USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 636 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 16 ASN : amide:sc= 1.59 K(o=2.5,f=-1.8) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -160:sc= 0.94 (180deg=0) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 173:sc= 1.16 (180deg=0) USER MOD Set 2.2: A 54 THR OG1 : rot 71:sc= 0.97 USER MOD Set 3.1: A 41 LYS NZ :NH3+ -154:sc= 0.34 (180deg=-0.0216) USER MOD Set 3.2: A 45 SER OG : rot 70:sc= 1.32 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0213 USER MOD Single : A 20 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.44) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 178:sc= -1.14 (180deg=-1.17) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0.188 (180deg=0.123) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= 0.777 K(o=0.78,f=-2.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -46:sc= 0.00571 USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= -0.0676 (180deg=-0.0782) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.23 K(o=1.2,f=-0.029) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.598 K(o=0.6,f=-0.38) USER MOD Single : A 66 LYS NZ :NH3+ -129:sc= 0.137 (180deg=-0.145) USER MOD Single : A 68 MET CE :methyl -166:sc= -0.117 (180deg=-0.381) USER MOD Single : A 69 ASN : amide:sc= -0.921 K(o=-0.92,f=-0.02) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= 0.66 (180deg=0.571) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 1.01 K(o=1,f=-4!) USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.019) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 9 11.045 6.494 6.758 1.00 0.00 N ATOM 112 CA LYS A 9 10.908 7.858 6.211 1.00 0.00 C ATOM 113 C LYS A 9 9.682 7.935 5.301 1.00 0.00 C ATOM 114 O LYS A 9 9.446 7.037 4.495 1.00 0.00 O ATOM 115 CB LYS A 9 12.178 8.261 5.438 1.00 0.00 C ATOM 116 CG LYS A 9 13.409 8.384 6.348 1.00 0.00 C ATOM 117 CD LYS A 9 14.686 8.758 5.576 1.00 0.00 C ATOM 118 CE LYS A 9 14.779 10.262 5.279 1.00 0.00 C ATOM 119 NZ LYS A 9 15.258 11.029 6.459 1.00 0.00 N ATOM 0 HA LYS A 9 10.777 8.555 7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.377 7.522 4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.006 9.213 4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.217 9.138 7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.567 7.439 6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.558 8.451 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.714 8.204 4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.455 10.426 4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.800 10.634 4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.421 12.019 6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.542 10.990 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.147 10.615 6.805 1.00 0.00 H new ATOM 133 N LEU A 10 8.899 8.998 5.456 1.00 0.00 N ATOM 134 CA LEU A 10 7.583 9.105 4.823 1.00 0.00 C ATOM 135 C LEU A 10 7.470 10.329 3.934 1.00 0.00 C ATOM 136 O LEU A 10 7.949 11.382 4.322 1.00 0.00 O ATOM 137 CB LEU A 10 6.488 9.205 5.891 1.00 0.00 C ATOM 138 CG LEU A 10 5.756 7.902 6.092 1.00 0.00 C ATOM 139 CD1 LEU A 10 6.563 6.838 6.778 1.00 0.00 C ATOM 140 CD2 LEU A 10 4.415 8.119 6.795 1.00 0.00 C ATOM 0 H LEU A 10 9.155 9.808 6.021 1.00 0.00 H new ATOM 0 HA LEU A 10 7.460 8.209 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.934 9.517 6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.775 9.978 5.604 1.00 0.00 H new ATOM 0 HG LEU A 10 5.569 7.521 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.961 5.935 6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.451 6.616 6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.864 7.189 7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.913 7.160 6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.585 8.574 7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.790 8.777 6.191 1.00 0.00 H new ATOM 152 N PHE A 11 6.777 10.199 2.810 1.00 0.00 N ATOM 153 CA PHE A 11 6.490 11.253 1.847 1.00 0.00 C ATOM 154 C PHE A 11 5.023 11.673 2.033 1.00 0.00 C ATOM 155 O PHE A 11 4.110 10.849 1.889 1.00 0.00 O ATOM 156 CB PHE A 11 6.693 10.674 0.432 1.00 0.00 C ATOM 157 CG PHE A 11 6.232 11.495 -0.772 1.00 0.00 C ATOM 158 CD1 PHE A 11 6.132 12.905 -0.752 1.00 0.00 C ATOM 159 CD2 PHE A 11 5.913 10.809 -1.962 1.00 0.00 C ATOM 160 CE1 PHE A 11 5.719 13.604 -1.899 1.00 0.00 C ATOM 161 CE2 PHE A 11 5.521 11.512 -3.115 1.00 0.00 C ATOM 162 CZ PHE A 11 5.435 12.913 -3.087 1.00 0.00 C ATOM 0 H PHE A 11 6.377 9.303 2.531 1.00 0.00 H new ATOM 0 HA PHE A 11 7.143 12.115 1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.757 10.473 0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.181 9.713 0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.374 13.448 0.150 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.970 9.731 -1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.620 14.679 -1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.286 10.974 -4.022 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.151 13.457 -3.976 1.00 0.00 H new ATOM 172 N ILE A 12 4.829 12.960 2.362 1.00 0.00 N ATOM 173 CA ILE A 12 3.506 13.549 2.340 1.00 0.00 C ATOM 174 C ILE A 12 3.532 14.418 1.113 1.00 0.00 C ATOM 175 O ILE A 12 4.439 15.238 0.894 1.00 0.00 O ATOM 176 CB ILE A 12 3.184 14.347 3.622 1.00 0.00 C ATOM 177 CG1 ILE A 12 2.289 13.515 4.551 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.409 15.663 3.420 1.00 0.00 C ATOM 179 CD1 ILE A 12 2.770 12.096 4.838 1.00 0.00 C ATOM 0 H ILE A 12 5.574 13.598 2.643 1.00 0.00 H new ATOM 0 HA ILE A 12 2.717 12.797 2.308 1.00 0.00 H new ATOM 0 HB ILE A 12 4.171 14.577 4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.190 14.044 5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.293 13.459 4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.239 16.137 4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.988 16.332 2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.450 15.452 2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.064 11.600 5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.840 11.540 3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.751 12.133 5.312 1.00 0.00 H new ATOM 191 N GLY A 13 2.504 14.187 0.318 1.00 0.00 N ATOM 192 CA GLY A 13 2.270 14.907 -0.889 1.00 0.00 C ATOM 193 C GLY A 13 1.101 15.831 -0.693 1.00 0.00 C ATOM 194 O GLY A 13 -0.019 15.427 -0.377 1.00 0.00 O ATOM 0 H GLY A 13 1.801 13.474 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.157 15.477 -1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.069 14.215 -1.707 1.00 0.00 H new ATOM 198 N GLY A 14 1.458 17.086 -0.901 1.00 0.00 N ATOM 199 CA GLY A 14 0.516 18.180 -0.865 1.00 0.00 C ATOM 200 C GLY A 14 1.273 19.422 -0.678 1.00 0.00 C ATOM 201 O GLY A 14 1.959 19.817 -1.615 1.00 0.00 O ATOM 0 H GLY A 14 2.417 17.372 -1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.058 18.219 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.198 18.042 -0.053 1.00 0.00 H new ATOM 205 N LEU A 15 1.179 19.920 0.540 1.00 0.00 N ATOM 206 CA LEU A 15 1.894 21.127 0.964 1.00 0.00 C ATOM 207 C LEU A 15 1.522 22.410 0.275 1.00 0.00 C ATOM 208 O LEU A 15 1.325 23.419 0.938 1.00 0.00 O ATOM 209 CB LEU A 15 3.394 20.906 0.759 1.00 0.00 C ATOM 210 CG LEU A 15 4.048 19.736 1.486 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.610 19.694 2.924 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.661 18.401 0.881 1.00 0.00 C ATOM 0 H LEU A 15 0.604 19.503 1.272 1.00 0.00 H new ATOM 0 HA LEU A 15 1.604 21.262 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.570 20.777 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.911 21.818 1.060 1.00 0.00 H new ATOM 0 HG LEU A 15 5.123 19.892 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.088 18.852 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.897 20.622 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.527 19.578 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.150 17.597 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.580 18.275 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.974 18.370 -0.163 1.00 0.00 H new ATOM 224 N ASN A 16 1.256 22.302 -1.009 1.00 0.00 N ATOM 225 CA ASN A 16 0.613 23.202 -1.904 1.00 0.00 C ATOM 226 C ASN A 16 1.076 24.669 -1.818 1.00 0.00 C ATOM 227 O ASN A 16 0.333 25.589 -2.160 1.00 0.00 O ATOM 228 CB ASN A 16 -0.855 22.889 -1.640 1.00 0.00 C ATOM 229 CG ASN A 16 -1.802 23.517 -2.648 1.00 0.00 C ATOM 230 OD1 ASN A 16 -1.585 23.438 -3.852 1.00 0.00 O ATOM 231 ND2 ASN A 16 -2.900 24.080 -2.218 1.00 0.00 N ATOM 0 H ASN A 16 1.532 21.454 -1.505 1.00 0.00 H new ATOM 0 HA ASN A 16 0.871 23.062 -2.954 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.994 21.808 -1.648 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.118 23.237 -0.641 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.576 24.454 -2.884 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.081 24.146 -1.216 1.00 0.00 H new ATOM 238 N ARG A 17 2.316 24.868 -1.338 1.00 0.00 N ATOM 239 CA ARG A 17 2.896 26.156 -0.920 1.00 0.00 C ATOM 240 C ARG A 17 1.930 26.935 -0.005 1.00 0.00 C ATOM 241 O ARG A 17 1.812 28.158 -0.068 1.00 0.00 O ATOM 242 CB ARG A 17 3.402 26.939 -2.144 1.00 0.00 C ATOM 243 CG ARG A 17 4.420 26.171 -3.016 1.00 0.00 C ATOM 244 CD ARG A 17 3.872 25.108 -3.994 1.00 0.00 C ATOM 245 NE ARG A 17 2.764 25.630 -4.822 1.00 0.00 N ATOM 