USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 676 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 78 ASN : amide:sc= -1.57 K(o=-0.92,f=-2.1!) USER MOD Set 1.2: A 80 GLN : amide:sc= 0.65 K(o=-0.92,f=-2.1) USER MOD Set 2.1: A 27 GLN : amide:sc= -0.024 X(o=-0.2,f=-0.15) USER MOD Set 2.2: A 61 HIS : no HD1:sc= -0.176 X(o=-0.2,f=-0.27) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.947 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.154 F(o=-1.7!,f=-0.15) USER MOD Single : A 24 LYS NZ :NH3+ -158:sc= -0.0763 (180deg=-0.398) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -156:sc= -0.0915 (180deg=-0.403) USER MOD Single : A 52 SER OG : rot 39:sc= 0.869 USER MOD Single : A 57 SER OG : rot -80:sc= 1.05 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -2.1 F(o=-4.6!,f=-2.1) USER MOD Single : A 64 HIS : no HD1:sc=-0.00513 X(o=-0.0051,f=-0.077) USER MOD Single : A 66 GLN : amide:sc= -2.46 K(o=-2.5,f=-3.8!) USER MOD Single : A 68 ASN :FLIP amide:sc= -1.93 F(o=-2.5!,f=-1.9) USER MOD Single : A 70 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00864) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -1.93 X(o=-1.9,f=-2.3) USER MOD Single : A 93 ASN : amide:sc=-0.00465 X(o=-0.0046,f=-0.017) USER MOD Single : A 96 GLN : amide:sc= 1.18 K(o=1.2,f=-0.075) USER MOD Single : A 99 HIS : no HD1:sc= -2.7! C(o=-2.7!,f=-3.1!) USER MOD Single : A 101 THR OG1 : rot 82:sc= -0.18 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 13 -8.064 -2.783 -15.199 1.00 0.00 N ATOM 119 CA LEU A 13 -8.848 -2.083 -14.188 1.00 0.00 C ATOM 120 C LEU A 13 -8.016 -1.002 -13.505 1.00 0.00 C ATOM 121 O LEU A 13 -8.540 0.035 -13.098 1.00 0.00 O ATOM 122 CB LEU A 13 -9.373 -3.073 -13.146 1.00 0.00 C ATOM 123 CG LEU A 13 -10.611 -3.876 -13.547 1.00 0.00 C ATOM 124 CD1 LEU A 13 -11.610 -2.989 -14.274 1.00 0.00 C ATOM 125 CD2 LEU A 13 -10.219 -5.063 -14.415 1.00 0.00 C ATOM 0 HA LEU A 13 -9.692 -1.605 -14.685 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.573 -3.773 -12.904 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.602 -2.522 -12.234 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.084 -4.254 -12.641 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.484 -3.578 -14.552 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.915 -2.172 -13.620 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.147 -2.581 -15.172 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.113 -5.623 -14.691 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.722 -4.706 -15.317 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.541 -5.712 -13.860 1.00 0.00 H new ATOM 137 N PHE A 14 -6.716 -1.251 -13.385 1.00 0.00 N ATOM 138 CA PHE A 14 -5.811 -0.299 -12.753 1.00 0.00 C ATOM 139 C PHE A 14 -4.972 0.430 -13.799 1.00 0.00 C ATOM 140 O PHE A 14 -4.984 0.075 -14.976 1.00 0.00 O ATOM 141 CB PHE A 14 -4.896 -1.016 -11.758 1.00 0.00 C ATOM 142 CG PHE A 14 -5.598 -2.067 -10.948 1.00 0.00 C ATOM 143 CD1 PHE A 14 -5.876 -3.310 -11.494 1.00 0.00 C ATOM 144 CD2 PHE A 14 -5.980 -1.813 -9.641 1.00 0.00 C ATOM 145 CE1 PHE A 14 -6.523 -4.279 -10.751 1.00 0.00 C ATOM 146 CE2 PHE A 14 -6.627 -2.779 -8.892 1.00 0.00 C ATOM 147 CZ PHE A 14 -6.898 -4.014 -9.448 1.00 0.00 C ATOM 0 H PHE A 14 -6.266 -2.104 -13.717 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.412 0.436 -12.218 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.072 -1.478 -12.302 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.459 -0.280 -11.083 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.584 -3.524 -12.511 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.770 -0.849 -9.202 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.735 -5.243 -11.189 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.920 -2.568 -7.874 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.402 -4.771 -8.865 1.00 0.00 H new ATOM 157 N GLU A 15 -4.246 1.453 -13.358 1.00 0.00 N ATOM 158 CA GLU A 15 -3.402 2.233 -14.256 1.00 0.00 C ATOM 159 C GLU A 15 -1.971 2.305 -13.732 1.00 0.00 C ATOM 160 O GLU A 15 -1.740 2.616 -12.563 1.00 0.00 O ATOM 161 CB GLU A 15 -3.967 3.645 -14.424 1.00 0.00 C ATOM 162 CG GLU A 15 -4.378 4.297 -13.114 1.00 0.00 C ATOM 163 CD GLU A 15 -4.355 5.811 -13.184 1.00 0.00 C ATOM 164 OE1 GLU A 15 -3.399 6.365 -13.767 1.00 0.00 O ATOM 165 OE2 GLU A 15 -5.293 6.443 -12.654 1.00 0.00 O ATOM 0 H GLU A 15 -4.225 1.761 -12.386 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.391 1.736 -15.226 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.220 4.270 -14.912 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.831 3.605 -15.087 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.381 3.965 -12.846 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.709 3.963 -12.321 1.00 0.00 H new ATOM 172 N THR A 16 -1.012 2.016 -14.606 1.00 0.00 N ATOM 173 CA THR A 16 0.397 2.046 -14.233 1.00 0.00 C ATOM 174 C THR A 16 1.040 3.372 -14.621 1.00 0.00 C ATOM 175 O THR A 16 0.832 3.875 -15.725 1.00 0.00 O ATOM 176 CB THR A 16 1.178 0.896 -14.895 1.00 0.00 C ATOM 177 OG1 THR A 16 0.446 -0.328 -14.773 1.00 0.00 O ATOM 178 CG2 THR A 16 2.551 0.738 -14.259 1.00 0.00 C ATOM 0 H THR A 16 -1.185 1.758 -15.578 1.00 0.00 H new ATOM 0 HA THR A 16 0.440 1.928 -13.150 1.00 0.00 H new ATOM 0 HB THR A 16 1.309 1.136 -15.950 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.949 -1.054 -15.198 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.084 -0.080 -14.743 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.117 1.662 -14.380 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.437 0.519 -13.197 1.00 0.00 H new ATOM 186 N TYR A 17 1.823 3.935 -13.707 1.00 0.00 N ATOM 187 CA TYR A 17 2.496 5.204 -13.953 1.00 0.00 C ATOM 188 C TYR A 17 3.898 5.204 -13.351 1.00 0.00 C ATOM 189 O TYR A 17 4.158 4.526 -12.358 1.00 0.00 O ATOM 190 CB TYR A 17 1.679 6.360 -13.372 1.00 0.00 C ATOM 191 CG TYR A 17 1.432 6.239 -11.886 1.00 0.00 C ATOM 192 CD1 TYR A 17 0.435 5.406 -11.393 1.00 0.00 C ATOM 193 CD2 TYR A 17 2.194 6.959 -10.974 1.00 0.00 C ATOM 194 CE1 TYR A 17 0.204 5.293 -10.036 1.00 0.00 C ATOM 195 CE2 TYR A 17 1.971 6.851 -9.615 1.00 0.00 C ATOM 196 CZ TYR A 17 0.976 6.017 -9.151 1.00 0.00 C ATOM 197 OH TYR A 17 0.750 5.907 -7.798 1.00 0.00 O ATOM 0 H TYR A 17 2.007 3.532 -12.788 1.00 0.00 H new ATOM 0 HA TYR A 17 2.584 5.336 -15.031 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.199 7.297 -13.570 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.720 6.412 -13.888 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.170 4.837 -12.083 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.974 7.614 -11.334 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.576 4.642 -9.670 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.573 7.417 -8.920 1.00 0.00 H new ATOM 0 HH TYR A 17 1.379 6.481 -7.313 1.00 0.00 H new ATOM 207 N ASN A 18 4.796 5.972 -13.959 1.00 0.00 N ATOM 208 CA ASN A 18 6.172 6.061 -13.483 1.00 0.00 C ATOM 209 C ASN A 18 6.411 7.381 -12.755 1.00 0.00 C ATOM 210 O ASN A 18 6.014 8.445 -13.230 1.00 0.00 O ATOM 211 CB ASN A 18 7.148 5.928 -14.654 1.00 0.00 C ATOM 212 CG ASN A 18 7.162 4.528 -15.238 1.00 0.00 C ATOM 213 OD1 ASN A 18 5.988 4.030 -15.609 1.00 0.00 O flip ATOM 214 ND2 ASN A 18 8.216 3.903 -15.355 1.00 0.00 N flip ATOM 0 H ASN A 18 4.596 6.541 -14.781 1.00 0.00 H new ATOM 0 HA ASN A 18 6.342 5.244 -12.782 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.877 6.641 -15.433 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.152 6.189 -14.319 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.095 4.325 -15.056 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.210 2.963 -15.751 1.00 0.00 H new ATOM 221 N VAL A 19 7.064 7.303 -11.600 1.00 0.00 N ATOM 222 CA VAL A 19 7.359 8.491 -10.807 1.00 0.00 C ATOM 223 C VAL A 19 8.862 8.679 -10.637 1.00 0.00 C ATOM 224 O VAL A 19 9.528 7.874 -9.987 1.00 0.00 O ATOM 225 CB VAL A 19 6.701 8.414 -9.416 1.00 0.00 C ATOM 226 CG1 VAL A 19 6.555 9.804 -8.817 1.00 0.00 C ATOM 227 CG2 VAL A 19 5.351 7.718 -9.503 1.00 0.00 C ATOM 0 H VAL A 19 7.399 6.430 -11.192 1.00 0.00 H new ATOM 0 HA VAL A 19 6.949 9.343 -11.348 1.00 0.00 H new ATOM 0 HB VAL A 19 7.345 7.828 -8.761 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.088 9.730 -7.835 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.539 10.263 -8.718 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.933 10.418 -9.469 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.901 7.672 -8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.697 8.275 -10.173 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.487 6.707 -9.886 1.00 0.00 H new ATOM 237 N GLU A 20 9.389 9.748 -11.224 1.00 0.00 N ATOM 238 CA GLU A 20 10.815 10.042 -11.137 1.00 0.00 C ATOM 239 C GLU A 20 11.133 10.818 -9.863 1.00 0.00 C ATOM 240 O GLU A 20 10.883 12.021 -9.775 1.00 0.00 O ATOM 241 CB GLU A 20 11.269 10.841 -12.361 1.00 0.00 C ATOM 242 CG GLU A 20 12.763 11.115 -12.388 1.00 0.00 C ATOM 243 CD GLU A 20 13.107 12.407 -13.104 1.00 0.00 C ATOM 244 OE1 GLU A 20 12.857 13.487 -12.528 1.00 0.00 O ATOM 245 OE2 GLU A 20 13.624 12.339 -14.238 1.00 0.00 O ATOM 0 H GLU A 20 8.851 10.425 -11.765 1.00 0.00 H new ATOM 0 HA GLU A 20 11.355 9.095 -11.110 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.992 10.296 -13.263 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.733 11.790 -12.384 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.139 11.159 -11.366 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.272 10.285 -12.879 1.00 0.00 H new ATOM 252 N LEU A 21 11.687 10.121 -8.876 1.00 0.00 N ATOM 253 CA LEU A 21 12.041 10.743 -7.605 1.00 0.00 C ATOM 254 C LEU A 21 13.498 11.193 -7.605 1.00 0.00 C ATOM 255 O LEU A 21 14.367 10.518 -8.157 1.00 0.00 O ATOM 256 CB LEU A 21 11.797 9.767 -6.452 1.00 0.00 C ATOM 257 CG LEU A 21 10.405 9.137 -6.389 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.344 8.087 -5.291 1.00 0.00 C ATOM 259 CD2 LEU A 21 9.345 10.206 -6.168 1.00 0.00 C ATOM 0 H LEU A 21 11.900 9.125 -8.932 1.00 0.00 H new ATOM 0 HA LEU A 21 11.409 11.621 -7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.534 8.966 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.979 10.291 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 21 10.205 8.648 -7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.346 7.650 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.077 7.306 -5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.565 8.552 -4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.361 9.739 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.541 10.724 -5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.373 10.921 -6.990 1.00 0.00 H new ATOM 271 N VAL A 22 13.759 12.338 -6.981 1.00 0.00 N ATOM 272 CA VAL A 22 15.111 12.877 -6.907 1.00 0.00 C ATOM 273 C VAL A 22 15.696 12.703 -5.509 1.00 0.00 C ATOM 274 O VAL A 22 15.019 12.940 -4.508 1.00 0.00 O ATOM 275 CB VAL A 22 15.141 14.371 -7.281 1.00 0.00 C ATOM 276 CG1 VAL A 22 14.345 15.189 -6.277 1.00 0.00 C ATOM 277 CG2 VAL A 22 16.576 14.869 -7.369 1.00 0.00 C ATOM 0 H VAL A 22 13.051 12.910 -6.520 1.00 0.00 H new ATOM 0 HA VAL A 22 15.714 12.318 -7.623 1.00 0.00 H new ATOM 0 HB VAL A 22 14.678 14.492 -8.260 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.378 16.242 -6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.310 14.848 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.776 15.065 -5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.579 15.926 -7.634 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.067 14.735 -6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.112 14.303 -8.131 1.00 0.00 H new ATOM 287 N ARG A 23 16.957 12.288 -5.449 1.00 0.00 N ATOM 288 CA ARG A 23 17.633 12.081 -4.175 1.00 0.00 C ATOM 289 C ARG A 23 18.800 13.050 -4.015 1.00 0.00 C ATOM 290 O ARG A 23 19.817 12.933 -4.698 1.00 0.00 O ATOM 291 CB ARG A 23 18.135 10.640 -4.067 1.00 0.00 C ATOM 292 CG ARG A 23 17.040 9.599 -4.235 1.00 0.00 C ATOM 293 CD ARG A 23 17.618 8.199 -4.370 1.00 0.00 C ATOM 294 NE ARG A 23 18.655 7.937 -3.376 1.00 0.00 N ATOM 295 CZ ARG A 23 18.960 6.722 -2.934 1.00 0.00 C ATOM 296 NH1 ARG A 23 18.311 5.662 -3.397 1.00 0.00 N ATOM 297 NH2 ARG A 23 19.917 6.564 -2.029 1.00 0.00 N ATOM 0 H ARG A 23 17.531 12.089 -6.268 1.00 0.00 H new ATOM 0 HA ARG A 23 16.915 12.269 -3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 23 18.902 10.474 -4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 23 18.610 10.502 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 23 16.368 9.635 -3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 23 16.445 9.835 -5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 23 16.819 7.465 -4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 23 18.034 8.073 -5.370 1.00 0.00 H new ATOM 0 HE ARG A 23 19.174 8.731 -3.000 1.00 0.00 H new ATOM 0 HH11 ARG A 23 17.576 5.779 -4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 23 18.547 4.730 -3.056 1.00 0.00 H new ATOM 0 HH21 ARG A 23 20.420 7.376 -1.671 1.00 0.00 H new ATOM 0 HH22 ARG A 23 20.150 5.630 -1.691 1.00 0.00 H new ATOM 311 N LYS A 24 18.646 14.009 -3.107 1.00 0.00 N ATOM 312 CA LYS A 24 19.686 14.999 -2.856 1.00 0.00 C ATOM 313 C LYS A 24 21.039 14.327 -2.646 1.00 0.00 C ATOM 314 O LYS A 24 21.149 13.102 -2.703 1.00 0.00 O ATOM 315 CB LYS A 24 19.329 15.844 -1.631 1.00 0.00 C ATOM 316 CG LYS A 24 18.351 16.967 -1.930 1.00 0.00 C ATOM 317 CD LYS A 24 19.070 18.231 -2.370 1.00 0.00 C ATOM 318 CE LYS A 24 18.128 19.190 -3.082 1.00 0.00 C ATOM 319 NZ LYS A 24 17.663 18.644 -4.387 1.00 0.00 N ATOM 0 H LYS A 24 17.810 14.121 -2.533 1.00 0.00 H new ATOM 0 HA LYS A 24 19.754 15.647 -3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.902 15.196 -0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 24 20.242 16.270 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.660 16.650 -2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.755 17.177 -1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 24 19.505 18.725 -1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.894 17.970 -3.033 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.267 19.393 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.634 20.141 -3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.349 19.425 -4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.444 18.136 -4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.871 17.989 -4.227 1.00 0.00 H new ATOM 333 N ASP A 25 22.065 15.134 -2.400 1.00 0.00 N ATOM 334 CA ASP A 25 23.410 14.617 -2.179 1.00 0.00 C ATOM 335 C ASP A 25 23.512 13.934 -0.818 1.00 0.00 C ATOM 336 O ASP A 25 23.956 14.536 0.158 1.00 0.00 O ATOM 337 CB ASP A 25 24.436 15.746 -2.275 1.00 0.00 C ATOM 338 CG ASP A 25 24.369 16.478 -3.601 1.00 0.00 C ATOM 339 OD1 ASP A 25 24.718 15.869 -4.634 1.00 0.00 O ATOM 340 OD2 ASP A 25 23.968 17.661 -3.606 1.00 0.00 O ATOM 0 H ASP A 25 21.991 16.150 -2.349 1.00 0.00 H new ATOM 0 HA ASP A 25 23.621 13.879 -2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 25 24.269 16.454 -1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 25 25.437 15.336 -2.140 1.00 0.00 H new ATOM 345 N GLY A 26 23.097 12.672 -0.762 1.00 0.00 N ATOM 346 CA GLY A 26 23.149 11.929 0.483 1.00 0.00 C ATOM 347 C GLY A 26 21.779 11.748 1.108 1.00 0.00 C ATOM 348 O GLY A 26 21.642 11.768 2.331 1.00 0.00 O ATOM 0 H GLY A 26 22.726 12.151 -1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.594 10.951 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.800 12.449 1.186 1.00 0.00 H new ATOM 352 N GLN A 27 20.765 11.573 0.267 1.00 0.00 N ATOM 353 CA GLN A 27 19.400 11.391 0.745 1.00 0.00 C ATOM 354 C GLN A 27 18.838 10.048 0.290 1.00 0.00 C ATOM 355 O GLN A 27 19.016 9.647 -0.860 1.00 0.00 O ATOM 356 CB GLN A 27 18.506 12.527 0.245 1.00 0.00 C ATOM 357 CG GLN A 27 17.034 12.332 0.572 1.00 0.00 C ATOM 358 CD GLN A 27 16.268 13.639 0.613 1.00 0.00 C ATOM 359 OE1 GLN A 27 16.298 14.359 1.612 1.00 0.00 O ATOM 360 NE2 GLN A 27 15.575 13.954 -0.475 1.00 0.00 N ATOM 0 H GLN A 27 20.863 11.553 -0.748 1.00 0.00 H new ATOM 0 HA GLN A 27 19.419 11.406 1.835 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.846 13.465 0.683 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.621 12.620 -0.835 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.584 11.675 -0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.943 11.831 1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.578 13.328 -1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.040 14.822 -0.505 1.00 0.00 H new ATOM 369 N SER A 28 18.160 9.357 1.201 1.00 0.00 N ATOM 370 CA SER A 28 17.576 8.056 0.894 1.00 0.00 C ATOM 371 C SER A 28 16.213 8.217 0.226 1.00 0.00 C ATOM 372 O SER A 28 15.551 9.244 0.379 1.00 0.00 O ATOM 373 CB SER A 28 17.436 7.223 2.170 1.00 0.00 C ATOM 374 OG SER A 28 16.453 7.771 3.031 1.00 0.00 O ATOM 0 H SER A 28 18.002 9.676 2.157 1.00 0.00 H new ATOM 0 HA SER A 28 18.242 7.540 0.202 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.168 6.199 1.912 1.00 0.00 H new ATOM 0 HB3 SER A 28 18.394 7.181 2.687 1.00 0.00 H new ATOM 0 HG SER A 28 16.381 7.220 3.838 1.00 0.00 H new ATOM 380 N LEU A 29 15.802 7.194 -0.516 1.00 0.00 N ATOM 381 CA LEU A 29 14.518 7.220 -1.209 1.00 0.00 C ATOM 382 C LEU A 29 13.401 7.662 -0.269 1.00 0.00 C ATOM 383 O LEU A 29 12.651 8.589 -0.572 1.00 0.00 O ATOM 384 CB LEU A 29 14.200 5.839 -1.784 1.00 0.00 C ATOM 385 CG LEU A 29 13.134 5.798 -2.880 1.00 0.00 C ATOM 386 CD1 LEU A 29 13.636 6.489 -4.139 1.00 0.00 C ATOM 387 CD2 LEU A 29 12.734 4.361 -3.182 1.00 0.00 C ATOM 0 H LEU A 29 16.338 6.337 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 29 14.587 7.940 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.120 5.413 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.878 5.193 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 29 12.253 6.332 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.864 6.450 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.872 7.529 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.532 5.984 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.975 4.351 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.608 3.803 -3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.332 3.898 -2.281 1.00 0.00 H new ATOM 399 N GLY A 30 13.297 6.992 0.875 1.00 0.00 N ATOM 400 CA GLY A 30 12.270 7.331 1.843 1.00 0.00 C ATOM 401 C GLY A 30 10.934 6.692 1.519 1.00 0.00 C ATOM 402 O GLY A 30 9.909 7.373 1.466 1.00 0.00 O ATOM 0 H GLY A 30 13.906 6.221 1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.591 7.012 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.152 8.414 1.879 1.00 0.00 H new ATOM 406 N ILE A 31 10.945 5.382 1.299 1.00 0.00 N ATOM 407 CA ILE A 31 9.725 4.651 0.978 1.00 0.00 C ATOM 408 C ILE A 31 9.717 3.277 1.639 1.00 0.00 C ATOM 409 O ILE A 31 10.529 2.413 1.308 1.00 0.00 O ATOM 410 CB ILE A 31 9.556 4.478 -0.543 1.00 0.00 C ATOM 411 CG1 ILE A 31 9.420 5.843 -1.222 1.00 0.00 C ATOM 412 CG2 ILE A 31 8.347 3.607 -0.846 1.00 0.00 C ATOM 413 CD1 ILE A 31 9.354 5.763 -2.731 1.00 0.00 C ATOM 0 H ILE A 31 11.785 4.805 1.337 1.00 0.00 H new ATOM 0 HA ILE A 31 8.893 5.241 1.363 1.00 0.00 H new ATOM 0 HB ILE A 31 10.443 3.984 -0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.521 6.336 -0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.266 6.468 -0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.241 3.494 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.482 2.626 -0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.450 4.075 -0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.258 6.767 -3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.264 5.299 -3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.492 5.165 -3.026 1.00 0.00 H new ATOM 425 N ARG A 32 8.792 3.081 2.573 1.00 0.00 N ATOM 426 CA ARG A 32 8.677 1.812 3.280 1.00 0.00 C ATOM 427 C ARG A 32 7.836 0.820 2.483 1.00 0.00 C ATOM 428 O ARG A 32 6.876 1.202 1.814 1.00 0.00 O ATOM 429 CB ARG A 32 8.058 2.027 4.662 1.00 0.00 C ATOM 430 CG ARG A 32 8.889 2.920 5.570 1.00 0.00 C ATOM 431 CD ARG A 32 8.706 2.550 7.033 1.00 0.00 C ATOM 432 NE ARG A 32 8.994 3.674 