USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 434 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 30 ASN : amide:sc= -3.44! C(o=-7!,f=-7.3!) USER MOD Set 1.2: A 41 MET CE :methyl 137:sc= -3.61! (180deg=-6.06!) USER MOD Single : A 12 MET CE :methyl -171:sc= -1.25 (180deg=-1.31) USER MOD Single : A 13 ASN : amide:sc= -5.32! K(o=-5.3!,f=-1.4) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0135 K(o=-0.013,f=-0.87) USER MOD Single : A 29 GLN : amide:sc= -0.324 X(o=-0.32,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -4.95! C(o=-4.9!,f=-3.9!) USER MOD Single : A 35 ASN : amide:sc= -1.1! C(o=-1.1!,f=-8.8!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -123:sc= -0.284 (180deg=-1.76!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0258) USER MOD ----------------------------------------------------------------- ATOM 147 N MET A 12 -1.764 5.245 -5.474 1.00 0.00 N ATOM 148 CA MET A 12 -2.411 4.316 -4.554 1.00 0.00 C ATOM 149 C MET A 12 -3.100 5.066 -3.418 1.00 0.00 C ATOM 150 O MET A 12 -2.610 6.095 -2.955 1.00 0.00 O ATOM 151 CB MET A 12 -1.387 3.333 -3.984 1.00 0.00 C ATOM 152 CG MET A 12 -0.254 3.011 -4.945 1.00 0.00 C ATOM 153 SD MET A 12 0.596 1.477 -4.528 1.00 0.00 S ATOM 154 CE MET A 12 1.223 1.870 -2.897 1.00 0.00 C ATOM 0 HA MET A 12 -3.167 3.761 -5.110 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.968 3.748 -3.067 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.896 2.408 -3.712 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.651 2.938 -5.957 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.463 3.832 -4.943 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.905 1.085 -2.570 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.755 2.821 -2.931 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.392 1.944 -2.196 1.00 0.00 H new ATOM 164 N ASN A 13 -4.238 4.543 -2.975 1.00 0.00 N ATOM 165 CA ASN A 13 -4.994 5.165 -1.893 1.00 0.00 C ATOM 166 C ASN A 13 -4.511 4.665 -0.535 1.00 0.00 C ATOM 167 O ASN A 13 -3.571 3.876 -0.451 1.00 0.00 O ATOM 168 CB ASN A 13 -6.488 4.874 -2.055 1.00 0.00 C ATOM 169 CG ASN A 13 -6.750 3.483 -2.598 1.00 0.00 C ATOM 170 OD1 ASN A 13 -6.787 3.275 -3.811 1.00 0.00 O ATOM 171 ND2 ASN A 13 -6.935 2.522 -1.700 1.00 0.00 N ATOM 0 H ASN A 13 -4.657 3.691 -3.348 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.833 6.242 -1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.984 4.984 -1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.929 5.612 -2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.116 1.566 -2.006 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.896 2.740 -0.704 1.00 0.00 H new ATOM 178 N ALA A 14 -5.162 5.132 0.526 1.00 0.00 N ATOM 179 CA ALA A 14 -4.801 4.731 1.880 1.00 0.00 C ATOM 180 C ALA A 14 -4.930 3.222 2.059 1.00 0.00 C ATOM 181 O ALA A 14 -4.087 2.587 2.693 1.00 0.00 O ATOM 182 CB ALA A 14 -5.668 5.460 2.895 1.00 0.00 C ATOM 0 H ALA A 14 -5.941 5.788 0.474 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.759 5.003 2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.387 5.151 3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.523 6.535 2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.716 5.217 2.720 1.00 0.00 H new ATOM 188 N PHE A 15 -5.992 2.653 1.497 1.00 0.00 N ATOM 189 CA PHE A 15 -6.232 1.218 1.596 1.00 0.00 C ATOM 190 C PHE A 15 -5.208 0.437 0.778 1.00 0.00 C ATOM 191 O PHE A 15 -4.672 -0.572 1.235 1.00 0.00 O ATOM 192 CB PHE A 15 -7.646 0.882 1.118 1.00 0.00 C ATOM 193 CG PHE A 15 -7.822 -0.559 0.732 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.383 -1.018 -0.500 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.426 -1.454 1.600 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.545 -2.343 -0.858 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.590 -2.780 1.248 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.148 -3.225 0.017 1.00 0.00 C ATOM 0 H PHE A 15 -6.700 3.164 0.969 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.131 0.930 2.642 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.356 1.127 1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.891 1.511 0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.909 -0.333 -1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.773 -1.111 2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.200 -2.688 -1.821 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.063 -3.467 1.934 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.274 -4.261 -0.261 1.00 0.00 H new ATOM 208 N MET A 16 -4.942 0.912 -0.435 1.00 0.00 N ATOM 209 CA MET A 16 -3.982 0.259 -1.317 1.00 0.00 C ATOM 210 C MET A 16 -2.602 0.199 -0.670 1.00 0.00 C ATOM 211 O MET A 16 -2.010 -0.873 -0.545 1.00 0.00 O ATOM 212 CB MET A 16 -3.899 1.000 -2.653 1.00 0.00 C ATOM 213 CG MET A 16 -5.011 0.631 -3.622 1.00 0.00 C ATOM 214 SD MET A 16 -4.581 -0.770 -4.672 1.00 0.00 S ATOM 215 CE MET A 16 -3.622 0.044 -5.947 1.00 0.00 C ATOM 0 H MET A 16 -5.378 1.746 -0.829 1.00 0.00 H new ATOM 0 HA MET A 16 -4.325 -0.760 -1.495 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.932 2.073 -2.467 1.00 0.00 H new ATOM 0 HB3 MET A 16 -2.937 0.787 -3.118 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.914 0.395 -3.059 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.242 1.492 -4.249 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.284 -0.694 -6.675 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.240 0.790 -6.447 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.758 0.532 -5.496 1.00 0.00 H new ATOM 225 N VAL A 17 -2.095 1.357 -0.259 1.00 0.00 N ATOM 226 CA VAL A 17 -0.785 1.436 0.376 1.00 0.00 C ATOM 227 C VAL A 17 -0.669 0.438 1.523 1.00 0.00 C ATOM 228 O VAL A 17 0.082 -0.534 1.440 1.00 0.00 O ATOM 229 CB VAL A 17 -0.505 2.852 0.913 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.890 2.930 1.513 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.678 3.884 -0.192 1.00 0.00 C ATOM 0 H VAL A 17 -2.572 2.254 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.048 1.194 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.225 3.072 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.069 3.938 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.973 2.218 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.629 2.690 0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.476 4.879 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.018 3.669 -1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.700 3.844 -0.570 1.00 0.00 H new ATOM 241 N TRP A 18 -1.419 0.684 2.591 1.00 0.00 N ATOM 242 CA TRP A 18 -1.401 -0.195 3.755 1.00 0.00 C ATOM 243 C TRP A 18 -1.507 -1.657 3.336 1.00 