246 CZ ARG A 17 1.712 24.978 -5.284 1.00 0.00 C ATOM 247 NH1 ARG A 17 1.545 23.694 -5.151 1.00 0.00 N ATOM 248 NH2 ARG A 17 0.772 25.624 -5.910 1.00 0.00 N ATOM 0 H ARG A 17 2.973 24.096 -1.226 1.00 0.00 H new ATOM 0 HA ARG A 17 3.776 25.978 -0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.548 27.215 -2.762 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.861 27.867 -1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.983 26.902 -3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.129 25.679 -2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.677 24.764 -4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.525 24.242 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 17 2.819 26.618 -5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.249 23.136 -4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.710 23.246 -5.530 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.848 26.632 -6.043 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.041 25.122 -6.267 1.00 0.00 H new ATOM 262 N GLU A 18 1.223 26.183 0.840 1.00 0.00 N ATOM 263 CA GLU A 18 0.077 26.569 1.644 1.00 0.00 C ATOM 264 C GLU A 18 0.263 26.137 3.109 1.00 0.00 C ATOM 265 O GLU A 18 0.166 26.990 3.995 1.00 0.00 O ATOM 266 CB GLU A 18 -1.103 25.843 0.985 1.00 0.00 C ATOM 267 CG GLU A 18 -2.431 25.955 1.713 1.00 0.00 C ATOM 268 CD GLU A 18 -3.524 25.343 0.820 1.00 0.00 C ATOM 269 OE1 GLU A 18 -3.433 24.125 0.521 1.00 0.00 O ATOM 270 OE2 GLU A 18 -4.412 26.089 0.343 1.00 0.00 O ATOM 0 H GLU A 18 1.464 25.203 0.987 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.072 27.648 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.229 26.233 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.849 24.787 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.385 25.433 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.658 26.999 1.930 1.00 0.00 H new ATOM 277 N THR A 19 0.587 24.856 3.372 1.00 0.00 N ATOM 278 CA THR A 19 0.798 24.365 4.762 1.00 0.00 C ATOM 279 C THR A 19 2.256 24.036 5.141 1.00 0.00 C ATOM 280 O THR A 19 3.152 24.199 4.310 1.00 0.00 O ATOM 281 CB THR A 19 -0.227 23.301 5.127 1.00 0.00 C ATOM 282 OG1 THR A 19 -0.370 23.232 6.524 1.00 0.00 O ATOM 283 CG2 THR A 19 0.099 21.911 4.613 1.00 0.00 C ATOM 0 H THR A 19 0.709 24.143 2.653 1.00 0.00 H new ATOM 0 HA THR A 19 0.608 25.216 5.416 1.00 0.00 H new ATOM 0 HB THR A 19 -1.151 23.613 4.640 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.032 22.547 6.752 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.684 21.217 4.919 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.161 21.931 3.525 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.054 21.585 5.025 1.00 0.00 H new ATOM 291 N ASN A 20 2.522 23.613 6.396 1.00 0.00 N ATOM 292 CA ASN A 20 3.893 23.644 6.964 1.00 0.00 C ATOM 293 C ASN A 20 4.301 22.530 7.953 1.00 0.00 C ATOM 294 O ASN A 20 3.530 21.619 8.231 1.00 0.00 O ATOM 295 CB ASN A 20 4.065 25.040 7.626 1.00 0.00 C ATOM 296 CG ASN A 20 3.993 26.205 6.650 1.00 0.00 C ATOM 297 OD1 ASN A 20 4.920 26.475 5.900 1.00 0.00 O ATOM 298 ND2 ASN A 20 2.905 26.946 6.640 1.00 0.00 N ATOM 0 H ASN A 20 1.814 23.248 7.033 1.00 0.00 H new ATOM 0 HA ASN A 20 4.565 23.453 6.127 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.293 25.168 8.385 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.025 25.070 8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.837 27.743 6.007 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.130 26.723 7.265 1.00 0.00 H new ATOM 305 N GLU A 21 5.521 22.658 8.514 1.00 0.00 N ATOM 306 CA GLU A 21 6.003 21.787 9.622 1.00 0.00 C ATOM 307 C GLU A 21 4.963 21.470 10.719 1.00 0.00 C ATOM 308 O GLU A 21 4.924 20.357 11.262 1.00 0.00 O ATOM 309 CB GLU A 21 7.237 22.486 10.234 1.00 0.00 C ATOM 310 CG GLU A 21 7.695 21.971 11.608 1.00 0.00 C ATOM 311 CD GLU A 21 8.942 22.733 12.099 1.00 0.00 C ATOM 312 OE1 GLU A 21 10.080 22.342 11.743 1.00 0.00 O ATOM 313 OE2 GLU A 21 8.792 23.727 12.850 1.00 0.00 O ATOM 0 H GLU A 21 6.200 23.360 8.219 1.00 0.00 H new ATOM 0 HA GLU A 21 6.235 20.811 9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.068 22.387 9.536 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.020 23.550 10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.887 22.086 12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.917 20.906 11.545 1.00 0.00 H new ATOM 320 N LYS A 22 4.097 22.459 10.984 1.00 0.00 N ATOM 321 CA LYS A 22 2.934 22.267 11.853 1.00 0.00 C ATOM 322 C LYS A 22 2.073 21.107 11.386 1.00 0.00 C ATOM 323 O LYS A 22 1.871 20.153 12.140 1.00 0.00 O ATOM 324 CB LYS A 22 2.151 23.566 11.893 1.00 0.00 C ATOM 325 CG LYS A 22 0.969 23.428 12.853 1.00 0.00 C ATOM 326 CD LYS A 22 0.739 24.738 13.573 1.00 0.00 C ATOM 327 CE LYS A 22 1.607 24.642 14.811 1.00 0.00 C ATOM 328 NZ LYS A 22 2.204 25.945 15.202 1.00 0.00 N ATOM 0 H LYS A 22 4.184 23.402 10.606 1.00 0.00 H new ATOM 0 HA LYS A 22 3.266 22.010 12.859 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.799 24.382 12.214 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.793 23.817 10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.073 23.143 12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.165 22.635 13.575 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.023 25.588 12.953 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.311 24.870 13.833 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.010 24.259 15.638 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.405 23.921 14.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.787 25.818 16.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.798 26.301 14.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.446 26.629 15.400 1.00 0.00 H new ATOM 342 N MET A 23 1.568 21.198 10.152 1.00 0.00 N ATOM 343 CA MET A 23 0.874 20.075 9.579 1.00 0.00 C ATOM 344 C MET A 23 1.704 18.803 9.561 1.00 0.00 C ATOM 345 O MET A 23 1.161 17.732 9.727 1.00 0.00 O ATOM 346 CB MET A 23 0.330 20.483 8.259 1.00 0.00 C ATOM 347 CG MET A 23 0.994 19.870 7.072 1.00 0.00 C ATOM 348 SD MET A 23 1.204 18.119 6.659 1.00 0.00 S ATOM 349 CE MET A 23 0.598 18.431 5.006 1.00 0.00 C ATOM 0 H MET A 23 1.631 22.022 9.555 1.00 0.00 H new ATOM 0 HA MET A 23 0.034 19.799 10.216 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.730 20.232 8.230 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.404 21.567 8.175 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.480 20.299 6.212 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.004 20.279 7.076 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.628 17.508 4.427 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.429 18.794 5.057 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.224 19.182 4.524 1.00 0.00 H new ATOM 359 N LEU A 24 3.002 18.875 9.285 1.00 0.00 N ATOM 360 CA LEU A 24 3.838 17.678 9.236 1.00 0.00 C ATOM 361 C LEU A 24 3.742 16.883 10.546 1.00 0.00 C ATOM 362 O LEU A 24 3.194 15.776 10.562 1.00 0.00 O ATOM 363 CB LEU A 24 5.268 18.024 8.828 1.00 0.00 C ATOM 364 CG LEU A 24 5.469 18.023 7.310 1.00 0.00 C ATOM 365 CD1 LEU A 24 5.048 19.334 6.684 1.00 0.00 C ATOM 366 CD2 LEU A 24 6.935 17.750 7.026 1.00 0.00 C ATOM 0 H LEU A 24 3.498 19.745 9.092 1.00 0.00 H new ATOM 0 HA LEU A 24 3.459 17.015 8.458 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.526 19.006 9.223 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.954 17.308 9.281 1.00 0.00 H new ATOM 0 HG LEU A 24 4.842 17.248 6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.207 19.290 5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.992 19.512 6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.641 20.146 7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.102 17.745 5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.545 18.528 7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.212 16.781 7.441 1.00 0.00 H new ATOM 378 N LYS A 25 4.160 17.464 11.676 1.00 0.00 N ATOM 379 CA LYS A 25 3.984 16.823 12.984 1.00 0.00 C ATOM 380 C LYS A 25 2.538 16.451 13.271 1.00 0.00 C ATOM 381 O LYS A 25 2.316 15.395 13.850 1.00 0.00 O ATOM 382 CB LYS A 25 4.523 17.719 14.092 1.00 0.00 C ATOM 383 CG LYS A 25 6.060 17.854 14.001 1.00 0.00 C ATOM 384 CD LYS A 25 6.807 17.271 15.208 1.00 0.00 C ATOM 385 CE LYS A 25 6.876 15.731 15.213 1.00 0.00 C ATOM 386 NZ LYS A 25 7.378 15.197 16.512 1.00 0.00 N ATOM 0 H LYS A 25 4.621 18.373 11.712 1.00 0.00 H new ATOM 0 HA LYS A 25 4.553 15.893 12.955 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.064 18.705 14.022 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.248 17.307 15.063 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.406 17.355 13.096 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.317 18.909 13.901 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.821 17.671 15.224 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.318 17.606 16.123 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.885 15.323 15.012 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.528 15.395 14.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.204 14.173 16.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.399 15.378 16.