USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 824 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 66 ASN : amide:sc= -2.03 K(o=-2.3,f=-0.75) USER MOD Set 1.2: A 85 SER OG : rot 63:sc= -0.266 USER MOD Single : A 11 THR OG1 : rot -27:sc= 0.113 USER MOD Single : A 13 ASN : amide:sc= -0.198 K(o=-0.2,f=-6.2!) USER MOD Single : A 17 CYS SG : rot -92:sc= 1.27 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 36:sc= 0.338 USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 0.318 (180deg=0.218) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 25 GLN : amide:sc=-0.00436 K(o=-0.0044,f=-3.4!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 27 TYR OH : rot 21:sc= -1.65! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -5.33! C(o=-5.3!,f=-5.7!) USER MOD Single : A 49 SER OG : rot -107:sc= 0.512 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -157:sc= -0.0409 (180deg=-0.307) USER MOD Single : A 87 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 88 SER OG : rot 35:sc= 1.23 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 109:sc= 0.337 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc=-0.00922 X(o=-0.0092,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -124:sc= -0.114 (180deg=-1.43!) USER MOD Single : A 114 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -11.078 -11.110 8.628 1.00 0.00 N ATOM 105 CA THR A 11 -10.362 -10.069 7.900 1.00 0.00 C ATOM 106 C THR A 11 -9.544 -9.200 8.847 1.00 0.00 C ATOM 107 O THR A 11 -10.007 -8.836 9.929 1.00 0.00 O ATOM 108 CB THR A 11 -11.330 -9.173 7.105 1.00 0.00 C ATOM 109 OG1 THR A 11 -12.327 -8.632 7.979 1.00 0.00 O ATOM 110 CG2 THR A 11 -12.000 -9.957 5.987 1.00 0.00 C ATOM 0 HA THR A 11 -9.692 -10.573 7.204 1.00 0.00 H new ATOM 0 HB THR A 11 -10.755 -8.359 6.662 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.456 -9.235 8.741 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.679 -9.303 5.440 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.240 -10.342 5.307 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.562 -10.789 6.412 1.00 0.00 H new ATOM 118 N PHE A 12 -8.325 -8.869 8.435 1.00 0.00 N ATOM 119 CA PHE A 12 -7.441 -8.041 9.248 1.00 0.00 C ATOM 120 C PHE A 12 -7.934 -6.598 9.290 1.00 0.00 C ATOM 121 O PHE A 12 -8.837 -6.218 8.547 1.00 0.00 O ATOM 122 CB PHE A 12 -6.014 -8.089 8.698 1.00 0.00 C ATOM 123 CG PHE A 12 -5.408 -9.463 8.722 1.00 0.00 C ATOM 124 CD1 PHE A 12 -5.716 -10.388 7.738 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.529 -9.829 9.729 1.00 0.00 C ATOM 126 CE1 PHE A 12 -5.160 -11.653 7.759 1.00 0.00 C ATOM 127 CE2 PHE A 12 -3.970 -11.093 9.755 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.285 -12.006 8.768 1.00 0.00 C ATOM 0 H PHE A 12 -7.926 -9.161 7.543 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.445 -8.437 10.263 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.016 -7.719 7.673 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.386 -7.414 9.279 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.398 -10.118 6.946 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.278 -9.118 10.502 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.410 -12.366 6.987 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.288 -11.366 10.546 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.848 -12.994 8.785 1.00 0.00 H new ATOM 138 N ASN A 13 -7.334 -5.799 10.166 1.00 0.00 N ATOM 139 CA ASN A 13 -7.712 -4.398 10.307 1.00 0.00 C ATOM 140 C ASN A 13 -6.576 -3.481 9.864 1.00 0.00 C ATOM 141 O ASN A 13 -5.800 -2.976 10.675 1.00 0.00 O ATOM 142 CB ASN A 13 -8.091 -4.094 11.758 1.00 0.00 C ATOM 143 CG ASN A 13 -6.959 -4.384 12.725 1.00 0.00 C ATOM 144 OD1 ASN A 13 -6.204 -5.341 12.545 1.00 0.00 O ATOM 145 ND2 ASN A 13 -6.835 -3.558 13.757 1.00 0.00 N ATOM 0 H ASN A 13 -6.584 -6.098 10.789 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.575 -4.214 9.667 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.379 -3.046 11.843 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.962 -4.687 12.035 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.092 -3.703 14.440 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.483 -2.778 13.867 1.00 0.00 H new ATOM 152 N PRO A 14 -6.475 -3.259 8.545 1.00 0.00 N ATOM 153 CA PRO A 14 -5.439 -2.401 7.963 1.00 0.00 C ATOM 154 C PRO A 14 -5.653 -0.928 8.294 1.00 0.00 C ATOM 155 O PRO A 14 -6.666 -0.556 8.885 1.00 0.00 O ATOM 156 CB PRO A 14 -5.585 -2.639 6.458 1.00 0.00 C ATOM 157 CG PRO A 14 -7.002 -3.063 6.278 1.00 0.00 C ATOM 158 CD PRO A 14 -7.366 -3.829 7.520 1.00 0.00 C ATOM 0 HA PRO A 14 -4.448 -2.638 8.351 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.367 -1.734 5.891 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.894 -3.407 6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.654 -2.199 6.147 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.114 -3.684 5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.416 -3.696 7.781 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.202 -4.899 7.395 1.00 0.00 H new ATOM 166 N ARG A 15 -4.693 -0.094 7.907 1.00 0.00 N ATOM 167 CA ARG A 15 -4.776 1.339 8.164 1.00 0.00 C ATOM 168 C ARG A 15 -4.826 2.123 6.856 1.00 0.00 C ATOM 169 O ARG A 15 -4.033 1.882 5.946 1.00 0.00 O ATOM 170 CB ARG A 15 -3.582 1.799 9.002 1.00 0.00 C ATOM 171 CG ARG A 15 -3.513 3.306 9.186 1.00 0.00 C ATOM 172 CD ARG A 15 -2.130 3.749 9.639 1.00 0.00 C ATOM 173 NE ARG A 15 -2.006 5.203 9.678 1.00 0.00 N ATOM 174 CZ ARG A 15 -2.489 5.956 10.661 1.00 0.00 C ATOM 175 NH1 ARG A 15 -3.123 5.393 11.680 1.00 0.00 N ATOM 176 NH2 ARG A 15 -2.337 7.273 10.625 1.00 0.00 N ATOM 0 H ARG A 15 -3.849 -0.386 7.414 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.695 1.531 8.718 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.631 1.324 9.982 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.662 1.457 8.528 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.765 3.800 8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.255 3.618 9.921 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.925 3.341 10.629 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.379 3.339 8.964 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.522 5.666 8.909 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.241 4.380 11.711 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.493 5.973 12.433 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.849 7.709 9.842 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.708 7.850 11.380 1.00 0.00 H new ATOM 190 N GLU A 16 -5.764 3.061 6.769 1.00 0.00 N ATOM 191 CA GLU A 16 -5.918 3.879 5.572 1.00 0.00 C ATOM 192 C GLU A 16 -5.258 5.242 5.756 1.00 0.00 C ATOM 193 O GLU A 16 -5.601 5.991 6.672 1.00 0.00 O ATOM 194 CB GLU A 16 -7.400 4.058 5.236 1.00 0.00 C ATOM 195 CG GLU A 16 -7.645 4.898 3.994 1.00 0.00 C ATOM 196 CD GLU A 16 -9.121 5.098 3.707 1.00 0.00 C ATOM 197 OE1 GLU A 16 -9.762 4.151 3.205 1.00 0.00 O ATOM 198 OE2 GLU A 16 -9.634 6.202 3.985 1.00 0.00 O ATOM 0 H GLU A 16 -6.429 3.273 7.513 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.426 3.365 4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.853 3.077 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.903 4.523 6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.168 5.870 4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.174 4.418 3.136 1.00 0.00 H new ATOM 205 N CYS A 17 -4.310 5.557 4.881 1.00 0.00 N ATOM 206 CA CYS A 17 -3.600 6.829 4.947 1.00 0.00 C ATOM 207 C CYS A 17 -4.054 7.764 3.831 1.00 0.00 C ATOM 208 O CYS A 17 -4.348 7.325 2.719 1.00 0.00 O ATOM 209 CB CYS A 17 -2.090 6.601 4.854 1.00 0.00 C ATOM 210 SG CYS A 17 -1.398 5.671 6.242 1.00 0.00 S ATOM 0 H CYS A 17 -4.015 4.949 4.117 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.831 7.296 5.905 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.870 6.069 3.928 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.590 7.568 4.793 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.990 6.498 7.158 1.00 0.00 H new ATOM 216 N LYS A 18 -4.112 9.056 4.135 1.00 0.00 N ATOM 217 CA LYS A 18 -4.531 10.055 3.159 1.00 0.00 C ATOM 218 C LYS A 18 -3.455 11.120 2.974 1.00 0.00 C ATOM 219 O LYS A 18 -3.386 12.086 3.735 1.00 0.00 O ATOM 220 CB LYS A 18 -5.842 10.710 3.599 1.00 0.00 C ATOM 221 CG LYS A 18 -7.081 9.996 3.086 1.00 0.00 C ATOM 222 CD LYS A 18 -8.267 10.202 4.014 1.00 0.00 C ATOM 223 CE LYS A 18 -8.292 9.163 5.125 1.00 0.00 C ATOM 224 NZ LYS A 18 -9.425 9.385 6.066 1.00 0.00 N ATOM 0 H LYS A 18 -3.874 9.436 5.051 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.686 9.551 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.875 10.741 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.857 11.743 3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.328 10.364 2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.874 8.930 2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.221 11.200 4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.193 10.146 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.372 8.167 4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.351 9.196 5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.407 8.657 6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.336 10.325 6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.324 9.328 5.546 1.00 0.00 H new ATOM 238 N LEU A 19 -2.618 10.939 1.958 1.00 0.00 N ATOM 239 CA LEU A 19 -1.546 11.886 1.672 1.00 0.00 C ATOM 240 C LEU A 19 -2.081 13.105 0.927 1.00 0.00 C ATOM 241 O LEU A 19 -2.957 12.987 0.071 1.00 0.00 O ATOM 242 CB LEU A 19 -0.449 11.211 0.847 1.00 0.00 C ATOM 243 CG LEU A 19 0.650 10.506 1.642 1.00 0.00 C ATOM 244 CD1 LEU A 19 0.218 9.096 2.016 1.00 0.00 C ATOM 245 CD2 LEU A 19 1.947 10.474 0.847 1.00 0.00 C ATOM 0 H LEU A 19 -2.661 10.145 1.319 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.126 12.219 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.916 10.481 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.016 11.965 0.212 1.00 0.00 H new ATOM 0 HG LEU A 19 0.823 11.067 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.013 8.610 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.685 9.142 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.016 8.525 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.718 9.968 1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.787 9.937 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.266 11.493 0.630 1.00 0.00 H new ATOM 257 N SER A 20 -1.545 14.276 1.257 1.00 0.00 N ATOM 258 CA SER A 20 -1.970 15.518 0.621 1.00 0.00 C ATOM 259 C SER A 20 -0.767 16.307 0.113 1.00 0.00 C ATOM 260 O SER A 20 0.139 16.641 0.877 1.00 0.00 O ATOM 261 CB SER A 20 -2.775 16.370 1.603 1.00 0.00 C ATOM 262 OG SER A 20 -1.957 16.842 2.659 1.00 0.00 O ATOM 0 H SER A 20 -0.816 14.391 1.961 1.00 0.00 H new ATOM 0 HA SER A 20 -2.602 15.264 -0.230 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.219 17.215 1.077 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.597 15.782 2.011 1.00 0.00 H new ATOM 0 HG SER A 20 -1.061 17.039 2.315 1.00 0.00 H new ATOM 268 N LYS A 21 -0.764 16.602 -1.182 1.00 0.00 N ATOM 269 CA LYS A 21 0.326 17.353 -1.794 1.00 0.00 C ATOM 270 C LYS A 21 -0.214 18.437 -2.721 1.00 0.00 C ATOM 271 O LYS A 21 -1.385 18.415 -3.100 1.00 0.00 O ATOM 272 CB LYS A 21 1.245 16.411 -2.576 1.00 0.00 C ATOM 273 CG LYS A 21 0.591 15.803 -3.804 1.00 0.00 C ATOM 274 CD LYS A 21 1.589 15.011 -4.632 1.00 0.00 C ATOM 275 CE LYS A 21 0.897 14.220 -5.732 1.00 0.00 C ATOM 276 NZ LYS A 21 1.862 13.401 -6.517 1.00 0.00 N ATOM 0 H LYS A 21 -1.505 16.332 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 21 0.897 17.831 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.136 16.959 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.575 15.609 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.227 15.151 -3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.156 16.594 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.317 15.691 -5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.141 14.330 -3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.142 13.569 -5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.376 14.906 -6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.411 13.082 -7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.699 13.974 -6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.151 12.574 -5.957 1.00 0.00 H new ATOM 290 N GLN A 22 0.647 19.383 -3.083 1.00 0.00 N ATOM 291 CA GLN A 22 0.255 20.475 -3.966 1.00 0.00 C ATOM 292 C GLN A 22 0.650 20.177 -5.409 1.00 0.00 C ATOM 293 O GLN A 22 1.566 19.395 -5.662 1.00 0.00 O ATOM 294 CB GLN