00 30.45 H new ATOM 0 HD3 LYS A 39 6.195 -7.755 -27.061 1.00 30.45 H new ATOM 0 HE2 LYS A 39 6.184 -10.237 -27.999 1.00 15.22 H new ATOM 0 HE3 LYS A 39 5.264 -10.579 -26.547 1.00 15.22 H new ATOM 0 HZ1 LYS A 39 3.490 -9.862 -27.642 1.00 61.35 H new ATOM 0 HZ2 LYS A 39 4.131 -8.290 -27.600 1.00 61.35 H new ATOM 0 HZ3 LYS A 39 4.424 -9.292 -28.940 1.00 61.35 H new ATOM 619 N GLU A 40 10.722 -7.937 -23.693 1.00 4.12 N ATOM 620 CA GLU A 40 11.611 -8.758 -22.879 1.00 72.30 C ATOM 621 C GLU A 40 11.172 -8.751 -21.417 1.00 42.55 C ATOM 622 O GLU A 40 11.299 -9.754 -20.715 1.00 13.40 O ATOM 623 CB GLU A 40 13.052 -8.257 -22.993 1.00 60.21 C ATOM 624 CG GLU A 40 13.235 -6.820 -22.534 1.00 70.40 C ATOM 625 CD GLU A 40 14.412 -6.139 -23.205 1.00 53.10 C ATOM 626 OE1 GLU A 40 14.552 -6.274 -24.438 1.00 50.04 O ATOM 627 OE2 GLU A 40 15.192 -5.470 -22.496 1.00 3.12 O ATOM 0 H GLU A 40 11.175 -7.138 -24.137 1.00 4.12 H new ATOM 0 HA GLU A 40 11.560 -9.781 -23.251 1.00 72.30 H new ATOM 0 HB2 GLU A 40 13.700 -8.904 -22.402 1.00 60.21 H new ATOM 0 HB3 GLU A 40 13.376 -8.342 -24.030 1.00 60.21 H new ATOM 0 HG2 GLU A 40 12.326 -6.257 -22.744 1.00 70.40 H new ATOM 0 HG3 GLU A 40 13.378 -6.803 -21.454 1.00 70.40 H new ATOM 634 N ASP A 41 10.657 -7.612 -20.967 1.00 21.02 N ATOM 635 CA ASP A 41 10.199 -7.472 -19.589 1.00 60.43 C ATOM 636 C ASP A 41 8.810 -8.079 -19.414 1.00 43.04 C ATOM 637 O ASP A 41 8.531 -8.737 -18.411 1.00 45.53 O ATOM 638 CB ASP A 41 10.180 -5.998 -19.183 1.00 21.14 C ATOM 639 CG ASP A 41 11.412 -5.252 -19.654 1.00 44.43 C ATOM 640 OD1 ASP A 41 11.522 -4.996 -20.872 1.00 52.10 O ATOM 641 OD2 ASP A 41 12.267 -4.922 -18.806 1.00 20.23 O ATOM 0 H ASP A 41 10.546 -6.773 -21.536 1.00 21.02 H new ATOM 0 HA ASP A 41 10.894 -8.009 -18.944 1.00 60.43 H new ATOM 0 HB2 ASP A 41 9.291 -5.522 -19.596 1.00 21.14 H new ATOM 0 HB3 ASP A 41 10.107 -5.924 -18.098 1.00 21.14 H new ATOM 646 N ILE A 42 7.944 -7.853 -20.396 1.00 15.33 N ATOM 647 CA ILE A 42 6.584 -8.377 -20.350 1.00 2.13 C ATOM 648 C ILE A 42 6.578 -9.898 -20.451 1.00 61.41 C ATOM 649 O ILE A 42 6.022 -10.587 -19.594 1.00 52.42 O ATOM 650 CB ILE A 42 5.718 -7.795 -21.482 1.00 13.30 C ATOM 651 CG1 ILE A 42 5.671 -6.268 -21.385 1.00 33.55 C ATOM 652 CG2 ILE A 42 4.314 -8.378 -21.428 1.00 15.24 C ATOM 653 CD1 ILE A 42 4.991 -5.764 -20.131 1.00 51.30 C ATOM 0 H ILE A 42 8.159 -7.311 -21.233 1.00 15.33 H new ATOM 0 HA ILE A 42 6.162 -8.077 -19.391 1.00 2.13 H new ATOM 0 HB ILE A 42 6.166 -8.066 -22.438 1.00 13.30 H new ATOM 0 HG12 ILE A 42 6.688 -5.878 -21.419 1.00 33.55 H new ATOM 0 HG13 ILE A 42 5.149 -5.872 -22.256 1.00 33.55 H new ATOM 0 HG21 ILE A 42 3.714 -7.957 -22.235 1.00 