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.882 15.667 17.296 1.00 0.00 H new ATOM 400 N ALA A 26 1.580 17.265 12.835 1.00 0.00 N ATOM 401 CA ALA A 26 0.172 16.908 12.903 1.00 0.00 C ATOM 402 C ALA A 26 -0.134 15.552 12.203 1.00 0.00 C ATOM 403 O ALA A 26 -0.293 14.492 12.822 1.00 0.00 O ATOM 404 CB ALA A 26 -0.630 18.101 12.318 1.00 0.00 C ATOM 0 H ALA A 26 1.759 18.183 12.428 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.130 16.739 13.937 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.696 17.874 12.350 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.432 18.996 12.907 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.327 18.272 11.285 1.00 0.00 H new ATOM 410 N VAL A 27 -0.121 15.630 10.872 1.00 0.00 N ATOM 411 CA VAL A 27 -0.556 14.541 9.994 1.00 0.00 C ATOM 412 C VAL A 27 0.165 13.252 10.285 1.00 0.00 C ATOM 413 O VAL A 27 -0.446 12.210 10.469 1.00 0.00 O ATOM 414 CB VAL A 27 -0.244 14.965 8.538 1.00 0.00 C ATOM 415 CG1 VAL A 27 -0.256 13.880 7.466 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.192 16.047 8.112 1.00 0.00 C ATOM 0 H VAL A 27 0.195 16.458 10.367 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.620 14.366 10.155 1.00 0.00 H new ATOM 0 HB VAL A 27 0.795 15.291 8.595 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.021 14.322 6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.488 13.121 7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.243 13.420 7.425 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.969 16.343 7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.216 15.677 8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.081 16.908 8.771 1.00 0.00 H new ATOM 426 N PHE A 28 1.481 13.313 10.247 1.00 0.00 N ATOM 427 CA PHE A 28 2.323 12.199 10.600 1.00 0.00 C ATOM 428 C PHE A 28 2.244 11.760 12.061 1.00 0.00 C ATOM 429 O PHE A 28 2.067 10.577 12.357 1.00 0.00 O ATOM 430 CB PHE A 28 3.731 12.562 10.151 1.00 0.00 C ATOM 431 CG PHE A 28 4.019 12.809 8.669 1.00 0.00 C ATOM 432 CD1 PHE A 28 3.706 14.042 8.060 1.00 0.00 C ATOM 433 CD2 PHE A 28 4.838 11.912 7.966 1.00 0.00 C ATOM 434 CE1 PHE A 28 4.326 14.438 6.868 1.00 0.00 C ATOM 435 CE2 PHE A 28 5.476 12.322 6.781 1.00 0.00 C ATOM 436 CZ PHE A 28 5.270 13.604 6.261 1.00 0.00 C ATOM 0 H PHE A 28 1.996 14.148 9.967 1.00 0.00 H new ATOM 0 HA PHE A 28 1.967 11.306 10.087 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.023 13.462 10.693 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.394 11.762 10.482 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.976 14.692 8.520 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.979 10.907 8.335 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.075 15.387 6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.134 11.638 6.266 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.832 13.945 5.404 1.00 0.00 H new ATOM 446 N GLY A 29 2.426 12.703 12.988 1.00 0.00 N ATOM 447 CA GLY A 29 2.280 12.392 14.408 1.00 0.00 C ATOM 448 C GLY A 29 0.953 11.790 14.818 1.00 0.00 C ATOM 449 O GLY A 29 0.857 11.275 15.935 1.00 0.00 O ATOM 0 H GLY A 29 2.671 13.672 12.784 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.074 11.702 14.693 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.434 13.308 14.979 1.00 0.00 H new ATOM 453 N LYS A 30 -0.065 11.870 13.945 1.00 0.00 N ATOM 454 CA LYS A 30 -1.351 11.191 14.182 1.00 0.00 C ATOM 455 C LYS A 30 -1.204 9.780 14.755 1.00 0.00 C ATOM 456 O LYS A 30 -1.933 9.395 15.673 1.00 0.00 O ATOM 457 CB LYS A 30 -2.139 11.116 12.885 1.00 0.00 C ATOM 458 CG LYS A 30 -2.855 12.451 12.640 1.00 0.00 C ATOM 459 CD LYS A 30 -4.245 12.453 13.284 1.00 0.00 C ATOM 460 CE LYS A 30 -5.132 11.335 12.731 1.00 0.00 C ATOM 461 NZ LYS A 30 -6.580 11.664 12.776 1.00 0.00 N ATOM 0 H LYS A 30 -0.023 12.396 13.072 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.876 11.787 14.928 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.470 10.893 12.054 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.866 10.306 12.936 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.260 13.268 13.048 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.946 12.628 11.568 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.145 12.337 14.363 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.724 13.416 13.110 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.845 11.127 11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.955 10.423 13.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.129 10.870 12.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.867 11.835 13.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.760 12.518 12.210 1.00 0.00 H new ATOM 475 N HIS A 31 -0.231 9.054 14.205 1.00 0.00 N ATOM 476 CA HIS A 31 0.048 7.673 14.620 1.00 0.00 C ATOM 477 C HIS A 31 1.541 7.307 14.846 1.00 0.00 C ATOM 478 O HIS A 31 1.862 6.114 14.870 1.00 0.00 O ATOM 479 CB HIS A 31 -0.701 6.724 13.650 1.00 0.00 C ATOM 480 CG HIS A 31 -1.973 6.134 14.210 1.00 0.00 C ATOM 481 ND1 HIS A 31 -2.838 6.734 15.097 1.00 0.00 N ATOM 482 CD2 HIS A 31 -2.516 4.919 13.886 1.00 0.00 C ATOM 483 CE1 HIS A 31 -3.870 5.903 15.312 1.00 0.00 C ATOM 484 NE2 HIS A 31 -3.715 4.772 14.599 1.00 0.00 N ATOM 0 H HIS A 31 0.382 9.399 13.467 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.334 7.550 15.633 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.940 7.271 12.738 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.032 5.911 13.368 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.715 7.654 15.519 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.094 4.199 13.200 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -4.705 6.112 15.964 1.00 0.00 H new ATOM 492 N GLY A 32 2.470 8.254 15.083 1.00 0.00 N ATOM 493 CA GLY A 32 3.824 7.912 15.508 1.00 0.00 C ATOM 494 C GLY A 32 4.575 9.046 16.228 1.00 0.00 C ATOM 495 O GLY A 32 4.027 10.132 16.430 1.00 0.00 O ATOM 0 H GLY A 32 2.300 9.255 14.985 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.775 7.048 16.171 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.400 7.611 14.633 1.00 0.00 H new ATOM 499 N PRO A 33 5.834 8.790 16.627 1.00 0.00 N ATOM 500 CA PRO A 33 6.697 9.713 17.358 1.00 0.00 C ATOM 501 C PRO A 33 7.245 10.882 16.515 1.00 0.00 C ATOM 502 O PRO A 33 6.905 12.038 16.781 1.00 0.00 O ATOM 503 CB PRO A 33 7.834 8.829 17.905 1.00 0.00 C ATOM 504 CG PRO A 33 7.895 7.636 16.942 1.00 0.00 C ATOM 505 CD PRO A 33 6.436 7.479 16.531 1.00 0.00 C ATOM 0 HA PRO A 33 6.130 10.219 18.140 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.780 9.369 17.927 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.628 8.505 18.925 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.540 7.836 16.086 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.280 6.740 17.428 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.360 7.092 15.515 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.925 6.770 17.182 1.00 0.00 H new ATOM 513 N ILE A 34 8.150 10.576 15.566 1.00 0.00 N ATOM 514 CA ILE A 34 8.707 11.580 14.638 1.00 0.00 C ATOM 515 C ILE A 34 9.978 12.230 15.209 1.00 0.00 C ATOM 516 O ILE A 34 9.888 13.045 16.132 1.00 0.00 O ATOM 517 CB ILE A 34 7.724 12.533 13.926 1.00 0.00 C ATOM 518 CG1 ILE A 34 6.725 11.838 12.997 1.00 0.00 C ATOM 519 CG2 ILE A 34 8.578 13.514 13.101 1.00 0.00 C ATOM 520 CD1 ILE A 34 5.546 11.267 13.770 1.00 0.00 C ATOM 0 H ILE A 34 8.514 9.634 15.421 1.00 0.00 H new ATOM 0 HA ILE A 34 9.010 10.998 13.768 1.00 0.00 H new ATOM 0 HB ILE A 34 7.119 13.021 14.690 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.364 12.548 12.253 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.228 11.037 12.455 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.926 14.212 12.576 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.241 14.067 13.766 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.173 12.958 12.376 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.858 10.781 13.078 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.906 10.538 14.496 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.028 12.072 14.291 1.00 0.00 H new ATOM 532 N SER A 35 11.150 11.853 14.699 1.00 0.00 N ATOM 533 CA SER A 35 12.453 12.364 15.119 1.00 0.00 C ATOM 534 C SER A 35 13.082 13.313 14.100 1.00 0.00 C ATOM 535 O SER A 35 14.012 14.030 14.474 1.00 0.00 O ATOM 536 CB SER A 35 13.398 11.198 15.392 1.00 0.00 C ATOM 537 OG SER A 35 13.418 10.274 14.312 1.00 0.00 O ATOM 0 H SER A 35 11.220 11.158 13.955 1.00 0.00 H new ATOM 0 HA SER A 35 12.289 12.942 16.028 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.405 11.578 15.564 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.090 10.686 16.304 1.00 0.00 H new ATOM 0 HG SER A 35 14.035 9.541 14.520 1.00 0.00 H new ATOM 543 N GLU A 36 12.574 13.395 12.858 1.00 0.00 N ATOM 544 CA GLU A 36 13.047 14.419 11.900 1.00 0.00 C ATOM 545 C GLU A 36 11.955 14.917 10.947 1.00 0.00 C ATOM 546 O GLU A 36 11.069 14.150 10.568 1.00 0.00 O ATOM 547 CB GLU A 36 14.236 13.932 11.048 1.00 0.00 C ATOM 548 CG GLU A 36 15.526 13.598 11.808 1.00 0.00 C ATOM 549 CD GLU A 36 16.694 13.336 10.836 1.00 0.00 C ATOM 550 OE1 GLU A 36 16.892 12.173 10.407 1.00 0.00 O ATOM 551 OE2 GLU A 36 17.435 14.293 10.502 1.00 0.00 O ATOM 0 H GLU A 36 11.848 12.777 12.495 1.00 0.00 H new ATOM 0 HA GLU A 36 13.363 15.245 12.538 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.923 13.044 10.499 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.464 14.700 10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.782 14.421 12.475 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.366 12.720 12.433 1.00 0.00 H new ATOM 558 N VAL A 37 12.057 