A 22 0.899 21.785 -3.509 1.00 0.00 C ATOM 295 CG GLN A 22 0.389 22.277 -2.164 1.00 0.00 C ATOM 296 CD GLN A 22 1.378 23.187 -1.463 1.00 0.00 C ATOM 297 OE1 GLN A 22 2.185 23.859 -2.106 1.00 0.00 O ATOM 298 NE2 GLN A 22 1.319 23.216 -0.136 1.00 0.00 N ATOM 0 H GLN A 22 1.620 19.415 -2.779 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.829 20.575 -3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.979 21.648 -3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.715 22.552 -4.261 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.550 22.811 -2.309 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.174 21.420 -1.526 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.634 22.643 0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.958 23.812 0.390 1.00 0.00 H new ATOM 307 N GLU A 23 -0.049 20.804 -6.350 1.00 0.00 N ATOM 308 CA GLU A 23 0.229 20.604 -7.767 1.00 0.00 C ATOM 309 C GLU A 23 1.691 20.907 -8.083 1.00 0.00 C ATOM 310 O GLU A 23 2.155 22.032 -7.905 1.00 0.00 O ATOM 311 CB GLU A 23 -0.683 21.490 -8.618 1.00 0.00 C ATOM 312 CG GLU A 23 -1.021 20.892 -9.973 1.00 0.00 C ATOM 313 CD GLU A 23 -1.259 21.948 -11.035 1.00 0.00 C ATOM 314 OE1 GLU A 23 -0.267 22.450 -11.604 1.00 0.00 O ATOM 315 OE2 GLU A 23 -2.436 22.273 -11.297 1.00 0.00 O ATOM 0 H GLU A 23 -0.811 21.454 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 23 0.033 19.559 -8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.608 21.676 -8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.201 22.456 -8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.208 20.240 -10.291 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.911 20.270 -9.879 1.00 0.00 H new ATOM 322 N GLY A 24 2.411 19.894 -8.554 1.00 0.00 N ATOM 323 CA GLY A 24 3.812 20.071 -8.887 1.00 0.00 C ATOM 324 C GLY A 24 4.717 19.940 -7.678 1.00 0.00 C ATOM 325 O GLY A 24 5.859 20.398 -7.697 1.00 0.00 O ATOM 0 H GLY A 24 2.049 18.953 -8.711 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.101 19.332 -9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.954 21.053 -9.338 1.00 0.00 H new ATOM 329 N GLN A 25 4.205 19.315 -6.623 1.00 0.00 N ATOM 330 CA GLN A 25 4.974 19.127 -5.398 1.00 0.00 C ATOM 331 C GLN A 25 5.110 17.646 -5.062 1.00 0.00 C ATOM 332 O GLN A 25 4.132 16.900 -5.094 1.00 0.00 O ATOM 333 CB GLN A 25 4.310 19.867 -4.236 1.00 0.00 C ATOM 334 CG GLN A 25 5.264 20.191 -3.097 1.00 0.00 C ATOM 335 CD GLN A 25 4.571 20.231 -1.749 1.00 0.00 C ATOM 336 OE1 GLN A 25 3.372 20.494 -1.662 1.00 0.00 O ATOM 337 NE2 GLN A 25 5.325 19.968 -0.688 1.00 0.00 N ATOM 0 H GLN A 25 3.261 18.930 -6.592 1.00 0.00 H new ATOM 0 HA GLN A 25 5.971 19.537 -5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.874 20.794 -4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.490 19.261 -3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.059 19.446 -3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.737 21.155 -3.287 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.315 19.755 -0.806 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.914 19.979 0.245 1.00 0.00 H new ATOM 346 N ASN A 26 6.330 17.227 -4.741 1.00 0.00 N ATOM 347 CA ASN A 26 6.594 15.834 -4.400 1.00 0.00 C ATOM 348 C ASN A 26 5.933 15.463 -3.076 1.00 0.00 C ATOM 349 O ASN A 26 5.477 16.333 -2.333 1.00 0.00 O ATOM 350 CB ASN A 26 8.101 15.584 -4.318 1.00 0.00 C ATOM 351 CG ASN A 26 8.811 15.898 -5.621 1.00 0.00 C ATOM 352 OD1 ASN A 26 8.289 15.634 -6.704 1.00 0.00 O ATOM 353 ND2 ASN A 26 10.008 16.464 -5.521 1.00 0.00 N ATOM 0 H ASN A 26 7.151 17.832 -4.710 1.00 0.00 H new ATOM 0 HA ASN A 26 6.171 15.208 -5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.525 16.194 -3.520 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.280 14.542 -4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.534 16.698 -6.363 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.402 16.665 -4.602 1.00 0.00 H new ATOM 360 N TYR A 27 5.887 14.168 -2.786 1.00 0.00 N ATOM 361 CA TYR A 27 5.281 13.681 -1.553 1.00 0.00 C ATOM 362 C TYR A 27 6.332 13.508 -0.460 1.00 0.00 C ATOM 363 O TYR A 27 6.168 13.995 0.658 1.00 0.00 O ATOM 364 CB TYR A 27 4.563 12.353 -1.801 1.00 0.00 C ATOM 365 CG TYR A 27 3.114 12.513 -2.201 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.222 13.205 -1.391 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.637 11.973 -3.389 1.00 0.00 C ATOM 368 CE1 TYR A 27 0.897 13.353 -1.752 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.314 12.117 -3.758 1.00 0.00 C ATOM 370 CZ TYR A 27 0.447 12.807 -2.936 1.00 0.00 C ATOM 371 OH TYR A 27 -0.872 12.954 -3.300 1.00 0.00 O ATOM 0 H TYR A 27 6.263 13.436 -3.389 1.00 0.00 H new ATOM 0 HA TYR A 27 4.554 14.422 -1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.089 11.806 -2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.617 11.746 -0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.571 13.634 -0.463 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.312 11.431 -4.035 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.217 13.893 -1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.960 11.692 -4.685 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.261 13.716 -2.821 1.00 0.00 H new ATOM 381 N GLY A 28 7.413 12.811 -0.794 1.00 0.00 N ATOM 382 CA GLY A 28 8.476 12.585 0.167 1.00 0.00 C ATOM 383 C GLY A 28 8.876 11.126 0.258 1.00 0.00 C ATOM 384 O GLY A 28 10.034 10.807 0.530 1.00 0.00 O ATOM 0 H GLY A 28 7.572 12.399 -1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.346 13.180 -0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.154 12.932 1.149 1.00 0.00 H new ATOM 388 N PHE A 29 7.916 10.235 0.031 1.00 0.00 N ATOM 389 CA PHE A 29 8.174 8.801 0.091 1.00 0.00 C ATOM 390 C PHE A 29 8.119 8.180 -1.302 1.00 0.00 C ATOM 391 O PHE A 29 7.370 8.634 -2.167 1.00 0.00 O ATOM 392 CB PHE A 29 7.157 8.117 1.007 1.00 0.00 C ATOM 393 CG PHE A 29 5.921 7.654 0.290 1.00 0.00 C ATOM 394 CD1 PHE A 29 4.931 8.555 -0.065 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.749 6.316 -0.028 1.00 0.00 C ATOM 396 CE1 PHE A 29 3.793 8.132 -0.725 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.613 5.887 -0.688 1.00 0.00 C ATOM 398 CZ PHE A 29 3.633 6.796 -1.036 1.00 0.00 C ATOM 0 H PHE A 29 6.953 10.481 -0.196 1.00 0.00 H new ATOM 0 HA PHE A 29 9.175 8.653 0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.631 7.261 1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.870 8.809 1.799 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.050 9.601 0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.511 5.601 0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.029 8.846 -0.997 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.492 4.842 -0.931 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.744 6.463 -1.550 1.00 0.00 H new ATOM 408 N PHE A 30 8.919 7.140 -1.511 1.00 0.00 N ATOM 409 CA PHE A 30 8.964 6.457 -2.799 1.00 0.00 C ATOM 410 C PHE A 30 8.683 4.966 -2.634 1.00 0.00 C ATOM 411 O PHE A 30 9.159 4.334 -1.689 1.00 0.00 O ATOM 412 CB PHE A 30 10.328 6.660 -3.461 1.00 0.00 C ATOM 413 CG PHE A 30 10.657 8.102 -3.725 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.991 8.809 -4.712 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.633 8.750 -2.985 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.291 10.136 -4.957 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.938 10.077 -3.225 1.00 0.00 C ATOM 418 CZ PHE A 30 11.266 10.770 -4.213 1.00 0.00 C ATOM 0 H PHE A 30 9.545 6.752 -0.805 1.00 0.00 H new ATOM 0 HA PHE A 30 8.191 6.886 -3.437 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.100 6.230 -2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.351 6.112 -4.403 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.228 8.318 -5.297 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.162 8.212 -2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.763 10.676 -5.729 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.700 10.571 -2.641 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.503 11.806 -4.403 1.00 0.00 H new ATOM 428 N LEU A 31 7.907 4.410 -3.557 1.00 0.00 N ATOM 429 CA LEU A 31 7.562 2.993 -3.515 1.00 0.00 C ATOM 430 C LEU A 31 8.671 2.144 -4.129 1.00 0.00 C ATOM 431 O LEU A 31 8.836 2.108 -5.348 1.00 0.00 O ATOM 432 CB LEU A 31 6.246 2.747 -4.255 1.00 0.00 C ATOM 433 CG LEU A 31 5.022 3.482 -3.710 1.00 0.00 C ATOM 434 CD1 LEU A 31 3.936 3.570 -4.771 1.00 0.00 C ATOM 435 CD2 LEU A 31 4.495 2.789 -2.462 1.00 0.00 C ATOM 0 H LEU A 31 7.504 4.919 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 31 7.444 2.703 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.381 3.031 -5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.039 1.677 -4.240 1.00 0.00 H new ATOM 0 HG LEU A 31 5.321 4.495 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.072 4.096 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.317 4.111 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.640 2.565 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.624 3.326 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.213 1.765 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.271 2.779 -1.696 1.00 0.00 H new ATOM 447 N ARG A 32 9.427 1.462 -3.275 1.00 0.00 N ATOM 448 CA ARG A 32 10.520 0.612 -3.734 1.00 0.00 C ATOM 449 C ARG A 32 10.187 -0.862 -3.523 1.00 0.00 C ATOM 450 O ARG A 32 9.705 -1.254 -2.460 1.00 0.00 O ATOM 451 CB ARG A 32 11.812 0.964 -2.995 1.00 0.00 C ATOM 452 CG ARG A 32 12.551 2.150 -3.593 1.00 0.00 C ATOM 453 CD ARG A 32 13.449 1.725 -4.745 1.00 0.00 C ATOM 454 NE ARG A 32 14.748 1.247 -4.278 1.00 0.00 N ATOM 455 CZ ARG A 32 15.717 2.050 -3.853 1.00 0.00 C ATOM 456 NH1 ARG A 32 15.534 3.363 -3.834 1.00 0.00 N ATOM 457 NH2 ARG A 32 16.871 1.539 -3.444 1.00 0.00 N ATOM 0 H ARG A 32 9.303 1.481 -2.263 1.00 0.00 H new ATOM 0 HA ARG A 32 10.660 0.787 -4.801 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.577 1.181 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.471 0.096 -2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.831 2.889 -3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.151 2.633 -2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.957 0.938 -5.317 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.594 2.567 -5.421 1.00 0.00 H new ATOM 0 HE ARG A 32 14.920 0.242 -4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.647 3.759 -4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.280 3.977 -3.507 1.00 0.00 H new ATOM 0 HH21 ARG A 32 17.014 0.529 -3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.615 2.156 -3.118 1.00 0.00 H new ATOM 471 N ILE A 33 10.446 -1.674 -4.543 1.00 0.00 N ATOM 472 CA ILE A 33 10.174 -3.104 -4.469 1.00 0.00 C ATOM 473 C ILE A 33 11.426 -3.882 -4.079 1.00 0.00 C ATOM 474 O ILE A 33 12.545 -3.469 -4.383 1.00 0.00 O ATOM 475 CB ILE A 33 9.644 -3.646 -5.810 1.00 0.00 C ATOM 476 CG1 ILE A 33 10.703 -3.487 -6.904 1.00 0.00 C ATOM 477 CG2 ILE A 33 8.360 -2.930 -6.200 1.00 0.00 C ATOM 478 CD1 ILE A 33 11.667 -4.650 -6.984 1.00 0.00 C ATOM 0 H ILE A 33 10.844 -1.366 -5.430 1.00 0.00 H new ATOM 0 HA ILE A 33 9.410 -3.241 -3.703 1.00 0.00 H new ATOM 0 HB ILE A 33 9.424 -4.707 -5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.205 -3.371 -7.867 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.265 -2.571 -6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.998 -3.324 -7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.606 -3.090 -5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.555 -1.862 -6.301 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.389 -4.470 -7.780 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.192 -4.753 -6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.115 -5.566 -7.195 1.00 0.00 H new ATOM 490 N GLU A 34 11.229 -5.010 -3.404 1.00 0.00 N ATOM 491 CA GLU A 34 12.343 -5.846 -2.973 1.00 0.00 C ATOM 492 C GLU A 34 12.237 -7.245 -3.573 1.00 0.00 C ATOM 493 O GLU A 34 11.156 -7.833 -3.622 1.00 0.00 O ATOM 494 CB GLU A 34 12.381 -5.936 -1.446 1.00 0.00 C ATOM 495 CG GLU A 34 13.650 -6.573 -0.905 1.00 0.00 C ATOM 496 CD GLU A 34 14.874 -5.704 -1.114 1.00 0.00 C ATOM 497 OE1 GLU A 34 15.043 -4.724 -0.359 1.00 0.00 O ATOM 498 OE2 GLU A 34 15.665 -6.005 -2.033 1.00 0.00 O ATOM 0 H GLU A 34 10.309 -5.366 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 34 13.266 -5.387 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.281 -4.934 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.521 -6.511 -1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.527 -6.771 0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.805 -7.536 -1.392 1.00 0.00 H new ATOM 505 N LYS A 35 13.368 -7.774 -4.029 1.00 0.00 N ATOM 506 CA LYS A 35 13.405 -9.104 -4.626 1.00 0.00 C ATOM 507 C LYS A 35 13.017 -10.169 -3.605 1.00 0.00 C ATOM 508 O LYS A 35 13.450 -10.126 -2.454 1.00 0.00 O ATOM 509 CB LYS A 35 14.801 -9.398 -5.180 1.00 0.00 C ATOM 510 CG LYS A 35 15.136 -8.610 -6.434 1.00 0.00 C ATOM 511 CD LYS A 35 14.428 -9.176 -7.654 1.00 0.00 C ATOM 512 CE LYS A 35 14.612 -8.281 -8.870 1.00 0.00 C ATOM 513 NZ LYS A 35 14.528 -9.050 -10.142 1.00 0.00 N ATOM 0 H LYS A 35 14.271 -7.302 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 35 12.684 -9.129 -5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.542 -9.175 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.879 -10.463 -5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.849 -7.567 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.214 -8.626 -6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.815 -10.171 -7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.365 -9.287 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.850 -7.501 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.579 -7.782 -8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.658 -8.405 -10.