15.24 H new ATOM 0 HG22 ILE A 42 4.365 -9.461 -21.541 1.00 15.24 H new ATOM 0 HG23 ILE A 42 3.856 -8.135 -20.470 1.00 15.24 H new ATOM 0 HD11 ILE A 42 4.994 -4.674 -20.129 1.00 51.30 H new ATOM 0 HD12 ILE A 42 3.963 -6.124 -20.105 1.00 51.30 H new ATOM 0 HD13 ILE A 42 5.526 -6.130 -19.255 1.00 51.30 H new ATOM 665 N LEU A 43 7.202 -10.418 -21.503 1.00 33.14 N ATOM 666 CA LEU A 43 7.271 -11.860 -21.716 1.00 15.41 C ATOM 667 C LEU A 43 7.855 -12.564 -20.495 1.00 54.53 C ATOM 668 O LEU A 43 7.428 -13.660 -20.135 1.00 53.44 O ATOM 669 CB LEU A 43 8.115 -12.172 -22.952 1.00 65.41 C ATOM 670 CG LEU A 43 7.695 -13.401 -23.759 1.00 62.40 C ATOM 671 CD1 LEU A 43 6.384 -13.141 -24.485 1.00 4.23 C ATOM 672 CD2 LEU A 43 8.786 -13.789 -24.747 1.00 31.32 C ATOM 0 H LEU A 43 7.667 -9.863 -22.221 1.00 33.14 H new ATOM 0 HA LEU A 43 6.257 -12.228 -21.873 1.00 15.41 H new ATOM 0 HB2 LEU A 43 8.092 -11.304 -23.611 1.00 65.41 H new ATOM 0 HB3 LEU A 43 9.150 -12.306 -22.636 1.00 65.41 H new ATOM 0 HG LEU A 43 7.546 -14.231 -23.069 1.00 62.40 H new ATOM 0 HD11 LEU A 43 6.101 -14.027 -25.054 1.00 4.23 H new ATOM 0 HD12 LEU A 43 5.605 -12.913 -23.758 1.00 4.23 H new ATOM 0 HD13 LEU A 43 6.505 -12.297 -25.164 1.00 4.23 H new ATOM 0 HD21 LEU A 43 8.470 -14.666 -25.313 1.00 31.32 H new ATOM 0 HD22 LEU A 43 8.967 -12.961 -25.432 1.00 31.32 H new ATOM 0 HD23 LEU A 43 9.703 -14.019 -24.205 1.00 31.32 H new ATOM 684 N ASN A 44 8.832 -11.924 -19.861 1.00 63.14 N ATOM 685 CA ASN A 44 9.474 -12.488 -18.680 1.00 21.34 C ATOM 686 C ASN A 44 8.581 -12.339 -17.452 1.00 12.22 C ATOM 687 O ASN A 44 8.650 -13.140 -16.519 1.00 41.14 O ATOM 688 CB ASN A 44 10.821 -11.806 -18.430 1.00 72.33 C ATOM 689 CG ASN A 44 11.528 -12.353 -17.205 1.00 15.32 C ATOM 690 OD1 ASN A 44 11.576 -11.702 -16.161 1.00 33.12 O ATOM 691 ND2 ASN A 44 12.080 -13.554 -17.327 1.00 44.22 N ATOM 0 H ASN A 44 9.196 -11.015 -20.145 1.00 63.14 H new ATOM 0 HA ASN A 44 9.640 -13.550 -18.861 1.00 21.34 H new ATOM 0 HB2 ASN A 44 11.459 -11.938 -19.304 1.00 72.33 H new ATOM 0 HB3 ASN A 44 10.665 -10.734 -18.308 1.00 72.33 H new ATOM 0 HD21 ASN A 44 12.569 -13.973 -16.536 1.00 44.22 H new ATOM 0 HD22 ASN A 44 12.015 -14.057 -18.212 1.00 44.22 H new ATOM 698 N TYR A 45 7.742 -11.309 -17.459 1.00 43.52 N ATOM 699 CA TYR A 45 6.836 -11.052 -16.346 1.00 23.51 C ATOM 700 C TYR A 45 5.665 -12.030 -16.361 1.00 22.14 C ATOM 701 O TYR A 45 5.399 -12.714 -15.371 1.00 52.41 O ATOM 702 CB TYR A 45 6.316 -9.615 -16.405 1.00 21.24 C ATOM 703 CG TYR A 45 5.296 -9.296 -15.335 1.00 72.52 C ATOM 704 CD1 TYR A 45 5.671 -9.178 -14.003 1.00 23.34 C ATOM 705 CD2 TYR A 45 3.957 -9.114 -15.657 1.00 35.41 C ATOM 706 CE1 TYR A 45 