7.921 1.00 0.00 N ATOM 433 CZ ARG A 32 9.028 3.573 9.245 1.00 0.00 C ATOM 434 NH1 ARG A 32 8.793 2.408 9.832 1.00 0.00 N ATOM 435 NH2 ARG A 32 9.298 4.641 9.986 1.00 0.00 N ATOM 0 H ARG A 32 8.111 3.785 2.857 1.00 0.00 H new ATOM 0 HA ARG A 32 9.679 1.400 3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.067 2.466 4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.922 1.059 5.144 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.942 2.835 5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.604 3.961 5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.683 2.212 7.196 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.361 1.715 7.281 1.00 0.00 H new ATOM 0 HE ARG A 32 9.179 4.585 7.502 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.585 1.585 9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.820 2.335 10.849 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.479 5.540 9.539 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.324 4.563 11.003 1.00 0.00 H new ATOM 449 N ILE A 33 8.203 -0.455 2.559 1.00 0.00 N ATOM 450 CA ILE A 33 7.481 -1.501 1.845 1.00 0.00 C ATOM 451 C ILE A 33 6.942 -2.553 2.809 1.00 0.00 C ATOM 452 O ILE A 33 7.272 -2.551 3.995 1.00 0.00 O ATOM 453 CB ILE A 33 8.378 -2.191 0.800 1.00 0.00 C ATOM 454 CG1 ILE A 33 9.593 -2.827 1.479 1.00 0.00 C ATOM 455 CG2 ILE A 33 8.819 -1.193 -0.260 1.00 0.00 C ATOM 456 CD1 ILE A 33 10.160 -4.007 0.721 1.00 0.00 C ATOM 0 H ILE A 33 8.996 -0.788 3.108 1.00 0.00 H new ATOM 0 HA ILE A 33 6.648 -1.018 1.335 1.00 0.00 H new ATOM 0 HB ILE A 33 7.804 -2.979 0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.371 -2.072 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.311 -3.151 2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.452 -1.695 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.942 -0.782 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.379 -0.385 0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.018 -4.407 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.397 -4.780 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.473 -3.685 -0.272 1.00 0.00 H new ATOM 468 N VAL A 34 6.111 -3.452 2.291 1.00 0.00 N ATOM 469 CA VAL A 34 5.527 -4.512 3.104 1.00 0.00 C ATOM 470 C VAL A 34 5.139 -5.712 2.248 1.00 0.00 C ATOM 471 O VAL A 34 4.662 -5.557 1.124 1.00 0.00 O ATOM 472 CB VAL A 34 4.284 -4.015 3.866 1.00 0.00 C ATOM 473 CG1 VAL A 34 3.099 -3.880 2.922 1.00 0.00 C ATOM 474 CG2 VAL A 34 3.955 -4.953 5.017 1.00 0.00 C ATOM 0 H VAL A 34 5.827 -3.467 1.311 1.00 0.00 H new ATOM 0 HA VAL A 34 6.288 -4.814 3.823 1.00 0.00 H new ATOM 0 HB VAL A 34 4.502 -3.031 4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.230 -3.528 3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.340 -3.166 2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.877 -4.850 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.074 -4.587 5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.756 -5.951 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.799 -4.994 5.705 1.00 0.00 H new ATOM 484 N GLY A 35 5.348 -6.909 2.787 1.00 0.00 N ATOM 485 CA GLY A 35 5.014 -8.119 2.058 1.00 0.00 C ATOM 486 C GLY A 35 3.665 -8.683 2.459 1.00 0.00 C ATOM 487 O GLY A 35 3.374 -8.830 3.646 1.00 0.00 O ATOM 0 H GLY A 35 5.742 -7.063 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.012 -7.907 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.785 -8.870 2.233 1.00 0.00 H new ATOM 491 N TYR A 36 2.840 -8.999 1.467 1.00 0.00 N ATOM 492 CA TYR A 36 1.513 -9.547 1.722 1.00 0.00 C ATOM 493 C TYR A 36 1.313 -10.862 0.975 1.00 0.00 C ATOM 494 O TYR A 36 1.883 -11.075 -0.095 1.00 0.00 O ATOM 495 CB TYR A 36 0.436 -8.543 1.307 1.00 0.00 C ATOM 496 CG TYR A 36 -0.044 -7.666 2.441 1.00 0.00 C ATOM 497 CD1 TYR A 36 0.617 -6.486 2.759 1.00 0.00 C ATOM 498 CD2 TYR A 36 -1.157 -8.017 3.195 1.00 0.00 C ATOM 499 CE1 TYR A 36 0.182 -5.681 3.795 1.00 0.00 C ATOM 500 CE2 TYR A 36 -1.599 -7.218 4.231 1.00 0.00 C ATOM 501 CZ TYR A 36 -0.926 -6.051 4.528 1.00 0.00 C ATOM 502 OH TYR A 36 -1.362 -5.253 5.560 1.00 0.00 O ATOM 0 H TYR A 36 3.067 -8.885 0.479 1.00 0.00 H new ATOM 0 HA TYR A 36 1.427 -9.741 2.791 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.828 -7.910 0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.414 -9.085 0.893 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.485 -6.193 2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.686 -8.931 2.967 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.707 -4.767 4.029 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.467 -7.505 4.806 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.154 -5.656 5.973 1.00 0.00 H new ATOM 624 N SER A 46 -2.029 -9.939 -2.392 1.00 0.00 N ATOM 625 CA SER A 46 -0.609 -10.250 -2.282 1.00 0.00 C ATOM 626 C SER A 46 0.221 -9.314 -3.155 1.00 0.00 C ATOM 627 O SER A 46 -0.155 -9.003 -4.284 1.00 0.00 O ATOM 628 CB SER A 46 -0.351 -11.703 -2.685 1.00 0.00 C ATOM 629 OG SER A 46 -0.396 -11.858 -4.092 1.00 0.00 O ATOM 0 HA SER A 46 -0.311 -10.110 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.623 -12.019 -2.312 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.095 -12.350 -2.221 1.00 0.00 H new ATOM 0 HG SER A 46 -0.227 -12.795 -4.323 1.00 0.00 H new ATOM 635 N GLY A 47 1.354 -8.867 -2.621 1.00 0.00 N ATOM 636 CA GLY A 47 2.221 -7.970 -3.364 1.00 0.00 C ATOM 637 C GLY A 47 2.891 -6.942 -2.474 1.00 0.00 C ATOM 638 O GLY A 47 2.601 -6.862 -1.280 1.00 0.00 O ATOM 0 H GLY A 47 1.687 -9.110 -1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.985 -8.552 -3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.638 -7.458 -4.130 1.00 0.00 H new ATOM 642 N ILE A 48 3.790 -6.155 -3.055 1.00 0.00 N ATOM 643 CA ILE A 48 4.503 -5.128 -2.306 1.00 0.00 C ATOM 644 C ILE A 48 3.696 -3.835 -2.240 1.00 0.00 C ATOM 645 O ILE A 48 3.241 -3.322 -3.262 1.00 0.00 O ATOM 646 CB ILE A 48 5.879 -4.829 -2.929 1.00 0.00 C ATOM 647 CG1 ILE A 48 6.701 -6.114 -3.045 1.00 0.00 C ATOM 648 CG2 ILE A 48 6.622 -3.791 -2.101 1.00 0.00 C ATOM 649 CD1 ILE A 48 7.047 -6.732 -1.708 1.00 0.00 C ATOM 0 H ILE A 48 4.042 -6.209 -4.042 1.00 0.00 H new ATOM 0 HA ILE A 48 4.646 -5.516 -1.298 1.00 0.00 H new ATOM 0 HB ILE A 48 5.728 -4.425 -3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.145 -6.839 -3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.622 -5.899 -3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.593 -3.591 -2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.041 -2.870 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.766 -4.168 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.630 -7.639 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.631 -6.024 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.130 -6.979 -1.173 1.00 0.00 H new ATOM 661 N TYR A 49 3.523 -3.313 -1.031 1.00 0.00 N ATOM 662 CA TYR A 49 2.771 -2.081 -0.831 1.00 0.00 C ATOM 663 C TYR A 49 3.565 -1.088 0.012 1.00 0.00 C ATOM 664 O TYR A 49 4.492 -1.465 0.728 1.00 0.00 O ATOM 665 CB TYR A 49 1.431 -2.380 -0.156 1.00 0.00 C ATOM 666 CG TYR A 49 0.517 -3.253 -0.987 1.00 0.00 C ATOM 667 CD1 TYR A 49 0.635 -4.638 -0.961 1.00 0.00 C ATOM 668 CD2 TYR A 49 -0.463 -2.694 -1.797 1.00 0.00 C ATOM 669 CE1 TYR A 49 -0.197 -5.439 -1.719 1.00 0.00 C ATOM 670 CE2 TYR A 49 -1.300 -3.488 -2.557 1.00 0.00 C ATOM 671 CZ TYR A 49 -1.164 -4.860 -2.515 1.00 0.00 C ATOM 672 OH TYR A 49 -1.995 -5.654 -3.271 1.00 0.00 O ATOM 0 H TYR A 49 3.894 -3.724 -0.174 1.00 0.00 H new ATOM 0 HA TYR A 49 2.588 -1.636 -1.809 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.616 -2.869 0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.924 -1.439 0.060 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.389 -5.095 -0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.573 -1.620 -1.833 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.091 -6.513 -1.689 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.057 -3.037 -3.181 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.619 -5.089 -3.773 1.00 0.00 H new ATOM 682 N VAL A 50 3.195 0.186 -0.080 1.00 0.00 N ATOM 683 CA VAL A 50 3.870 1.235 0.674 1.00 0.00 C ATOM 684 C VAL A 50 3.342 1.313 2.102 1.00 0.00 C ATOM 685 O VAL A 50 2.269 1.864 2.350 1.00 0.00 O ATOM 686 CB VAL A 50 3.701 2.609 0.000 1.00 0.00 C ATOM 687 CG1 VAL A 50 4.196 3.718 0.915 1.00 0.00 C ATOM 688 CG2 VAL A 50 4.431 2.641 -1.334 1.00 0.00 C ATOM 0 H VAL A 50 2.431 0.516 -0.670 1.00 0.00 H new ATOM 0 HA VAL A 50 4.929 0.977 0.695 1.00 0.00 H new ATOM 0 HB VAL A 50 2.640 2.774 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.068 4.681 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.624 3.707 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.251 3.562 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.301 3.619 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.493 2.454 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.023 1.872 -1.990 1.00 0.00 H new ATOM 698 N LYS A 51 4.102 0.758 3.040 1.00 0.00 N ATOM 699 CA LYS A 51 3.712 0.765 4.445 1.00 0.00 C ATOM 700 C LYS A 51 3.729 2.183 5.007 1.00 0.00 C ATOM 701 O LYS A 51 2.898 2.540 5.841 1.00 0.00 O ATOM 702 CB LYS A 51 4.649 -0.129 5.260 1.00 0.00 C ATOM 703 CG LYS A 51 4.332 -0.149 6.745 1.00 0.00 C ATOM 704 CD LYS A 51 3.252 -1.168 7.071 1.00 0.00 C ATOM 705 CE LYS A 51 3.417 -1.724 8.477 1.00 0.00 C ATOM 706 NZ LYS A 51 4.648 -2.553 8.605 1.00 0.00 N ATOM 0 H LYS A 51 4.992 0.297 2.852 1.00 0.00 H new ATOM 0 HA LYS A 51 2.696 0.377 4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.596 -1.146 4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.675 0.212 5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.236 -0.383 7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.006 0.842 7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.271 -0.703 6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.290 -1.984 6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.458 -0.901 9.190 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.545 -2.326 8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.535 -3.223 