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.271 -9.778 -10.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.596 -9.506 -10.211 1.00 0.00 H new ATOM 527 N ASP A 36 12.200 -11.124 -4.036 1.00 0.00 N ATOM 528 CA ASP A 36 11.756 -12.202 -3.160 1.00 0.00 C ATOM 529 C ASP A 36 11.003 -11.648 -1.954 1.00 0.00 C ATOM 530 O ASP A 36 11.210 -12.089 -0.823 1.00 0.00 O ATOM 531 CB ASP A 36 12.951 -13.034 -2.693 1.00 0.00 C ATOM 532 CG ASP A 36 13.631 -13.763 -3.835 1.00 0.00 C ATOM 533 OD1 ASP A 36 12.933 -14.131 -4.804 1.00 0.00 O ATOM 534 OD2 ASP A 36 14.861 -13.966 -3.761 1.00 0.00 O ATOM 0 H ASP A 36 11.832 -11.174 -4.986 1.00 0.00 H new ATOM 0 HA ASP A 36 11.078 -12.841 -3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.673 -12.383 -2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.617 -13.759 -1.951 1.00 0.00 H new ATOM 539 N THR A 37 10.131 -10.676 -2.203 1.00 0.00 N ATOM 540 CA THR A 37 9.349 -10.060 -1.138 1.00 0.00 C ATOM 541 C THR A 37 7.938 -9.732 -1.611 1.00 0.00 C ATOM 542 O THR A 37 7.715 -9.463 -2.791 1.00 0.00 O ATOM 543 CB THR A 37 10.019 -8.771 -0.624 1.00 0.00 C ATOM 544 OG1 THR A 37 11.383 -9.033 -0.277 1.00 0.00 O ATOM 545 CG2 THR A 37 9.279 -8.223 0.587 1.00 0.00 C ATOM 0 H THR A 37 9.949 -10.298 -3.133 1.00 0.00 H new ATOM 0 HA THR A 37 9.297 -10.784 -0.324 1.00 0.00 H new ATOM 0 HB THR A 37 9.983 -8.027 -1.420 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.756 -8.258 0.193 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.770 -7.313 0.932 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.249 -7.997 0.312 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.288 -8.965 1.385 1.00 0.00 H new ATOM 553 N ASP A 38 6.988 -9.756 -0.683 1.00 0.00 N ATOM 554 CA ASP A 38 5.597 -9.459 -1.005 1.00 0.00 C ATOM 555 C ASP A 38 5.244 -8.025 -0.621 1.00 0.00 C ATOM 556 O ASP A 38 5.771 -7.484 0.350 1.00 0.00 O ATOM 557 CB ASP A 38 4.665 -10.436 -0.286 1.00 0.00 C ATOM 558 CG ASP A 38 4.737 -11.836 -0.863 1.00 0.00 C ATOM 559 OD1 ASP A 38 4.392 -12.006 -2.051 1.00 0.00 O ATOM 560 OD2 ASP A 38 5.138 -12.762 -0.127 1.00 0.00 O ATOM 0 H ASP A 38 7.156 -9.978 0.298 1.00 0.00 H new ATOM 0 HA ASP A 38 5.468 -9.570 -2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.924 -10.469 0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.640 -10.071 -0.352 1.00 0.00 H new ATOM 565 N GLY A 39 4.350 -7.414 -1.393 1.00 0.00 N ATOM 566 CA GLY A 39 3.944 -6.048 -1.119 1.00 0.00 C ATOM 567 C GLY A 39 5.048 -5.048 -1.396 1.00 0.00 C ATOM 568 O GLY A 39 6.224 -5.409 -1.448 1.00 0.00 O ATOM 0 H GLY A 39 3.900 -7.841 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.074 -5.802 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.637 -5.966 -0.076 1.00 0.00 H new ATOM 572 N HIS A 40 4.670 -3.786 -1.576 1.00 0.00 N ATOM 573 CA HIS A 40 5.638 -2.730 -1.851 1.00 0.00 C ATOM 574 C HIS A 40 6.156 -2.117 -0.554 1.00 0.00 C ATOM 575 O HIS A 40 5.377 -1.766 0.334 1.00 0.00 O ATOM 576 CB HIS A 40 5.007 -1.646 -2.725 1.00 0.00 C ATOM 577 CG HIS A 40 4.996 -1.984 -4.184 1.00 0.00 C ATOM 578 ND1 HIS A 40 5.904 -1.466 -5.084 1.00 0.00 N ATOM 579 CD2 HIS A 40 4.181 -2.794 -4.899 1.00 0.00 C ATOM 580 CE1 HIS A 40 5.647 -1.941 -6.289 1.00 0.00 C ATOM 581 NE2 HIS A 40 4.607 -2.751 -6.204 1.00 0.00 N ATOM 0 H HIS A 40 3.701 -3.470 -1.536 1.00 0.00 H new ATOM 0 HA HIS A 40 6.479 -3.172 -2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.983 -1.473 -2.393 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.551 -0.712 -2.581 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.350 -3.367 -4.515 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.194 -1.707 -7.190 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.188 -3.262 -6.981 1.00 0.00 H new ATOM 590 N LEU A 41 7.475 -1.991 -0.450 1.00 0.00 N ATOM 591 CA LEU A 41 8.097 -1.420 0.739 1.00 0.00 C ATOM 592 C LEU A 41 8.433 0.052 0.525 1.00 0.00 C ATOM 593 O LEU A 41 8.932 0.437 -0.533 1.00 0.00 O ATOM 594 CB LEU A 41 9.365 -2.197 1.098 1.00 0.00 C ATOM 595 CG LEU A 41 9.170 -3.669 1.464 1.00 0.00 C ATOM 596 CD1 LEU A 41 10.406 -4.478 1.104 1.00 0.00 C ATOM 597 CD2 LEU A 41 8.849 -3.812 2.945 1.00 0.00 C ATOM 0 H LEU A 41 8.134 -2.277 -1.175 1.00 0.00 H new ATOM 0 HA LEU A 41 7.386 -1.495 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.052 -2.141 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.849 -1.696 1.936 1.00 0.00 H new ATOM 0 HG LEU A 41 8.328 -4.057 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.248 -5.523 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.591 -4.402 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.266 -4.090 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.713 -4.866 3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.670 -3.406 3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.933 -3.266 3.173 1.00 0.00 H new ATOM 609 N ILE A 42 8.158 0.869 1.536 1.00 0.00 N ATOM 610 CA ILE A 42 8.434 2.298 1.459 1.00 0.00 C ATOM 611 C ILE A 42 9.826 2.619 1.993 1.00 0.00 C ATOM 612 O ILE A 42 10.273 2.036 2.981 1.00 0.00 O ATOM 613 CB ILE A 42 7.394 3.116 2.248 1.00 0.00 C ATOM 614 CG1 ILE A 42 6.024 3.025 1.573 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.838 4.566 2.365 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.210 1.829 2.015 1.00 0.00 C ATOM 0 H ILE A 42 7.744 0.566 2.418 1.00 0.00 H new ATOM 0 HA ILE A 42 8.378 2.573 0.406 1.00 0.00 H new ATOM 0 HB ILE A 42 7.312 2.700 3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.462 3.935 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.163 2.981 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.093 5.131 2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.795 4.613 2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.945 4.995 1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.252 1.829 1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.751 0.913 1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.040 1.882 3.090 1.00 0.00 H new ATOM 628 N ARG A 43 10.507 3.550 1.333 1.00 0.00 N ATOM 629 CA ARG A 43 11.848 3.949 1.741 1.00 0.00 C ATOM 630 C ARG A 43 12.154 5.374 1.287 1.00 0.00 C ATOM 631 O ARG A 43 11.501 5.903 0.388 1.00 0.00 O ATOM 632 CB ARG A 43 12.887 2.985 1.165 1.00 0.00 C ATOM 633 CG ARG A 43 14.126 2.836 2.033 1.00 0.00 C ATOM 634 CD ARG A 43 15.269 2.188 1.266 1.00 0.00 C ATOM 635 NE ARG A 43 15.041 0.763 1.045 1.00 0.00 N ATOM 636 CZ ARG A 43 15.144 -0.155 1.999 1.00 0.00 C ATOM 637 NH1 ARG A 43 15.470 0.202 3.234 1.00 0.00 N ATOM 638 NH2 ARG A 43 14.921 -1.433 1.720 1.00 0.00 N ATOM 0 H ARG A 43 10.152 4.042 0.513 1.00 0.00 H new ATOM 0 HA ARG A 43 11.894 3.915 2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.427 2.006 1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.186 3.334 0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.438 3.816 2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.887 2.234 2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.391 2.689 0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 43 16.199 2.325 1.817 1.00 0.00 H new ATOM 0 HE ARG A 43 14.789 0.455 0.106 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.642 1.183 3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.549 -0.505 3.965 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.670 -1.712 0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.001 -2.137 2.454 1.00 0.00 H new ATOM 652 N VAL A 44 13.150 5.989 1.916 1.00 0.00 N ATOM 653 CA VAL A 44 13.543 7.351 1.576 1.00 0.00 C ATOM 654 C VAL A 44 12.529 8.362 2.101 1.00 0.00 C ATOM 655 O VAL A 44 12.112 9.269 1.381 1.00 0.00 O ATOM 656 CB VAL A 44 13.689 7.531 0.054 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.414 8.830 -0.264 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.416 6.342 -0.555 1.00 0.00 C ATOM 0 H VAL A 44 13.700 5.566 2.664 1.00 0.00 H new ATOM 0 HA VAL A 44 14.509 7.529 2.049 1.00 0.00 H new ATOM 0 HB VAL A 44 12.693 7.583 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.508 8.939 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.848 9.670 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.407 8.812 0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.511 6.486 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.408 6.256 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.851 5.431 -0.359 1.00 0.00 H new ATOM 668 N ILE A 45 12.138 8.200 3.361 1.00 0.00 N ATOM 669 CA ILE A 45 11.175 9.100 3.983 1.00 0.00 C ATOM 670 C ILE A 45 11.865 10.333 4.556 1.00 0.00 C ATOM 671 O ILE A 45 12.555 10.253 5.572 1.00 0.00 O ATOM 672 CB ILE A 45 10.390 8.395 5.105 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.672 7.160 4.558 1.00 0.00 C ATOM 674 CG2 ILE A 45 9.396 9.356 5.740 1.00 0.00 C ATOM 675 CD1 ILE A 45 9.053 6.295 5.633 1.00 0.00 C ATOM 0 H ILE A 45 12.473 7.454 3.971 1.00 0.00 H new ATOM 0 HA ILE A 45 10.479 9.407 3.202 1.00 0.00 H new ATOM 0 HB ILE A 45 11.093 8.071 5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.892 7.480 3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.381 6.562 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.849 8.843 6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.931 10.207 6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.695 9.707 4.983 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.561 5.438 5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.831 5.945 6.312 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.320 6.877 6.191 1.00 0.00 H new ATOM 687 N GLU A 46 11.671 11.472 3.899 1.00 0.00 N ATOM 688 CA GLU A 46 12.274 12.722 4.345 1.00 0.00 C ATOM 689 C GLU A 46 11.548 13.270 5.570 1.00 0.00 C ATOM 690 O GLU A 46 10.347 13.060 5.737 1.00 0.00 O ATOM 691 CB GLU A 46 12.249 13.757 3.219 1.00 0.00 C ATOM 692 CG GLU A 46 13.381 14.768 3.295 1.00 0.00 C ATOM 693 CD GLU A 46 13.001 16.114 2.711 1.00 0.00 C ATOM 694 OE1 GLU A 46 12.538 16.148 1.552 1.00 0.00 O ATOM 695 OE2 GLU A 46 13.167 17.134 3.412 1.00 0.00 O ATOM 0 H GLU A 46 11.102 11.555 3.057 1.00 0.00 H new ATOM 0 HA GLU A 46 13.309 12.518 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.299 13.240 2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.297 14.287 3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.677 14.898 4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.248 14.377 2.763 1.00 0.00 H new ATOM 702 N GLU A 47 12.286 13.973 6.424 1.00 0.00 N ATOM 703 CA GLU A 47 11.712 14.550 7.634 1.00 0.00 C ATOM 704 C GLU A 47 10.747 15.682 7.292 1.00 0.00 C ATOM 705 O GLU A 47 10.905 16.362 6.279 1.00 0.00 O ATOM 706 CB GLU A 47 12.820 15.069 8.553 1.00 0.00 C ATOM 707 CG GLU A 47 13.436 13.993 9.431 1.00 0.00 C ATOM 708 CD GLU A 47 13.935 12.804 8.633 1.00 0.00 C ATOM 709 OE1 GLU A 47 13.099 11.967 8.232 1.00 0.00 O ATOM 710 OE2 GLU A 47 15.160 12.710 8.410 1.00 0.00 O ATOM 0 H GLU A 47 13.282 14.156 6.300 1.00 0.00 H new ATOM 0 HA GLU A 47 11.157 13.767 8.152 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.603 15.522 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.414 15.856 9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.265 14.420 9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.697 13.654 10.157 1.00 0.00 H new ATOM 717 N GLY A 48 9.747 15.877 8.146 1.00 0.00 N ATOM 718 CA GLY A 48 8.771 16.927 7.918 1.00 0.00 C ATOM 719 C GLY A 48 8.111 16.818 6.558 1.00 0.00 C ATOM 720 O GLY A 48 7.875 17.827 5.892 1.00 0.00 O ATOM 0 H GLY A 48 9.595 15.327 8.991 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.007 16.884 8.694 