0.00 C ATOM 244 O TRP A 18 -0.907 -2.535 3.956 1.00 0.00 O ATOM 245 CB TRP A 18 -2.546 0.161 4.705 1.00 0.00 C ATOM 246 CG TRP A 18 -2.974 -0.983 5.574 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.566 -1.240 6.852 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.891 -2.026 5.227 1.00 0.00 C ATOM 249 NE1 TRP A 18 -3.174 -2.379 7.320 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.993 -2.880 6.343 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.639 -2.321 4.083 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.810 -4.007 6.345 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.449 -3.440 4.087 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.530 -4.272 5.212 1.00 0.00 C ATOM 0 H TRP A 18 -2.047 1.484 2.675 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.452 -0.054 4.272 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.238 0.993 5.338 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.400 0.504 4.121 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.868 -0.636 7.412 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.038 -2.786 8.245 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.584 -1.685 3.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.873 -4.650 7.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.030 -3.678 3.208 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.173 -5.139 5.184 1.00 0.00 H new ATOM 265 N ALA A 19 -2.274 -1.911 2.280 1.00 0.00 N ATOM 266 CA ALA A 19 -2.456 -3.267 1.778 1.00 0.00 C ATOM 267 C ALA A 19 -1.155 -3.820 1.205 1.00 0.00 C ATOM 268 O ALA A 19 -0.860 -5.007 1.339 1.00 0.00 O ATOM 269 CB ALA A 19 -3.553 -3.297 0.724 1.00 0.00 C ATOM 0 H ALA A 19 -2.779 -1.196 1.756 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.753 -3.900 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.678 -4.316 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.489 -2.952 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.279 -2.645 -0.105 1.00 0.00 H new ATOM 275 N LYS A 20 -0.379 -2.951 0.565 1.00 0.00 N ATOM 276 CA LYS A 20 0.891 -3.351 -0.028 1.00 0.00 C ATOM 277 C LYS A 20 1.664 -4.271 0.911 1.00 0.00 C ATOM 278 O LYS A 20 2.423 -5.132 0.465 1.00 0.00 O ATOM 279 CB LYS A 20 1.734 -2.117 -0.359 1.00 0.00 C ATOM 280 CG LYS A 20 2.474 -1.547 0.838 1.00 0.00 C ATOM 281 CD LYS A 20 2.680 -0.048 0.705 1.00 0.00 C ATOM 282 CE LYS A 20 3.926 0.274 -0.105 1.00 0.00 C ATOM 283 NZ LYS A 20 5.154 0.266 0.738 1.00 0.00 N ATOM 0 H LYS A 20 -0.608 -1.964 0.444 1.00 0.00 H new ATOM 0 HA LYS A 20 0.678 -3.896 -0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.457 -2.378 -1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.086 -1.346 -0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.913 -1.759 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.441 -2.040 0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.808 0.399 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.764 0.398 1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.034 -0.453 -0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.813 1.252 -0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.981 0.490 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.063 0.977 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.277 -0.675 1.164 1.00 0.00 H new ATOM 297 N ASP A 21 1.466 -4.084 2.211 1.00 0.00 N ATOM 298 CA ASP A 21 2.143 -4.899 3.213 1.00 0.00 C ATOM 299 C ASP A 21 1.290 -6.104 3.600 1.00 0.00 C ATOM 300 O ASP A 21 1.810 -7.125 4.046 1.00 0.00 O ATOM 301 CB ASP A 21 2.459 -4.062 4.453 1.00 0.00 C ATOM 302 CG ASP A 21 3.529 -4.695 5.321 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.341 -5.477 4.785 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.555 -4.407 6.536 1.00 0.00 O ATOM 0 H ASP A 21 0.842 -3.375 2.596 1.00 0.00 H new ATOM 0 HA ASP A 21 3.076 -5.261 2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.786 -3.069 4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.550 -3.930 5.040 1.00 0.00 H new ATOM 309 N GLU A 22 -0.021 -5.974 3.426 1.00 0.00 N ATOM 310 CA GLU A 22 -0.945 -7.052 3.759 1.00 0.00 C ATOM 311 C GLU A 22 -1.129 -7.997 2.575 1.00 0.00 C ATOM 312 O GLU A 22 -0.839 -9.189 2.668 1.00 0.00 O ATOM 313 CB GLU A 22 -2.299 -6.480 4.185 1.00 0.00 C ATOM 314 CG GLU A 22 -2.400 -6.199 5.674 1.00 0.00 C ATOM 315 CD GLU A 22 -1.370 -5.193 6.150 1.00 0.00 C ATOM 316 OE1 GLU A 22 -1.482 -4.007 5.773 1.00 0.00 O ATOM 317 OE2 GLU A 22 -0.453 -5.591 6.898 1.00 0.00 O ATOM 0 H GLU A 22 -0.467 -5.134 3.057 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.520 -7.617 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.482 -5.556 3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.085 -7.180 3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.399 -5.826 5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.274 -7.131 6.225 1.00 0.00 H new ATOM 324 N ARG A 23 -1.614 -7.454 1.463 1.00 0.00 N ATOM 325 CA ARG A 23 -1.839 -8.248 0.261 1.00 0.00 C ATOM 326 C ARG A 23 -0.635 -9.137 -0.037 1.00 0.00 C ATOM 327 O ARG A 23 -0.785 -10.279 -0.470 1.00 0.00 O ATOM 328 CB ARG A 23 -2.120 -7.335 -0.934 1.00 0.00 C ATOM 329 CG ARG A 23 -2.500 -8.087 -2.199 1.00 0.00 C ATOM 330 CD ARG A 23 -2.411 -7.193 -3.426 1.00 0.00 C ATOM 331 NE ARG A 23 -2.740 -7.914 -4.653 1.00 0.00 N ATOM 332 CZ ARG A 23 -1.945 -8.822 -5.208 1.00 0.00 C ATOM 333 NH1 ARG A 23 -0.781 -9.120 -4.648 1.00 0.00 N ATOM 334 NH2 ARG A 23 -2.315 -9.435 -6.325 1.00 0.00 N ATOM 0 H ARG A 23 -1.859 -6.468 1.370 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.706 -8.886 0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.925 -6.648 -0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.236 -6.729 -1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.841 -8.946 -2.325 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.514 -8.475 -2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.090 -6.348 -3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.404 -6.784 -3.505 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.629 -7.709 -5.109 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.494 -8.652 -3.789 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.173 -9.818 -5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.210 -9.209 -6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.704 -10.132 -6.751 1.00 0.00 H new ATOM 348 N LYS A 24 0.559 -8.604 0.198 1.00 0.00 N ATOM 349 CA LYS A 24 1.790 -9.348 -0.043 1.00 0.00 C ATOM 350 C LYS A 24 1.857 -10.591 0.838 1.00 0.00 C ATOM 351 O LYS A 24 2.402 -11.619 0.436 1.00 0.00 O ATOM 352 CB LYS A 24 3.007 -8.458 0.218 1.00 0.00 C ATOM 353 CG LYS A 24 3.329 -8.286 1.693 1.00 0.00 