16.183 10.518 1.00 0.00 N ATOM 559 CA VAL A 37 11.039 16.910 9.733 1.00 0.00 C ATOM 560 C VAL A 37 11.689 17.673 8.562 1.00 0.00 C ATOM 561 O VAL A 37 12.650 18.421 8.748 1.00 0.00 O ATOM 562 CB VAL A 37 10.246 17.883 10.639 1.00 0.00 C ATOM 563 CG1 VAL A 37 9.045 18.460 9.886 1.00 0.00 C ATOM 564 CG2 VAL A 37 9.696 17.227 11.917 1.00 0.00 C ATOM 0 H VAL A 37 12.880 16.753 10.713 1.00 0.00 H new ATOM 0 HA VAL A 37 10.345 16.178 9.319 1.00 0.00 H new ATOM 0 HB VAL A 37 10.963 18.655 10.919 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.500 19.142 10.539 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.393 19.001 9.006 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.386 17.649 9.576 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.152 17.969 12.502 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.023 16.413 11.647 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.523 16.833 12.509 1.00 0.00 H new ATOM 574 N LEU A 38 11.170 17.457 7.350 1.00 0.00 N ATOM 575 CA LEU A 38 11.691 17.900 6.046 1.00 0.00 C ATOM 576 C LEU A 38 10.560 18.470 5.165 1.00 0.00 C ATOM 577 O LEU A 38 9.489 17.880 5.045 1.00 0.00 O ATOM 578 CB LEU A 38 12.381 16.736 5.378 1.00 0.00 C ATOM 579 CG LEU A 38 13.434 17.079 4.296 1.00 0.00 C ATOM 580 CD1 LEU A 38 13.523 15.848 3.501 1.00 0.00 C ATOM 581 CD2 LEU A 38 13.172 18.132 3.251 1.00 0.00 C ATOM 0 H LEU A 38 10.306 16.926 7.243 1.00 0.00 H new ATOM 0 HA LEU A 38 12.412 18.704 6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.868 16.141 6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.618 16.104 4.922 1.00 0.00 H new ATOM 0 HG LEU A 38 14.279 17.464 4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.249 15.984 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.839 15.024 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.547 15.621 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.037 18.214 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.296 17.854 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.994 19.091 3.737 1.00 0.00 H new ATOM 593 N LEU A 39 10.832 19.600 4.525 1.00 0.00 N ATOM 594 CA LEU A 39 9.999 20.270 3.517 1.00 0.00 C ATOM 595 C LEU A 39 10.937 20.517 2.328 1.00 0.00 C ATOM 596 O LEU A 39 12.016 21.091 2.507 1.00 0.00 O ATOM 597 CB LEU A 39 9.452 21.633 4.011 1.00 0.00 C ATOM 598 CG LEU A 39 8.216 21.709 4.924 1.00 0.00 C ATOM 599 CD1 LEU A 39 6.983 21.077 4.282 1.00 0.00 C ATOM 600 CD2 LEU A 39 8.447 21.118 6.313 1.00 0.00 C ATOM 0 H LEU A 39 11.696 20.112 4.703 1.00 0.00 H new ATOM 0 HA LEU A 39 9.132 19.656 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.267 22.132 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.231 22.228 3.125 1.00 0.00 H new ATOM 0 HG LEU A 39 8.031 22.775 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.137 21.155 4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.749 21.597 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.182 20.027 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.534 21.206 6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.720 20.067 6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.252 21.659 6.809 1.00 0.00 H new ATOM 612 N ILE A 40 10.538 20.119 1.123 1.00 0.00 N ATOM 613 CA ILE A 40 11.461 20.050 -0.001 1.00 0.00 C ATOM 614 C ILE A 40 11.173 21.238 -0.914 1.00 0.00 C ATOM 615 O ILE A 40 9.992 21.434 -1.253 1.00 0.00 O ATOM 616 CB ILE A 40 11.241 18.757 -0.790 1.00 0.00 C ATOM 617 CG1 ILE A 40 11.285 17.495 0.104 1.00 0.00 C ATOM 618 CG2 ILE A 40 12.228 18.820 -1.982 1.00 0.00 C ATOM 619 CD1 ILE A 40 12.675 16.917 0.179 1.00 0.00 C ATOM 0 H ILE A 40 9.582 19.840 0.902 1.00 0.00 H new ATOM 0 HA ILE A 40 12.488 20.070 0.363 1.00 0.00 H new ATOM 0 HB ILE A 40 10.232 18.670 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.940 17.747 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.599 16.745 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.122 17.921 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.008 19.697 -2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.249 18.886 -1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.667 16.032 0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.009 16.642 -0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.355 17.659 0.597 1.00 0.00 H new ATOM 631 N LYS A 41 12.298 21.906 -1.259 1.00 0.00 N ATOM 632 CA LYS A 41 12.312 23.104 -2.123 1.00 0.00 C ATOM 633 C LYS A 41 13.363 22.892 -3.256 1.00 0.00 C ATOM 634 O LYS A 41 13.540 21.778 -3.744 1.00 0.00 O ATOM 635 CB LYS A 41 12.681 24.324 -1.242 1.00 0.00 C ATOM 636 CG LYS A 41 11.763 24.621 -0.040 1.00 0.00 C ATOM 637 CD LYS A 41 12.605 24.992 1.193 1.00 0.00 C ATOM 638 CE LYS A 41 11.768 25.510 2.366 1.00 0.00 C ATOM 639 NZ LYS A 41 11.217 26.867 2.086 1.00 0.00 N ATOM 0 H LYS A 41 13.226 21.625 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 41 11.339 23.276 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.694 24.177 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.702 25.208 -1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.084 25.438 -0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.147 23.749 0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.168 24.116 1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.333 25.753 0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.950 24.818 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.382 25.544 3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.051 27.366 2.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.896 27.406 1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.320 26.777 1.568 1.00 0.00 H new ATOM 653 N ASP A 42 14.077 23.945 -3.662 1.00 0.00 N ATOM 654 CA ASP A 42 14.975 24.075 -4.834 1.00 0.00 C ATOM 655 C ASP A 42 15.862 25.311 -4.572 1.00 0.00 C ATOM 656 O ASP A 42 15.349 26.219 -3.947 1.00 0.00 O ATOM 657 CB ASP A 42 14.168 24.233 -6.140 1.00 0.00 C ATOM 658 CG ASP A 42 12.826 25.020 -6.130 1.00 0.00 C ATOM 659 OD1 ASP A 42 12.140 25.141 -5.088 1.00 0.00 O ATOM 660 OD2 ASP A 42 12.465 25.563 -7.199 1.00 0.00 O ATOM 0 H ASP A 42 14.044 24.817 -3.134 1.00 0.00 H new ATOM 0 HA ASP A 42 15.584 23.180 -4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.821 24.713 -6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.955 23.231 -6.513 1.00 0.00 H new ATOM 665 N ARG A 43 17.150 25.413 -4.949 1.00 0.00 N ATOM 666 CA ARG A 43 18.166 26.457 -4.551 1.00 0.00 C ATOM 667 C ARG A 43 18.358 26.681 -3.042 1.00 0.00 C ATOM 668 O ARG A 43 19.382 27.262 -2.708 1.00 0.00 O ATOM 669 CB ARG A 43 17.771 27.836 -5.183 1.00 0.00 C ATOM 670 CG ARG A 43 18.572 29.147 -4.909 1.00 0.00 C ATOM 671 CD ARG A 43 17.808 30.470 -5.195 1.00 0.00 C ATOM 672 NE ARG A 43 16.756 30.775 -4.203 1.00 0.00 N ATOM 673 CZ ARG A 43 16.914 31.457 -3.079 1.00 0.00 C ATOM 674 NH1 ARG A 43 18.074 31.722 -2.557 1.00 0.00 N ATOM 675 NH2 ARG A 43 15.897 31.919 -2.421 1.00 0.00 N ATOM 0 H ARG A 43 17.557 24.728 -5.586 1.00 0.00 H new ATOM 0 HA ARG A 43 19.111 26.062 -4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 43 17.767 27.694 -6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 43 16.741 28.032 -4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 43 18.887 29.148 -3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 43 19.478 29.132 -5.516 1.00 0.00 H new ATOM 0 HD2 ARG A 43 18.522 31.293 -5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 43 17.355 30.411 -6.185 1.00 0.00 H new ATOM 0 HE ARG A 43 15.818 30.427 -4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 43 18.926 31.400 -3.016 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.133 32.252 -1.688 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.951 31.760 -2.767 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.043 32.442 -1.557 1.00 0.00 H new ATOM 689 N THR A 44 17.545 26.029 -2.193 1.00 0.00 N ATOM 690 CA THR A 44 17.380 26.448 -0.766 1.00 0.00 C ATOM 691 C THR A 44 16.210 27.458 -0.634 1.00 0.00 C ATOM 692 O THR A 44 15.873 27.824 0.489 1.00 0.00 O ATOM 693 CB THR A 44 18.643 26.989 -0.053 1.00 0.00 C ATOM 694 OG1 THR A 44 18.583 26.692 1.329 1.00 0.00 O ATOM 695 CG2 THR A 44 18.829 28.508 -0.220 1.00 0.00 C ATOM 0 H THR A 44 16.990 25.214 -2.455 1.00 0.00 H new ATOM 0 HA THR A 44 17.158 25.519 -0.240 1.00 0.00 H new ATOM 0 HB THR A 44 19.494 26.496 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.695 26.922 1.675 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.732 28.824 0.303 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.920 28.749 -1.279 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.967 29.028 0.198 1.00 0.00 H new ATOM 703 N SER A 45 15.587 27.769 -1.800 1.00 0.00 N ATOM 704 CA SER A 45 14.279 28.471 -1.887 1.00 0.00 C ATOM 705 C SER A 45 13.961 29.198 -3.233 1.00 0.00 C ATOM 706 O SER A 45 13.459 30.324 -3.235 1.00 0.00 O ATOM 707 CB SER A 45 13.804 29.257 -0.667 1.00 0.00 C ATOM 708 OG SER A 45 13.311 28.412 0.365 1.00 0.00 O ATOM 0 H SER A 45 15.981 27.538 -2.712 1.00 0.00 H new ATOM 0 HA SER A 45 13.643 27.586 -1.880 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.629 29.855 -0.280 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.021 29.952 -0.969 1.00 0.00 H new ATOM 0 HG SER A 45 14.055 27.912 0.761 1.00 0.00 H new ATOM 714 N LYS A 46 14.318 28.621 -4.402 1.00 0.00 N ATOM 715 CA LYS A 46 13.637 28.952 -5.697 1.00 0.00 C ATOM 716 C LYS A 46 12.092 28.833 -5.409 1.00 0.00 C ATOM 717 O LYS A 46 11.324 29.700 -5.826 1.00 0.00 O ATOM 718 CB LYS A 46 14.146 28.041 -6.836 1.00 0.00 C ATOM 719 CG LYS A 46 15.372 28.530 -7.648 1.00 0.00 C ATOM 720 CD LYS A 46 16.034 27.342 -8.389 1.00 0.00 C ATOM 721 CE LYS A 46 17.207 27.600 -9.375 1.00 0.00 C ATOM 722 NZ LYS A 46 18.567 27.669 -8.774 1.00 0.00 N ATOM 0 H LYS A 46 15.064 27.930 -4.487 1.00 0.00 H new ATOM 0 HA LYS A 46 13.861 29.959 -6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.393 27.070 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.323 27.881 -7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.062 29.288 -8.367 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.095 29.000 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.394 26.647 -7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.250 26.829 -8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.204 26.810 -10.126 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.015 28.537 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.272 27.810 -9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.611 28.464 -8.