4.743 -8.888 -13.022 1.00 14.11 C ATOM 707 CE2 TYR A 45 3.021 -8.822 -14.683 1.00 63.31 C ATOM 708 CZ TYR A 45 3.419 -8.710 -13.367 1.00 61.32 C ATOM 709 OH TYR A 45 2.490 -8.421 -12.394 1.00 42.20 O ATOM 0 H TYR A 45 7.671 -10.638 -18.224 1.00 43.52 H new ATOM 0 HA TYR A 45 7.391 -11.192 -15.419 1.00 23.51 H new ATOM 0 HB2 TYR A 45 7.157 -8.929 -16.309 1.00 21.24 H new ATOM 0 HB3 TYR A 45 5.871 -9.439 -17.384 1.00 21.24 H new ATOM 0 HD1 TYR A 45 6.707 -9.315 -13.729 1.00 23.34 H new ATOM 0 HD2 TYR A 45 3.642 -9.202 -16.686 1.00 35.41 H new ATOM 0 HE1 TYR A 45 5.052 -8.801 -11.991 1.00 14.11 H new ATOM 0 HE2 TYR A 45 1.984 -8.682 -14.951 1.00 63.31 H new ATOM 0 HH TYR A 45 1.605 -8.325 -12.805 1.00 42.20 H new ATOM 719 N LEU A 46 4.969 -12.092 -17.490 1.00 51.23 N ATOM 720 CA LEU A 46 3.826 -12.986 -17.637 1.00 33.14 C ATOM 721 C LEU A 46 4.195 -14.411 -17.237 1.00 34.20 C ATOM 722 O LEU A 46 3.351 -15.170 -16.761 1.00 70.11 O ATOM 723 CB LEU A 46 3.317 -12.964 -19.079 1.00 63.11 C ATOM 724 CG LEU A 46 2.940 -11.591 -19.637 1.00 31.31 C ATOM 725 CD1 LEU A 46 2.723 -11.667 -21.140 1.00 64.23 C ATOM 726 CD2 LEU A 46 1.695 -11.058 -18.943 1.00 41.42 C ATOM 0 H LEU A 46 5.176 -11.533 -18.318 1.00 51.23 H new ATOM 0 HA LEU A 46 3.035 -12.635 -16.975 1.00 33.14 H new ATOM 0 HB2 LEU A 46 4.085 -13.396 -19.721 1.00 63.11 H new ATOM 0 HB3 LEU A 46 2.444 -13.613 -19.145 1.00 63.11 H new ATOM 0 HG LEU A 46 3.763 -10.903 -19.444 1.00 31.31 H new ATOM 0 HD11 LEU A 46 2.456 -10.681 -21.519 1.00 64.23 H new ATOM 0 HD12 LEU A 46 3.640 -12.005 -21.623 1.00 64.23 H new ATOM 0 HD13 LEU A 46 1.918 -12.369 -21.356 1.00 64.23 H new ATOM 0 HD21 LEU A 46 1.441 -10.080 -19.352 1.00 41.42 H new ATOM 0 HD22 LEU A 46 0.865 -11.746 -19.105 1.00 41.42 H new ATOM 0 HD23 LEU A 46 1.886 -10.965 -17.874 1.00 41.42 H new ATOM 738 N GLU A 47 5.461 -14.766 -17.432 1.00 73.33 N ATOM 739 CA GLU A 47 5.941 -16.100 -17.091 1.00 33.14 C ATOM 740 C GLU A 47 6.020 -16.279 -15.577 1.00 42.42 C ATOM 741 O GLU A 47 5.665 -17.330 -15.045 1.00 23.42 O ATOM 742 CB GLU A 47 7.314 -16.348 -17.717 1.00 64.03 C ATOM 743 CG GLU A 47 7.249 -16.820 -19.160 1.00 51.01 C ATOM 744 CD GLU A 47 8.577 -17.356 -19.660 1.00 13.45 C ATOM 745 OE1 GLU A 47 9.406 -16.547 -20.125 1.00 4.33 O ATOM 746 OE2 GLU A 47 8.786 -18.585 -19.585 1.00 12.34 O ATOM 0 H GLU A 47 6.172 -14.149 -17.824 1.00 73.33 H new ATOM 0 HA GLU A 47 5.232 -16.826 -17.489 1.00 33.14 H new ATOM 0 HB2 GLU A 47 7.897 -15.428 -17.670 1.00 64.03 H new ATOM 0 HB3 GLU A 47 7.845 -17.092 -17.124 1.00 64.03 H new ATOM 0 HG2 GLU A 47 6.491 -17.598 -19.250 1.00 51.01 H new ATOM 0 HG3 GLU A 47 6.933 -15.992 -19.795 1.00 51.01 H new