USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 MET CE :methyl 175:sc= -3.27 (180deg=-3.68) USER MOD Single : A 11 SER OG : rot -78:sc= 1.2 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= 1.33 (180deg=1.24) USER MOD Single : A 17 GLN : amide:sc= -0.0696 X(o=-0.07,f=-0.19) USER MOD Single : A 19 SER OG : rot -54:sc= 1.23 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -158:sc= -0.189 (180deg=-0.722) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0408) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -3.2! C(o=-3.2!,f=-7.4!) USER MOD Single : A 39 SER OG : rot -82:sc= 0.949 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -122:sc= -0.473 (180deg=-2.13!) USER MOD Single : A 46 ASN : amide:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -65:sc= 0.216 USER MOD Single : A 60 LYS NZ :NH3+ 154:sc= 0.482 (180deg=0.208) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0684 USER MOD Single : A 63 THR OG1 : rot 164:sc= 0.997 USER MOD Single : A 70 TYR OH : rot 180:sc= 1.12 USER MOD Single : A 72 THR OG1 : rot -0:sc= -0.0469 USER MOD Single : A 73 SER OG : rot -88:sc= 1.25 USER MOD Single : A 74 CYS SG : rot -20:sc= 0.154 USER MOD ----------------------------------------------------------------- ATOM 126 N PRO A 9 -13.019 6.983 -1.695 1.00 0.00 N ATOM 127 CA PRO A 9 -12.738 6.205 -2.900 1.00 0.00 C ATOM 128 C PRO A 9 -11.466 6.684 -3.595 1.00 0.00 C ATOM 129 O PRO A 9 -11.288 7.882 -3.829 1.00 0.00 O ATOM 130 CB PRO A 9 -13.967 6.441 -3.784 1.00 0.00 C ATOM 131 CG PRO A 9 -14.561 7.719 -3.297 1.00 0.00 C ATOM 132 CD PRO A 9 -14.229 7.810 -1.830 1.00 0.00 C ATOM 0 HA PRO A 9 -12.568 5.151 -2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.688 6.512 -4.835 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.677 5.619 -3.698 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.152 8.570 -3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.640 7.730 -3.453 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.046 8.840 -1.524 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.043 7.433 -1.211 1.00 0.00 H new ATOM 140 N MET A 10 -10.578 5.751 -3.909 1.00 0.00 N ATOM 141 CA MET A 10 -9.297 6.083 -4.523 1.00 0.00 C ATOM 142 C MET A 10 -9.395 5.978 -6.044 1.00 0.00 C ATOM 143 O MET A 10 -9.869 4.972 -6.574 1.00 0.00 O ATOM 144 CB MET A 10 -8.200 5.147 -4.007 1.00 0.00 C ATOM 145 CG MET A 10 -6.804 5.550 -4.447 1.00 0.00 C ATOM 146 SD MET A 10 -6.027 6.732 -3.338 1.00 0.00 S ATOM 147 CE MET A 10 -5.926 5.759 -1.848 1.00 0.00 C ATOM 0 H MET A 10 -10.721 4.754 -3.748 1.00 0.00 H new ATOM 0 HA MET A 10 -9.042 7.108 -4.254 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.236 5.123 -2.918 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.404 4.134 -4.355 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.180 4.659 -4.514 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.855 5.979 -5.448 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.385 6.318 -1.084 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.931 5.535 -1.491 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.400 4.828 -2.057 1.00 0.00 H new ATOM 157 N SER A 11 -8.956 7.015 -6.744 1.00 0.00 N ATOM 158 CA SER A 11 -9.030 7.032 -8.199 1.00 0.00 C ATOM 159 C SER A 11 -7.828 6.314 -8.831 1.00 0.00 C ATOM 160 O SER A 11 -6.912 5.895 -8.119 1.00 0.00 O ATOM 161 CB SER A 11 -9.127 8.474 -8.701 1.00 0.00 C ATOM 162 OG SER A 11 -8.078 9.270 -8.176 1.00 0.00 O ATOM 0 H SER A 11 -8.546 7.853 -6.330 1.00 0.00 H new ATOM 0 HA SER A 11 -9.927 6.492 -8.501 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.087 8.486 -9.790 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.089 8.899 -8.413 1.00 0.00 H new ATOM 0 HG SER A 11 -8.287 9.517 -7.251 1.00 0.00 H new ATOM 168 N TYR A 12 -7.829 6.182 -10.158 1.00 0.00 N ATOM 169 CA TYR A 12 -6.785 5.440 -10.866 1.00 0.00 C ATOM 170 C TYR A 12 -5.402 6.058 -10.637 