C ATOM 354 CD LYS A 24 4.788 -7.919 1.906 1.00 0.00 C ATOM 355 CE LYS A 24 5.649 -9.155 2.116 1.00 0.00 C ATOM 356 NZ LYS A 24 7.076 -8.902 1.773 1.00 0.00 N ATOM 0 H LYS A 24 0.701 -7.659 0.555 1.00 0.00 H new ATOM 0 HA LYS A 24 1.795 -9.664 -1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.874 -8.884 -0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.831 -7.477 -0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.692 -7.510 2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.104 -9.210 2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.154 -7.362 1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.876 -7.262 2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.577 -9.476 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.268 -9.972 1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.630 -9.768 1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.148 -8.621 0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.448 -8.140 2.375 1.00 0.00 H new ATOM 370 N ARG A 25 1.298 -10.490 2.039 1.00 0.00 N ATOM 371 CA ARG A 25 1.294 -11.606 2.977 1.00 0.00 C ATOM 372 C ARG A 25 0.148 -12.568 2.672 1.00 0.00 C ATOM 373 O ARG A 25 0.118 -13.693 3.173 1.00 0.00 O ATOM 374 CB ARG A 25 1.176 -11.094 4.413 1.00 0.00 C ATOM 375 CG ARG A 25 -0.256 -11.026 4.920 1.00 0.00 C ATOM 376 CD ARG A 25 -0.441 -9.892 5.916 1.00 0.00 C ATOM 377 NE ARG A 25 -0.192 -10.324 7.289 1.00 0.00 N ATOM 378 CZ ARG A 25 -1.095 -10.948 8.038 1.00 0.00 C ATOM 379 NH1 ARG A 25 -2.299 -11.212 7.549 1.00 0.00 N ATOM 380 NH2 ARG A 25 -0.794 -11.310 9.278 1.00 0.00 N ATOM 0 H ARG A 25 0.842 -9.646 2.386 1.00 0.00 H new ATOM 0 HA ARG A 25 2.236 -12.143 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.755 -11.743 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.621 -10.101 4.473 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.935 -10.887 4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.522 -11.972 5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.235 -9.075 5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.456 -9.502 5.837 1.00 0.00 H new ATOM 0 HE ARG A 25 0.725 -10.136 7.695 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.534 -10.936 6.596 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.990 -11.691 8.126 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.131 -11.109 9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.488 -11.789 9.852 1.00 0.00 H new ATOM 394 N LEU A 26 -0.793 -12.117 1.850 1.00 0.00 N ATOM 395 CA LEU A 26 -1.941 -12.936 1.479 1.00 0.00 C ATOM 396 C LEU A 26 -1.580 -13.903 0.357 1.00 0.00 C ATOM 397 O LEU A 26 -1.985 -15.065 0.371 1.00 0.00 O ATOM 398 CB LEU A 26 -3.109 -12.047 1.047 1.00 0.00 C ATOM 399 CG LEU A 26 -3.548 -10.980 2.050 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.792 -10.260 1.553 1.00 0.00 C ATOM 401 CD2 LEU A 26 -3.801 -11.604 3.415 1.00 0.00 C ATOM 0 H LEU A 26 -0.783 -11.189 1.428 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.239 -13.517 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.837 -11.551 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.965 -12.686 0.829 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.745 -10.249 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.090 -9.504 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.578 -9.780 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.601 -10.979 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.113 -10.830 4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.586 -12.356 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.886 -12.074 3.776 1.00 0.00 H new ATOM 413 N ALA A 27 -0.815 -13.416 -0.614 1.00 0.00 N ATOM 414 CA ALA A 27 -0.396 -14.238 -1.743 1.00 0.00 C ATOM 415 C ALA A 27 0.315 -15.500 -1.267 1.00 0.00 C ATOM 416 O ALA A 27 0.010 -16.603 -1.721 1.00 0.00 O ATOM 417 CB ALA A 27 0.507 -13.439 -2.671 1.00 0.00 C ATOM 0 H ALA A 27 -0.472 -12.456 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.287 -14.539 -2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.812 -14.065 -3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.034 -12.570 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.390 -13.109 -2.124 1.00 0.00 H new ATOM 423 N GLN A 28 1.264 -15.331 -0.352 1.00 0.00 N ATOM 424 CA GLN A 28 2.019 -16.458 0.182 1.00 0.00 C ATOM 425 C GLN A 28 1.127 -17.355 1.035 1.00 0.00 C ATOM 426 O GLN A 28 1.248 -18.579 0.999 1.00 0.00 O ATOM 427 CB GLN A 28 3.202 -15.958 1.013 1.00 0.00 C ATOM 428 CG GLN A 28 2.800 -15.032 2.149 1.00 0.00 C ATOM 429 CD GLN A 28 3.843 -14.969 3.248 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.976 -15.417 3.070 1.00 0.00 O ATOM 431 NE2 GLN A 28 3.466 -14.411 4.392 1.00 0.00 N ATOM 0 H GLN A 28 1.528 -14.425 0.035 1.00 0.00 H new ATOM 0 HA GLN A 28 2.395 -17.042 -0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.734 -16.816 1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.900 -15.435 0.359 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.633 -14.030 1.754 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.853 -15.370 2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.517 -14.053 4.496 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.126 -14.341 5.167 1.00 0.00 H new ATOM 440 N GLN A 29 0.233 -16.737 1.800 1.00 0.00 N ATOM 441 CA GLN A 29 -0.678 -17.481 2.662 1.00 0.00 C ATOM 442 C GLN A 29 -1.678 -18.282 1.835 1.00 0.00 C ATOM 443 O GLN A 29 -2.094 -19.370 2.231 1.00 0.00 O ATOM 444 CB GLN A 29 -1.421 -16.526 3.598 1.00 0.00 C ATOM 445 CG GLN A 29 -0.706 -16.288 4.918 1.00 0.00 C ATOM 446 CD GLN A 29 -1.624 -15.729 5.987 1.00 0.00 C ATOM 447 OE1 GLN A 29 -2.453 -16.446 6.547 1.00 0.00 O ATOM 448 NE2 GLN A 29 -1.481 -14.440 6.275 1.00 0.00 N ATOM 0 H GLN A 29 0.120 -15.724 1.841 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.088 -18.177 3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.560 -15.570 3.092 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.414 -16.928 3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.276 -17.226 5.268 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.122 -15.598 4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.781 -13.883 5.786 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.072 -14.008 6.985 1.00 0.00 H new ATOM 457 N ASN A 30 -2.059 -17.737 0.685 1.00 0.00 N ATOM 458 CA ASN A 30 -3.011 -18.401 -0.198 1.00 0.00 C ATOM 459 C ASN A 30 -2.511 -18.397 -1.639 1.00 0.00 C ATOM 460 O ASN A 30 -2.888 -17.552 -2.451 1.00 0.00 O ATOM 461 CB ASN A 30 -4.376 -17.715 -0.118 1.00 0.00 C ATOM 462 CG ASN A 30 -4.951 -17.733 1.285 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.215 -18.796 1.846 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.148 -16.551 1.858 1.00 0.00 N ATOM 0 H ASN A 30 -1.723 -16.837 0.342 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.112 -19.436 0.130 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.281 -16.683 -0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.069 -18.210 -0.798 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.533 -16.499 2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.914 -15.695 1.355 1.00 0.00 H new ATOM 471 N PRO A 31 -1.640 -19.364 -1.966 1.00 0.00 N ATOM 472 CA PRO A 31 -1.070 -19.495 -3.310 1.00 0.00 C ATOM 473 C PRO A 31 -2.104 -19.943 -4.337 1.00 0.00 C ATOM 474 O PRO A 31 -1.817 -20.010 -5.532 1.00 0.00 O ATOM 475 CB PRO A 31 0.009 -20.566 -3.135 1.00 0.00 C ATOM 476 CG PRO A 31 -0.440 -21.368 -1.962 1.00 0.00 C ATOM 477 CD PRO A 31 -1.146 -20.405 -1.048 1.00 0.00 C ATOM 0 HA PRO A 31 -0.690 -18.545 -3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.100 -21.186 -4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.987 -20.118 -2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.107 -22.173 -2.272 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.408 -21.833 -1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.962 -20.887 -0.510 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.470 -19.993 -0.299 1.00 0.00 H new ATOM 485 N ASP A 32 -3.308 -20.248 -3.864 1.00 0.00 N ATOM 486 CA ASP A 32 -4.385 -20.688 -4.742 1.00 0.00 C ATOM 487 C ASP A 32 -5.450 -19.605 -4.881 1.00 0.00 C ATOM 488 O ASP A 32 -6.269 -19.639 -5.800 1.00 0.00 O ATOM 489 CB ASP A 32 -5.016 -21.974 -4.205 1.00 0.00 C ATOM 490 CG ASP A 32 -5.760 -22.745 -5.278 1.00 0.00 C ATOM 491 OD1 ASP A 32 -5.100 -23.457 -6.063 1.00 0.00 O ATOM 492 OD2 ASP A 32 -7.004 -22.637 -5.332 1.00 0.00 O ATOM 0 H ASP A 32 -3.562 -20.198 -2.877 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.960 -20.884 -5.727 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.237 -22.608 -3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.703 -21.728 -3.396 1.00 0.00 H new ATOM 497 N LEU A 33 -5.433 -18.645 -3.963 1.00 0.00 N ATOM 498 CA LEU A 33 -6.398 -17.551 -3.982 1.00 0.00 C ATOM 499 C LEU A 33 -5.913 -16.413 -4.876 1.00 0.00 C ATOM 500 O LEU A 33 -4.718 -16.286 -5.143 1.00 0.00 O ATOM 501 CB LEU A 33 -6.640 -17.033 -2.563 1.00 0.00 C ATOM 502 CG LEU A 33 -7.438 -17.954 -1.640 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.701 -17.273 -0.305 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.747 -18.365 -2.298 1.00 0.00 C ATOM 0 H LEU A 33 -4.762 -18.602 -3.196 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.335 -17.933 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.673 -16.836 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.162 -16.078 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.849 -18.853 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.270 -17.943 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.752 -17.030 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.270 -16.358 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.302 -19.020 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.342 -17.477 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.537 -18.893 -3.228 1.00 0.00 H new ATOM 516 N HIS A 34 -6.849 -15.587 -5.333 1.00 0.00 N ATOM 517 CA HIS A 34 -6.517 -14.457 -6.194 1.00 0.00 C ATOM 518 C HIS A 34 -6.953 -13.141 -5.556 1.00 0.00 C ATOM 519 O HIS A 34 -7.666 -13.133 -4.554 1.00 0.00 O ATOM 520 CB HIS A 34 -7.181 -14.619 -7.562 1.00 0.00 C ATOM 521 CG HIS A 34 -8.660 -14.839 -7.487 1.00 0.00 C ATOM 522 ND1 HIS A 34 -9.582 -13.851 -7.762 1.00 0.00 N ATOM 523 CD2 HIS A 34 -9.377 -15.942 -7.168 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.802 -14.337 -7.614 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.705 -15.604 -7.254 1.00 0.00 N ATOM 0 H HIS A 34 -7.843 -15.679 -5.122 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.435 -14.436 -6.324 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.984 -13.729 -8.160 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.723 -15.460 -8.082 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.978 -16.908 -6.896 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.722 -13.791 -7.762 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.489 -16.230 -7.070 1.00 0.00 H new ATOM 534 N ASN A 35 -6.518 -12.032 -6.144 1.00 0.00 N ATOM 535 CA ASN A 35 -6.863 -10.710 -5.633 1.00 0.00 C ATOM 536 C ASN A 35 -8.260 -10.711 -5.019 1.00 0.00 C ATOM 537 O ASN A 35 -8.415 -10.608 -3.803 1.00 0.00 O ATOM 538 CB ASN A 35 -6.786 -9.671 -6.753 1.00 0.00 C ATOM 539 CG ASN A 35 -5.384 -9.524 -7.310 1.00 0.00 C ATOM 540 OD1 ASN A 35 -4.608 -10.479 -7.329 1.00 0.00 O ATOM 541 ND2 ASN A 35 -5.052 -8.322 -7.768 1.00 0.00 N ATOM 0 H ASN A 35 -5.926 -12.022 -6.975 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.145 -10.450 -4.856 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.465 -9.956 -7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.127 -8.707 -6.375 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.122 -8.163 -8.155 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.727 -7.558 -7.733 1.00 0.00 H new ATOM 548 N ALA A 36 -9.273 -10.829 -5.870 1.00 0.00 N ATOM 549 CA ALA A 36 -10.657 -10.847 -5.412 1.00 0.00 C ATOM 550 C ALA A 36 -10.781 -11.549 -4.065 1.00 0.00 C ATOM 551 O ALA A 36 -11.536 -11.115 -3.196 1.00 0.00 O ATOM 552 CB ALA A 36 -11.546 -11.523 -6.445 1.00 0.00 C ATOM 0 H ALA A 36 -9.162 -10.914 -6.880 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.985 -9.815 -5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.576 -11.529 -6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.490 -10.977 -7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.209 -12.548 -6.600 1.00 0.00 H new ATOM 558 N GLU A 37 -10.034 -12.637 -3.899 1.00 0.00 N ATOM 559 CA GLU A 37 -10.063 -13.400 -2.656 1.00 0.00 C ATOM 560 C GLU A 37 -9.244 -12.704 -1.572 1.00 0.00 C ATOM 561 O GLU A 37 -9.663 -12.624 -0.417 1.00 0.00 O ATOM 562 CB GLU A 37 -9.526 -14.814 -2.888 1.00 0.00 C ATOM 563 CG GLU A 37 -10.428 -15.672 -3.760 1.00 0.00 C ATOM 564 CD GLU A 37 -11.555 -16.317 -2.977 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.505 -16.282 -1.729 1.00 0.00 O ATOM 566 OE2 GLU A 37 -12.486 -16.855 -3.611 1.00 0.00 O ATOM 0 H GLU A 37 -9.403 -13.009 -4.608 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.098 -13.463 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.542 -14.748 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.392 -15.305 -1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.849 -15.058 -4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.832 -16.449 -4.239 1.00 0.00 H new ATOM 573 N LEU A 38 -8.074 -12.204 -1.953 1.00 0.00 N ATOM 574 CA LEU A 38 -7.195 -11.515 -1.014 1.00 0.00 C ATOM 575 C LEU A 38 -7.876 -10.279 -0.437 1.00 0.00 C ATOM 576 O LEU A 38 -7.914 -10.089 0.779 1.00 0.00 O ATOM 577 CB LEU A 38 -5.890 -11.116 -1.706 1.00 0.00 C ATOM 578 CG LEU A 38 -5.268 -12.169 -2.625 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.940 -11.676 -3.179 1.00 0.00 C ATOM 580 CD2 LEU A 38 -5.084 -13.483 -1.881 1.00 0.00 C ATOM 0 H LEU A 38 -7.712 -12.262 -2.905 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.971 -12.199 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.073 -10.215 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.160 -10.855 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.945 -12.340 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.512 -12.438 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.101 -10.760 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.254 -11.476 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.640 -14.221 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.427 -13.328 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.052 -13.843 -1.534 1.00 0.00 H new ATOM 592 N SER A 39 -8.415 -9.441 -1.317 1.00 0.00 N ATOM 593 CA SER A 39 -9.094 -8.221 -0.895 1.00 0.00 C ATOM 594 C SER A 39 -9.978 -8.485 0.321 1.00 0.00 C ATOM 595 O SER A 39 -9.839 -7.835 1.357 1.00 0.00 O ATOM 596 CB SER A 39 -9.937 -7.659 -2.041 1.00 0.00 C ATOM 597 OG SER A 39 -9.983 -6.243 -1.993 1.00 0.00 O ATOM 0 H SER A 39 -8.395 -9.585 -2.327 1.00 0.00 H new ATOM 0 HA SER A 39 -8.335 -7.488 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.520 -7.980 -2.995 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.949 -8.061 -1.984 1.00 0.00 H new ATOM 0 HG SER A 39 -10.526 -5.908 -2.737 1.00 0.00 H new ATOM 603 N LYS A 40 -10.889 -9.443 0.185 1.00 0.00 N ATOM 604 CA LYS A 40 -11.796 -9.795 1.271 1.00 0.00 C ATOM 605 C LYS A 40 -11.103 -9.665 2.623 1.00 0.00 C ATOM 606 O LYS A 40 -11.728 -9.296 3.618 1.00 0.00 O ATOM 607 CB LYS A 40 -12.313 -11.224 1.087 1.00 0.00 C ATOM 608 CG LYS A 40 -13.289 -11.374 -0.068 1.00 0.00 C ATOM 609 CD LYS A 40 -14.727 -11.203 0.392 1.00 0.00 C ATOM 610 CE LYS A 40 -15.708 -11.765 -0.626 1.00 0.00 C ATOM 611 NZ LYS A 40 -16.955 -12.261 0.020 1.00 0.00 N ATOM 0 H LYS A 40 -11.019 -9.989 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.638 -9.103 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.466 -11.890 0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.800 -11.547 2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.061 -10.635 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.166 -12.356 -0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.866 -11.706 1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.935 -10.145 0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.958 -10.993 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.235 -12.579 -1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.597 -12.636 -0.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.719 -13.015 0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.420 -11.479 0.523 1.00 0.00 H new ATOM 625 N MET A 41 -9.810 -9.967 2.652 1.00 0.00 N ATOM 626 CA MET A 41 -9.032 -9.881 3.883 1.00 0.00 C ATOM 627 C MET A 41 -8.445 -8.484 4.058 1.00 0.00 C ATOM 628 O MET A 41 -8.402 -7.952 5.168 1.00 0.00 O ATOM 629 CB MET A 41 -7.910 -10.921 3.877 1.00 0.00 C ATOM 630 CG MET A 41 -8.377 -12.316 3.497 1.00 0.00 C ATOM 631 SD MET A 41 -7.008 -13.436 3.148 1.00 0.00 S ATOM 632 CE MET A 41 -7.376 -13.906 1.459 1.00 0.00 C ATOM 0 H MET A 41 -9.278 -10.274 1.837 1.00 0.00 H new ATOM 0 HA MET A 41 -9.700 -10.083 4.720 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.135 -10.603 3.179 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.453 -10.956 4.866 1.00 0.00 H new ATOM 0 HG2 MET A 41 -8.980 -12.726 4.307 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.022 -12.253 2.621 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.458 -13.900 0.871 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.808 -14.907 1.446 1.00 0.00 H new ATOM 0 HE3 MET A 41 -8.086 -13.198 1.031 1.00 0.00 H new ATOM 642 N LEU A 42 -7.994 -7.894 2.956 1.00 0.00 N ATOM 643 CA LEU A 42 -7.409 -6.558 2.988 1.00 0.00 C ATOM 644 C LEU A 42 -8.442 -5.522 3.421 1.00 0.00 C ATOM 645 O LEU A 42 -8.094 -4.473 3.962 1.00 0.00 O ATOM 646 CB LEU A 42 -6.849 -6.193 1.613 1.00 0.00 C ATOM 647 CG LEU A 42 -5.755 -7.112 1.068 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.465 -6.790 -0.390 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.490 -6.991 1.905 1.00 0.00 C ATOM 0 H LEU A 42 -8.022 -8.320 2.030 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.597 -6.560 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.673 -6.179 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.453 -5.179 1.662 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.109 -8.141 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.684 -7.454 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.371 -6.930 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.132 -5.755 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.723 -7.652 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.133 -5.962 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.707 -7.273 2.935 1.00 0.00 H new ATOM 661 N GLY A 43 -9.714 -5.825 3.180 1.00 0.00 N ATOM 662 CA GLY A 43 -10.778 -4.911 3.552 1.00 0.00 C ATOM 663 C GLY A 43 -11.127 -4.997 5.025 1.00 0.00 C ATOM 664 O GLY A 43 -11.075 -3.999 5.743 1.00 0.00 O ATOM 0 H GLY A 43 -10.027 -6.687 2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.477 -3.891 3.312 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.665 -5.130 2.958 1.00 0.00 H new ATOM 668 N LYS A 44 -11.486 -6.194 5.476 1.00 0.00 N ATOM 669 CA LYS A 44 -11.847 -6.409 6.873 1.00 0.00 C ATOM 670 C LYS A 44 -10.748 -5.903 7.802 1.00 0.00 C ATOM 671 O LYS A 44 -11.028 -5.367 8.875 1.00 0.00 O ATOM 672 CB LYS A 44 -12.104 -7.896 7.132 1.00 0.00 C ATOM 673 CG LYS A 44 -10.846 -8.746 7.091 1.00 0.00 C ATOM 674 CD LYS A 44 -11.132 -10.183 7.495 1.00 0.00 C ATOM 675 CE LYS A 44 -11.933 -10.913 6.428 1.00 0.00 C ATOM 676 NZ LYS A 44 -13.400 -10.746 6.625 1.00 0.00 N ATOM 0 H LYS A 44 -11.535 -7.031 4.895 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.759 -5.848 7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.578 -8.010 8.107 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.809 -8.269 6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.425 -8.726 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.097 -8.321 7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.192 -10.707 7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.682 -10.195 8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.654 -10.538 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.682 -11.974 6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.847 -11.681 6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.574 -10.199 7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.804 -10.242 5.810 1.00 0.00 H new ATOM 690 N SER A 45 -9.499 -6.075 7.383 1.00 0.00 N ATOM 691 CA SER A 45 -8.358 -5.638 8.180 1.00 0.00 C ATOM 692 C SER A 45 -8.171 -4.127 8.077 1.00 0.00 C ATOM 693 O SER A 45 -7.710 -3.482 9.018 1.00 0.00 O ATOM 694 CB SER A 45 -7.086 -6.354 7.723 1.00 0.00 C ATOM 695 OG SER A 45 -7.056 -7.691 8.192 1.00 0.00 O ATOM 0 H SER A 45 -9.251 -6.514 6.496 1.00 0.00 H new ATOM 0 HA SER A 45 -8.554 -5.892 9.222 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.032 -6.346 6.634 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.211 -5.817 8.090 1.00 0.00 H new ATOM 0 HG SER A 45 -6.234 -8.127 7.885 1.00 0.00 H new ATOM 701 N TRP A 46 -8.531 -3.571 6.926 1.00 0.00 N ATOM 702 CA TRP A 46 -8.402 -2.136 6.698 1.00 0.00 C ATOM 703 C TRP A 46 -9.393 -1.358 7.557 1.00 0.00 C ATOM 704 O TRP A 46 -9.005 -0.664 8.496 1.00 0.00 O ATOM 705 CB TRP A 46 -8.625 -1.812 5.220 1.00 0.00 C ATOM 706 CG TRP A 46 -8.538 -0.347 4.914 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.525 0.441 4.394 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.402 0.503 5.106 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.071 1.731 4.252 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.772 1.795 4.682 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.110 0.300 5.596 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -6.895 2.875 4.734 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.240 1.372 5.647 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.636 2.647 5.219 1.00 0.00 C ATOM 0 H TRP A 46 -8.914 -4.091 6.137 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.392 -1.837 6.980 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.885 -2.345 4.623 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.605 -2.182 4.918 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.516 0.101 4.133 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.613 2.513 3.886 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.796 -0.678 5.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.198 3.858 4.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.238 1.225 6.023 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.933 3.465 5.273 1.00 0.00 H new ATOM 725 N LYS A 47 -10.675 -1.478 7.229 1.00 0.00 N ATOM 726 CA LYS A 47 -11.723 -0.787 7.971 1.00 0.00 C ATOM 727 C LYS A 47 -11.517 -0.940 9.474 1.00 0.00 C ATOM 728 O LYS A 47 -11.780 -0.017 10.244 1.00 0.00 O ATOM 729 CB LYS A 47 -13.099 -1.329 7.576 1.00 0.00 C ATOM 730 CG LYS A 47 -13.738 -0.582 6.419 1.00 0.00 C ATOM 731 CD LYS A 47 -13.392 -1.219 5.084 1.00 0.00 C ATOM 732 CE LYS A 47 -14.132 -2.533 4.885 1.00 0.00 C ATOM 733 NZ LYS A 47 -15.479 -2.326 4.284 1.00 0.00 N ATOM 0 H LYS A 47 -11.013 -2.048 6.454 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.671 0.273 7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.003 -2.381 7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.762 -1.279 8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.820 -0.569 6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.403 0.455 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.644 -0.532 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.317 -1.394 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.544 -3.187 4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.236 -3.040 5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.951 -3.245 4.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.050 -1.723 4.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.378 -1.865 3.357 1.00 0.00 H new ATOM 747 N ALA A 48 -11.042 -2.111 9.885 1.00 0.00 N ATOM 748 CA ALA A 48 -10.797 -2.384 11.296 1.00 0.00 C ATOM 749 C ALA A 48 -9.825 -1.370 11.890 1.00 0.00 C ATOM 750 O ALA A 48 -9.952 -0.978 13.050 1.00 0.00 O ATOM 751 CB ALA A 48 -10.265 -3.797 11.476 1.00 0.00 C ATOM 0 H ALA A 48 -10.819 -2.886 9.261 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.744 -2.295 11.828 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.087 -3.987 12.534 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.996 -4.512 11.097 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.331 -3.907 10.925 1.00 0.00 H new ATOM 757 N LEU A 49 -8.852 -0.951 11.088 1.00 0.00 N ATOM 758 CA LEU A 49 -7.856 0.017 11.535 1.00 0.00 C ATOM 759 C LEU A 49 -8.520 1.319 11.973 1.00 0.00 C ATOM 760 O LEU A 49 -9.641 1.626 11.564 1.00 0.00 O ATOM 761 CB LEU A 49 -6.850 0.296 10.417 1.00 0.00 C ATOM 762 CG LEU A 49 -5.937 -0.867 10.030 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.096 -0.505 8.815 1.00 0.00 C ATOM 764 CD2 LEU A 49 -5.046 -1.258 11.200 1.00 0.00 C ATOM 0 H LEU A 49 -8.732 -1.266 10.125 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.331 -0.408 12.391 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.401 0.610 9.530 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.226 1.137 10.719 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.561 -1.723 9.772 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.452 -1.345 8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.751 -0.275 7.975 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.481 0.365 9.044 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.403 -2.088 10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.430 -0.406 11.489 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.666 -1.561 12.044 1.00 0.00 H new ATOM 776 N THR A 50 -7.821 2.082 12.807 1.00 0.00 N ATOM 777 CA THR A 50 -8.341 3.351 13.300 1.00 0.00 C ATOM 778 C THR A 50 -7.670 4.529 12.603 1.00 0.00 C ATOM 779 O THR A 50 -6.654 4.366 11.926 1.00 0.00 O ATOM 780 CB THR A 50 -8.141 3.487 14.821 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.743 3.506 15.132 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.815 2.341 15.560 1.00 0.00 C ATOM 0 H THR A 50 -6.893 1.843 13.155 1.00 0.00 H new ATOM 0 HA THR A 50 -9.408 3.362 13.079 1.00 0.00 H new ATOM 0 HB THR A 50 -8.597 4.423 15.143 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.625 3.594 16.101 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.660 2.459 16.633 