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.259 17.898 8.005 1.00 0.00 H new ATOM 724 N SER A 49 7.812 15.591 6.142 1.00 0.00 N ATOM 725 CA SER A 49 7.180 15.354 4.850 1.00 0.00 C ATOM 726 C SER A 49 5.718 14.956 5.025 1.00 0.00 C ATOM 727 O SER A 49 5.320 14.389 6.043 1.00 0.00 O ATOM 728 CB SER A 49 7.930 14.262 4.084 1.00 0.00 C ATOM 729 OG SER A 49 7.678 12.984 4.641 1.00 0.00 O ATOM 0 H SER A 49 7.998 14.746 6.682 1.00 0.00 H new ATOM 0 HA SER A 49 7.220 16.281 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.625 14.273 3.038 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.000 14.467 4.106 1.00 0.00 H new ATOM 0 HG SER A 49 8.474 12.673 5.120 1.00 0.00 H new ATOM 735 N PRO A 50 4.897 15.258 4.008 1.00 0.00 N ATOM 736 CA PRO A 50 3.466 14.941 4.025 1.00 0.00 C ATOM 737 C PRO A 50 3.204 13.443 3.919 1.00 0.00 C ATOM 738 O PRO A 50 2.082 12.983 4.132 1.00 0.00 O ATOM 739 CB PRO A 50 2.928 15.666 2.789 1.00 0.00 C ATOM 740 CG PRO A 50 4.099 15.780 1.876 1.00 0.00 C ATOM 741 CD PRO A 50 5.303 15.934 2.764 1.00 0.00 C ATOM 0 HA PRO A 50 2.991 15.248 4.957 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.117 15.106 2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.531 16.648 3.048 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.190 14.896 1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.993 16.637 1.210 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.188 15.472 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.544 16.983 2.937 1.00 0.00 H new ATOM 749 N ALA A 51 4.245 12.686 3.590 1.00 0.00 N ATOM 750 CA ALA A 51 4.127 11.239 3.459 1.00 0.00 C ATOM 751 C ALA A 51 4.183 10.558 4.822 1.00 0.00 C ATOM 752 O ALA A 51 3.425 9.627 5.093 1.00 0.00 O ATOM 753 CB ALA A 51 5.223 10.700 2.552 1.00 0.00 C ATOM 0 H ALA A 51 5.180 13.051 3.409 1.00 0.00 H new ATOM 0 HA ALA A 51 3.158 11.017 3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.123 9.618 2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.135 11.155 1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.198 10.940 2.977 1.00 0.00 H new ATOM 759 N GLU A 52 5.087 11.028 5.677 1.00 0.00 N ATOM 760 CA GLU A 52 5.242 10.461 7.011 1.00 0.00 C ATOM 761 C GLU A 52 4.102 10.903 7.925 1.00 0.00 C ATOM 762 O GLU A 52 3.597 10.120 8.730 1.00 0.00 O ATOM 763 CB GLU A 52 6.585 10.880 7.614 1.00 0.00 C ATOM 764 CG GLU A 52 7.040 9.993 8.761 1.00 0.00 C ATOM 765 CD GLU A 52 8.539 10.044 8.979 1.00 0.00 C ATOM 766 OE1 GLU A 52 9.153 11.077 8.636 1.00 0.00 O ATOM 767 OE2 GLU A 52 9.100 9.052 9.491 1.00 0.00 O ATOM 0 H GLU A 52 5.722 11.799 5.469 1.00 0.00 H new ATOM 0 HA GLU A 52 5.214 9.375 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.345 10.867 6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.510 11.908 7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.533 10.300 9.676 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.741 8.964 8.561 1.00 0.00 H new ATOM 774 N LYS A 53 3.702 12.163 7.796 1.00 0.00 N ATOM 775 CA LYS A 53 2.623 12.711 8.608 1.00 0.00 C ATOM 776 C LYS A 53 1.415 11.780 8.608 1.00 0.00 C ATOM 777 O LYS A 53 0.572 11.840 9.502 1.00 0.00 O ATOM 778 CB LYS A 53 2.215 14.092 8.088 1.00 0.00 C ATOM 779 CG LYS A 53 3.017 15.231 8.694 1.00 0.00 C ATOM 780 CD LYS A 53 2.704 16.555 8.017 1.00 0.00 C ATOM 781 CE LYS A 53 3.648 17.654 8.480 1.00 0.00 C ATOM 782 NZ LYS A 53 3.257 18.196 9.810 1.00 0.00 N ATOM 0 H LYS A 53 4.110 12.825 7.136 1.00 0.00 H new ATOM 0 HA LYS A 53 2.986 12.807 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.332 14.112 7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.157 14.252 8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.798 15.305 9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.082 15.017 8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.781 16.439 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.675 16.842 8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.664 17.262 8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.654 18.460 7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.925 18.942 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.297 18.593 9.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.276 17.432 10.515 1.00 0.00 H new ATOM 796 N ALA A 54 1.339 10.917 7.599 1.00 0.00 N ATOM 797 CA ALA A 54 0.236 9.971 7.485 1.00 0.00 C ATOM 798 C ALA A 54 0.561 8.662 8.196 1.00 0.00 C ATOM 799 O ALA A 54 0.040 7.605 7.841 1.00 0.00 O ATOM 800 CB ALA A 54 -0.088 9.712 6.021 1.00 0.00 C ATOM 0 H ALA A 54 2.028 10.854 6.850 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.638 10.409 7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.914 9.004 5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.371 10.648 5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.788 9.298 5.522 1.00 0.00 H new ATOM 806 N GLY A 55 1.426 8.739 9.203 1.00 0.00 N ATOM 807 CA GLY A 55 1.805 7.552 9.948 1.00 0.00 C ATOM 808 C GLY A 55 2.570 6.556 9.100 1.00 0.00 C ATOM 809 O GLY A 55 2.733 5.397 9.485 1.00 0.00 O ATOM 0 H GLY A 55 1.871 9.602 9.516 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.416 7.843 10.802 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.909 7.074 10.345 1.00 0.00 H new ATOM 813 N LEU A 56 3.039 7.004 7.941 1.00 0.00 N ATOM 814 CA LEU A 56 3.790 6.143 7.034 1.00 0.00 C ATOM 815 C LEU A 56 5.207 5.914 7.549 1.00 0.00 C ATOM 816 O LEU A 56 5.990 6.856 7.682 1.00 0.00 O ATOM 817 CB LEU A 56 3.836 6.759 5.635 1.00 0.00 C ATOM 818 CG LEU A 56 3.945 5.774 4.471 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.650 4.993 4.309 1.00 0.00 C ATOM 820 CD2 LEU A 56 4.293 6.506 3.183 1.00 0.00 C ATOM 0 H LEU A 56 2.912 7.959 7.607 1.00 0.00 H new ATOM 0 HA LEU A 56 3.282 5.180 6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.937 7.359 5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.685 7.441 5.588 1.00 0.00 H new ATOM 0 HG LEU A 56 4.746 5.068 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.747 4.297 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.443 4.437 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.831 5.684 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.366 5.789 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.515 7.235 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.247 7.019 3.302 1.00 0.00 H new ATOM 832 N LEU A 57 5.532 4.658 7.834 1.00 0.00 N ATOM 833 CA LEU A 57 6.857 4.305 8.332 1.00 0.00 C ATOM 834 C LEU A 57 7.688 3.637 7.241 1.00 0.00 C ATOM 835 O LEU A 57 7.172 3.289 6.179 1.00 0.00 O ATOM 836 CB LEU A 57 6.738 3.374 9.540 1.00 0.00 C ATOM 837 CG LEU A 57 6.630 4.055 10.905 1.00 0.00 C ATOM 838 CD1 LEU A 57 7.881 4.870 11.195 1.00 0.00 C ATOM 839 CD2 LEU A 57 5.391 4.936 10.964 1.00 0.00 C ATOM 0 H LEU A 57 4.897 3.867 7.729 1.00 0.00 H new ATOM 0 HA LEU A 57 7.360 5.223 8.636 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.861 2.742 9.401 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.606 2.715 9.553 1.00 0.00 H new ATOM 0 HG LEU A 57 6.539 3.283 11.669 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.786 5.347 12.170 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.751 4.213 11.195 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.003 5.634 10.427 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.330 5.413 11.942 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.452 5.701 10.190 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.503 4.326 10.802 1.00 0.00 H new ATOM 851 N ASP A 58 8.977 3.461 7.511 1.00 0.00 N ATOM 852 CA ASP A 58 9.880 2.833 6.554 1.00 0.00 C ATOM 853 C ASP A 58 9.804 1.312 6.653 1.00 0.00 C ATOM 854 O ASP A 58 10.254 0.721 7.634 1.00 0.00 O ATOM 855 CB ASP A 58 11.316 3.301 6.792 1.00 0.00 C ATOM 856 CG ASP A 58 12.173 3.198 5.545 1.00 0.00 C ATOM 857 OD1 ASP A 58 12.265 2.089 4.979 1.00 0.00 O ATOM 858 OD2 ASP A 58 12.752 4.226 5.136 1.00 0.00 O ATOM 0 H ASP A 58 9.420 3.745 8.385 1.00 0.00 H new ATOM 0 HA ASP A 58 9.571 3.130 5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.306 4.335 7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.763 2.704 7.587 1.00 0.00 H new ATOM 863 N GLY A 59 9.230 0.685 5.631 1.00 0.00 N ATOM 864 CA GLY A 59 9.105 -0.761 5.624 1.00 0.00 C ATOM 865 C GLY A 59 7.659 -1.217 5.616 1.00 0.00 C ATOM 866 O GLY A 59 7.365 -2.374 5.918 1.00 0.00 O ATOM 0 H GLY A 59 8.849 1.152 4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.614 -1.163 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.607 -1.170 6.500 1.00 0.00 H new ATOM 870 N ASP A 60 6.755 -0.307 5.270 1.00 0.00 N ATOM 871 CA ASP A 60 5.332 -0.622 5.225 1.00 0.00 C ATOM 872 C ASP A 60 4.977 -1.345 3.929 1.00 0.00 C ATOM 873 O ASP A 60 5.648 -1.180 2.911 1.00 0.00 O ATOM 874 CB ASP A 60 4.501 0.655 5.356 1.00 0.00 C ATOM 875 CG ASP A 60 4.450 1.169 6.781 1.00 0.00 C ATOM 876 OD1 ASP A 60 5.421 0.937 7.530 1.00 0.00 O ATOM 877 OD2 ASP A 60 3.438 1.803 7.148 1.00 0.00 O ATOM 0 H ASP A 60 6.982 0.655 5.017 1.00 0.00 H new ATOM 0 HA ASP A 60 5.104 -1.282 6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.921 1.426 4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.487 0.463 5.006 1.00 0.00 H new ATOM 882 N ARG A 61 3.917 -2.146 3.976 1.00 0.00 N ATOM 883 CA ARG A 61 3.474 -2.895 2.806 1.00 0.00 C ATOM 884 C ARG A 61 2.091 -2.433 2.356 1.00 0.00 C ATOM 885 O ARG A 61 1.097 -2.648 3.050 1.00 0.00 O ATOM 886 CB ARG A 61 3.448 -4.394 3.115 1.00 0.00 C ATOM 887 CG ARG A 61 4.800 -5.071 2.962 1.00 0.00 C ATOM 888 CD ARG A 61 5.660 -4.882 4.202 1.00 0.00 C ATOM 889 NE ARG A 61 6.728 -5.875 4.283 1.00 0.00 N ATOM 890 CZ ARG A 61 6.541 -7.125 4.691 1.00 0.00 C ATOM 891 NH1 ARG A 61 5.332 -7.533 5.052 1.00 0.00 N ATOM 892 NH2 ARG A 61 7.563 -7.970 4.737 1.00 0.00 N ATOM 0 H ARG A 61 3.350 -2.293 4.811 1.00 0.00 H new ATOM 0 HA ARG A 61 4.180 -2.709 1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.091 -4.540 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.731 -4.880 2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.656 -6.135 2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.317 -4.663 2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.094 -3.882 4.193 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.034 -4.950 5.092 1.00 0.00 H new ATOM 0 HE ARG A 61 7.670 -5.593 4.011 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.544 -6.886 5.017 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.190 -8.493 5.365 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.494 -7.660 4.459 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.418 -8.930 5.051 1.00 0.00 H new ATOM 906 N VAL A 62 2.036 -1.797 1.191 1.00 0.00 N ATOM 907 CA VAL A 62 0.776 -1.304 0.648 1.00 0.00 C ATOM 908 C VAL A 62 0.029 -2.407 -0.095 1.00 0.00 C ATOM 909 O VAL A 62 0.552 -2.998 -1.041 1.00 0.00 O ATOM 910 CB VAL A 62 1.002 -0.119 -0.309 1.00 0.00 C ATOM 911 CG1 VAL A 62 2.007 -0.488 -1.389 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.316 0.327 -0.925 1.00 0.00 C ATOM 0 H VAL A 62 2.850 -1.611 0.605 1.00 0.00 H new ATOM 0 HA VAL A 62 0.177 -0.969 1.494 1.00 0.00 H new ATOM 0 HB VAL A 62 1.410 0.714 0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.153 0.362 -2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.957 -0.754 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.632 -1.337 -1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.138 1.165 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.755 -0.500 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.001 0.636 -0.135 1.00 0.00 H new ATOM 922 N LEU A 63 -1.196 -2.680 0.339 1.00 0.00 N ATOM 923 CA LEU A 63 -2.016 -3.713 -0.285 1.00 0.00 C ATOM 924 C LEU A 63 -2.698 -3.181 -1.542 1.00 0.00 C ATOM 925 O LEU A 63 -2.549 -3.745 -2.626 1.00 0.00 O ATOM 926 CB LEU A 63 -3.068 -4.222 0.702 1.00 0.00 C ATOM 927 CG LEU A 63 -2.532 -4.909 1.959 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.486 -4.708 3.126 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.306 -6.392 1.701 1.00 0.00 C ATOM 0 H LEU A 63 -1.644 -2.201 1.120 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.363 -4.538 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.687 -3.379 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.719 -4.922 0.179 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.575 -4.456 2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.088 -5.204 4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.597 -3.642 3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.458 -5.134 2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.925 -6.865 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.249 -6.860 1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.583 -6.515 0.895 1.00 0.00 H new ATOM 941 N ARG A 64 -3.443 -2.091 -1.389 1.00 0.00 N ATOM 942 CA ARG A 64 -4.147 -1.483 -2.511 1.00 0.00 C ATOM 943 C ARG A 64 -3.793 -0.004 -2.637 1.00 0.00 C ATOM 944 O ARG A 64 -3.677 0.704 -1.636 1.00 0.00 O ATOM 945 CB ARG A 64 -5.658 -1.644 -2.342 1.00 0.00 C ATOM 946 CG ARG A 64 -6.103 -3.090 -2.189 1.00 0.00 C ATOM 947 CD ARG A 64 -7.546 -3.182 -1.718 1.00 0.00 C ATOM 948 NE ARG A 64 -8.175 -4.437 -2.121 1.00 0.00 N ATOM 949 CZ ARG A 64 -8.629 -4.670 -3.347 1.00 0.00 C ATOM 950 NH1 ARG A 64 -8.524 -3.739 -4.285 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.189 -5.838 -3.637 1.00 0.00 N ATOM 0 H ARG A 64 -3.574 -1.611 -0.499 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.835 -1.993 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.979 -1.079 -1.467 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.160 -1.207 -3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.997 -3.607 -3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.453 -3.598 -1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.579 -3.092 -0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.114 -2.345 -2.124 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.271 -5.175 -1.423 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.093 -2.841 -4.066 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.874 -3.921 -5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.271 -6.557 -2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.538 -6.017 -4.579 1.00 0.00 H new ATOM 965 N ILE A 65 -3.623 0.456 -3.872 1.00 0.00 N ATOM 966 CA ILE A 65 -3.284 1.850 -4.128 1.00 0.00 C ATOM 967 C ILE A 65 -4.487 2.620 -4.662 1.00 0.00 C ATOM 968 O ILE A 65 -5.087 2.235 -5.665 1.00 0.00 O ATOM 969 CB ILE A 65 -2.124 1.971 -5.134 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.326 3.251 -4.873 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.654 1.952 -6.559 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.011 4.502 -5.376 1.00 0.00 C ATOM 0 H ILE A 65 -3.715 -0.117 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.975 2.280 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.459 1.117 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.150 3.348 -3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.349 3.164 -5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.822 2.038 -7.258 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.183 1.016 -6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.338 2.788 -6.704 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.389 5.370 -5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.162 4.426 -6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.976 4.613 -4.881 1.00 0.00 H new ATOM 984 N ASN A 66 -4.833 3.710 -3.986 1.00 0.00 N ATOM 985 CA ASN A 66 -5.964 4.536 -4.393 1.00 0.00 C ATOM 986 C ASN A 66 -7.210 3.682 -4.610 1.00 0.00 C ATOM 987 O ASN A 66 -8.101 4.049 -5.375 1.00 0.00 O ATOM 988 CB ASN A 66 -5.628 5.302 -5.673 1.00 0.00 C ATOM 989 CG ASN A 66 -6.398 6.604 -5.787 1.00 0.00 C ATOM 990 OD1 ASN A 66 -7.323 6.722 -6.590 1.00 0.00 O ATOM 991 ND2 ASN A 66 -6.017 7.588 -4.981 1.00 0.00 N ATOM 0 H ASN A 66 -4.346 4.042 -3.153 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.168 5.249 -3.594 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.559 5.512 -5.697 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.849 4.675 -6.537 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.497 8.487 -5.012 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.244 7.444 -4.331 1.00 0.00 H new ATOM 998 N GLY A 67 -7.265 2.541 -3.929 1.00 0.00 N ATOM 999 CA GLY A 67 -8.406 1.654 -4.060 1.00 0.00 C ATOM 1000 C GLY A 67 -8.242 0.662 -5.195 1.00 0.00 C ATOM 1001 O GLY A 67 -9.193 0.377 -5.923 1.00 0.00 O ATOM 0 H GLY A 67 -6.540 2.216 -3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.550 1.112 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.306 2.246 -4.226 1.00 0.00 H new ATOM 1005 N VAL A 68 -7.030 0.136 -5.349 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.744 -0.829 -6.404 1.00 0.00 C ATOM 1007 C VAL A 68 -5.719 -1.859 -5.943 1.00 0.00 C ATOM 1008 O VAL A 68 -4.677 -1.509 -5.388 1.00 0.00 O ATOM 1009 CB VAL A 68 -6.221 -0.132 -7.674 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.787 -1.161 -8.707 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -7.280 0.797 -8.247 1.00 0.00 C ATOM 0 H VAL A 68 -6.231 0.362 -4.756 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.682 -1.333 -6.636 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.351 0.468 -7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.420 -0.650 -9.597 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.993 -1.781 -8.291 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.637 -1.790 -8.973 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.893 1.281 -9.144 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.170 0.221 -8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.537 1.556 -7.508 1.00 0.00 H new ATOM 1021 N PHE A 69 -6.021 -3.132 -6.177 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.126 -4.214 -5.785 1.00 0.00 C ATOM 1023 C PHE A 69 -3.814 -4.143 -6.561 1.00 0.00 C ATOM 1024 O PHE A 69 -3.802 -4.217 -7.790 1.00 0.00 O ATOM 1025 CB PHE A 69 -5.797 -5.569 -6.020 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.283 -6.657 -5.121 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -5.316 -6.509 -3.744 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.766 -7.827 -5.653 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -4.842 -7.508 -2.915 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -4.291 -8.830 -4.829 1.00 0.00 C ATOM 1031 CZ PHE A 69 -4.330 -8.670 -3.458 1.00 0.00 C ATOM 0 H PHE A 69 -6.878 -3.439 -6.636 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.906 -4.104 -4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.872 -5.464 -5.872 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.646 -5.865 -7.058 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.717 -5.603 -3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.734 -7.957 -6.725 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.872 -7.380 -1.843 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.890 -9.737 -5.257 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.961 -9.452 -2.811 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.711 -3.997 -5.834 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.393 -3.916 -6.453 1.00 0.00 C ATOM 1043 C VAL A 70 -0.394 -4.818 -5.737 1.00 0.00 C ATOM 1044 O VAL A 70 0.768 -4.453 -5.555 1.00 0.00 O ATOM 1045 CB VAL A 70 -0.859 -2.471 -6.448 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.776 -1.560 -7.250 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.706 -1.965 -5.021 1.00 0.00 C ATOM 0 H VAL A 70 -2.704 -3.932 -4.816 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.506 -4.250 -7.484 1.00 0.00 H new ATOM 0 HB VAL A 70 0.124 -2.463 -6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.383 -0.544 -7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.830 -1.913 -8.280 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.773 -1.570 -6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.328 -0.943 -5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.675 -1.986 -4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.006 -2.603 -4.482 1.00 0.00 H new ATOM 1057 N ASP A 71 -0.853 -5.998 -5.334 1.00 0.00 N ATOM 1058 CA ASP A 71 0.001 -6.954 -4.640 1.00 0.00 C ATOM 1059 C ASP A 71 0.998 -7.592 -5.602 1.00 0.00 C ATOM 1060 O ASP A 71 2.200 -7.623 -5.339 1.00 0.00 O ATOM 1061 CB ASP A 71 -0.847 -8.037 -3.972 1.00 0.00 C ATOM 1062 CG ASP A 71 -1.309 -7.639 -2.584 1.00 0.00 C ATOM 1063 OD1 ASP A 71 -1.682 -6.461 -2.398 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -1.296 -8.504 -1.684 1.00 0.00 O ATOM 0 H ASP A 71 -1.812 -6.315 -5.476 1.00 0.00 H new ATOM 0 HA ASP A 71 0.558 -6.415 -3.873 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.717 -8.248 -4.594 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.269 -8.959 -3.909 1.00 0.00 H new ATOM 1069 N LYS A 72 0.490 -8.101 -6.720 1.00 0.00 N ATOM 1070 CA LYS A 72 1.334 -8.739 -7.723 1.00 0.00 C ATOM 1071 C LYS A 72 1.543 -7.820 -8.922 1.00 0.00 C ATOM 1072 O LYS A 72 2.009 -8.255 -9.974 1.00 0.00 O ATOM 1073 CB LYS A 72 0.709 -10.058 -8.181 1.00 0.00 C ATOM 1074 CG LYS A 72 0.724 -11.141 -7.117 1.00 0.00 C ATOM 1075 CD LYS A 72 2.088 -11.804 -7.014 1.00 0.00 C ATOM 1076 CE LYS A 72 2.978 -11.093 -6.006 1.00 0.00 C ATOM 1077 NZ LYS A 72 3.940 -12.029 -5.360 1.00 0.00 N ATOM 0 H LYS A 72 -0.503 -8.084 -6.954 1.00 0.00 H new ATOM 0 HA LYS A 72 2.304 -8.942 -7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.321 -9.875 -8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.243 -10.417 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.455 -10.709 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.030 -11.893 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.966 -12.847 -6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.570 -11.802 -7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.527 -10.295 -6.505 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.359 -10.624 -5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.529 -11.507 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.416 -12.777 -4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.548 -12.458 -6.087 1.00 0.00 H new ATOM 1091 N GLU A 73 1.197 -6.547 -8.754 1.00 0.00 N ATOM 1092 CA GLU A 73 1.348 -5.568 -9.824 1.00 0.00 C ATOM 1093 C GLU A 73 2.800 -5.116 -9.946 1.00 0.00 C ATOM 1094 O GLU A 73 3.569 -5.197 -8.989 1.00 0.00 O ATOM 1095 CB GLU A 73 0.446 -4.358 -9.569 1.00 0.00 C ATOM 1096 CG GLU A 73 -0.989 -4.562 -10.023 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.724 -3.254 -10.242 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.189 -2.386 -10.964 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -2.834 -3.098 -9.692 1.00 0.00 O ATOM 0 H GLU A 73 0.811 -6.170 -7.888 1.00 0.00 H new ATOM 0 HA GLU A 73 1.053 -6.042 -10.760 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.452 -4.129 -8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.861 -3.491 -10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.995 -5.137 -10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.521 -5.153 -9.278 1.00 0.00 H new ATOM 1106 N GLU A 74 3.168 -4.640 -11.132 1.00 0.00 N ATOM 1107 CA GLU A 74 4.528 -4.177 -11.381 1.00 0.00 C ATOM 1108 C GLU A 74 4.729 -2.765 -10.839 1.00 0.00 C ATOM 1109 O GLU A 74 3.773 -2.003 -10.689 1.00 0.00 O ATOM 1110 CB GLU A 74 4.835 -4.209 -12.879 1.00 0.00 C ATOM 1111 CG GLU A 74 5.425 -5.527 -13.352 1.00 0.00 C ATOM 1112 CD GLU A 74 6.302 -5.368 -14.578 1.00 0.00 C ATOM 1113 OE1 GLU A 74 7.433 -4.859 -14.436 1.00 0.00 O ATOM 1114 OE2 GLU A 74 5.857 -5.752 -15.680 1.00 0.00 O ATOM 0 H GLU A 74 2.543 -4.565 -11.935 1.00 0.00 H new ATOM 0 HA GLU A 74 5.214 -4.848 -10.863 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.918 -4.012 -13.433 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.530 -3.404 -13.116 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.011 -5.968 -12.546 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.616 -6.223 -13.576 1.00 0.00 H new ATOM 1121 N HIS A 75 5.980 -2.422 -10.546 1.00 0.00 N ATOM 1122 CA HIS A 75 6.308 -1.102 -10.020 1.00 0.00 C ATOM 1123 C HIS A 75 5.790 -0.005 -10.946 1.00 0.00 C ATOM 1124 O HIS A 75 5.301 1.027 -10.488 1.00 0.00 O ATOM 1125 CB HIS A 75 7.820 -0.962 -9.841 1.00 0.00 C ATOM 1126 CG HIS A 75 8.263 0.442 -9.565 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.674 1.242 -8.609 1.00 0.00 N ATOM 1128 CD2 HIS A 75 9.245 1.186 -10.125 1.00 0.00 C ATOM 1129 CE1 HIS A 75 8.274 2.419 -8.594 1.00 0.00 C ATOM 1130 NE2 HIS A 75 9.231 2.411 -9.504 1.00 0.00 N ATOM 0 H HIS A 75 6.783 -3.040 -10.664 1.00 0.00 H new ATOM 0 HA HIS A 75 5.824 -0.994 -9.050 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.141 -1.604 -9.021 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.319 -1.321 -10.741 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.915 0.875 -10.913 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.024 3.247 -7.947 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.858 3.188 -9.712 1.00 0.00 H new ATOM 1139 N ALA A 76 5.901 -0.236 -12.250 1.00 0.00 N ATOM 1140 CA ALA A 76 5.443 0.732 -13.239 1.00 0.00 C ATOM 1141 C ALA A 76 3.920 0.778 -13.296 1.00 0.00 C ATOM 1142 O ALA A 76 3.338 1.742 -13.794 1.00 0.00 O ATOM 1143 CB ALA A 76 6.014 0.397 -14.609 1.00 0.00 C ATOM 0 H ALA A 76 6.304 -1.085 -12.646 1.00 0.00 H new ATOM 0 HA ALA A 76 5.800 1.717 -12.940 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.664 1.128 -15.338 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.103 0.421 -14.565 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.685 -0.599 -14.907 1.00 0.00 H new ATOM 1149 N GLN A 77 3.280 -0.269 -12.785 1.00 0.00 N ATOM 1150 CA GLN A 77 1.824 -0.346 -12.780 1.00 0.00 C ATOM 1151 C GLN A 77 1.246 0.350 -11.553 1.00 0.00 C ATOM 1152 O GLN A 77 0.160 0.927 -11.607 1.00 0.00 O ATOM 1153 CB GLN A 77 1.370 -1.806 -12.814 1.00 0.00 C ATOM 1154 CG GLN A 77 1.394 -2.419 -14.205 1.00 0.00 C ATOM 1155 CD GLN A 77 0.117 -2.157 -14.980 1.00 0.00 C ATOM 1156 OE1 GLN A 77 -0.926 -2.748 -14.698 1.00 0.00 O ATOM 1157 NE2 GLN A 77 0.192 -1.267 -15.963 1.00 0.00 N ATOM 0 H GLN A 77 3.747 -1.075 -12.369 1.00 0.00 H new ATOM 0 HA GLN A 77 1.455 0.163 -13.671 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.012 -2.393 -12.157 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.358 -1.872 -12.414 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.241 -2.017 -14.761 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.550 -3.495 -14.121 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.077 -0.801 -16.162 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.635 -1.050 -16.519 1.00 0.00 H new ATOM 1166 N VAL A 78 1.979 0.293 -10.445 1.00 0.00 N ATOM 1167 CA VAL A 78 1.540 0.918 -9.204 1.00 0.00 C ATOM 1168 C VAL A 78 1.786 2.422 -9.230 1.00 0.00 C ATOM 1169 O VAL A 78 0.885 3.215 -8.955 1.00 0.00 O ATOM 1170 CB VAL A 78 2.259 0.312 -7.984 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.671 0.857 -6.692 1.00 0.00 C ATOM 1172 CG2 VAL A 78 2.177 -1.207 -8.019 1.00 0.00 C ATOM 0 H VAL A 78 2.880 -0.180 -10.382 1.00 0.00 H new ATOM 0 HA VAL A 78 0.470 0.729 -9.116 1.00 0.00 H new ATOM 0 HB VAL A 78 3.310 0.597 -8.024 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.192 0.417 -5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.787 1.941 -6.668 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.612 0.604 -6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.690 -1.619 -7.150 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.132 -1.515 -8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.651 -1.576 -8.929 1.00 0.00 H new ATOM 1182 N VAL A 79 3.013 2.810 -9.562 1.00 0.00 N ATOM 1183 CA VAL A 79 3.379 4.220 -9.625 1.00 0.00 C ATOM 1184 C VAL A 79 2.383 5.009 -10.467 1.00 0.00 C ATOM 1185 O VAL A 79 2.008 6.127 -10.117 1.00 0.00 O ATOM 1186 CB VAL A 79 4.791 4.408 -10.210 1.00 0.00 C ATOM 1187 CG1 VAL A 79 4.798 4.102 -11.700 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.293 5.820 -9.945 1.00 0.00 C ATOM 0 H VAL A 79 3.771 2.167 -9.792 1.00 0.00 H new ATOM 0 HA VAL A 79 3.365 4.597 -8.602 1.00 0.00 H new ATOM 0 HB VAL A 79 5.466 3.708 -9.717 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.804 4.241 -12.095 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.484 3.071 -11.861 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.111 4.775 -12.213 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.292 5.936 -10.365 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.618 6.539 -10.410 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.328 5.998 -8.870 1.00 0.00 H new ATOM 1198 N GLU A 80 1.957 4.417 -11.579 1.00 0.00 N ATOM 1199 CA GLU A 80 1.004 5.066 -12.472 1.00 0.00 C ATOM 1200 C GLU A 80 -0.266 5.455 -11.722 1.00 0.00 C ATOM 1201 O GLU A 80 -0.828 6.529 -11.945 1.00 0.00 O ATOM 1202 CB GLU A 80 0.656 4.141 -13.641 1.00 0.00 C ATOM 1203 CG GLU A 80 -0.052 4.847 -14.785 1.00 0.00 C ATOM 1204 CD GLU A 80 -0.755 3.882 -15.720 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -1.926 3.543 -15.452 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -0.133 3.467 -16.720 1.00 0.00 O ATOM 0 H GLU A 80 2.256 3.490 -11.882 1.00 0.00 H new ATOM 0 HA GLU A 80 1.468 5.973 -12.860 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.572 3.685 -14.018 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.023 3.332 -13.277 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.780 5.549 -14.379 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.673 5.432 -15.351 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.713 4.577 -10.832 1.00 0.00 N ATOM 1214 CA LEU A 81 -1.918 4.827 -10.048 1.00 0.00 C ATOM 1215 C LEU A 81 -1.751 6.066 -9.174 1.00 0.00 C ATOM 1216 O LEU A 81 -2.493 7.039 -9.309 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.243 3.614 -9.175 1.00 0.00 C ATOM 1218 CG LEU A 81 -3.124 2.542 -9.817 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -4.437 3.145 -10.292 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -2.394 1.872 -10.971 1.00 0.00 C ATOM 0 H LEU A 81 -0.259 3.685 -10.635 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.742 5.001 -10.740 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.305 3.150 -8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.735 3.965 -8.268 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.346 1.784 -9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.051 2.367 -10.746 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.967 3.577 -9.443 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.235 3.924 -11.028 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.036 1.112 -11.416 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.141 2.619 -11.724 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.481 1.405 -10.602 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.769 6.025 -8.279 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.501 7.146 -7.385 1.00 0.00 C ATOM 1234 C VAL A 82 -0.663 8.477 -8.110 1.00 0.00 C ATOM 1235 O VAL A 82 -1.359 9.375 -7.634 1.00 0.00 O ATOM 1236 CB VAL A 82 0.918 7.065 -6.793 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.237 8.321 -5.997 1.00 0.00 C ATOM 1238 CG2 VAL A 82 1.064 5.823 -5.927 1.00 0.00 C ATOM 0 H VAL A 82 -0.146 5.227 -8.154 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.228 7.086 -6.575 1.00 0.00 H new ATOM 0 HB VAL A 82 1.632 6.993 -7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.244 8.246 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.176 9.191 -6.651 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.520 8.428 -5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.073 5.782 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.342 5.861 -5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.882 4.934 -6.531 1.00 0.00 H new ATOM 1248 N ARG A 83 -0.017 8.598 -9.265 1.00 0.00 N ATOM 1249 CA ARG A 83 -0.088 9.821 -10.056 1.00 0.00 C ATOM 1250 C ARG A 83 -1.527 10.119 -10.468 1.00 0.00 C ATOM 1251 O ARG A 83 -2.073 11.172 -10.140 1.00 0.00 O ATOM 1252 CB ARG A 83 0.796 9.702 -11.299 1.00 0.00 C ATOM 1253 CG ARG A 83 2.283 9.656 -10.987 1.00 0.00 C ATOM 1254 CD ARG A 83 3.102 9.336 -12.227 1.00 0.00 C ATOM 1255 NE ARG A 83 4.436 8.845 -11.890 1.00 0.00 N ATOM 1256 CZ ARG A 83 5.284 8.350 -12.785 1.00 0.00 C ATOM 1257 NH1 ARG A 83 4.940 8.282 -14.063 1.00 0.00 N ATOM 1258 NH2 ARG A 83 6.480 7.923 -12.400 1.00 0.00 N ATOM 0 H ARG A 83 0.561 7.864 -9.674 1.00 0.00 H new ATOM 0 HA ARG A 83 0.273 10.644 -9.440 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.520 8.800 -11.846 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.598 10.547 -11.958 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.600 10.615 -10.578 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.472 8.904 -10.221 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.580 8.587 -12.823 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.190 10.230 -12.844 1.00 0.00 H new ATOM 0 HE ARG A 83 4.732 8.884 -10.915 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.022 8.610 -14.362 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.593 7.901 -14.747 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.748 7.975 -11.417 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.131 7.543 -13.087 1.00 0.00 H new ATOM 1272 N LYS A 84 -2.135 9.184 -11.190 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.510 9.344 -11.648 1.00 0.00 C ATOM 1274 C LYS A 84 -4.410 9.818 -10.511 1.00 0.00 C ATOM 1275 O LYS A 84 -5.257 10.691 -10.700 1.00 0.00 O ATOM 1276 CB LYS A 84 -4.038 8.023 -12.213 1.00 0.00 C ATOM 1277 CG LYS A 84 -3.375 7.611 -13.516 1.00 0.00 C ATOM 1278 CD LYS A 84 -3.883 6.263 -13.999 1.00 0.00 C ATOM 1279 CE LYS A 84 -3.836 6.160 -15.515 1.00 0.00 C ATOM 1280 NZ LYS A 84 -4.830 7.060 -16.163 1.00 0.00 N ATOM 0 H LYS A 84 -1.697 8.307 -11.471 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.519 10.098 -12.435 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.888 7.236 -11.474 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.113 8.110 -12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.567 8.367 -14.278 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.295 7.565 -13.377 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.280 5.468 -13.560 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.906 6.114 -13.655 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.835 6.412 -15.865 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.029 5.130 -15.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.051 6.705 -17.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.699 7.085 -15.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.435 8.019 -16.234 1.00 0.00 H new ATOM 1294 N SER A 85 -4.220 9.238 -9.330 1.00 0.00 N ATOM 1295 CA SER A 85 -5.016 9.600 -8.164 1.00 0.00 C ATOM 1296 C SER A 85 -5.328 11.093 -8.161 1.00 0.00 C ATOM 1297 O SER A 85 -6.489 11.496 -8.217 1.00 0.00 O ATOM 1298 CB SER A 85 -4.279 9.219 -6.878 1.00 0.00 C ATOM 1299 OG SER A 85 -3.949 7.841 -6.869 1.00 0.00 O ATOM 0 H SER A 85 -3.521 8.515 -9.156 1.00 0.00 H new ATOM 0 HA SER A 85 -5.956 9.050 -8.212 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.371 9.814 -6.786 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.902 9.453 -6.015 1.00 0.00 H new ATOM 0 HG SER A 85 -3.336 7.647 -7.609 1.00 0.00 H new ATOM 1305 N GLY A 86 -4.281 11.910 -8.095 1.00 0.00 N ATOM 1306 CA GLY A 86 -4.463 13.350 -8.086 1.00 0.00 C ATOM 1307 C GLY A 86 -3.743 14.018 -6.931 1.00 0.00 C ATOM 1308 O GLY A 86 -2.760 13.489 -6.415 1.00 0.00 O ATOM 0 H GLY A 86 -3.310 11.600 -8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.099 13.765 -9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.527 13.578 -8.028 1.00 0.00 H new ATOM 1312 N ASN A 87 -4.233 15.185 -6.526 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.628 15.928 -5.427 1.00 0.00 C ATOM 1314 C ASN A 87 -3.463 15.040 -4.197 1.00 0.00 C ATOM 1315 O ASN A 87 -2.397 15.006 -3.582 1.00 0.00 O ATOM 1316 CB ASN A 87 -4.482 17.148 -5.077 1.00 0.00 C ATOM 1317 CG ASN A 87 -4.771 18.017 -6.286 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -5.909 18.095 -6.751 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -3.739 18.675 -6.802 1.00 0.00 N ATOM 0 H ASN A 87 -5.047 15.636 -6.942 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.642 16.263 -5.747 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.423 16.816 -4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.970 17.742 -4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.872 19.275 -7.616 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.813 18.581 -6.384 1.00 0.00 H new ATOM 1326 N SER A 88 -4.524 14.322 -3.845 1.00 0.00 N ATOM 1327 CA SER A 88 -4.498 13.436 -2.687 1.00 0.00 C ATOM 1328 C SER A 88 -4.541 11.974 -3.121 1.00 0.00 C ATOM 1329 O SER A 88 -5.233 11.617 -4.074 1.00 0.00 O ATOM 1330 CB SER A 88 -5.676 13.739 -1.759 1.00 0.00 C ATOM 1331 OG SER A 88 -5.622 12.943 -0.588 1.00 0.00 O ATOM 0 H SER A 88 -5.413 14.336 -4.345 1.00 0.00 H new ATOM 0 HA SER A 88 -3.567 13.610 -2.148 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.665 14.794 -1.486 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.613 13.555 -2.284 1.00 0.00 H new ATOM 0 HG SER A 88 -4.687 12.801 -0.332 1.00 0.00 H new ATOM 1337 N VAL A 89 -3.796 11.131 -2.412 1.00 0.00 N ATOM 1338 CA VAL A 89 -3.748 9.707 -2.722 1.00 0.00 C ATOM 1339 C VAL A 89 -4.044 8.866 -1.485 1.00 0.00 C ATOM 1340 O VAL A 89 -3.759 9.275 -0.359 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.375 9.301 -3.289 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.389 7.846 -3.731 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -1.985 10.214 -4.442 1.00 0.00 C ATOM 0 H VAL A 89 -3.218 11.410 -1.619 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.513 9.521 -3.476 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.629 9.409 -2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.410 7.577 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.621 7.209 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.145 7.708 -4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.012 9.913 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.731 10.140 -5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.932 11.244 -4.089 1.00 0.00 H new ATOM 1353 N THR A 90 -4.617 7.685 -1.702 1.00 0.00 N ATOM 1354 CA THR A 90 -4.951 6.786 -0.606 1.00 0.00 C ATOM 1355 C THR A 90 -4.114 5.513 -0.663 1.00 0.00 C ATOM 1356 O THR A 90 -3.882 4.958 -1.738 1.00 0.00 O ATOM 1357 CB THR A 90 -6.444 6.406 -0.627 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.249 7.587 -0.709 1.00 0.00 O ATOM 1359 CG2 THR A 90 -6.819 5.616 0.618 1.00 0.00 C ATOM 0 H THR A 90 -4.859 7.330 -2.627 1.00 0.00 H new ATOM 0 HA THR A 90 -4.732 7.320 0.318 1.00 0.00 H new ATOM 0 HB THR A 90 -6.625 5.782 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.196 7.337 -0.724 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.878 5.359 0.581 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.225 4.703 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.623 6.219 1.504 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.663 5.055 0.499 1.00 0.00 N ATOM 1368 CA LEU A 91 -2.851 3.846 0.581 1.00 0.00 C ATOM 1369 C LEU A 91 -3.231 3.016 1.803 1.00 0.00 C ATOM 1370 O LEU A 91 -3.543 3.560 2.863 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.365 4.208 0.638 1.00 0.00 C ATOM 1372 CG LEU A 91 -0.890 5.252 -0.372 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.460 5.819 0.041 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -0.812 4.649 -1.767 1.00 0.00 C ATOM 0 H LEU A 91 -3.846 5.502 1.397 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.040 3.251 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.138 4.572 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.784 3.298 0.490 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.614 6.067 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.782 6.561 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.373 6.289 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.193 5.014 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.472 5.407 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.110 3.815 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.798 4.292 -2.065 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.201 1.697 1.649 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.541 0.791 2.741 1.00 0.00 C ATOM 1388 C LEU A 92 -2.324 -0.022 3.172 1.00 0.00 C ATOM 1389 O LEU A 92 -1.874 -0.914 2.453 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.672 -0.148 2.317 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.070 0.468 2.264 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.029 -0.450 1.521 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.582 0.752 3.668 1.00 0.00 C ATOM 0 H LEU A 92 -2.945 1.231 0.779 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.873 1.391 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.435 -0.548 1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.694 -0.992 3.006 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.010 1.413 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.019 0.004 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.671 -0.603 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.085 -1.410 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.578 1.190 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.627 -0.178 4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.908 1.448 4.167 1.00 0.00 H new ATOM 1405 N VAL A 93 -1.797 0.291 4.351 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.635 -0.412 4.880 1.00 0.00 C ATOM 1407 C VAL A 93 -1.040 -1.406 5.963 1.00 0.00 C ATOM 1408 O VAL A 93 -1.819 -1.081 6.860 1.00 0.00 O ATOM 1409 CB VAL A 93 0.399 0.571 5.462 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.903 1.517 4.383 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.200 1.346 6.626 1.00 0.00 C ATOM 0 H VAL A 93 -2.157 1.027 4.958 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.184 -0.951 4.046 1.00 0.00 H new ATOM 0 HB VAL A 93 1.249 -0.001 5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.632 2.204 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.373 0.942 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.066 2.085 3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.544 2.036 7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.068 1.908 6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.506 0.650 7.407 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.506 -2.620 5.873 1.00 0.00 N ATOM 1422 CA LEU A 94 -0.811 -3.663 6.846 1.00 0.00 C ATOM 1423 C LEU A 94 0.423 -4.019 7.668 1.00 0.00 C ATOM 1424 O LEU A 94 1.551 -3.731 7.269 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.341 -4.910 6.136 1.00 0.00 C ATOM 1426 CG LEU A 94 -1.945 -5.989 7.035 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.255 -5.510 7.639 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -2.155 -7.278 6.254 1.00 0.00 C ATOM 0 H LEU A 94 0.140 -2.906 5.137 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.577 -3.283 7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.098 -4.599 5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.524 -5.355 5.567 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.247 -6.190 7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.669 -6.292 8.276 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.075 -4.615 8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.961 -5.280 6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.586 -8.035 6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.832 -7.092 5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.198 -7.632 5.871 1.00 0.00 H new ATOM 1440 N ASP A 95 0.201 -4.647 8.818 1.00 0.00 N ATOM 1441 CA ASP A 95 1.295 -5.045 9.695 1.00 0.00 C ATOM 1442 C ASP A 95 2.115 -6.168 9.067 1.00 0.00 C ATOM 1443 O ASP A 95 1.569 -7.063 8.423 1.00 0.00 O ATOM 1444 CB ASP A 95 0.751 -5.492 11.053 1.00 0.00 C ATOM 1445 CG ASP A 95 1.752 -5.289 12.173 1.00 0.00 C ATOM 1446 OD1 ASP A 95 2.967 -5.407 11.912 1.00 0.00 O ATOM 1447 OD2 ASP A 95 1.319 -5.010 13.311 1.00 0.00 O ATOM 0 H ASP A 95 -0.727 -4.891 9.164 1.00 0.00 H new ATOM 0 HA ASP A 95 1.945 -4.182 9.838 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.159 -4.935 11.278 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.476 -6.545 11.002 1.00 0.00 H new ATOM 1452 N GLY A 96 3.429 -6.113 9.259 1.00 0.00 N ATOM 1453 CA GLY A 96 4.303 -7.129 8.703 1.00 0.00 C ATOM 1454 C GLY A 96 3.920 -8.528 9.146 1.00 0.00 C ATOM 1455 O GLY A 96 3.818 -9.440 8.325 1.00 0.00 O ATOM 0 H GLY A 96 3.904 -5.383 9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.272 -7.074 7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.331 -6.924 9.004 1.00 0.00 H new ATOM 1459 N ASP A 97 3.709 -8.698 10.447 1.00 0.00 N ATOM 1460 CA ASP A 97 3.336 -9.995 10.997 1.00 0.00 C ATOM 1461 C ASP A 97 2.034 -10.494 10.378 1.00 0.00 C ATOM 1462 O ASP A 97 1.971 -11.605 9.851 1.00 0.00 O ATOM 1463 CB ASP A 97 3.190 -9.905 12.517 1.00 0.00 C ATOM 1464 CG ASP A 97 3.303 -11.259 13.191 1.00 0.00 C ATOM 1465 OD1 ASP A 97 4.011 -12.134 12.650 1.00 0.00 O ATOM 1466 OD2 ASP A 97 2.684 -11.443 14.259 1.00 0.00 O ATOM 0 H ASP A 97 3.790 -7.954 11.140 1.00 0.00 H new ATOM 0 HA ASP A 97 4.127 -10.705 10.757 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.957 -9.240 12.914 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.225 -9.460 12.761 1.00 0.00 H new ATOM 1471 N SER A 98 0.996 -9.667 10.447 1.00 0.00 N ATOM 1472 CA SER A 98 -0.306 -10.026 9.898 1.00 0.00 C ATOM 1473 C SER A 98 -0.187 -10.410 8.426 1.00 0.00 C ATOM 1474 O SER A 98 -0.613 -11.492 8.019 1.00 0.00 O ATOM 1475 CB SER A 98 -1.288 -8.863 10.055 1.00 0.00 C ATOM 1476 OG SER A 98 -1.553 -8.601 11.422 1.00 0.00 O ATOM 0 H SER A 98 1.031 -8.743 10.878 1.00 0.00 H new ATOM 0 HA SER A 98 -0.682 -10.887 10.452 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.878 -7.970 9.583 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.219 -9.097 9.539 1.00 0.00 H new ATOM 0 HG SER A 98 -2.182 -7.853 11.496 1.00 0.00 H new ATOM 1482 N TYR A 99 0.395 -9.518 7.633 1.00 0.00 N ATOM 1483 CA TYR A 99 0.568 -9.761 6.206 1.00 0.00 C ATOM 1484 C TYR A 99 1.092 -11.171 5.953 1.00 0.00 C ATOM 1485 O TYR A 99 0.471 -11.957 5.238 1.00 0.00 O ATOM 1486 CB TYR A 99 1.527 -8.733 5.605 1.00 0.00 C ATOM 1487 CG TYR A 99 1.445 -8.636 4.098 1.00 0.00 C ATOM 1488 CD1 TYR A 99 1.890 -9.675 3.290 1.00 0.00 C ATOM 1489 CD2 TYR A 99 0.921 -7.506 3.482 1.00 0.00 C ATOM 1490 CE1 TYR A 99 1.817 -9.591 1.913 1.00 0.00 C ATOM 1491 CE2 TYR A 99 0.844 -7.413 2.106 1.00 0.00 C ATOM 1492 CZ TYR A 99 1.293 -8.458 1.326 1.00 0.00 C ATOM 1493 OH TYR A 99 1.217 -8.371 -0.045 1.00 0.00 O ATOM 0 H TYR A 99 0.755 -8.619 7.954 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.406 -9.663 5.726 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.314 -7.755 6.036 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.547 -8.991 5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.300 -10.564 3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.568 -6.686 4.090 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.168 -10.408 1.300 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.435 -6.527 1.644 1.00 0.00 H new ATOM 0 HH TYR A 99 0.280 -8.428 -0.325 1.00 0.00 H new ATOM 1503 N GLU A 100 2.240 -11.484 6.547 1.00 0.00 N ATOM 1504 CA GLU A 100 2.849 -12.799 6.387 1.00 0.00 C ATOM 1505 C GLU A 100 1.918 -13.895 6.898 1.00 0.00 C ATOM 1506 O GLU A 100 1.685 -14.895 6.219 1.00 0.00 O ATOM 1507 CB GLU A 100 4.185 -12.861 7.130 1.00 0.00 C ATOM 1508 CG GLU A 100 5.181 -11.805 6.682 1.00 0.00 C ATOM 1509 CD GLU A 100 6.377 -11.701 7.608 1.00 0.00 C ATOM 1510 OE1 GLU A 100 6.221 -11.151 8.718 1.00 0.00 O ATOM 1511 OE2 GLU A 100 7.469 -12.169 7.222 1.00 0.00 O ATOM 0 H GLU A 100 2.766 -10.845 7.143 1.00 0.00 H new ATOM 0 HA GLU A 100 3.026 -12.963 5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.002 -12.746 8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.625 -13.848 6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.525 -12.040 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 100 4.681 -10.838 6.631 1.00 0.00 H new ATOM 1518 N LYS A 101 1.388 -13.700 8.101 1.00 0.00 N ATOM 1519 CA LYS A 101 0.483 -14.670 8.705 1.00 0.00 C ATOM 1520 C LYS A 101 -0.620 -15.067 7.729 1.00 0.00 C ATOM 1521 O LYS A 101 -0.897 -16.251 7.539 1.00 0.00 O ATOM 1522 CB LYS A 101 -0.135 -14.095 9.982 1.00 0.00 C ATOM 1523 CG LYS A 101 -0.881 -15.124 10.814 1.00 0.00 C ATOM 1524 CD LYS A 101 -1.513 -14.495 12.044 1.00 0.00 C ATOM 1525 CE LYS A 101 -0.543 -14.465 13.215 1.00 0.00 C ATOM 1526 NZ LYS A 101 -0.980 -13.514 14.274 1.00 0.00 N ATOM 0 H LYS A 101 1.570 -12.878 8.677 1.00 0.00 H new ATOM 0 HA LYS A 101 1.060 -15.560 8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.654 -13.652 10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.820 -13.291 9.714 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.655 -15.593 10.206 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.194 -15.913 11.120 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.835 -13.480 11.810 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.405 -15.056 12.323 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.455 -15.465 13.639 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.447 -14.182 12.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.292 -13.523 15.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.040 -12.555 13.