1.00 0.00 C ATOM 171 O TYR A 12 -4.464 5.367 -10.234 1.00 0.00 O ATOM 172 CB TYR A 12 -7.123 5.356 -12.370 1.00 0.00 C ATOM 173 CG TYR A 12 -5.944 5.544 -13.309 1.00 0.00 C ATOM 174 CD1 TYR A 12 -4.980 4.555 -13.472 1.00 0.00 C ATOM 175 CD2 TYR A 12 -5.801 6.720 -14.037 1.00 0.00 C ATOM 176 CE1 TYR A 12 -3.909 4.734 -14.328 1.00 0.00 C ATOM 177 CE2 TYR A 12 -4.735 6.905 -14.894 1.00 0.00 C ATOM 178 CZ TYR A 12 -3.793 5.911 -15.036 1.00 0.00 C ATOM 179 OH TYR A 12 -2.727 6.098 -15.888 1.00 0.00 O ATOM 0 H TYR A 12 -8.544 6.581 -10.766 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.750 4.428 -10.463 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.576 4.385 -12.571 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.874 6.111 -12.600 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.069 3.631 -12.920 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.537 7.503 -13.930 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.168 3.957 -14.441 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.640 7.826 -15.451 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.796 6.980 -16.310 1.00 0.00 H new ATOM 189 N GLU A 13 -5.288 7.360 -10.870 1.00 0.00 N ATOM 190 CA GLU A 13 -4.012 8.051 -10.731 1.00 0.00 C ATOM 191 C GLU A 13 -3.540 8.057 -9.287 1.00 0.00 C ATOM 192 O GLU A 13 -2.338 8.131 -9.017 1.00 0.00 O ATOM 193 CB GLU A 13 -4.121 9.481 -11.261 1.00 0.00 C ATOM 194 CG GLU A 13 -3.693 9.614 -12.710 1.00 0.00 C ATOM 195 CD GLU A 13 -2.222 9.309 -12.890 1.00 0.00 C ATOM 196 OE1 GLU A 13 -1.388 10.145 -12.484 1.00 0.00 O ATOM 197 OE2 GLU A 13 -1.888 8.231 -13.421 1.00 0.00 O ATOM 0 H GLU A 13 -6.063 7.958 -11.156 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.273 7.510 -11.322 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.152 9.822 -11.160 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.507 10.138 -10.645 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.283 8.937 -13.327 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.900 10.626 -13.059 1.00 0.00 H new ATOM 204 N GLU A 14 -4.482 7.967 -8.364 1.00 0.00 N ATOM 205 CA GLU A 14 -4.158 7.900 -6.959 1.00 0.00 C ATOM 206 C GLU A 14 -3.608 6.528 -6.608 1.00 0.00 C ATOM 207 O GLU A 14 -2.606 6.422 -5.911 1.00 0.00 O ATOM 208 CB GLU A 14 -5.385 8.209 -6.116 1.00 0.00 C ATOM 209 CG GLU A 14 -5.726 9.686 -6.035 1.00 0.00 C ATOM 210 CD GLU A 14 -6.935 9.948 -5.163 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.056 9.566 -5.566 1.00 0.00 O ATOM 212 OE2 GLU A 14 -6.775 10.526 -4.066 1.00 0.00 O ATOM 0 H GLU A 14 -5.481 7.939 -8.569 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.393 8.646 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.240 7.672 -6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.225 7.828 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.870 10.233 -5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.914 10.069 -7.038 1.00 0.00 H new ATOM 219 N LYS A 15 -4.270 5.482 -7.099 1.00 0.00 N ATOM 220 CA LYS A 15 -3.787 4.111 -6.923 1.00 0.00 C ATOM 221 C LYS A 15 -2.379 3.954 -7.495 1.00 0.00 C ATOM 222 O LYS A 15 -1.530 3.287 -6.903 1.00 0.00 O ATOM 223 CB LYS A 15 -4.720 3.098 -7.585 1.00 0.00 C ATOM 224 CG LYS A 15 -6.029 2.888 -6.862 1.00 0.00 C ATOM 225 CD LYS A 15 -7.080 2.398 -7.825 1.00 0.00 C ATOM 226 CE LYS A 15 -8.096 1.524 -7.130 1.00 0.00 C ATOM 227 NZ LYS A 15 -9.045 0.903 -8.088 1.00 0.00 N ATOM 0 H LYS A 15 -5.143 5.556 -7.622 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.765 3.914 -5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.930 3.427 -8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.203 2.141 -7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.897 2.165 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.353 3.821 -6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.583 3.250 -8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.605 1.838 -8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.580 0.742 -6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.651 2.120 -6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.916 0.633 -7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.274 1.584 -8.