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.770 26.781 -8.272 1.00 0.00 H new ATOM 736 N SER A 47 11.730 27.820 -4.579 1.00 0.00 N ATOM 737 CA SER A 47 10.469 27.808 -3.803 1.00 0.00 C ATOM 738 C SER A 47 9.225 27.030 -4.263 1.00 0.00 C ATOM 739 O SER A 47 8.341 27.555 -4.948 1.00 0.00 O ATOM 740 CB SER A 47 10.065 29.188 -3.253 1.00 0.00 C ATOM 741 OG SER A 47 9.293 29.017 -2.074 1.00 0.00 O ATOM 0 H SER A 47 12.306 26.991 -4.432 1.00 0.00 H new ATOM 0 HA SER A 47 10.837 27.141 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.954 29.780 -3.036 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.491 29.736 -4.000 1.00 0.00 H new ATOM 0 HG SER A 47 9.036 29.894 -1.721 1.00 0.00 H new ATOM 747 N ARG A 48 9.151 25.762 -3.809 1.00 0.00 N ATOM 748 CA ARG A 48 7.977 24.893 -3.752 1.00 0.00 C ATOM 749 C ARG A 48 8.111 23.983 -2.521 1.00 0.00 C ATOM 750 O ARG A 48 9.042 24.152 -1.734 1.00 0.00 O ATOM 751 CB ARG A 48 7.596 24.301 -5.100 1.00 0.00 C ATOM 752 CG ARG A 48 8.604 23.497 -5.861 1.00 0.00 C ATOM 753 CD ARG A 48 8.806 22.094 -5.304 1.00 0.00 C ATOM 754 NE ARG A 48 8.132 20.964 -6.004 1.00 0.00 N ATOM 755 CZ ARG A 48 7.935 20.710 -7.291 1.00 0.00 C ATOM 756 NH1 ARG A 48 8.300 21.481 -8.273 1.00 0.00 N ATOM 757 NH2 ARG A 48 7.337 19.616 -7.645 1.00 0.00 N ATOM 0 H ARG A 48 9.980 25.291 -3.447 1.00 0.00 H new ATOM 0 HA ARG A 48 7.057 25.449 -3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.723 23.668 -4.944 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.282 25.124 -5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 48 8.289 23.424 -6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 48 9.558 24.024 -5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.877 21.890 -5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.470 22.094 -4.267 1.00 0.00 H new ATOM 0 HE ARG A 48 7.752 20.255 -5.377 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.779 22.361 -8.080 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.107 21.206 -9.236 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.020 18.955 -6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.183 19.416 -8.633 1.00 0.00 H new ATOM 771 N GLY A 49 7.109 23.151 -2.282 1.00 0.00 N ATOM 772 CA GLY A 49 6.918 22.378 -1.042 1.00 0.00 C ATOM 773 C GLY A 49 6.521 20.907 -1.200 1.00 0.00 C ATOM 774 O GLY A 49 5.462 20.633 -1.750 1.00 0.00 O ATOM 0 H GLY A 49 6.372 22.982 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.844 22.420 -0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.152 22.875 -0.447 1.00 0.00 H new ATOM 778 N PHE A 50 7.368 19.965 -0.775 1.00 0.00 N ATOM 779 CA PHE A 50 6.941 18.537 -0.573 1.00 0.00 C ATOM 780 C PHE A 50 7.502 17.900 0.704 1.00 0.00 C ATOM 781 O PHE A 50 8.588 18.272 1.101 1.00 0.00 O ATOM 782 CB PHE A 50 6.911 17.704 -1.829 1.00 0.00 C ATOM 783 CG PHE A 50 8.191 17.319 -2.462 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.843 18.236 -3.297 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.647 16.009 -2.308 1.00 0.00 C ATOM 786 CE1 PHE A 50 10.022 17.861 -3.948 1.00 0.00 C ATOM 787 CE2 PHE A 50 9.876 15.664 -2.889 1.00 0.00 C ATOM 788 CZ PHE A 50 10.557 16.580 -3.707 1.00 0.00 C ATOM 0 H PHE A 50 8.349 20.142 -0.560 1.00 0.00 H new ATOM 0 HA PHE A 50 5.876 18.568 -0.345 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.366 16.787 -1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.327 18.248 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.437 19.227 -3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.070 15.281 -1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.515 18.543 -4.625 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.301 14.688 -2.706 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.499 16.300 -4.155 1.00 0.00 H new ATOM 798 N ALA A 51 6.789 17.064 1.455 1.00 0.00 N ATOM 799 CA ALA A 51 7.206 16.703 2.818 1.00 0.00 C ATOM 800 C ALA A 51 7.777 15.337 3.028 1.00 0.00 C ATOM 801 O ALA A 51 7.236 14.353 2.535 1.00 0.00 O ATOM 802 CB ALA A 51 6.032 16.942 3.756 1.00 0.00 C ATOM 0 H ALA A 51 5.922 16.622 1.149 1.00 0.00 H new ATOM 0 HA ALA A 51 8.057 17.349 3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.320 16.680 4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.745 17.993 3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.188 16.324 3.448 1.00 0.00 H new ATOM 808 N PHE A 52 8.872 15.317 3.795 1.00 0.00 N ATOM 809 CA PHE A 52 9.383 14.095 4.341 1.00 0.00 C ATOM 810 C PHE A 52 9.406 14.068 5.877 1.00 0.00 C ATOM 811 O PHE A 52 9.825 15.058 6.480 1.00 0.00 O ATOM 812 CB PHE A 52 10.672 13.671 3.740 1.00 0.00 C ATOM 813 CG PHE A 52 10.556 13.323 2.288 1.00 0.00 C ATOM 814 CD1 PHE A 52 10.253 12.020 1.859 1.00 0.00 C ATOM 815 CD2 PHE A 52 10.733 14.348 1.365 1.00 0.00 C ATOM 816 CE1 PHE A 52 10.145 11.758 0.483 1.00 0.00 C ATOM 817 CE2 PHE A 52 10.723 14.065 0.002 1.00 0.00 C ATOM 818 CZ PHE A 52 10.382 12.783 -0.445 1.00 0.00 C ATOM 0 H PHE A 52 9.410 16.147 4.042 1.00 0.00 H new ATOM 0 HA PHE A 52 8.657 13.337 4.047 1.00 0.00 H new ATOM 0 HB2 PHE A 52 11.402 14.472 3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.054 12.808 4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.105 11.229 2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.878 15.363 1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.880 10.769 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.978 14.835 -0.711 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.301 12.583 -1.503 1.00 0.00 H new ATOM 828 N ILE A 53 8.985 12.982 6.540 1.00 0.00 N ATOM 829 CA ILE A 53 9.174 12.872 8.005 1.00 0.00 C ATOM 830 C ILE A 53 9.824 11.535 8.370 1.00 0.00 C ATOM 831 O ILE A 53 9.469 10.498 7.808 1.00 0.00 O ATOM 832 CB ILE A 53 7.889 13.218 8.791 1.00 0.00 C ATOM 833 CG1 ILE A 53 7.948 14.548 9.558 1.00 0.00 C ATOM 834 CG2 ILE A 53 7.460 12.069 9.708 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.593 14.996 10.128 1.00 0.00 C ATOM 0 H ILE A 53 8.523 12.183 6.105 1.00 0.00 H new ATOM 0 HA ILE A 53 9.883 13.635 8.326 1.00 0.00 H new ATOM 0 HB ILE A 53 7.125 13.359 8.027 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.662 14.454 10.376 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.326 15.324 8.892 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.553 12.350 10.244 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.267 11.179 9.110 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.254 11.859 10.424 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.715 15.942 10.655 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.880 15.124 9.314 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.222 14.240 10.820 1.00 0.00 H new ATOM 847 N THR A 54 10.808 11.569 9.269 1.00 0.00 N ATOM 848 CA THR A 54 11.475 10.360 9.776 1.00 0.00 C ATOM 849 C THR A 54 10.980 10.071 11.185 1.00 0.00 C ATOM 850 O THR A 54 10.966 10.962 12.046 1.00 0.00 O ATOM 851 CB THR A 54 13.000 10.512 9.840 1.00 0.00 C ATOM 852 OG1 THR A 54 13.476 11.119 8.658 1.00 0.00 O ATOM 853 CG2 THR A 54 13.722 9.175 10.009 1.00 0.00 C ATOM 0 H THR A 54 11.169 12.435 9.669 1.00 0.00 H new ATOM 0 HA THR A 54 11.237 9.551 9.086 1.00 0.00 H new ATOM 0 HB THR A 54 13.210 11.130 10.713 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.210 12.062 8.644 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.798 9.345 10.048 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.396 8.700 10.934 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.488 8.526 9.165 1.00 0.00 H new ATOM 861 N PHE A 55 10.599 8.808 11.390 1.00 0.00 N ATOM 862 CA PHE A 55 10.032 8.234 12.606 1.00 0.00 C ATOM 863 C PHE A 55 11.077 7.386 13.332 1.00 0.00 C ATOM 864 O PHE A 55 11.770 6.579 12.705 1.00 0.00 O ATOM 865 CB PHE A 55 8.870 7.293 12.245 1.00 0.00 C ATOM 866 CG PHE A 55 7.620 7.952 11.714 1.00 0.00 C ATOM 867 CD1 PHE A 55 7.522 8.289 10.358 1.00 0.00 C ATOM 868 CD2 PHE A 55 6.526 8.181 12.564 1.00 0.00 C ATOM 869 CE1 PHE A 55 6.351 8.883 9.870 1.00 0.00 C ATOM 870 CE2 PHE A 55 5.338 8.735 12.060 1.00 0.00 C ATOM 871 CZ PHE A 55 5.254 9.102 10.712 1.00 0.00 C ATOM 0 H PHE A 55 10.687 8.109 10.652 1.00 0.00 H new ATOM 0 HA PHE A 55 9.695 9.056 13.237 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.225 6.581 11.500 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.604 