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.884 2.348 15.345 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.385 1.394 15.233 1.00 0.00 H new ATOM 790 N LEU A 51 -8.242 5.716 12.773 1.00 0.00 N ATOM 791 CA LEU A 51 -7.698 6.923 12.161 1.00 0.00 C ATOM 792 C LEU A 51 -6.186 6.995 12.351 1.00 0.00 C ATOM 793 O LEU A 51 -5.435 7.126 11.385 1.00 0.00 O ATOM 794 CB LEU A 51 -8.359 8.165 12.760 1.00 0.00 C ATOM 795 CG LEU A 51 -8.001 9.499 12.104 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.769 10.102 12.758 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.778 9.315 10.610 1.00 0.00 C ATOM 0 H LEU A 51 -9.083 5.868 13.330 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.910 6.887 11.092 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.440 8.037 12.709 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.094 8.220 13.816 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.835 10.187 12.245 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.530 11.051 12.278 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.965 10.270 13.817 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.928 9.418 12.649 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.524 10.274 10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.962 8.611 10.448 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.688 8.928 10.151 1.00 0.00 H new ATOM 809 N ALA A 52 -5.747 6.908 13.602 1.00 0.00 N ATOM 810 CA ALA A 52 -4.325 6.960 13.918 1.00 0.00 C ATOM 811 C ALA A 52 -3.548 5.917 13.123 1.00 0.00 C ATOM 812 O ALA A 52 -2.392 6.134 12.762 1.00 0.00 O ATOM 813 CB ALA A 52 -4.109 6.757 15.411 1.00 0.00 C ATOM 0 H ALA A 52 -6.356 6.801 14.413 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.951 7.945 13.638 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.043 6.798 15.633 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.625 7.542 15.963 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.504 5.785 15.707 1.00 0.00 H new ATOM 819 N GLU A 53 -4.191 4.785 12.853 1.00 0.00 N ATOM 820 CA GLU A 53 -3.557 3.708 12.101 1.00 0.00 C ATOM 821 C GLU A 53 -3.486 4.050 10.616 1.00 0.00 C ATOM 822 O GLU A 53 -2.534 3.683 9.927 1.00 0.00 O ATOM 823 CB GLU A 53 -4.324 2.398 12.298 1.00 0.00 C ATOM 824 CG GLU A 53 -4.046 1.725 13.632 1.00 0.00 C ATOM 825 CD GLU A 53 -2.704 1.019 13.660 1.00 0.00 C ATOM 826 OE1 GLU A 53 -1.686 1.665 13.338 1.00 0.00 O ATOM 827 OE2 GLU A 53 -2.673 -0.181 14.005 1.00 0.00 O ATOM 0 H GLU A 53 -5.149 4.590 13.143 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.541 3.586 12.477 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.393 2.597 12.216 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.065 1.710 11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.076 2.472 14.425 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.836 1.004 13.843 1.00 0.00 H new ATOM 834 N LYS A 54 -4.501 4.755 10.128 1.00 0.00 N ATOM 835 CA LYS A 54 -4.556 5.149 8.725 1.00 0.00 C ATOM 836 C LYS A 54 -3.790 6.447 8.494 1.00 0.00 C ATOM 837 O LYS A 54 -3.573 6.856 7.353 1.00 0.00 O ATOM 838 CB LYS A 54 -6.010 5.315 8.277 1.00 0.00 C ATOM 839 CG LYS A 54 -6.870 4.090 8.536 1.00 0.00 C ATOM 840 CD LYS A 54 -8.312 4.322 8.117 1.00 0.00 C ATOM 841 CE LYS A 54 -9.043 3.009 7.884 1.00 0.00 C ATOM 842 NZ LYS A 54 -10.521 3.190 7.878 1.00 0.00 N ATOM 0 H LYS A 54 -5.298 5.066 10.684 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.088 4.362 8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.445 6.170 8.794 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.029 5.543 7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.464 3.238 7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.834 3.837 9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.828 4.895 8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.336 4.919 7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.726 2.581 6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.768 2.297 8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.983 2.279 8.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.789 3.879 8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.824 3.539 6.946 1.00 0.00 H new ATOM 856 N ARG A 55 -3.383 7.091 9.583 1.00 0.00 N ATOM 857 CA ARG A 55 -2.641 8.343 9.499 1.00 0.00 C ATOM 858 C ARG A 55 -1.389 8.176 8.643 1.00 0.00 C ATOM 859 O ARG A 55 -1.129 8.951 7.722 1.00 0.00 O ATOM 860 CB ARG A 55 -2.255 8.828 10.897 1.00 0.00 C ATOM 861 CG ARG A 55 -2.254 10.341 11.039 1.00 0.00 C ATOM 862 CD ARG A 55 -3.664 10.885 11.209 1.00 0.00 C ATOM 863 NE ARG A 55 -3.759 12.290 10.823 1.00 0.00 N ATOM 864 CZ ARG A 55 -4.908 12.906 10.567 1.00 0.00 C ATOM 865 NH1 ARG A 55 -6.053 12.244 10.658 1.00 0.00 N ATOM 866 NH2 ARG A 55 -4.912 14.187 10.221 1.00 0.00 N ATOM 0 H ARG A 55 -3.555 6.766 10.534 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.285 9.087 9.030 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.948 8.404 11.623 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.263 8.448 11.143 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.647 10.627 11.898 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.793 10.790 10.159 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.355 10.296 10.606 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.973 10.773 12.248 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.896 12.828 10.746 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.053 11.260 10.925 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.934 12.719 10.461 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.033 14.699 10.151 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.794 14.659 10.025 1.00 0.00 H new ATOM 880 N PRO A 56 -0.594 7.141 8.952 1.00 0.00 N ATOM 881 CA PRO A 56 0.644 6.848 8.224 1.00 0.00 C ATOM 882 C PRO A 56 0.379 6.348 6.808 1.00 0.00 C ATOM 883 O PRO A 56 1.191 6.550 5.905 1.00 0.00 O ATOM 884 CB PRO A 56 1.299 5.750 9.065 1.00 0.00 C ATOM 885 CG PRO A 56 0.168 5.094 9.779 1.00 0.00 C ATOM 886 CD PRO A 56 -0.843 6.177 10.037 1.00 0.00 C ATOM 0 HA PRO A 56 1.264 7.736 8.100 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.837 5.039 8.438 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.022 6.167 9.767 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.262 4.294 9.177 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.505 4.644 10.713 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.862 5.791 10.006 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.704 6.631 11.018 1.00 0.00 H new ATOM 894 N PHE A 57 -0.763 5.694 6.621 1.00 0.00 N ATOM 895 CA PHE A 57 -1.135 5.164 5.314 1.00 0.00 C ATOM 896 C PHE A 57 -2.014 6.154 