9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.805 -3.079 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.464 -1.936 8.790 1.00 0.00 H new ATOM 720 N SER A 52 4.680 2.987 4.543 1.00 0.00 N ATOM 721 CA SER A 52 4.807 4.366 5.001 1.00 0.00 C ATOM 722 C SER A 52 5.704 5.170 4.065 1.00 0.00 C ATOM 723 O SER A 52 6.293 4.625 3.131 1.00 0.00 O ATOM 724 CB SER A 52 5.370 4.403 6.423 1.00 0.00 C ATOM 725 OG SER A 52 4.330 4.366 7.385 1.00 0.00 O ATOM 0 H SER A 52 5.374 2.707 3.850 1.00 0.00 H new ATOM 0 HA SER A 52 3.814 4.816 4.999 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.040 3.556 6.574 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.963 5.307 6.559 1.00 0.00 H new ATOM 0 HG SER A 52 3.627 3.754 7.083 1.00 0.00 H new ATOM 731 N VAL A 53 5.804 6.470 4.323 1.00 0.00 N ATOM 732 CA VAL A 53 6.629 7.350 3.505 1.00 0.00 C ATOM 733 C VAL A 53 7.480 8.270 4.374 1.00 0.00 C ATOM 734 O VAL A 53 7.022 9.326 4.811 1.00 0.00 O ATOM 735 CB VAL A 53 5.769 8.208 2.558 1.00 0.00 C ATOM 736 CG1 VAL A 53 6.639 9.187 1.785 1.00 0.00 C ATOM 737 CG2 VAL A 53 4.977 7.321 1.609 1.00 0.00 C ATOM 0 H VAL A 53 5.324 6.937 5.092 1.00 0.00 H new ATOM 0 HA VAL A 53 7.281 6.710 2.911 1.00 0.00 H new ATOM 0 HB VAL A 53 5.063 8.783 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.014 9.784 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.157 9.844 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.371 8.636 1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.375 7.943 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.664 6.719 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.324 6.665 2.184 1.00 0.00 H new ATOM 747 N ILE A 54 8.720 7.862 4.620 1.00 0.00 N ATOM 748 CA ILE A 54 9.636 8.650 5.436 1.00 0.00 C ATOM 749 C ILE A 54 9.512 10.136 5.120 1.00 0.00 C ATOM 750 O ILE A 54 9.509 10.552 3.961 1.00 0.00 O ATOM 751 CB ILE A 54 11.097 8.211 5.225 1.00 0.00 C ATOM 752 CG1 ILE A 54 11.325 6.820 5.819 1.00 0.00 C ATOM 753 CG2 ILE A 54 12.048 9.222 5.849 1.00 0.00 C ATOM 754 CD1 ILE A 54 11.023 5.694 4.854 1.00 0.00 C ATOM 0 H ILE A 54 9.114 6.990 4.266 1.00 0.00 H new ATOM 0 HA ILE A 54 9.361 8.478 6.477 1.00 0.00 H new ATOM 0 HB ILE A 54 11.297 8.165 4.154 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.362 6.739 6.146 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.701 6.705 6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.077 8.899 5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 54 11.899 10.197 5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.850 9.296 6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.207 4.737 5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.979 5.749 4.545 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.665 5.783 3.978 1.00 0.00 H new ATOM 766 N PRO A 55 9.410 10.959 6.174 1.00 0.00 N ATOM 767 CA PRO A 55 9.287 12.413 6.035 1.00 0.00 C ATOM 768 C PRO A 55 10.574 13.058 5.532 1.00 0.00 C ATOM 769 O PRO A 55 11.651 12.468 5.618 1.00 0.00 O ATOM 770 CB PRO A 55 8.976 12.880 7.459 1.00 0.00 C ATOM 771 CG PRO A 55 9.552 11.825 8.339 1.00 0.00 C ATOM 772 CD PRO A 55 9.408 10.533 7.584 1.00 0.00 C ATOM 0 HA PRO A 55 8.526 12.690 5.305 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.423 13.853 7.663 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.902 12.983 7.616 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.599 12.032 8.563 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.025 11.781 9.292 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.229 9.849 7.798 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.485 10.015 7.846 1.00 0.00 H new ATOM 780 N GLY A 56 10.456 14.274 5.007 1.00 0.00 N ATOM 781 CA GLY A 56 11.618 14.979 4.499 1.00 0.00 C ATOM 782 C GLY A 56 12.469 14.114 3.591 1.00 0.00 C ATOM 783 O GLY A 56 13.695 14.223 3.589 1.00 0.00 O ATOM 0 H GLY A 56 9.576 14.783 4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.292 15.864 3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.223 15.327 5.336 1.00 0.00 H new ATOM 787 N SER A 57 11.818 13.250 2.818 1.00 0.00 N ATOM 788 CA SER A 57 12.524 12.359 1.905 1.00 0.00 C ATOM 789 C SER A 57 12.127 12.637 0.458 1.00 0.00 C ATOM 790 O SER A 57 11.251 13.459 0.191 1.00 0.00 O ATOM 791 CB SER A 57 12.230 10.899 2.254 1.00 0.00 C ATOM 792 OG SER A 57 10.909 10.542 1.883 1.00 0.00 O ATOM 0 H SER A 57 10.803 13.148 2.806 1.00 0.00 H new ATOM 0 HA SER A 57 13.593 12.543 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.942 10.250 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.365 10.743 3.324 1.00 0.00 H new ATOM 0 HG SER A 57 10.280 10.864 2.562 1.00 0.00 H new ATOM 798 N ALA A 58 12.779 11.946 -0.471 1.00 0.00 N ATOM 799 CA ALA A 58 12.494 12.117 -1.890 1.00 0.00 C ATOM 800 C ALA A 58 11.019 11.869 -2.188 1.00 0.00 C ATOM 801 O ALA A 58 10.333 12.731 -2.735 1.00 0.00 O ATOM 802 CB ALA A 58 13.366 11.185 -2.719 1.00 0.00 C ATOM 0 H ALA A 58 13.508 11.263 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 58 12.723 13.148 -2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.143 11.323 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.416 11.412 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.164 10.152 -2.437 1.00 0.00 H new ATOM 808 N ALA A 59 10.539 10.684 -1.824 1.00 0.00 N ATOM 809 CA ALA A 59 9.145 10.323 -2.051 1.00 0.00 C ATOM 810 C ALA A 59 8.205 11.396 -1.510 1.00 0.00 C ATOM 811 O ALA A 59 7.231 11.769 -2.165 1.00 0.00 O ATOM 812 CB ALA A 59 8.837 8.978 -1.411 1.00 0.00 C ATOM 0 H ALA A 59 11.095 9.958 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 59 8.986 10.246 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.793 8.721 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.478 8.212 -1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.019 9.035 -0.338 1.00 0.00 H new ATOM 818 N TYR A 60 8.502 11.887 -0.312 1.00 0.00 N ATOM 819 CA TYR A 60 7.682 12.914 0.318 1.00 0.00 C ATOM 820 C TYR A 60 7.751 14.222 -0.464 1.00 0.00 C ATOM 821 O TYR A 60 6.727 14.845 -0.748 1.00 0.00 O ATOM 822 CB TYR A 60 8.136 13.145 1.760 1.00 0.00 C ATOM 823 CG TYR A 60 7.420 14.288 2.444 1.00 0.00 C ATOM 824 CD1 TYR A 60 7.855 15.598 2.287 1.00 0.00 C ATOM 825 CD2 TYR A 60 6.311 14.058 3.248 1.00 0.00 C ATOM 826 CE1 TYR A 60 7.205 16.646 2.911 1.00 0.00 C ATOM 827 CE2 TYR A 60 5.654 15.099 3.874 1.00 0.00 C ATOM 828 CZ TYR A 60 6.105 16.392 3.703 1.00 0.00 C ATOM 829 OH TYR A 60 5.454 17.432 4.326 1.00 0.00 O ATOM 0 H TYR A 60 9.305 11.590 0.242 1.00 0.00 H new ATOM 0 HA TYR A 60 6.649 12.567 0.320 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.976 12.232 2.333 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.208 13.342 1.767 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.716 15.801 1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.956 13.047 3.386 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.557 17.659 2.779 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.792 14.902 4.494 1.00 0.00 H new ATOM 0 HH TYR A 60 4.700 17.082 4.845 1.00 0.00 H new ATOM 839 N HIS A 61 8.967 14.633 -0.811 1.00 0.00 N ATOM 840 CA HIS A 61 9.172 15.866 -1.562 1.00 0.00 C ATOM 841 C HIS A 61 8.384 15.844 -2.869 1.00 0.00 C ATOM 842 O HIS A 61 7.681 16.799 -3.196 1.00 0.00 O ATOM 843 CB HIS A 61 10.659 16.070 -1.854 1.00 0.00 C ATOM 844 CG HIS A 61 11.405 16.724 -0.732 1.00 0.00 C ATOM 845 ND1 HIS A 61 10.911 17.802 -0.027 1.00 0.00 N ATOM 846 CD2 HIS A 61 12.614 16.446 -0.192 1.00 0.00 C ATOM 847 CE1 HIS A 61 11.786 18.160 0.896 1.00 0.00 C ATOM 848 NE2 HIS A 61 12.828 17.352 0.818 1.00 0.00 N ATOM 0 H HIS A 61 9.825 14.130 -0.584 1.00 0.00 H new ATOM 0 HA HIS A 61 8.812 16.696 -0.954 1.00 0.00 H new ATOM 0 HB2 HIS A 61 11.115 15.103 -2.068 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.764 16.678 -2.753 1.00 0.00 H new ATOM 0 HD2 HIS A 61 13.286 15.658 -0.498 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.669 18.975 1.595 1.00 0.00 H new ATOM 0 HE2 HIS A 61 13.657 17.394 1.411 1.00 0.00 H new ATOM 857 N ASN A 62 8.508 14.748 -3.610 1.00 0.00 N ATOM 858 CA ASN A 62 7.808 14.603 -4.882 1.00 0.00 C ATOM 859 C ASN A 62 6.298 14.712 -4.687 1.00 0.00 C ATOM 860 O ASN A 62 5.617 15.424 -5.423 1.00 0.00 O ATOM 861 CB ASN A 62 8.155 13.260 -5.528 1.00 0.00 C ATOM 862 CG ASN A 62 8.122 13.322 -7.043 1.00 0.00 C ATOM 863 OD1 ASN A 62 7.557 12.294 -7.665 1.00 0.00 O flip ATOM 864 ND2 ASN A 62 8.600 14.283 -7.646 1.00 0.00 N flip ATOM 0 H ASN A 62 9.086 13.948 -3.352 1.00 0.00 H new ATOM 0 HA ASN A 62 8.131 15.409 -5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.147 12.948 -5.201 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.453 12.501 -5.183 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.025 15.051 -7.126 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.571 14.311 -8.665 1.00 0.00 H new ATOM 871 N GLY A 63 5.783 13.999 -3.690 1.00 0.00 N ATOM 872 CA GLY A 63 4.358 14.029 -3.416 1.00 0.00 C ATOM 873 C GLY A 63 3.555 13.241 -4.433 1.00 0.00 C ATOM 874 O GLY A 63 2.432 13.615 -4.772 1.00 0.00 O ATOM 0 H GLY A 63 6.327 13.401 -3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.174 13.625 -2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.014 15.063 -3.409 1.00 0.00 H new ATOM 878 N HIS A 64 4.133 12.149 -4.922 1.00 0.00 N ATOM 879 CA HIS A 64 3.464 11.306 -5.907 1.00 0.00 C ATOM 880 C HIS A 64 3.218 9.908 -5.349 1.00 0.00 C ATOM 881 O HIS A 64 2.168 9.311 -5.586 1.00 0.00 O ATOM 882 CB HIS A 64 4.298 11.219 -7.185 1.00 0.00 C ATOM 883 CG HIS A 64 4.081 12.366 -8.123 1.00 0.00 C ATOM 884 ND1 HIS A 64 3.798 12.201 -9.462 1.00 0.00 N ATOM 885 CD2 HIS A 64 4.105 13.702 -7.907 1.00 0.00 C ATOM 886 CE1 HIS A 64 3.658 13.386 -10.030 1.00 0.00 C ATOM 887 NE2 HIS A 64 3.839 14.314 -9.107 1.00 0.00 N ATOM 0 H HIS A 64 5.063 11.827 -4.653 1.00 0.00 H new ATOM 0 HA HIS A 64 2.500 11.758 -6.141 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.354 11.174 -6.917 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.060 10.289 -7.701 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.298 14.195 -6.966 