6.720 13.133 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.347 8.091 9.690 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.599 7.930 13.612 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.294 9.176 8.832 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.489 8.878 12.713 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.351 9.550 10.325 1.00 0.00 H new ATOM 881 N GLU A 56 11.161 7.550 14.656 1.00 0.00 N ATOM 882 CA GLU A 56 11.950 6.644 15.513 1.00 0.00 C ATOM 883 C GLU A 56 11.828 5.126 15.197 1.00 0.00 C ATOM 884 O GLU A 56 12.806 4.408 15.412 1.00 0.00 O ATOM 885 CB GLU A 56 11.635 6.919 16.994 1.00 0.00 C ATOM 886 CG GLU A 56 11.850 8.390 17.393 1.00 0.00 C ATOM 887 CD GLU A 56 11.869 8.559 18.927 1.00 0.00 C ATOM 888 OE1 GLU A 56 10.824 8.346 19.587 1.00 0.00 O ATOM 889 OE2 GLU A 56 12.937 8.912 19.487 1.00 0.00 O ATOM 0 H GLU A 56 10.693 8.301 15.163 1.00 0.00 H new ATOM 0 HA GLU A 56 12.990 6.877 15.286 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.601 6.641 17.197 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.264 6.284 17.617 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.790 8.749 16.974 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.056 9.004 16.967 1.00 0.00 H new ATOM 896 N ASN A 57 10.700 4.639 14.643 1.00 0.00 N ATOM 897 CA ASN A 57 10.623 3.268 14.095 1.00 0.00 C ATOM 898 C ASN A 57 9.865 3.220 12.745 1.00 0.00 C ATOM 899 O ASN A 57 8.907 3.975 12.540 1.00 0.00 O ATOM 900 CB ASN A 57 9.944 2.306 15.090 1.00 0.00 C ATOM 901 CG ASN A 57 10.425 2.409 16.528 1.00 0.00 C ATOM 902 OD1 ASN A 57 11.464 1.883 16.903 1.00 0.00 O ATOM 903 ND2 ASN A 57 9.664 3.046 17.385 1.00 0.00 N ATOM 0 H ASN A 57 9.833 5.171 14.563 1.00 0.00 H new ATOM 0 HA ASN A 57 11.651 2.949 13.926 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.870 2.489 15.070 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.100 1.284 14.745 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.938 3.104 18.366 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.798 3.484 17.071 1.00 0.00 H new ATOM 910 N PRO A 58 10.205 2.264 11.857 1.00 0.00 N ATOM 911 CA PRO A 58 9.513 2.016 10.582 1.00 0.00 C ATOM 912 C PRO A 58 8.068 1.542 10.808 1.00 0.00 C ATOM 913 O PRO A 58 7.168 1.871 10.033 1.00 0.00 O ATOM 914 CB PRO A 58 10.352 0.953 9.864 1.00 0.00 C ATOM 915 CG PRO A 58 11.000 0.200 11.024 1.00 0.00 C ATOM 916 CD PRO A 58 11.252 1.278 12.060 1.00 0.00 C ATOM 0 HA PRO A 58 9.428 2.926 9.987 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.735 0.297 9.249 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.096 1.401 9.205 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.344 -0.580 11.410 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.927 -0.285 10.718 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.215 0.868 13.069 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.239 1.722 11.932 1.00 0.00 H new ATOM 924 N ALA A 59 7.855 0.824 11.917 1.00 0.00 N ATOM 925 CA ALA A 59 6.517 0.506 12.403 1.00 0.00 C ATOM 926 C ALA A 59 5.592 1.721 12.412 1.00 0.00 C ATOM 927 O ALA A 59 4.552 1.763 11.760 1.00 0.00 O ATOM 928 CB ALA A 59 6.687 0.030 13.856 1.00 0.00 C ATOM 0 H ALA A 59 8.606 0.450 12.498 1.00 0.00 H new ATOM 0 HA ALA A 59 6.069 -0.241 11.748 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.712 -0.223 14.272 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.330 -0.850 13.878 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.139 0.825 14.449 1.00 0.00 H new ATOM 934 N ASP A 60 5.986 2.676 13.244 1.00 0.00 N ATOM 935 CA ASP A 60 5.239 3.894 13.435 1.00 0.00 C ATOM 936 C ASP A 60 5.033 4.720 12.160 1.00 0.00 C ATOM 937 O ASP A 60 3.985 5.330 11.955 1.00 0.00 O ATOM 938 CB ASP A 60 5.930 4.678 14.521 1.00 0.00 C ATOM 939 CG ASP A 60 6.078 3.954 15.867 1.00 0.00 C ATOM 940 OD1 ASP A 60 5.066 3.456 16.412 1.00 0.00 O ATOM 941 OD2 ASP A 60 7.213 3.920 16.392 1.00 0.00 O ATOM 0 H ASP A 60 6.837 2.619 13.803 1.00 0.00 H new ATOM 0 HA ASP A 60 4.222 3.636 13.729 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.922 4.958 14.168 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.377 5.603 14.685 1.00 0.00 H new ATOM 946 N ALA A 61 6.048 4.716 11.294 1.00 0.00 N ATOM 947 CA ALA A 61 5.927 5.283 9.955 1.00 0.00 C ATOM 948 C ALA A 61 4.753 4.667 9.184 1.00 0.00 C ATOM 949 O ALA A 61 3.866 5.358 8.690 1.00 0.00 O ATOM 950 CB ALA A 61 7.258 5.030 9.232 1.00 0.00 C ATOM 0 H ALA A 61 6.967 4.324 11.500 1.00 0.00 H new ATOM 0 HA ALA A 61 5.721 6.352 10.017 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.208 5.441 8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.067 5.512 9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.445 3.957 9.178 1.00 0.00 H new ATOM 956 N LYS A 62 4.776 3.340 9.091 1.00 0.00 N ATOM 957 CA LYS A 62 3.725 2.517 8.449 1.00 0.00 C ATOM 958 C LYS A 62 2.342 2.780 9.051 1.00 0.00 C ATOM 959 O LYS A 62 1.350 2.909 8.342 1.00 0.00 O ATOM 960 CB LYS A 62 4.108 1.024 8.456 1.00 0.00 C ATOM 961 CG LYS A 62 3.245 0.205 7.475 1.00 0.00 C ATOM 962 CD LYS A 62 3.536 -1.305 7.512 1.00 0.00 C ATOM 963 CE LYS A 62 4.943 -1.678 7.018 1.00 0.00 C ATOM 964 NZ LYS A 62 5.100 -3.155 6.937 1.00 0.00 N ATOM 0 H LYS A 62 5.542 2.781 9.467 1.00 0.00 H new ATOM 0 HA LYS A 62 3.656 2.820 7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.160 0.918 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.992 0.624 9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.192 0.369 7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.411 0.574 6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.413 -1.664 8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.797 -1.823 6.901 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.119 -1.235 6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.692 -1.265 7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.057 -3.384 6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.954 -3.572 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.399 -3.543 6.274 1.00 0.00 H new ATOM 978 N ASN A 63 2.300 2.847 10.375 1.00 0.00 N ATOM 979 CA ASN A 63 1.103 3.203 11.108 1.00 0.00 C ATOM 980 C ASN A 63 0.506 4.542 10.683 1.00 0.00 C ATOM 981 O ASN A 63 -0.625 4.580 10.213 1.00 0.00 O ATOM 982 CB ASN A 63 1.566 3.198 12.558 1.00 0.00 C ATOM 983 CG ASN A 63 0.495 2.926 13.575 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.413 2.131 13.386 1.00 0.00 O ATOM 985 ND2 ASN A 63 0.616 3.533 14.720 1.00 0.00 N ATOM 0 H ASN A 63 3.105 2.653 10.971 1.00 0.00 H new ATOM 0 HA ASN A 63 0.284 2.508 10.922 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.348 2.447 12.669 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.018 4.165 12.781 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.051 3.346 15.469 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.378 4.195 14.868 1.00 0.00 H new ATOM 992 N ALA A 64 1.283 5.623 10.826 1.00 0.00 N ATOM 993 CA ALA A 64 0.873 6.939 10.356 1.00 0.00 C ATOM 994 C ALA A 64 0.505 6.940 8.860 1.00 0.00 C ATOM 995 O ALA A 64 -0.488 7.552 8.472 1.00 0.00 O ATOM 996 CB ALA A 64 1.972 7.929 10.757 1.00 0.00 C ATOM 0 H ALA A 64 2.203 5.605 11.267 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.057 7.254 10.829 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.700 8.930 10.421 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.085 7.928 11.841 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.914 7.634 10.294 1.00 0.00 H new ATOM 1002 N ALA A 65 1.234 6.194 8.023 1.00 0.00 N ATOM 1003 CA ALA A 65 0.836 5.977 6.634 1.00 0.00 C ATOM 1004 C ALA A 65 -0.578 5.403 6.492 1.00 0.00 C ATOM 1005 O ALA A 65 -1.441 6.040 5.899 1.00 0.00 O ATOM 1006 CB ALA A 65 1.879 5.128 5.888 1.00 0.00 C ATOM 0 H ALA A 65 2.104 5.731 8.287 1.00 0.00 H new ATOM 0 HA ALA A 65 0.801 6.959 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.558 4.981 4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.841 5.640 5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.978 4.160 6.378 1.00 0.00 H new ATOM 1012 N LYS A 66 -0.786 4.196 7.018 1.00 0.00 N ATOM 1013 CA LYS A 66 -2.017 3.394 6.974 1.00 0.00 C ATOM 1014 C LYS A 66 -3.210 4.148 7.532 1.00 0.00 C ATOM 1015 O LYS A 66 -4.314 4.067 6.995 1.00 0.00 O ATOM 1016 CB LYS A 66 -1.781 2.025 7.649 1.00 0.00 C ATOM 1017 CG LYS A 66 -2.977 1.063 7.501 1.00 0.00 C ATOM 1018 CD LYS A 66 -3.979 1.140 8.670 1.00 0.00 C ATOM 1019 CE LYS A 66 -5.352 0.549 8.318 1.00 0.00 C ATOM 1020 NZ LYS A 66 -6.083 1.382 7.324 1.00 0.00 N ATOM 0 H LYS A 66 -0.044 3.713 7.525 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.272 3.199 5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.894 1.562 7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.576 2.180 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.499 1.286 6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.604 0.042 7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.569 0.609 9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.103 2.181 8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.222 -0.458 7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.950 0.459 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.043 1.578 7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.576 2.279 7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.142 0.872 6.420 1.00 0.00 H new ATOM 1034 N ASP A 67 -2.969 4.864 8.625 1.00 0.00 N ATOM 1035 CA