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.914 -13.799 14.632 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.244 -14.069 7.111 1.00 0.00 N ATOM 1541 CA ALA A 102 -2.313 -14.315 6.151 1.00 0.00 C ATOM 1542 C ALA A 102 -1.849 -15.251 5.040 1.00 0.00 C ATOM 1543 O ALA A 102 -2.373 -16.354 4.884 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.809 -13.002 5.565 1.00 0.00 C ATOM 0 H ALA A 102 -1.028 -13.083 7.258 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.136 -14.799 6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.607 -13.201 4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.189 -12.367 6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.987 -12.496 5.059 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.863 -14.803 4.269 1.00 0.00 N ATOM 1551 CA VAL A 103 -0.328 -15.601 3.172 1.00 0.00 C ATOM 1552 C VAL A 103 -0.262 -17.077 3.547 1.00 0.00 C ATOM 1553 O VAL A 103 -0.785 -17.935 2.836 1.00 0.00 O ATOM 1554 CB VAL A 103 1.078 -15.122 2.764 1.00 0.00 C ATOM 1555 CG1 VAL A 103 1.632 -15.988 1.642 1.00 0.00 C ATOM 1556 CG2 VAL A 103 1.043 -13.659 2.351 1.00 0.00 C ATOM 0 H VAL A 103 -0.419 -13.892 4.384 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.006 -15.474 2.328 1.00 0.00 H new ATOM 0 HB VAL A 103 1.740 -15.217 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.626 -15.635 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.695 -17.023 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.973 -15.927 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.045 -13.337 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.368 -13.536 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.691 -13.053 3.186 1.00 0.00 H new ATOM 1566 N LYS A 104 0.385 -17.367 4.671 1.00 0.00 N ATOM 1567 CA LYS A 104 0.520 -18.740 5.144 1.00 0.00 C ATOM 1568 C LYS A 104 -0.827 -19.455 5.131 1.00 0.00 C ATOM 1569 O LYS A 104 -0.958 -20.542 4.570 1.00 0.00 O ATOM 1570 CB LYS A 104 1.105 -18.759 6.558 1.00 0.00 C ATOM 1571 CG LYS A 104 2.561 -18.328 6.620 1.00 0.00 C ATOM 1572 CD LYS A 104 3.500 -19.511 6.452 1.00 0.00 C ATOM 1573 CE LYS A 104 3.834 -19.754 4.988 1.00 0.00 C ATOM 1574 NZ LYS A 104 5.105 -20.513 4.828 1.00 0.00 N ATOM 0 H LYS A 104 0.824 -16.669 5.272 1.00 0.00 H new ATOM 0 HA LYS A 104 1.197 -19.265 4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.513 -18.103 7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.015 -19.766 6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.757 -17.593 5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.757 -17.840 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.418 -19.330 7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.041 -20.405 6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.020 -20.305 4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.914 -18.798 4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.298 -20.658 3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.886 -19.976 5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.020 -21.436 5.300 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.827 -18.836 5.751 1.00 0.00 N ATOM 1589 CA ASN A 105 -3.165 -19.413 5.809 1.00 0.00 C ATOM 1590 C ASN A 105 -3.971 -19.044 4.568 1.00 0.00 C ATOM 1591 O ASN A 105 -5.201 -19.079 4.582 1.00 0.00 O ATOM 1592 CB ASN A 105 -3.895 -18.935 7.066 1.00 0.00 C ATOM 1593 CG ASN A 105 -2.996 -18.925 8.288 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -2.369 -19.931 8.619 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -2.931 -17.784 8.964 1.00 0.00 N ATOM 0 H ASN A 105 -1.736 -17.935 6.220 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.064 -20.498 5.846 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -4.285 -17.931 6.897 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.752 -19.582 7.254 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.343 -17.716 9.795 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -3.469 -16.975 8.652 1.00 0.00 H new ATOM 1602 N GLN A 106 -3.269 -18.690 3.496 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.920 -18.314 2.247 1.00 0.00 C ATOM 1604 C GLN A 106 -5.193 -17.519 2.514 1.00 0.00 C ATOM 1605 O GLN A 106 -6.262 -17.846 1.998 1.00 0.00 O ATOM 1606 CB GLN A 106 -4.247 -19.561 1.422 1.00 0.00 C ATOM 1607 CG GLN A 106 -3.042 -20.149 0.705 1.00 0.00 C ATOM 1608 CD GLN A 106 -3.289 -21.561 0.212 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -3.794 -21.766 -0.892 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -2.932 -22.545 1.029 1.00 0.00 N ATOM 0 H GLN A 106 -2.250 -18.656 3.468 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.232 -17.684 1.684 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.674 -20.319 2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.010 -19.310 0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -2.781 -19.513 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.186 -20.148 1.380 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.517 -22.330 1.935 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.073 -23.516 0.750 1.00 0.00 H new ATOM 1619 N VAL A 107 -5.072 -16.472 3.325 1.00 0.00 N ATOM 1620 CA VAL A 107 -6.213 -15.629 3.660 1.00 0.00 C ATOM 1621 C VAL A 107 -6.439 -14.561 2.597 1.00 0.00 C ATOM 1622 O VAL A 107 -5.499 -13.893 2.163 1.00 0.00 O ATOM 1623 CB VAL A 107 -6.023 -14.945 5.027 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -7.214 -14.057 5.350 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.811 -15.985 6.118 1.00 0.00 C ATOM 0 H VAL A 107 -4.195 -16.188 3.762 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.085 -16.281 3.706 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.134 -14.316 4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.062 -13.582 6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -7.315 -13.290 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -8.121 -14.661 5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.678 -15.484 7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.680 -16.642 6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.923 -16.575 5.891 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.690 -14.403 2.181 1.00 0.00 N ATOM 1636 CA ASP A 108 -8.041 -13.414 1.168 1.00 0.00 C ATOM 1637 C ASP A 108 -7.545 -12.028 1.568 1.00 0.00 C ATOM 1638 O ASP A 108 -7.878 -11.523 2.641 1.00 0.00 O ATOM 1639 CB ASP A 108 -9.555 -13.386 0.954 1.00 0.00 C ATOM 1640 CG ASP A 108 -10.094 -14.712 0.456 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -9.557 -15.762 0.866 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -11.053 -14.700 -0.344 1.00 0.00 O ATOM 0 H ASP A 108 -8.479 -14.947 2.530 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.556 -13.698 0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -10.047 -13.126 1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.803 -12.604 0.237 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.747 -11.417 0.699 1.00 0.00 N ATOM 1648 CA LEU A 109 -6.203 -10.089 0.962 1.00 0.00 C ATOM 1649 C LEU A 109 -7.009 -9.018 0.234 1.00 0.00 C ATOM 1650 O LEU A 109 -7.180 -7.906 0.736 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.737 -10.022 0.531 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.770 -10.923 1.300 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -2.412 -10.955 0.615 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.632 -10.451 2.740 1.00 0.00 C ATOM 0 H LEU A 109 -6.462 -11.820 -0.194 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.268 -9.902 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.678 -10.278 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.397 -8.991 0.629 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.174 -11.935 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.737 -11.601 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.525 -11.340 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.000 -9.946 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.940 -11.104 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.251 -9.430 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.606 -10.481 3.228 1.00 0.00 H new ATOM 1666 N LYS A 110 -7.504 -9.360 -0.951 1.00 0.00 N ATOM 1667 CA LYS A 110 -8.295 -8.429 -1.747 1.00 0.00 C ATOM 1668 C LYS A 110 -9.396 -7.793 -0.906 1.00 0.00 C ATOM 1669 O LYS A 110 -9.789 -6.651 -1.144 1.00 0.00 O ATOM 1670 CB LYS A 110 -8.909 -9.150 -2.950 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.927 -9.383 -4.085 1.00 0.00 C ATOM 1672 CD LYS A 110 -8.554 -10.196 -5.205 1.00 0.00 C ATOM 1673 CE LYS A 110 -9.390 -9.323 -6.128 1.00 0.00 C ATOM 1674 NZ LYS A 110 -10.789 -9.180 -5.639 1.00 0.00 N ATOM 0 H LYS A 110 -7.371 -10.275 -1.381 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.633 -7.640 -2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.308 -10.110 -2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.750 -8.566 -3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.587 -8.424 -4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.047 -9.902 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.771 -10.689 -5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.180 -10.981 -4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.931 -8.338 -6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.397 -9.755 -7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.449 -9.486 -6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.923 -9.769 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.973 -8.185 -5.401 1.00 0.00 H new ATOM 1688 N GLU A 111 -9.889 -8.538 0.078 1.00 0.00 N ATOM 1689 CA GLU A 111 -10.945 -8.045 0.955 1.00 0.00 C ATOM 1690 C GLU A 111 -10.432 -6.912 1.839 1.00 0.00 C ATOM 1691 O GLU A 111 -11.113 -5.903 2.033 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.488 -9.180 1.825 1.00 0.00 C ATOM 1693 CG GLU A 111 -12.094 -10.322 1.027 1.00 0.00 C ATOM 1694 CD GLU A 111 -12.547 -11.472 1.906 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -13.038 -11.206 3.023 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -12.411 -12.636 1.477 1.00 0.00 O ATOM 0 H GLU A 111 -9.574 -9.485 0.288 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.751 -7.659 0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.680 -9.570 2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.244 -8.779 2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.944 -9.950 0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.361 -10.687 0.307 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.229 -7.085 2.374 1.00 0.00 N ATOM 1704 CA LEU A 112 -8.624 -6.078 3.239 1.00 0.00 C ATOM 1705 C LEU A 112 -8.971 -4.671 2.763 1.00 0.00 C ATOM 1706 O LEU A 112 -8.399 -4.174 1.793 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.105 -6.255 3.276 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.600 -7.651 3.643 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -5.103 -7.759 3.401 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -6.933 -7.974 5.093 1.00 0.00 C ATOM 0 H LEU A 112 -8.653 -7.913 2.224 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.024 -6.211 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.705 -5.992 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.694 -5.542 3.991 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.103 -8.378 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.763 -8.759 3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.890 -7.572 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.581 -7.023 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.566 -8.971 5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.458 -7.243 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.013 -7.940 5.235 1.00 0.00 H new ATOM 1722 N ASP A 113 -9.911 -4.034 3.453 1.00 0.00 N ATOM 1723 CA ASP A 113 -10.333 -2.683 3.103 1.00 0.00 C ATOM 1724 C ASP A 113 -10.986 -1.991 4.296 1.00 0.00 C ATOM 1725 O ASP A 113 -12.104 -2.327 4.684 1.00 0.00 O ATOM 1726 CB ASP A 113 -11.307 -2.719 1.924 1.00 0.00 C ATOM 1727 CG ASP A 113 -11.465 -1.364 1.262 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -10.513 -0.920 0.586 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -12.540 -0.748 1.420 1.00 0.00 O ATOM 0 H ASP A 113 -10.395 -4.432 4.258 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.448 -2.116 2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -10.955 -3.441 1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.280 -3.066 2.271 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.278 -1.026 4.873 1.00 0.00 N ATOM 1735 CA GLN A 114 -10.788 -0.289 6.023 1.00 0.00 C ATOM 1736 C GLN A 114 -12.130 0.362 5.701 1.00 0.00 C ATOM 1737 O GLN A 114 -13.132 0.105 6.369 1.00 0.00 O ATOM 1738 CB GLN A 114 -9.782 0.778 6.459 1.00 0.00 C ATOM 1739 CG GLN A 114 -10.309 1.704 7.544 1.00 0.00 C ATOM 1740 CD GLN A 114 -10.887 0.949 8.725 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -11.961 0.355 8.631 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -10.175 0.968 9.846 1.00 0.00 N ATOM 0 H GLN A 114 -9.350 -0.736 4.563 1.00 0.00 H new ATOM 0 HA GLN A 114 -10.934 -0.996 6.840 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -8.878 0.287 6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -9.497 1.373 5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -9.501 2.349 7.890 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -11.076 2.353 7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -9.290 1.473 9.879 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -10.514 0.477 10.674 1.00 0.00 H new