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.434 13.565 -11.071 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.789 15.321 -9.261 1.00 0.00 H new ATOM 896 N ILE A 65 4.193 9.392 -4.608 1.00 0.00 N ATOM 897 CA ILE A 65 4.082 8.065 -4.017 1.00 0.00 C ATOM 898 C ILE A 65 3.593 8.145 -2.575 1.00 0.00 C ATOM 899 O ILE A 65 4.145 8.886 -1.762 1.00 0.00 O ATOM 900 CB ILE A 65 5.429 7.319 -4.049 1.00 0.00 C ATOM 901 CG1 ILE A 65 5.885 7.107 -5.494 1.00 0.00 C ATOM 902 CG2 ILE A 65 5.315 5.987 -3.323 1.00 0.00 C ATOM 903 CD1 ILE A 65 7.389 7.067 -5.654 1.00 0.00 C ATOM 0 H ILE A 65 5.069 9.873 -4.403 1.00 0.00 H new ATOM 0 HA ILE A 65 3.356 7.514 -4.615 1.00 0.00 H new ATOM 0 HB ILE A 65 6.176 7.926 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.463 6.173 -5.866 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.483 7.908 -6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.275 5.472 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.031 6.161 -2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.557 5.372 -3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.639 6.914 -6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.816 8.010 -5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.796 6.248 -5.061 1.00 0.00 H new ATOM 915 N GLN A 66 2.555 7.375 -2.264 1.00 0.00 N ATOM 916 CA GLN A 66 1.992 7.358 -0.919 1.00 0.00 C ATOM 917 C GLN A 66 1.522 5.957 -0.543 1.00 0.00 C ATOM 918 O GLN A 66 1.512 5.050 -1.376 1.00 0.00 O ATOM 919 CB GLN A 66 0.827 8.344 -0.819 1.00 0.00 C ATOM 920 CG GLN A 66 1.126 9.703 -1.430 1.00 0.00 C ATOM 921 CD GLN A 66 0.750 9.780 -2.896 1.00 0.00 C ATOM 922 OE1 GLN A 66 0.079 8.892 -3.424 1.00 0.00 O ATOM 923 NE2 GLN A 66 1.180 10.844 -3.563 1.00 0.00 N ATOM 0 H GLN A 66 2.087 6.755 -2.925 1.00 0.00 H new ATOM 0 HA GLN A 66 2.774 7.658 -0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.044 7.916 -1.315 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.563 8.477 0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.584 10.472 -0.879 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.188 9.921 -1.320 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.733 11.556 -3.086 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.957 10.950 -4.553 1.00 0.00 H new ATOM 932 N VAL A 67 1.132 5.787 0.716 1.00 0.00 N ATOM 933 CA VAL A 67 0.660 4.496 1.203 1.00 0.00 C ATOM 934 C VAL A 67 -0.556 4.023 0.415 1.00 0.00 C ATOM 935 O VAL A 67 -1.096 4.757 -0.412 1.00 0.00 O ATOM 936 CB VAL A 67 0.297 4.558 2.698 1.00 0.00 C ATOM 937 CG1 VAL A 67 1.533 4.845 3.537 1.00 0.00 C ATOM 938 CG2 VAL A 67 -0.778 5.607 2.942 1.00 0.00 C ATOM 0 H VAL A 67 1.134 6.527 1.418 1.00 0.00 H new ATOM 0 HA VAL A 67 1.477 3.788 1.065 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.099 3.588 2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.256 4.885 4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.268 4.054 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.962 5.801 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.022 5.637 4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.412 6.584 2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.671 5.352 2.371 1.00 0.00 H new ATOM 948 N ASN A 68 -0.983 2.792 0.677 1.00 0.00 N ATOM 949 CA ASN A 68 -2.137 2.221 -0.008 1.00 0.00 C ATOM 950 C ASN A 68 -1.876 2.103 -1.506 1.00 0.00 C ATOM 951 O ASN A 68 -2.784 2.278 -2.320 1.00 0.00 O ATOM 952 CB ASN A 68 -3.379 3.078 0.240 1.00 0.00 C ATOM 953 CG ASN A 68 -3.416 3.652 1.643 1.00 0.00 C ATOM 954 OD1 ASN A 68 -3.823 4.911 1.757 1.00 0.00 O flip ATOM 955 ND2 ASN A 68 -3.081 2.972 2.613 1.00 0.00 N flip ATOM 0 H ASN A 68 -0.547 2.171 1.359 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.309 1.222 0.392 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.405 3.893 -0.484 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.272 2.475 0.074 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.775 2.008 2.479 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.110 3.372 3.551 1.00 0.00 H new ATOM 962 N ASP A 69 -0.632 1.806 -1.863 1.00 0.00 N ATOM 963 CA ASP A 69 -0.252 1.664 -3.264 1.00 0.00 C ATOM 964 C ASP A 69 0.541 0.379 -3.484 1.00 0.00 C ATOM 965 O ASP A 69 1.210 -0.114 -2.575 1.00 0.00 O ATOM 966 CB ASP A 69 0.572 2.870 -3.716 1.00 0.00 C ATOM 967 CG ASP A 69 -0.295 4.013 -4.207 1.00 0.00 C ATOM 968 OD1 ASP A 69 -1.302 4.324 -3.536 1.00 0.00 O ATOM 969 OD2 ASP A 69 0.034 4.596 -5.260 1.00 0.00 O ATOM 0 H ASP A 69 0.131 1.659 -1.202 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.164 1.614 -3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.189 3.216 -2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.251 2.565 -4.512 1.00 0.00 H new ATOM 974 N LYS A 70 0.461 -0.159 -4.696 1.00 0.00 N ATOM 975 CA LYS A 70 1.171 -1.387 -5.037 1.00 0.00 C ATOM 976 C LYS A 70 2.260 -1.116 -6.070 1.00 0.00 C ATOM 977 O LYS A 70 2.002 -0.516 -7.114 1.00 0.00 O ATOM 978 CB LYS A 70 0.192 -2.434 -5.573 1.00 0.00 C ATOM 979 CG LYS A 70 0.609 -3.864 -5.278 1.00 0.00 C ATOM 980 CD LYS A 70 -0.021 -4.842 -6.255 1.00 0.00 C ATOM 981 CE LYS A 70 0.863 -5.060 -7.473 1.00 0.00 C ATOM 982 NZ LYS A 70 2.004 -5.969 -7.175 1.00 0.00 N ATOM 0 H LYS A 70 -0.089 0.236 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 70 1.642 -1.770 -4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.792 -2.255 -5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.093 -2.308 -6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.695 -3.945 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.318 -4.126 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.196 -5.795 -5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.993 -4.465 -6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.267 -5.479 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.245 -4.100 -7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.791 -5.763 -7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.317 -5.823 -6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.703 -6.957 -7.299 1.00 0.00 H new ATOM 996 N ILE A 71 3.475 -1.565 -5.774 1.00 0.00 N ATOM 997 CA ILE A 71 4.601 -1.373 -6.679 1.00 0.00 C ATOM 998 C ILE A 71 4.827 -2.608 -7.545 1.00 0.00 C ATOM 999 O ILE A 71 4.920 -3.727 -7.039 1.00 0.00 O ATOM 1000 CB ILE A 71 5.896 -1.058 -5.907 1.00 0.00 C ATOM 1001 CG1 ILE A 71 5.809 0.330 -5.268 1.00 0.00 C ATOM 1002 CG2 ILE A 71 7.100 -1.146 -6.834 1.00 0.00 C ATOM 1003 CD1 ILE A 71 5.207 0.319 -3.881 1.00 0.00 C ATOM 0 H ILE A 71 3.705 -2.064 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 71 4.352 -0.525 -7.317 1.00 0.00 H new ATOM 0 HB ILE A 71 6.018 -1.796 -5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.809 0.762 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.213 0.980 -5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.008 -0.921 -6.274 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.169 -2.152 -7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.987 -0.428 -7.646 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.176 1.336 -3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.195 -0.083 -3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.815 -0.304 -3.225 1.00 0.00 H new ATOM 1015 N VAL A 72 4.916 -2.398 -8.854 1.00 0.00 N ATOM 1016 CA VAL A 72 5.134 -3.493 -9.792 1.00 0.00 C ATOM 1017 C VAL A 72 6.548 -3.456 -10.361 1.00 0.00 C ATOM 1018 O VAL A 72 7.066 -4.470 -10.829 1.00 0.00 O ATOM 1019 CB VAL A 72 4.124 -3.447 -10.953 1.00 0.00 C ATOM 1020 CG1 VAL A 72 2.756 -3.926 -10.491 1.00 0.00 C ATOM 1021 CG2 VAL A 72 4.039 -2.042 -11.530 1.00 0.00 C ATOM 0 H VAL A 72 4.840 -1.479 -9.290 1.00 0.00 H new ATOM 0 HA VAL A 72 4.994 -4.419 -9.235 1.00 0.00 H new ATOM 0 HB VAL A 72 4.471 -4.118 -11.739 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.056 -3.886 -11.325 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.832 -4.952 -10.130 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.398 -3.284 -9.686 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.320 -2.028 -12.350 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.717 -1.349 -10.753 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.019 -1.741 -11.901 1.00 0.00 H new ATOM 1031 N ALA A 73 7.167 -2.282 -10.316 1.00 0.00 N ATOM 1032 CA ALA A 73 8.523 -2.113 -10.825 1.00 0.00 C ATOM 1033 C ALA A 73 9.199 -0.901 -10.193 1.00 0.00 C ATOM 1034 O ALA A 73 8.550 0.105 -9.905 1.00 0.00 O ATOM 1035 CB ALA A 73 8.505 -1.980 -12.340 1.00 0.00 C ATOM 0 H ALA A 73 6.752 -1.433 -9.932 1.00 0.00 H new ATOM 0 HA ALA A 73 9.099 -2.999 -10.556 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.524 -1.854 -12.706 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.070 -2.878 -12.779 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.909 -1.112 -12.622 1.00 0.00 H new ATOM 1041 N VAL A 74 10.508 -1.003 -9.980 1.00 0.00 N ATOM 1042 CA VAL A 74 11.272 0.085 -9.383 1.00 0.00 C ATOM 1043 C VAL A 74 12.391 0.544 -10.311 1.00 0.00 C ATOM 1044 O VAL A 74 13.388 -0.155 -10.491 1.00 0.00 O ATOM 1045 CB VAL A 74 11.880 -0.332 -8.031 1.00 0.00 C ATOM 1046 CG1 VAL A 74 12.801 0.757 -7.501 1.00 0.00 C ATOM 1047 CG2 VAL A 74 10.781 -0.646 -7.027 1.00 0.00 C ATOM 0 H VAL A 74 11.060 -1.828 -10.212 1.00 0.00 H new ATOM 0 HA VAL A 74 10.577 0.909 -9.221 1.00 0.00 H new ATOM 0 HB VAL A 74 12.472 -1.235 -8.182 1.00 0.00 H new ATOM 0 HG11 VAL A 74 13.221 0.445 -6.545 1.00 0.00 H new ATOM 0 HG12 VAL A 74 13.608 0.930 -8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 74 12.234 1.678 -7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 74 11.229 -0.939 -6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.161 0.238 -6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.165 -1.462 -7.405 1.00 0.00 H new ATOM 1057 N ASP A 75 12.220 1.724 -10.897 1.00 0.00 N ATOM 1058 CA ASP A 75 13.217 2.278 -11.806 1.00 0.00 C ATOM 1059 C ASP A 75 13.368 1.402 -13.046 1.00 0.00 C ATOM 1060 O ASP A 75 14.448 1.318 -13.630 1.00 0.00 O ATOM 1061 CB ASP A 75 14.564 2.417 -11.096 1.00 0.00 C ATOM 1062 CG ASP A 75 15.618 3.061 -11.975 1.00 0.00 C ATOM 1063 