ASP A 67 -3.942 5.808 9.170 1.00 0.00 C ATOM 1036 C ASP A 67 -4.398 6.849 8.143 1.00 0.00 C ATOM 1037 O ASP A 67 -5.572 6.972 7.791 1.00 0.00 O ATOM 1038 CB ASP A 67 -3.263 6.541 10.340 1.00 0.00 C ATOM 1039 CG ASP A 67 -4.254 7.194 11.323 1.00 0.00 C ATOM 1040 OD1 ASP A 67 -5.413 6.724 11.438 1.00 0.00 O ATOM 1041 OD2 ASP A 67 -3.876 8.180 11.991 1.00 0.00 O ATOM 0 H ASP A 67 -2.100 4.808 9.156 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.826 5.251 9.479 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.637 5.834 10.885 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.602 7.310 9.940 1.00 0.00 H new ATOM 1046 N MET A 68 -3.403 7.629 7.743 1.00 0.00 N ATOM 1047 CA MET A 68 -3.627 8.866 6.956 1.00 0.00 C ATOM 1048 C MET A 68 -4.091 8.672 5.508 1.00 0.00 C ATOM 1049 O MET A 68 -5.266 8.867 5.212 1.00 0.00 O ATOM 1050 CB MET A 68 -2.443 9.808 7.064 1.00 0.00 C ATOM 1051 CG MET A 68 -2.172 10.296 8.496 1.00 0.00 C ATOM 1052 SD MET A 68 -3.601 10.852 9.475 1.00 0.00 S ATOM 1053 CE MET A 68 -4.140 12.320 8.569 1.00 0.00 C ATOM 0 H MET A 68 -2.422 7.438 7.945 1.00 0.00 H new ATOM 0 HA MET A 68 -4.492 9.333 7.427 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.553 9.304 6.687 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.617 10.671 6.422 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.684 9.488 9.041 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.460 11.119 8.442 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.835 12.892 9.184 1.00 0.00 H new ATOM 0 HE2 MET A 68 -3.275 12.938 8.329 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.636 12.017 7.647 1.00 0.00 H new ATOM 1063 N ASN A 69 -3.120 8.339 4.639 1.00 0.00 N ATOM 1064 CA ASN A 69 -3.380 7.815 3.280 1.00 0.00 C ATOM 1065 C ASN A 69 -4.349 8.485 2.269 1.00 0.00 C ATOM 1066 O ASN A 69 -4.429 8.025 1.128 1.00 0.00 O ATOM 1067 CB ASN A 69 -3.653 6.310 3.455 1.00 0.00 C ATOM 1068 CG ASN A 69 -5.115 5.962 3.671 1.00 0.00 C ATOM 1069 OD1 ASN A 69 -5.851 5.614 2.760 1.00 0.00 O ATOM 1070 ND2 ASN A 69 -5.572 6.065 4.894 1.00 0.00 N ATOM 0 H ASN A 69 -2.127 8.425 4.858 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.479 8.091 2.732 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.292 5.782 2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.075 5.944 4.304 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.550 5.854 5.092 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.950 6.356 5.648 1.00 0.00 H new ATOM 1077 N GLY A 70 -5.007 9.589 2.610 1.00 0.00 N ATOM 1078 CA GLY A 70 -5.955 10.305 1.744 1.00 0.00 C ATOM 1079 C GLY A 70 -6.980 11.142 2.500 1.00 0.00 C ATOM 1080 O GLY A 70 -8.142 11.241 2.092 1.00 0.00 O ATOM 0 H GLY A 70 -4.896 10.028 3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.396 10.955 1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.481 9.580 1.122 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.524 11.732 3.610 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.327 12.705 4.344 1.00 0.00 C ATOM 1086 C LYS A 71 -7.071 14.078 3.709 1.00 0.00 C ATOM 1087 O LYS A 71 -6.387 14.204 2.687 1.00 0.00 O ATOM 1088 CB LYS A 71 -6.874 12.573 5.812 1.00 0.00 C ATOM 1089 CG LYS A 71 -7.543 13.448 6.895 1.00 0.00 C ATOM 1090 CD LYS A 71 -9.073 13.287 6.962 1.00 0.00 C ATOM 1091 CE LYS A 71 -9.704 14.212 8.016 1.00 0.00 C ATOM 1092 NZ LYS A 71 -10.089 15.545 7.469 1.00 0.00 N ATOM 0 H LYS A 71 -5.606 11.551 4.016 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.406 12.553 4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.010 11.532 6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.803 12.776 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.117 13.197 7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.305 14.494 6.703 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.504 13.504 5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.319 12.251 7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.587 13.728 8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.000 14.352 8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.267 16.204 8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.318 15.913 6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.951 15.449 6.895 1.00 0.00 H new ATOM 1106 N SER A 72 -7.601 15.126 4.312 1.00 0.00 N ATOM 1107 CA SER A 72 -7.452 16.475 3.790 1.00 0.00 C ATOM 1108 C SER A 72 -7.626 17.463 4.930 1.00 0.00 C ATOM 1109 O SER A 72 -8.515 17.311 5.777 1.00 0.00 O ATOM 1110 CB SER A 72 -8.433 16.661 2.625 1.00 0.00 C ATOM 1111 OG SER A 72 -9.785 16.583 3.048 1.00 0.00 O ATOM 0 H SER A 72 -8.145 15.069 5.173 1.00 0.00 H new ATOM 0 HA SER A 72 -6.457 16.656 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.256 17.628 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.246 15.899 1.869 1.00 0.00 H new ATOM 0 HG SER A 72 -10.377 16.708 2.277 1.00 0.00 H new ATOM 1117 N LEU A 73 -6.675 18.396 5.016 1.00 0.00 N ATOM 1118 CA LEU A 73 -6.528 19.250 6.203 1.00 0.00 C ATOM 1119 C LEU A 73 -5.822 20.604 5.994 1.00 0.00 C ATOM 1120 O LEU A 73 -5.549 21.297 6.976 1.00 0.00 O ATOM 1121 CB LEU A 73 -5.950 18.394 7.363 1.00 0.00 C ATOM 1122 CG LEU A 73 -4.502 17.855 7.361 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -3.979 17.163 6.104 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -3.485 18.933 7.749 1.00 0.00 C ATOM 0 H LEU A 73 -5.994 18.581 4.280 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.526 19.597 6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.060 18.986 8.271 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.604 17.528 7.466 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.593 17.067 8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.949 16.844 6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.598 16.293 5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.016 17.857 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.481 18.508 7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.541 19.758 7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.709 19.301 8.751 1.00 0.00 H new ATOM 1136 N HIS A 74 -5.567 21.018 4.743 1.00 0.00 N ATOM 1137 CA HIS A 74 -4.952 22.323 4.441 1.00 0.00 C ATOM 1138 C HIS A 74 -5.583 23.158 3.312 1.00 0.00 C ATOM 1139 O HIS A 74 -5.133 24.283 3.092 1.00 0.00 O ATOM 1140 CB HIS A 74 -3.443 22.168 4.226 1.00 0.00 C ATOM 1141 CG HIS A 74 -2.960 21.332 3.063 1.00 0.00 C ATOM 1142 ND1 HIS A 74 -2.591 21.788 1.814 1.00 0.00 N ATOM 1143 CD2 HIS A 74 -2.463 20.066 3.184 1.00 0.00 C ATOM 1144 CE1 HIS A 74 -1.859 20.832 1.211 1.00 0.00 C ATOM 1145 NE2 HIS A 74 -1.760 19.755 2.011 1.00 0.00 N ATOM 0 H HIS A 74 -5.780 20.462 3.915 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.162 22.915 5.332 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -3.020 23.166 4.114 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.021 21.743 5.137 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -2.832 22.695 1.415 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.590 19.416 4.037 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.417 20.917 0.230 1.00 0.00 H new ATOM 1153 N GLY A 75 -6.612 22.657 2.615 1.00 0.00 N ATOM 1154 CA GLY A 75 -7.133 23.318 1.403 1.00 0.00 C ATOM 1155 C GLY A 75 -6.870 22.573 0.085 1.00 0.00 C ATOM 1156 O GLY A 75 -7.054 23.170 -0.981 1.00 0.00 O ATOM 0 H GLY A 75 -7.102 21.798 2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.209 23.453 1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.692 24.313 1.333 1.00 0.00 H new ATOM 1160 N LYS A 76 -6.466 21.289 0.133 1.00 0.00 N ATOM 1161 CA LYS A 76 -6.424 20.443 -1.078 1.00 0.00 C ATOM 1162 C LYS A 76 -6.581 18.968 -0.723 1.00 0.00 C ATOM 1163 O LYS A 76 -7.596 18.389 -1.106 1.00 0.00 O ATOM 1164 CB LYS A 76 -5.139 20.697 -1.900 1.00 0.00 C ATOM 1165 CG LYS A 76 -5.241 20.038 -3.288 1.00 0.00 C ATOM 1166 CD LYS A 76 -4.244 20.607 -4.307 1.00 0.00 C ATOM 1167 CE LYS A 76 -2.798 20.168 -4.052 1.00 0.00 C ATOM 1168 NZ LYS A 76 -1.882 20.816 -5.025 1.00 0.00 N ATOM 0 H LYS A 76 -6.167 20.818 0.987 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.269 20.721 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.979 21.769 -2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.276 20.300 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.073 18.966 -3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.254 20.167 -3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.540 20.294 -5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.295 21.696 -4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.505 20.431 -3.036 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.720 19.084 -4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.993 20.279 -5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.329 20.834 -5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.682 21.789 -4.718 1.00 0.00 H new ATOM 1182 N ALA A 77 -5.601 18.456 0.041 1.00 0.00 N ATOM 1183 CA ALA A 77 -5.527 17.030 0.429 1.00 0.00 C ATOM 1184 C ALA A 77 -4.080 16.609 0.733 1.00 0.00 C ATOM 1185 O ALA A 77 -3.118 17.219 0.260 1.00 0.00 O ATOM 1186 CB ALA A 77 -6.128 16.062 -0.603 1.00 0.00 C ATOM 0 H ALA A 77 -4.834 19.018 0.410 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.138 16.956 1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.033 15.038 -0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.182 16.297 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.596 