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.610 0.057 -8.508 1.00 0.00 H new ATOM 241 N ARG A 16 -2.134 4.570 -8.653 1.00 0.00 N ATOM 242 CA ARG A 16 -0.803 4.541 -9.253 1.00 0.00 C ATOM 243 C ARG A 16 0.198 5.254 -8.359 1.00 0.00 C ATOM 244 O ARG A 16 1.250 4.703 -8.039 1.00 0.00 O ATOM 245 CB ARG A 16 -0.784 5.169 -10.645 1.00 0.00 C ATOM 246 CG ARG A 16 0.569 5.005 -11.311 1.00 0.00 C ATOM 247 CD ARG A 16 0.665 5.701 -12.652 1.00 0.00 C ATOM 248 NE ARG A 16 0.455 7.146 -12.570 1.00 0.00 N ATOM 249 CZ ARG A 16 1.443 8.040 -12.524 1.00 0.00 C ATOM 250 NH1 ARG A 16 2.709 7.641 -12.485 1.00 0.00 N ATOM 251 NH2 ARG A 16 1.163 9.334 -12.526 1.00 0.00 N ATOM 0 H ARG A 16 -2.832 5.088 -9.187 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.523 3.493 -9.355 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.554 4.708 -11.264 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.028 6.229 -10.570 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.342 5.397 -10.650 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.774 3.943 -11.445 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.647 5.507 -13.085 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.072 5.272 -13.330 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.505 7.490 -12.547 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.930 6.645 -12.490 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.460 8.330 -12.450 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.192 9.646 -12.563 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.918 10.019 -12.491 1.00 0.00 H new ATOM 265 N GLN A 17 -0.142 6.474 -7.948 1.00 0.00 N ATOM 266 CA GLN A 17 0.718 7.248 -7.068 1.00 0.00 C ATOM 267 C GLN A 17 0.965 6.474 -5.780 1.00 0.00 C ATOM 268 O GLN A 17 2.084 6.401 -5.288 1.00 0.00 O ATOM 269 CB GLN A 17 0.077 8.602 -6.761 1.00 0.00 C ATOM 270 CG GLN A 17 1.020 9.583 -6.093 1.00 0.00 C ATOM 271 CD GLN A 17 2.093 10.083 -7.035 1.00 0.00 C ATOM 272 OE1 GLN A 17 3.165 9.491 -7.148 1.00 0.00 O ATOM 273 NE2 GLN A 17 1.811 11.178 -7.721 1.00 0.00 N ATOM 0 H GLN A 17 -1.008 6.944 -8.213 1.00 0.00 H new ATOM 0 HA GLN A 17 1.673 7.423 -7.564 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.291 9.039 -7.689 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.789 8.447 -6.117 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.449 10.431 -5.714 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.489 9.104 -5.233 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.909 11.639 -7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.495 11.562 -8.373 1.00 0.00 H new ATOM 282 N LEU A 18 -0.101 5.870 -5.279 1.00 0.00 N ATOM 283 CA LEU A 18 -0.060 5.018 -4.098 1.00 0.00 C ATOM 284 C LEU A 18 1.016 3.947 -4.259 1.00 0.00 C ATOM 285 O LEU A 18 1.879 3.782 -3.400 1.00 0.00 O ATOM 286 CB LEU A 18 -1.425 4.352 -3.932 1.00 0.00 C ATOM 287 CG LEU A 18 -1.849 3.954 -2.521 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.135 3.170 -2.594 1.00 0.00 C ATOM 289 CD2 LEU A 18 -0.784 3.148 -1.803 1.00 0.00 C ATOM 0 H LEU A 18 -1.032 5.958 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 18 0.176 5.619 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.180 5.029 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.440 3.456 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.996 4.867 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.443 2.883 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.911 3.785 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.982 2.275 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.135 2.890 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.579 