OD1 ASP A 75 15.384 4.193 -12.448 1.00 0.00 O ATOM 1064 OD2 ASP A 75 16.676 2.434 -12.191 1.00 0.00 O ATOM 0 H ASP A 75 11.400 2.315 -10.759 1.00 0.00 H new ATOM 0 HA ASP A 75 12.878 3.265 -12.120 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.435 3.013 -10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.909 1.432 -10.782 1.00 0.00 H new ATOM 1069 N GLY A 76 12.279 0.751 -13.441 1.00 0.00 N ATOM 1070 CA GLY A 76 12.312 -0.111 -14.608 1.00 0.00 C ATOM 1071 C GLY A 76 12.515 -1.569 -14.246 1.00 0.00 C ATOM 1072 O GLY A 76 12.289 -2.458 -15.067 1.00 0.00 O ATOM 0 H GLY A 76 11.374 0.805 -12.974 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.379 -0.004 -15.162 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.115 0.211 -15.271 1.00 0.00 H new ATOM 1076 N VAL A 77 12.946 -1.817 -13.013 1.00 0.00 N ATOM 1077 CA VAL A 77 13.180 -3.178 -12.544 1.00 0.00 C ATOM 1078 C VAL A 77 11.883 -3.831 -12.081 1.00 0.00 C ATOM 1079 O VAL A 77 11.277 -3.404 -11.099 1.00 0.00 O ATOM 1080 CB VAL A 77 14.197 -3.205 -11.387 1.00 0.00 C ATOM 1081 CG1 VAL A 77 14.322 -4.611 -10.819 1.00 0.00 C ATOM 1082 CG2 VAL A 77 15.549 -2.687 -11.854 1.00 0.00 C ATOM 0 H VAL A 77 13.140 -1.093 -12.321 1.00 0.00 H new ATOM 0 HA VAL A 77 13.584 -3.738 -13.387 1.00 0.00 H new ATOM 0 HB VAL A 77 13.837 -2.549 -10.594 1.00 0.00 H new ATOM 0 HG11 VAL A 77 15.045 -4.611 -10.003 1.00 0.00 H new ATOM 0 HG12 VAL A 77 13.352 -4.940 -10.445 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.659 -5.291 -11.602 1.00 0.00 H new ATOM 0 HG21 VAL A 77 16.255 -2.713 -11.024 1.00 0.00 H new ATOM 0 HG22 VAL A 77 15.919 -3.315 -12.665 1.00 0.00 H new ATOM 0 HG23 VAL A 77 15.443 -1.662 -12.208 1.00 0.00 H new ATOM 1092 N ASN A 78 11.461 -4.869 -12.796 1.00 0.00 N ATOM 1093 CA ASN A 78 10.234 -5.582 -12.459 1.00 0.00 C ATOM 1094 C ASN A 78 10.394 -6.351 -11.152 1.00 0.00 C ATOM 1095 O ASN A 78 10.825 -7.505 -11.147 1.00 0.00 O ATOM 1096 CB ASN A 78 9.852 -6.543 -13.586 1.00 0.00 C ATOM 1097 CG ASN A 78 8.500 -7.192 -13.360 1.00 0.00 C ATOM 1098 OD1 ASN A 78 8.414 -8.379 -13.049 1.00 0.00 O ATOM 1099 ND2 ASN A 78 7.437 -6.412 -13.516 1.00 0.00 N ATOM 0 H ASN A 78 11.951 -5.235 -13.612 1.00 0.00 H new ATOM 0 HA ASN A 78 9.439 -4.847 -12.333 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.838 -6.002 -14.532 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.614 -7.318 -13.673 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.501 -6.792 -13.377 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.557 -5.433 -13.775 1.00 0.00 H new ATOM 1106 N ILE A 79 10.044 -5.705 -10.045 1.00 0.00 N ATOM 1107 CA ILE A 79 10.147 -6.329 -8.731 1.00 0.00 C ATOM 1108 C ILE A 79 8.906 -7.158 -8.418 1.00 0.00 C ATOM 1109 O ILE A 79 8.656 -7.505 -7.264 1.00 0.00 O ATOM 1110 CB ILE A 79 10.343 -5.278 -7.623 1.00 0.00 C ATOM 1111 CG1 ILE A 79 9.083 -4.422 -7.473 1.00 0.00 C ATOM 1112 CG2 ILE A 79 11.550 -4.404 -7.928 1.00 0.00 C ATOM 1113 CD1 ILE A 79 8.870 -3.901 -6.069 1.00 0.00 C ATOM 0 H ILE A 79 9.687 -4.750 -10.031 1.00 0.00 H new ATOM 0 HA ILE A 79 11.019 -6.982 -8.758 1.00 0.00 H new ATOM 0 HB ILE A 79 10.523 -5.795 -6.681 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.143 -3.578 -8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.215 -5.012 -7.768 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.675 -3.666 -7.135 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.443 -5.026 -7.989 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.398 -3.893 -8.879 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.959 -3.303 -6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.778 -4.740 -5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.720 -3.284 -5.777 1.00 0.00 H new ATOM 1125 N GLN A 80 8.134 -7.471 -9.453 1.00 0.00 N ATOM 1126 CA GLN A 80 6.919 -8.261 -9.287 1.00 0.00 C ATOM 1127 C GLN A 80 7.231 -9.616 -8.661 1.00 0.00 C ATOM 1128 O GLN A 80 7.614 -10.558 -9.354 1.00 0.00 O ATOM 1129 CB GLN A 80 6.225 -8.457 -10.636 1.00 0.00 C ATOM 1130 CG GLN A 80 5.468 -7.228 -11.115 1.00 0.00 C ATOM 1131 CD GLN A 80 4.487 -7.544 -12.227 1.00 0.00 C ATOM 1132 OE1 GLN A 80 4.875 -7.710 -13.384 1.00 0.00 O ATOM 1133 NE2 GLN A 80 3.208 -7.629 -11.882 1.00 0.00 N ATOM 0 H GLN A 80 8.327 -7.190 -10.414 1.00 0.00 H new ATOM 0 HA GLN A 80 6.252 -7.718 -8.618 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.971 -8.728 -11.383 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.531 -9.294 -10.560 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.930 -6.787 -10.276 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.180 -6.481 -11.465 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.931 -7.484 -10.911 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.502 -7.839 -12.588 1.00 0.00 H new ATOM 1142 N GLY A 81 7.066 -9.707 -7.345 1.00 0.00 N ATOM 1143 CA GLY A 81 7.336 -10.951 -6.648 1.00 0.00 C ATOM 1144 C GLY A 81 8.583 -10.876 -5.790 1.00 0.00 C ATOM 1145 O GLY A 81 8.798 -11.718 -4.918 1.00 0.00 O ATOM 0 H GLY A 81 6.750 -8.942 -6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.482 -11.205 -6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.447 -11.755 -7.376 1.00 0.00 H new ATOM 1149 N PHE A 82 9.411 -9.866 -6.038 1.00 0.00 N ATOM 1150 CA PHE A 82 10.646 -9.686 -5.284 1.00 0.00 C ATOM 1151 C PHE A 82 10.374 -9.709 -3.783 1.00 0.00 C ATOM 1152 O PHE A 82 9.489 -9.011 -3.290 1.00 0.00 O ATOM 1153 CB PHE A 82 11.317 -8.367 -5.672 1.00 0.00 C ATOM 1154 CG PHE A 82 12.275 -8.497 -6.821 1.00 0.00 C ATOM 1155 CD1 PHE A 82 11.918 -9.199 -7.962 1.00 0.00 C ATOM 1156 CD2 PHE A 82 13.533 -7.919 -6.761 1.00 0.00 C ATOM 1157 CE1 PHE A 82 12.797 -9.320 -9.021 1.00 0.00 C ATOM 1158 CE2 PHE A 82 14.416 -8.036 -7.818 1.00 0.00 C ATOM 1159 CZ PHE A 82 14.048 -8.739 -8.949 1.00 0.00 C ATOM 0 H PHE A 82 9.249 -9.160 -6.756 1.00 0.00 H new ATOM 0 HA PHE A 82 11.315 -10.511 -5.527 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.548 -7.640 -5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.851 -7.972 -4.807 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.942 -9.656 -8.024 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.827 -7.371 -5.878 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.506 -9.869 -9.905 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.393 -7.578 -7.760 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.737 -8.834 -9.775 1.00 0.00 H new ATOM 1169 N ALA A 83 11.143 -10.519 -3.061 1.00 0.00 N ATOM 1170 CA ALA A 83 10.987 -10.633 -1.617 1.00 0.00 C ATOM 1171 C ALA A 83 11.281 -9.306 -0.926 1.00 0.00 C ATOM 1172 O ALA A 83 11.970 -8.449 -1.477 1.00 0.00 O ATOM 1173 CB ALA A 83 11.895 -11.726 -1.073 1.00 0.00 C ATOM 0 H ALA A 83 11.880 -11.105 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 83 9.951 -10.899 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.768 -11.800 0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.635 -12.678 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.933 -11.483 -1.301 1.00 0.00 H new ATOM 1179 N ASN A 84 10.754 -9.144 0.283 1.00 0.00 N ATOM 1180 CA ASN A 84 10.960 -7.919 1.049 1.00 0.00 C ATOM 1181 C ASN A 84 12.389 -7.410 0.887 1.00 0.00 C ATOM 1182 O ASN A 84 12.610 -6.249 0.541 1.00 0.00 O ATOM 1183 CB ASN A 84 10.658 -8.162 2.529 1.00 0.00 C ATOM 1184 CG ASN A 84 10.967 -6.951 3.388 1.00 0.00 C ATOM 1185 OD1 ASN A 84 12.000 -6.897 4.055 1.00 0.00 O ATOM 1186 ND2 ASN A 84 10.070 -5.972 3.375 1.00 0.00 N ATOM 0 H ASN A 84 10.181 -9.845 0.754 1.00 0.00 H new ATOM 0 HA ASN A 84 10.277 -7.161 0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.607 -8.427 2.644 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.242 -9.013 2.881 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.224 -5.132 3.933 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.227 -6.060 2.807 1.00 0.00 H new ATOM 1193 N HIS A 85 13.356 -8.287 1.138 1.00 0.00 N ATOM 1194 CA HIS A 85 14.764 -7.927 1.019 1.00 0.00 C ATOM 1195 C HIS A 85 15.143 -7.690 -0.440 1.00 0.00 C ATOM 1196 O HIS A 85 15.763 -6.680 -0.773 1.00 0.00 O ATOM 1197 CB HIS A 85 15.645 -9.026 1.614 1.00 0.00 C ATOM 1198 CG HIS A 85 15.404 -10.377 1.015 1.00 0.00 C ATOM 1199 ND1 HIS A 85 14.431 -11.241 1.473 1.00 0.00 N ATOM 1200 CD2 HIS A 85 16.015 -11.012 -0.012 1.00 0.00 C ATOM 1201 CE1 HIS A 85 14.456 -12.349 0.754 1.00 0.00 C ATOM 1202 NE2 HIS A 85 15.408 -12.235 -0.155 1.00 0.00 N ATOM 0 H HIS A 85 13.190 -9.252 1.425 1.00 0.00 H new ATOM 0 HA HIS A 85 14.925 -7.002 1.573 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.692 -8.757 1.473 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.471 -9.078 2.689 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.829 -10.628 -0.609 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.808 -13.203 0.887 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.652 -12.941 -0.850 1.00 0.00 H new ATOM 1211 N ASP A 86 14.767 -8.626 -1.303 1.00 0.00 N ATOM 1212 CA ASP A 86 15.067 -8.518 -2.726 1.00 0.00 C ATOM 1213 C ASP A 86 14.747 -7.120 -3.245 1.00 0.00 C ATOM 1214 O ASP A 86 15.458 -6.584 -4.095 1.00 0.00 O ATOM 1215 CB ASP A 86 14.275 -9.562 -3.516 1.00 0.00 C ATOM 1216 CG ASP A 86 14.822 -10.964 -3.333 1.00 0.00 C ATOM 1217 OD1 ASP A 86 15.932 -11.238 -3.836 1.00 0.00 O ATOM 1218 OD2 ASP A 86 14.140 -11.788 -2.689 1.00 0.00 O ATOM 0 H ASP A 86 14.254 -9.468 -1.043 1.00 0.00 H new ATOM 0 HA ASP A 86 16.133 -8.701 -2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.232 -9.538 -3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.294 -9.303 -4.575 1.00 0.00 H new ATOM 1223 N VAL A 87 13.671 -6.534 -2.728 1.00 0.00 N ATOM 1224 CA VAL A 87 13.257 -5.198 -3.138 1.00 0.00 C ATOM 1225 C VAL A 87 14.144 -4.130 -2.509 1.00 0.00 C ATOM 1226 O VAL A 87 14.464 -3.122 -3.139 1.00 0.00 O ATOM 1227 CB VAL A 87 11.791 -4.922 -2.755 1.00 0.00 C ATOM 1228 CG1 VAL A 87 11.392 -3.508 -3.149 1.00 0.00 C ATOM 1229 CG2 VAL A 87 10.870 -5.945 -3.404 1.00 0.00 C ATOM 0 H VAL A 87 13.071 -6.964 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 87 13.356 -5.156 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 