16.163 -1.549 1.00 0.00 H new ATOM 1192 N ILE A 78 -3.984 15.500 1.469 1.00 0.00 N ATOM 1193 CA ILE A 78 -2.706 14.810 1.704 1.00 0.00 C ATOM 1194 C ILE A 78 -2.722 13.409 1.112 1.00 0.00 C ATOM 1195 O ILE A 78 -3.690 12.657 1.217 1.00 0.00 O ATOM 1196 CB ILE A 78 -2.258 14.737 3.167 1.00 0.00 C ATOM 1197 CG1 ILE A 78 -3.331 14.041 4.006 1.00 0.00 C ATOM 1198 CG2 ILE A 78 -1.872 16.149 3.631 1.00 0.00 C ATOM 1199 CD1 ILE A 78 -2.831 13.720 5.399 1.00 0.00 C ATOM 0 H ILE A 78 -4.783 15.054 1.919 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.972 15.435 1.196 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.367 14.122 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.212 14.680 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.642 13.122 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.550 16.115 4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.058 16.526 3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.734 16.810 3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.621 13.226 5.964 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.966 13.060 5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.545 14.642 5.904 1.00 0.00 H new ATOM 1211 N LYS A 79 -1.618 13.097 0.458 1.00 0.00 N ATOM 1212 CA LYS A 79 -1.319 11.725 0.042 1.00 0.00 C ATOM 1213 C LYS A 79 -0.140 11.246 0.875 1.00 0.00 C ATOM 1214 O LYS A 79 0.810 12.005 1.058 1.00 0.00 O ATOM 1215 CB LYS A 79 -1.044 11.761 -1.466 1.00 0.00 C ATOM 1216 CG LYS A 79 -0.234 10.626 -2.110 1.00 0.00 C ATOM 1217 CD LYS A 79 1.279 10.843 -2.043 1.00 0.00 C ATOM 1218 CE LYS A 79 1.958 9.875 -3.008 1.00 0.00 C ATOM 1219 NZ LYS A 79 1.902 10.361 -4.415 1.00 0.00 N ATOM 0 H LYS A 79 -0.903 13.777 0.198 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.136 11.022 0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.008 11.805 -1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.527 12.696 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.481 9.687 -1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.533 10.524 -3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.525 11.872 -2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.639 10.678 -1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.998 9.738 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.477 8.899 -2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.501 9.758 -5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.920 10.323 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.245 11.342 -4.457 1.00 0.00 H new ATOM 1233 N VAL A 80 -0.206 10.023 1.400 1.00 0.00 N ATOM 1234 CA VAL A 80 0.815 9.487 2.318 1.00 0.00 C ATOM 1235 C VAL A 80 1.407 8.178 1.810 1.00 0.00 C ATOM 1236 O VAL A 80 0.694 7.213 1.537 1.00 0.00 O ATOM 1237 CB VAL A 80 0.277 9.331 3.749 1.00 0.00 C ATOM 1238 CG1 VAL A 80 1.414 8.897 4.679 1.00 0.00 C ATOM 1239 CG2 VAL A 80 -0.367 10.636 4.238 1.00 0.00 C ATOM 0 H VAL A 80 -0.966 9.371 1.205 1.00 0.00 H new ATOM 0 HA VAL A 80 1.620 10.221 2.349 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.496 8.563 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.032 8.787 5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.819 7.944 4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.201 9.651 4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.740 10.500 5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.375 11.434 4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.194 10.902 3.580 1.00 0.00 H new ATOM 1249 N GLU A 81 2.726 8.186 1.659 1.00 0.00 N ATOM 1250 CA GLU A 81 3.551 7.118 1.094 1.00 0.00 C ATOM 1251 C GLU A 81 4.808 6.880 1.950 1.00 0.00 C ATOM 1252 O GLU A 81 5.351 7.828 2.512 1.00 0.00 O ATOM 1253 CB GLU A 81 3.857 7.460 -0.374 1.00 0.00 C ATOM 1254 CG GLU A 81 4.624 6.378 -1.142 1.00 0.00 C ATOM 1255 CD GLU A 81 3.894 5.020 -1.143 1.00 0.00 C ATOM 1256 OE1 GLU A 81 4.025 4.262 -0.151 1.00 0.00 O ATOM 1257 OE2 GLU A 81 3.184 4.711 -2.130 1.00 0.00 O ATOM 0 H GLU A 81 3.286 8.989 1.945 1.00 0.00 H new ATOM 0 HA GLU A 81 3.014 6.170 1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.917 7.654 -0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.434 8.384 -0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.775 6.706 -2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.612 6.255 -0.699 1.00 0.00 H new ATOM 1264 N GLN A 82 5.302 5.646 2.066 1.00 0.00 N ATOM 1265 CA GLN A 82 6.601 5.397 2.713 1.00 0.00 C ATOM 1266 C GLN A 82 7.665 5.577 1.614 1.00 0.00 C ATOM 1267 O GLN A 82 7.650 4.911 0.577 1.00 0.00 O ATOM 1268 CB GLN A 82 6.614 4.011 3.359 1.00 0.00 C ATOM 1269 CG GLN A 82 7.993 3.706 3.974 1.00 0.00 C ATOM 1270 CD GLN A 82 7.930 2.795 5.195 1.00 0.00 C ATOM 1271 OE1 GLN A 82 6.952 2.116 5.481 1.00 0.00 O ATOM 1272 NE2 GLN A 82 8.961 2.783 6.005 1.00 0.00 N ATOM 0 H GLN A 82 4.831 4.808 1.725 1.00 0.00 H new ATOM 0 HA GLN A 82 6.805 6.090 3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.847 3.958 4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.368 3.255 2.613 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.624 3.241 3.217 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.471 4.644 4.256 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.787 3.341 5.788 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.937 2.216 6.853 1.00 0.00 H new ATOM 1281 N ALA A 83 8.512 6.590 1.822 1.00 0.00 N ATOM 1282 CA ALA A 83 9.433 7.165 0.843 1.00 0.00 C ATOM 1283 C ALA A 83 10.378 6.145 0.174 1.00 0.00 C ATOM 1284 O ALA A 83 10.725 5.122 0.768 1.00 0.00 O ATOM 1285 CB ALA A 83 10.185 8.316 1.523 1.00 0.00 C ATOM 0 H ALA A 83 8.575 7.054 2.728 1.00 0.00 H new ATOM 0 HA ALA A 83 8.849 7.541 0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.881 8.765 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.472 9.069 1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.737 7.933 2.381 1.00 0.00 H new ATOM 1291 N LYS A 84 10.832 6.477 -1.047 1.00 0.00 N ATOM 1292 CA LYS A 84 11.519 5.504 -1.919 1.00 0.00 C ATOM 1293 C LYS A 84 12.840 6.017 -2.497 1.00 0.00 C ATOM 1294 O LYS A 84 13.246 5.730 -3.626 1.00 0.00 O ATOM 1295 CB LYS A 84 10.523 5.097 -3.003 1.00 0.00 C ATOM 1296 CG LYS A 84 10.481 3.580 -3.164 1.00 0.00 C ATOM 1297 CD LYS A 84 11.859 2.990 -3.502 1.00 0.00 C ATOM 1298 CE LYS A 84 11.916 1.534 -3.076 1.00 0.00 C ATOM 1299 NZ LYS A 84 11.025 0.655 -3.875 1.00 0.00 N ATOM 0 H LYS A 84 10.737 7.408 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 84 11.821 4.639 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.530 5.467 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.801 5.559 -3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.112 3.129 -2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.774 3.320 -3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.047 3.072 -4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.641 3.557 -2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.942 1.176 -3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.641 1.459 -2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.109 -0.325 -3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.040 0.974 -3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.301 0.700 -4.877 1.00 0.00 H new ATOM 1313 N LYS A 85 13.455 6.783 -1.612 1.00 0.00 N ATOM 1314 CA LYS A 85 14.678 7.559 -1.918 1.00 0.00 C ATOM 1315 C LYS A 85 14.570 8.507 -3.141 1.00 0.00 C ATOM 1316 O LYS A 85 13.609 8.433 -3.910 1.00 0.00 O ATOM 1317 CB LYS A 85 15.886 6.592 -1.960 1.00 0.00 C ATOM 1318 CG LYS A 85 16.351 6.234 -0.537 1.00 0.00 C ATOM 1319 CD LYS A 85 17.645 5.405 -0.516 1.00 0.00 C ATOM 1320 CE LYS A 85 17.546 4.039 -1.209 1.00 0.00 C ATOM 1321 NZ LYS A 85 16.646 3.098 -0.491 1.00 0.00 N ATOM 0 H LYS A 85 13.130 6.895 -0.652 1.00 0.00 H new ATOM 0 HA LYS A 85 14.831 8.273 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.612 5.684 -2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.707 7.052 -2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.506 7.152 0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.561 5.677 -0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.437 5.982 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.944 5.250 0.521 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.183 4.178 -2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.541 3.600 -1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.614 2.192 -1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 17.005 2.942 0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.689 3.502 -0.443 1.00 0.00 H new ATOM 1335 N PRO A 86 15.533 9.429 -3.358 1.00 0.00 N ATOM 1336 CA PRO A 86 15.487 10.338 -4.506 1.00 0.00 C ATOM 1337 C PRO A 86 15.994 9.729 -5.827 1.00 0.00 C ATOM 1338 O PRO A 86 16.064 10.428 -6.840 1.00 0.00 O ATOM 1339 CB PRO A 86 16.245 11.573 -4.042 1.00 0.00 C ATOM 1340 CG PRO A 86 17.337 10.988 -3.154 1.00 0.00 C ATOM 1341 CD PRO A 86 16.607 9.838 -2.452 1.00 0.00 C ATOM 0 HA PRO A 86 14.461 10.582 -4.782 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.662 12.130 -4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.601 12.259 -3.492 1.00 0.00 H new ATOM 0 HG2 PRO A 86 18.188 10.634 -3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 86 17.719 11.721 -2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 86 17.286 9.009 -2.252 1.00 0.00 H new ATOM 0 HD3 PRO A 86 16.205 10.160 -1.491 1.00 0.00 H new