2.235 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.129 3.739 -1.726 1.00 0.00 H new ATOM 301 N SER A 19 0.961 3.234 -5.376 1.00 0.00 N ATOM 302 CA SER A 19 1.877 2.133 -5.636 1.00 0.00 C ATOM 303 C SER A 19 3.318 2.636 -5.720 1.00 0.00 C ATOM 304 O SER A 19 4.265 1.926 -5.375 1.00 0.00 O ATOM 305 CB SER A 19 1.464 1.422 -6.931 1.00 0.00 C ATOM 306 OG SER A 19 2.017 2.047 -8.080 1.00 0.00 O ATOM 0 H SER A 19 0.285 3.401 -6.122 1.00 0.00 H new ATOM 0 HA SER A 19 1.826 1.422 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.788 0.382 -6.893 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.377 1.415 -7.010 1.00 0.00 H new ATOM 0 HG SER A 19 1.787 3.000 -8.077 1.00 0.00 H new ATOM 312 N LEU A 20 3.463 3.879 -6.146 1.00 0.00 N ATOM 313 CA LEU A 20 4.768 4.496 -6.324 1.00 0.00 C ATOM 314 C LEU A 20 5.298 5.033 -4.992 1.00 0.00 C ATOM 315 O LEU A 20 6.506 5.035 -4.740 1.00 0.00 O ATOM 316 CB LEU A 20 4.653 5.595 -7.376 1.00 0.00 C ATOM 317 CG LEU A 20 4.238 5.098 -8.754 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.322 6.217 -9.761 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.090 3.916 -9.178 1.00 0.00 C ATOM 0 H LEU A 20 2.680 4.490 -6.379 1.00 0.00 H new ATOM 0 HA LEU A 20 5.487 3.754 -6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.928 6.334 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.613 6.104 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 20 3.203 4.761 -8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.022 5.847 -10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.658 7.028 -9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.346 6.586 -9.810 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.776 3.577 -10.165 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.137 4.216 -9.213 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.969 3.104 -8.460 1.00 0.00 H new ATOM 331 N ASP A 21 4.378 5.466 -4.141 1.00 0.00 N ATOM 332 CA ASP A 21 4.697 5.902 -2.786 1.00 0.00 C ATOM 333 C ASP A 21 4.944 4.699 -1.865 1.00 0.00 C ATOM 334 O ASP A 21 5.799 4.749 -0.984 1.00 0.00 O ATOM 335 CB ASP A 21 3.595 6.798 -2.262 1.00 0.00 C ATOM 336 CG ASP A 21 3.655 8.205 -2.826 1.00 0.00 C ATOM 337 OD1 ASP A 21 4.618 8.940 -2.519 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.726 8.605 -3.553 1.00 0.00 O ATOM 0 H ASP A 21 3.386 5.525 -4.370 1.00 0.00 H new ATOM 0 HA ASP A 21 5.621 6.479 -2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.629 6.356 -2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.659 6.845 -1.175 1.00 0.00 H new ATOM 343 N ILE A 22 4.221 3.606 -2.088 1.00 0.00 N ATOM 344 CA ILE A 22 4.494 2.353 -1.387 1.00 0.00 C ATOM 345 C ILE A 22 5.895 1.865 -1.712 1.00 0.00 C ATOM 346 O ILE A 22 6.599 1.332 -0.856 1.00 0.00 O ATOM 347 CB ILE A 22 3.458 1.275 -1.775 1.00 0.00 C ATOM 348 CG1 ILE A 22 2.275 1.315 -0.814 1.00 0.00 C ATOM 349 CG2 ILE A 22 4.069 -0.121 -1.836 1.00 0.00 C ATOM 350 CD1 ILE A 22 1.143 0.387 -1.204 1.00 0.00 C ATOM 0 H ILE A 22 3.443 3.561 -2.746 1.00 0.00 H new ATOM 0 HA ILE A 22 4.420 2.537 -0.315 1.00 0.00 H new ATOM 0 HB ILE A 22 3.105 1.504 -2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.621 1.052 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.895 2.335 -0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.300 -0.843 -2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.866 -0.137 -2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.478 -0.382 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.337 0.469 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.769 0.663 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.507 -0.640 -1.228 1.00 0.00 H new ATOM 362 N ASN A 23 6.297 2.077 -2.954 1.00 0.00 N ATOM 363 CA ASN A 23 7.601 1.652 -3.418 1.00 0.00 C ATOM 364 C ASN A 23 8.698 2.497 -2.768 1.00 0.00 C ATOM 365 O ASN A 23 9.863 2.124 -2.759 1.00 0.00 O ATOM 