87 11.693 -5.013 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.353 -3.332 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.032 -2.792 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.504 -3.385 -4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.838 -5.735 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.970 -5.888 -4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.142 -6.945 -3.067 1.00 0.00 H new ATOM 1239 N VAL A 88 14.541 -4.357 -1.261 1.00 0.00 N ATOM 1240 CA VAL A 88 15.393 -3.415 -0.545 1.00 0.00 C ATOM 1241 C VAL A 88 16.671 -3.128 -1.326 1.00 0.00 C ATOM 1242 O VAL A 88 16.973 -1.977 -1.638 1.00 0.00 O ATOM 1243 CB VAL A 88 15.767 -3.946 0.852 1.00 0.00 C ATOM 1244 CG1 VAL A 88 16.735 -2.997 1.542 1.00 0.00 C ATOM 1245 CG2 VAL A 88 14.517 -4.151 1.695 1.00 0.00 C ATOM 0 H VAL A 88 14.286 -5.186 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 88 14.823 -2.493 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 88 16.262 -4.910 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.988 -3.388 2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.642 -2.905 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 88 16.270 -2.017 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.799 -4.526 2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.993 -3.202 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.862 -4.872 1.206 1.00 0.00 H new ATOM 1255 N GLU A 89 17.417 -4.183 -1.638 1.00 0.00 N ATOM 1256 CA GLU A 89 18.663 -4.043 -2.383 1.00 0.00 C ATOM 1257 C GLU A 89 18.440 -3.259 -3.673 1.00 0.00 C ATOM 1258 O GLU A 89 19.289 -2.469 -4.087 1.00 0.00 O ATOM 1259 CB GLU A 89 19.248 -5.420 -2.704 1.00 0.00 C ATOM 1260 CG GLU A 89 18.491 -6.165 -3.791 1.00 0.00 C ATOM 1261 CD GLU A 89 19.259 -7.360 -4.323 1.00 0.00 C ATOM 1262 OE1 GLU A 89 20.373 -7.163 -4.850 1.00 0.00 O ATOM 1263 OE2 GLU A 89 18.745 -8.492 -4.210 1.00 0.00 O ATOM 0 H GLU A 89 17.181 -5.143 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 89 19.369 -3.492 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 89 20.287 -5.301 -3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 89 19.252 -6.024 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.532 -6.501 -3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.276 -5.481 -4.612 1.00 0.00 H new ATOM 1270 N VAL A 90 17.293 -3.484 -4.305 1.00 0.00 N ATOM 1271 CA VAL A 90 16.957 -2.799 -5.548 1.00 0.00 C ATOM 1272 C VAL A 90 16.977 -1.286 -5.364 1.00 0.00 C ATOM 1273 O VAL A 90 17.552 -0.559 -6.175 1.00 0.00 O ATOM 1274 CB VAL A 90 15.571 -3.225 -6.066 1.00 0.00 C ATOM 1275 CG1 VAL A 90 15.219 -2.465 -7.337 1.00 0.00 C ATOM 1276 CG2 VAL A 90 15.529 -4.726 -6.304 1.00 0.00 C ATOM 0 H VAL A 90 16.580 -4.136 -3.977 1.00 0.00 H new ATOM 0 HA VAL A 90 17.713 -3.082 -6.281 1.00 0.00 H new ATOM 0 HB VAL A 90 14.828 -2.980 -5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.236 -2.779 -7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.205 -1.395 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.963 -2.676 -8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.542 -5.009 -6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 90 16.282 -4.998 -7.044 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.733 -5.248 -5.369 1.00 0.00 H new ATOM 1286 N LEU A 91 16.346 -0.818 -4.293 1.00 0.00 N ATOM 1287 CA LEU A 91 16.291 0.611 -4.002 1.00 0.00 C ATOM 1288 C LEU A 91 17.693 1.183 -3.816 1.00 0.00 C ATOM 1289 O LEU A 91 18.022 2.235 -4.365 1.00 0.00 O ATOM 1290 CB LEU A 91 15.454 0.863 -2.746 1.00 0.00 C ATOM 1291 CG LEU A 91 14.050 0.258 -2.742 1.00 0.00 C ATOM 1292 CD1 LEU A 91 13.498 0.200 -1.327 1.00 0.00 C ATOM 1293 CD2 LEU A 91 13.123 1.056 -3.646 1.00 0.00 C ATOM 0 H LEU A 91 15.866 -1.406 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 91 15.824 1.112 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.999 0.472 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.364 1.940 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 91 14.113 -0.760 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.498 -0.233 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 91 14.150 -0.416 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.450 1.207 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 91 12.128 0.611 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 91 13.066 2.085 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.510 1.045 -4.665 1.00 0.00 H new ATOM 1305 N ARG A 92 18.514 0.482 -3.041 1.00 0.00 N ATOM 1306 CA ARG A 92 19.881 0.920 -2.784 1.00 0.00 C ATOM 1307 C ARG A 92 20.672 1.024 -4.085 1.00 0.00 C ATOM 1308 O ARG A 92 21.453 1.956 -4.275 1.00 0.00 O ATOM 1309 CB ARG A 92 20.578 -0.049 -1.827 1.00 0.00 C ATOM 1310 CG ARG A 92 19.915 -0.138 -0.462 1.00 0.00 C ATOM 1311 CD ARG A 92 20.309 -1.414 0.266 1.00 0.00 C ATOM 1312 NE ARG A 92 21.745 -1.475 0.526 1.00 0.00 N ATOM 1313 CZ ARG A 92 22.401 -2.605 0.769 1.00 0.00 C ATOM 1314 NH1 ARG A 92 21.752 -3.761 0.784 1.00 0.00 N ATOM 1315 NH2 ARG A 92 23.708 -2.579 0.996 1.00 0.00 N ATOM 0 H ARG A 92 18.257 -0.391 -2.580 1.00 0.00 H new ATOM 0 HA ARG A 92 19.839 1.907 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.597 -1.041 -2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 92 21.615 0.263 -1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 92 20.198 0.727 0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.832 -0.104 -0.579 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.767 -1.475 1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 92 20.011 -2.277 -0.329 1.00 0.00 H new ATOM 0 HE ARG A 92 22.273 -0.602 0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.747 -3.784 0.609 1.00 0.00 H new ATOM 0 HH12 ARG A 92 22.257 -4.627 0.971 1.00 0.00 H new ATOM 0 HH21 ARG A 92 24.210 -1.691 0.984 1.00 0.00 H new ATOM 0 HH22 ARG A 92 24.211 -3.447 1.182 1.00 0.00 H new ATOM 1329 N ASN A 93 20.464 0.061 -4.977 1.00 0.00 N ATOM 1330 CA ASN A 93 21.158 0.044 -6.259 1.00 0.00 C ATOM 1331 C ASN A 93 20.777 1.259 -7.100 1.00 0.00 C ATOM 1332 O ASN A 93 21.619 1.841 -7.784 1.00 0.00 O ATOM 1333 CB ASN A 93 20.832 -1.241 -7.022 1.00 0.00 C ATOM 1334 CG ASN A 93 21.703 -2.406 -6.592 1.00 0.00 C ATOM 1335 OD1 ASN A 93 22.922 -2.380 -6.764 1.00 0.00 O ATOM 1336 ND2 ASN A 93 21.080 -3.435 -6.030 1.00 0.00 N ATOM 0 H ASN A 93 19.820 -0.718 -4.835 1.00 0.00 H new ATOM 0 HA ASN A 93 22.230 0.081 -6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 93 19.784 -1.497 -6.866 1.00 0.00 H new ATOM 0 HB3 ASN A 93 20.962 -1.069 -8.090 1.00 0.00 H new ATOM 0 HD21 ASN A 93 21.614 -4.247 -5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 93 20.068 -3.413 -5.907 1.00 0.00 H new ATOM 1343 N ALA A 94 19.504 1.635 -7.044 1.00 0.00 N ATOM 1344 CA ALA A 94 19.012 2.781 -7.798 1.00 0.00 C ATOM 1345 C ALA A 94 19.806 4.039 -7.465 1.00 0.00 C ATOM 1346 O ALA A 94 20.483 4.104 -6.440 1.00 0.00 O ATOM 1347 CB ALA A 94 17.532 2.999 -7.521 1.00 0.00 C ATOM 0 H ALA A 94 18.794 1.162 -6.484 1.00 0.00 H new ATOM 0 HA ALA A 94 19.144 2.570 -8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.178 3.858 -8.091 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.972 2.112 -7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.384 3.183 -6.457 1.00 0.00 H new ATOM 1353 N GLY A 95 19.719 5.038 -8.339 1.00 0.00 N ATOM 1354 CA GLY A 95 20.435 6.280 -8.119 1.00 0.00 C ATOM 1355 C GLY A 95 19.504 7.456 -7.903 1.00 0.00 C ATOM 1356 O GLY A 95 18.404 7.296 -7.374 1.00 0.00 O ATOM 0 H GLY A 95 19.165 5.008 -9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 95 21.086 6.172 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 95 21.078 6.482 -8.976 1.00 0.00 H new ATOM 1360 N GLN A 96 19.945 8.642 -8.313 1.00 0.00 N ATOM 1361 CA GLN A 96 19.143 9.849 -8.159 1.00 0.00 C ATOM 1362 C GLN A 96 17.799 9.704 -8.866 1.00 0.00 C ATOM 1363 O GLN A 96 16.743 9.822 -8.245 1.00 0.00 O ATOM 1364 CB GLN A 96 19.895 11.061 -8.712 1.00 0.00 C ATOM 1365 CG GLN A 96 19.468 12.379 -8.088 1.00 0.00 C ATOM 1366 CD GLN A 96 20.575 13.415 -8.096 1.00 0.00 C ATOM 1367 OE1 GLN A 96 21.246 13.615 -9.110 1.00 0.00 O ATOM 1368 NE2 GLN A 96 20.772 14.081 -6.965 1.00 0.00 N ATOM 0 H GLN A 96 20.853 8.792 -8.754 1.00 0.00 H new ATOM 0 HA GLN A 96 18.959 9.999 -7.095 1.00 0.00 H new ATOM 0 HB2 GLN A 96 20.963 10.921 -8.549 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.742 11.112 -9.790 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.606 12.770 -8.629 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.148 12.203 -7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 96 20.193 13.883 -6.149 1.00 0.00 H new ATOM 0 HE22 GLN A 96 21.503 14.791 -6.912 1.00 0.00 H new ATOM 1377 N VAL A 97 17.847 9.448 -10.170 1.00 0.00 N ATOM 1378 CA VAL A 97 16.633 9.287 -10.962 1.00 0.00 C ATOM 1379 C VAL A 97 15.984 7.931 -10.703 1.00 0.00 C ATOM 1380 O VAL A 97 16.368 6.924 -11.297 1.00 0.00 O ATOM 1381 CB VAL A 97 16.924 9.425 -12.468 1.00 0.00 C ATOM 1382 CG1 VAL A 97 15.656 9.203 -13.279 1.00 0.00 C ATOM 1383 CG2 VAL A 97 17.529 10.787 -12.771 1.00 0.00 C ATOM 0 H VAL A 97 18.713 9.348 -10.700 1.00 0.00 H new ATOM 0 HA VAL A 97 15.948 10.079 -10.657 1.00 0.00 H new ATOM 0 HB VAL A 97 17.647 8.661 -12.752 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.881 9.304 -14.341 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.270 8.203 -13.084 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.908 9.943 -12.994 1.00 0.00 H new ATOM 0 HG21 VAL A 97 17.728 10.867 -13.840 1.00 0.00 H new ATOM 0 HG22 VAL A 97 16.832 11.570 -12.472 1.00 0.00 H new ATOM 0 HG23 VAL A 97 18.462 10.902 -12.219 1.00 0.00 H new ATOM 1393 N VAL A 98 14.999 7.914 -9.811 1.00 0.00 N ATOM 1394 CA VAL A 98 14.294 6.683 -9.474 1.00 0.00 C ATOM 1395 C VAL A 98 12.862 6.709 -9.995 1.00 0.00 C ATOM 1396 O VAL A 98 12.004 7.402 -9.449 1.00 0.00 O ATOM 1397 CB VAL A 98 14.271 6.449 -7.951 1.00 0.00 C ATOM 1398 CG1 VAL A 98 13.555 5.148 -7.622 1.00 0.00 C ATOM 1399 CG2 VAL A 98 15.686 6.444 -7.392 1.00 0.00 C ATOM 0 H VAL A 98 14.671 8.739 -9.309 