4.555 1.00 0.00 C ATOM 897 O PHE A 57 -2.293 5.973 3.370 1.00 0.00 O ATOM 898 CB PHE A 57 -1.869 3.830 5.471 1.00 0.00 C ATOM 899 CG PHE A 57 -1.156 2.856 6.365 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.064 2.317 5.991 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.707 2.478 7.579 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.723 1.420 6.811 1.00 0.00 C ATOM 903 CE2 PHE A 57 -1.053 1.582 8.403 1.00 0.00 C ATOM 904 CZ PHE A 57 0.163 1.051 8.018 1.00 0.00 C ATOM 0 H PHE A 57 -1.446 5.518 7.358 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.221 5.004 4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.865 4.017 5.872 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.001 3.379 4.488 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.506 2.601 5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.658 2.888 7.885 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.674 1.008 6.508 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.492 1.297 9.348 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.674 0.349 8.660 1.00 0.00 H new ATOM 914 N VAL A 58 -2.448 7.203 5.248 1.00 0.00 N ATOM 915 CA VAL A 58 -3.294 8.223 4.641 1.00 0.00 C ATOM 916 C VAL A 58 -2.463 9.394 4.131 1.00 0.00 C ATOM 917 O VAL A 58 -2.764 9.974 3.088 1.00 0.00 O ATOM 918 CB VAL A 58 -4.344 8.748 5.638 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.891 10.091 5.180 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.466 7.736 5.811 1.00 0.00 C ATOM 0 H VAL A 58 -2.227 7.368 6.230 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.805 7.751 3.802 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.862 8.891 6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.631 10.446 5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.076 10.812 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.358 9.979 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.199 8.123 6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.948 7.559 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.056 6.799 6.189 1.00 0.00 H new ATOM 930 N GLU A 59 -1.414 9.737 4.874 1.00 0.00 N ATOM 931 CA GLU A 59 -0.539 10.841 4.496 1.00 0.00 C ATOM 932 C GLU A 59 0.426 10.416 3.393 1.00 0.00 C ATOM 933 O GLU A 59 1.103 11.250 2.793 1.00 0.00 O ATOM 934 CB GLU A 59 0.245 11.338 5.712 1.00 0.00 C ATOM 935 CG GLU A 59 -0.634 11.694 6.899 1.00 0.00 C ATOM 936 CD GLU A 59 -1.075 13.145 6.885 1.00 0.00 C ATOM 937 OE1 GLU A 59 -1.079 13.752 5.793 1.00 0.00 O ATOM 938 OE2 GLU A 59 -1.415 13.673 7.964 1.00 0.00 O ATOM 0 H GLU A 59 -1.150 9.267 5.740 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.161 11.652 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.956 10.569 6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.826 12.214 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.514 11.051 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.090 11.492 7.822 1.00 0.00 H new ATOM 945 N GLU A 60 0.484 9.114 3.134 1.00 0.00 N ATOM 946 CA GLU A 60 1.367 8.579 2.104 1.00 0.00 C ATOM 947 C GLU A 60 0.654 8.509 0.757 1.00 0.00 C ATOM 948 O GLU A 60 1.162 8.995 -0.252 1.00 0.00 O ATOM 949 CB GLU A 60 1.867 7.188 2.502 1.00 0.00 C ATOM 950 CG GLU A 60 2.605 6.465 1.387 1.00 0.00 C ATOM 951 CD GLU A 60 3.606 5.454 1.911 1.00 0.00 C ATOM 952 OE1 GLU A 60 3.404 4.945 3.033 1.00 0.00 O ATOM 953 OE2 GLU A 60 4.592 5.173 1.198 1.00 0.00 O ATOM 0 H GLU A 60 -0.069 8.410 3.623 1.00 0.00 H new ATOM 0 HA GLU A 60 2.220 9.251 2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.528 7.281 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.017 6.582 2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.883 5.958 0.747 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.123 7.196 0.766 1.00 0.00 H new ATOM 960 N ALA A 61 -0.528 7.901 0.751 1.00 0.00 N ATOM 961 CA ALA A 61 -1.312 7.768 -0.471 1.00 0.00 C ATOM 962 C ALA A 61 -1.636 9.134 -1.066 1.00 0.00 C ATOM 963 O ALA A 61 -1.832 9.264 -2.274 1.00 0.00 O ATOM 964 CB ALA A 61 -2.592 6.994 -0.194 1.00 0.00 C ATOM 0 H ALA A 61 -0.963 7.493 1.578 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.716 7.216 -1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.168 6.902 -1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.343 6.001 0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.183 7.524 0.552 1.00 0.00 H new ATOM 970 N GLU A 62 -1.692 10.150 -0.210 1.00 0.00 N ATOM 971 CA GLU A 62 -1.994 11.506 -0.653 1.00 0.00 C ATOM 972 C GLU A 62 -0.859 12.065 -1.506 1.00 0.00 C ATOM 973 O GLU A 62 -1.096 12.729 -2.516 1.00 0.00 O ATOM 974 CB GLU A 62 -2.237 12.417 0.552 1.00 0.00 C ATOM 975 CG GLU A 62 -2.291 13.894 0.197 1.00 0.00 C ATOM 976 CD GLU A 62 -3.148 14.694 1.158 1.00 0.00 C ATOM 977 OE1 GLU A 62 -2.862 14.662 2.374 1.00 0.00 O ATOM 978 OE2 GLU A 62 -4.103 15.352 0.696 1.00 0.00 O ATOM 0 H GLU A 62 -1.532 10.060 0.793 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.898 11.470 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.175 12.132 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.445 12.256 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.280 14.300 0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.683 14.007 -0.814 1.00 0.00 H new ATOM 985 N ARG A 63 0.374 11.791 -1.093 1.00 0.00 N ATOM 986 CA ARG A 63 1.546 12.268 -1.818 1.00 0.00 C ATOM 987 C ARG A 63 1.670 11.570 -3.170 1.00 0.00 C ATOM 988 O ARG A 63 2.049 12.187 -4.166 1.00 0.00 O ATOM 989 CB ARG A 63 2.813 12.033 -0.993 1.00 0.00 C ATOM 990 CG ARG A 63 2.759 12.653 0.394 1.00 0.00 C ATOM 991 CD ARG A 63 3.832 12.075 1.304 1.00 0.00 C ATOM 992 NE ARG A 63 5.177 12.427 0.857 1.00 0.00 N ATOM 993 CZ ARG A 63 5.738 13.611 1.076 1.00 0.00 C ATOM 994 NH1 ARG A 63 5.074 14.551 1.734 1.00 0.00 N ATOM 995 NH2 ARG A 63 6.966 13.856 0.638 1.00 0.00 N ATOM 0 H ARG A 63 0.587 11.241 -0.261 1.00 0.00 H new ATOM 0 HA ARG A 63 1.426 13.338 -1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.980 10.960 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.668 12.441 -1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.889 13.732 0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.776 12.481 0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.681 12.440 2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.733 10.990 1.337 1.00 0.00 H new ATOM 0 HE ARG A 63 5.715 11.725 0.349 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.130 14.366 2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.507 15.459 1.901 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.480 13.135 0.132 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.396 14.766 0.807 1.00 0.00 H new