1.00 0.00 H new ATOM 0 HA VAL A 98 14.836 5.867 -9.952 1.00 0.00 H new ATOM 0 HB VAL A 98 13.722 7.266 -7.483 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.548 4.999 -6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.529 5.194 -7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.073 4.317 -8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 98 15.651 6.278 -6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 98 16.261 5.647 -7.864 1.00 0.00 H new ATOM 0 HG23 VAL A 98 16.161 7.404 -7.596 1.00 0.00 H new ATOM 1409 N HIS A 99 12.610 5.947 -11.055 1.00 0.00 N ATOM 1410 CA HIS A 99 11.280 5.882 -11.650 1.00 0.00 C ATOM 1411 C HIS A 99 10.453 4.771 -11.010 1.00 0.00 C ATOM 1412 O HIS A 99 10.499 3.619 -11.444 1.00 0.00 O ATOM 1413 CB HIS A 99 11.384 5.652 -13.158 1.00 0.00 C ATOM 1414 CG HIS A 99 11.690 6.896 -13.934 1.00 0.00 C ATOM 1415 ND1 HIS A 99 12.848 7.062 -14.663 1.00 0.00 N ATOM 1416 CD2 HIS A 99 10.980 8.037 -14.094 1.00 0.00 C ATOM 1417 CE1 HIS A 99 12.838 8.252 -15.236 1.00 0.00 C ATOM 1418 NE2 HIS A 99 11.715 8.864 -14.907 1.00 0.00 N ATOM 0 H HIS A 99 13.309 5.367 -11.519 1.00 0.00 H new ATOM 0 HA HIS A 99 10.780 6.834 -11.469 1.00 0.00 H new ATOM 0 HB2 HIS A 99 12.161 4.913 -13.352 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.446 5.230 -13.518 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.015 8.256 -13.662 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.616 8.656 -15.867 1.00 0.00 H new ATOM 0 HE2 HIS A 99 11.439 9.799 -15.208 1.00 0.00 H new ATOM 1427 N LEU A 100 9.697 5.124 -9.976 1.00 0.00 N ATOM 1428 CA LEU A 100 8.859 4.157 -9.275 1.00 0.00 C ATOM 1429 C LEU A 100 7.612 3.826 -10.089 1.00 0.00 C ATOM 1430 O LEU A 100 6.878 4.720 -10.512 1.00 0.00 O ATOM 1431 CB LEU A 100 8.457 4.701 -7.903 1.00 0.00 C ATOM 1432 CG LEU A 100 8.338 3.669 -6.781 1.00 0.00 C ATOM 1433 CD1 LEU A 100 7.287 2.624 -7.126 1.00 0.00 C ATOM 1434 CD2 LEU A 100 9.683 3.008 -6.518 1.00 0.00 C ATOM 0 H LEU A 100 9.647 6.073 -9.604 1.00 0.00 H new ATOM 0 HA LEU A 100 9.436 3.242 -9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.188 5.451 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.499 5.212 -8.003 1.00 0.00 H new ATOM 0 HG LEU A 100 8.025 4.184 -5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.216 1.898 -6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.321 3.111 -7.263 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.570 2.114 -8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.578 2.277 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.026 2.507 -7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.410 3.766 -6.225 1.00 0.00 H new ATOM 1446 N THR A 101 7.377 2.535 -10.304 1.00 0.00 N ATOM 1447 CA THR A 101 6.219 2.086 -11.065 1.00 0.00 C ATOM 1448 C THR A 101 5.105 1.607 -10.141 1.00 0.00 C ATOM 1449 O THR A 101 5.239 0.582 -9.471 1.00 0.00 O ATOM 1450 CB THR A 101 6.591 0.948 -12.035 1.00 0.00 C ATOM 1451 OG1 THR A 101 7.796 1.276 -12.736 1.00 0.00 O ATOM 1452 CG2 THR A 101 5.470 0.699 -13.033 1.00 0.00 C ATOM 0 H THR A 101 7.974 1.782 -9.961 1.00 0.00 H new ATOM 0 HA THR A 101 5.867 2.943 -11.639 1.00 0.00 H new ATOM 0 HB THR A 101 6.746 0.040 -11.452 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.570 1.063 -12.174 1.00 0.00 H new ATOM 0 HG21 THR A 101 5.756 -0.108 -13.707 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.562 0.421 -12.498 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.288 1.606 -13.610 1.00 0.00 H new ATOM 1460 N LEU A 102 4.007 2.353 -10.110 1.00 0.00 N ATOM 1461 CA LEU A 102 2.868 2.003 -9.267 1.00 0.00 C ATOM 1462 C LEU A 102 1.619 1.770 -10.110 1.00 0.00 C ATOM 1463 O LEU A 102 1.497 2.292 -11.218 1.00 0.00 O ATOM 1464 CB LEU A 102 2.607 3.110 -8.244 1.00 0.00 C ATOM 1465 CG LEU A 102 3.823 3.591 -7.451 1.00 0.00 C ATOM 1466 CD1 LEU A 102 4.621 4.602 -8.259 1.00 0.00 C ATOM 1467 CD2 LEU A 102 3.389 4.191 -6.121 1.00 0.00 C ATOM 0 H LEU A 102 3.880 3.204 -10.658 1.00 0.00 H new ATOM 0 HA LEU A 102 3.107 1.079 -8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.177 3.965 -8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.855 2.756 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 102 4.463 2.733 -7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.482 4.933 -7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.963 4.139 -9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.990 5.460 -8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.267 4.528 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.727 5.038 -6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.861 3.437 -5.537 1.00 0.00 H new ATOM 1479 N VAL A 103 0.690 0.982 -9.576 1.00 0.00 N ATOM 1480 CA VAL A 103 -0.552 0.681 -10.278 1.00 0.00 C ATOM 1481 C VAL A 103 -1.755 0.827 -9.352 1.00 0.00 C ATOM 1482 O VAL A 103 -1.976 -0.003 -8.470 1.00 0.00 O ATOM 1483 CB VAL A 103 -0.537 -0.744 -10.861 1.00 0.00 C ATOM 1484 CG1 VAL A 103 -0.039 -1.740 -9.825 1.00 0.00 C ATOM 1485 CG2 VAL A 103 -1.921 -1.129 -11.362 1.00 0.00 C ATOM 0 H VAL A 103 0.774 0.541 -8.660 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.636 1.398 -11.095 1.00 0.00 H new ATOM 0 HB VAL A 103 0.149 -0.764 -11.708 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.035 -2.741 -10.255 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.973 -1.473 -9.520 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.697 -1.721 -8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.892 -2.139 -11.771 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.630 -1.092 -10.535 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.233 -0.432 -12.139 1.00 0.00 H new ATOM 1495 N ARG A 104 -2.529 1.887 -9.559 1.00 0.00 N ATOM 1496 CA ARG A 104 -3.710 2.142 -8.743 1.00 0.00 C ATOM 1497 C ARG A 104 -4.987 1.872 -9.534 1.00 0.00 C ATOM 1498 O ARG A 104 -4.995 1.946 -10.763 1.00 0.00 O ATOM 1499 CB ARG A 104 -3.705 3.586 -8.238 1.00 0.00 C ATOM 1500 CG ARG A 104 -2.630 3.865 -7.201 1.00 0.00 C ATOM 1501 CD ARG A 104 -2.289 5.345 -7.136 1.00 0.00 C ATOM 1502 NE ARG A 104 -3.120 6.057 -6.170 1.00 0.00 N ATOM 1503 CZ ARG A 104 -2.790 7.229 -5.639 1.00 0.00 C ATOM 1504 NH1 ARG A 104 -1.652 7.818 -5.979 1.00 0.00 N ATOM 1505 NH2 ARG A 104 -3.600 7.815 -4.766 1.00 0.00 N ATOM 0 H ARG A 104 -2.360 2.583 -10.285 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.683 1.466 -7.889 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -3.564 4.258 -9.085 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.680 3.815 -7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -2.970 3.526 -6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.733 3.294 -7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -1.239 5.463 -6.868 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -2.418 5.790 -8.123 1.00 0.00 H new ATOM 0 HE ARG A 104 -4.003 5.631 -5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.027 7.371 -6.650 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.401 8.718 -5.570 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -4.477 7.365 -4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -3.346 8.715 -4.359 1.00 0.00 H new ATOM 1519 N ARG A 105 -6.064 1.559 -8.821 1.00 0.00 N ATOM 1520 CA ARG A 105 -7.345 1.277 -9.456 1.00 0.00 C ATOM 1521 C ARG A 105 -7.918 2.533 -10.106 1.00 0.00 C ATOM 1522 O ARG A 105 -7.953 3.601 -9.495 1.00 0.00 O ATOM 1523 CB ARG A 105 -8.336 0.724 -8.430 1.00 0.00 C ATOM 1524 CG ARG A 105 -9.505 -0.022 -9.053 1.00 0.00 C ATOM 1525 CD ARG A 105 -10.047 -1.090 -8.117 1.00 0.00 C ATOM 1526 NE ARG A 105 -10.635 -0.513 -6.910 1.00 0.00 N ATOM 1527 CZ ARG A 105 -10.891 -1.213 -5.811 1.00 0.00 C ATOM 1528 NH1 ARG A 105 -10.612 -2.509 -5.766 1.00 0.00 N ATOM 1529 NH2 ARG A 105 -11.426 -0.618 -4.753 1.00 0.00 N ATOM 0 H ARG A 105 -6.075 1.494 -7.803 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.180 0.530 -10.232 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.808 0.053 -7.752 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -8.721 1.548 -7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.298 0.684 -9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -9.187 -0.483 -9.988 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.799 -1.682 -8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -9.242 -1.770 -7.839 1.00 0.00 H new ATOM 0 HE ARG A 105 -10.861 0.482 -6.912 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.200 -2.970 -6.577 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.810 -3.044 -4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -11.641 0.379 -4.783 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -11.622 -1.157 -3.910 1.00 0.00 H new ATOM 1543 N LYS A 106 -8.365 2.398 -11.350 1.00 0.00 N ATOM 1544 CA LYS A 106 -8.937 3.520 -12.084 1.00 0.00 C ATOM 1545 C LYS A 106 -10.317 3.878 -11.543 1.00 0.00 C ATOM 1546 O LYS A 106 -10.615 5.047 -11.297 1.00 0.00 O ATOM 1547 CB LYS A 106 -9.033 3.185 -13.575 1.00 0.00 C ATOM 1548 CG LYS A 106 -7.709 2.769 -14.191 1.00 0.00 C ATOM 1549 CD LYS A 106 -7.913 1.848 -15.383 1.00 0.00 C ATOM 1550 CE LYS A 106 -6.828 2.043 -16.430 1.00 0.00 C ATOM 1551 NZ LYS A 106 -7.062 3.263 -17.251 1.00 0.00 N ATOM 0 H LYS A 106 -8.342 1.522 -11.871 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.281 4.380 -11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.757 2.381 -13.712 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.416 4.054 -14.110 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.158 3.656 -14.505 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.100 2.265 -13.441 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -7.914 0.811 -15.047 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.889 2.039 -15.829 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.858 2.117 -15.938 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.790 1.169 -17.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.301 3.360 -17.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.976 3.182 -17.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.073 4.100 -16.634 1.00 0.00 H new