366 CB ASN A 23 7.651 1.764 -4.941 1.00 0.00 C ATOM 367 CG ASN A 23 8.907 1.165 -5.551 1.00 0.00 C ATOM 368 OD1 ASN A 23 8.947 -0.024 -5.873 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.927 1.983 -5.741 1.00 0.00 N ATOM 0 H ASN A 23 5.731 2.545 -3.662 1.00 0.00 H new ATOM 0 HA ASN A 23 7.771 0.614 -3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.778 1.266 -5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.585 2.815 -5.223 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.786 1.636 -6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.855 2.961 -5.461 1.00 0.00 H new ATOM 376 N LYS A 24 8.307 3.644 -2.221 1.00 0.00 N ATOM 377 CA LYS A 24 9.235 4.519 -1.513 1.00 0.00 C ATOM 378 C LYS A 24 9.575 3.968 -0.132 1.00 0.00 C ATOM 379 O LYS A 24 10.646 4.254 0.411 1.00 0.00 O ATOM 380 CB LYS A 24 8.634 5.913 -1.367 1.00 0.00 C ATOM 381 CG LYS A 24 8.878 6.823 -2.557 1.00 0.00 C ATOM 382 CD LYS A 24 8.139 8.144 -2.403 1.00 0.00 C ATOM 383 CE LYS A 24 8.690 9.210 -3.338 1.00 0.00 C ATOM 384 NZ LYS A 24 10.131 9.482 -3.080 1.00 0.00 N ATOM 0 H LYS A 24 7.348 3.990 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 24 10.152 4.572 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.559 5.819 -1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.046 6.383 -0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.947 7.011 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.552 6.326 -3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.079 7.994 -2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.219 8.488 -1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.560 8.889 -4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.119 10.130 -3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.377 10.425 -3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.313 9.446 -2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.711 8.765 -3.560 1.00 0.00 H new ATOM 398 N LEU A 25 8.660 3.191 0.431 1.00 0.00 N ATOM 399 CA LEU A 25 8.828 2.658 1.777 1.00 0.00 C ATOM 400 C LEU A 25 9.974 1.651 1.856 1.00 0.00 C ATOM 401 O LEU A 25 10.124 0.798 0.982 1.00 0.00 O ATOM 402 CB LEU A 25 7.541 1.992 2.259 1.00 0.00 C ATOM 403 CG LEU A 25 6.383 2.937 2.552 1.00 0.00 C ATOM 404 CD1 LEU A 25 5.344 2.211 3.366 1.00 0.00 C ATOM 405 CD2 LEU A 25 6.860 4.159 3.302 1.00 0.00 C ATOM 0 H LEU A 25 7.790 2.915 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 25 9.069 3.503 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.219 1.274 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.762 1.426 3.164 1.00 0.00 H new ATOM 0 HG LEU A 25 5.951 3.266 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.513 2.884 3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.980 1.350 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.786 1.874 4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.014 4.818 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.310 3.854 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.600 4.688 2.702 1.00 0.00 H new ATOM 417 N PRO A 26 10.801 1.747 2.914 1.00 0.00 N ATOM 418 CA PRO A 26 11.850 0.759 3.183 1.00 0.00 C ATOM 419 C PRO A 26 11.254 -0.584 3.597 1.00 0.00 C ATOM 420 O PRO A 26 10.109 -0.637 4.047 1.00 0.00 O ATOM 421 CB PRO A 26 12.649 1.371 4.338 1.00 0.00 C ATOM 422 CG PRO A 26 11.711 2.330 4.995 1.00 0.00 C ATOM 423 CD PRO A 26 10.780 2.826 3.919 1.00 0.00 C ATOM 0 HA PRO A 26 12.461 0.557 2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.982 0.604 5.037 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.542 1.880 3.974 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.154 1.841 5.794 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.257 3.158 5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.775 2.994 4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.122 3.772 3.498 1.00 0.00 H new ATOM 431 N GLY A 27 12.038 -1.652 3.458 1.00 0.00 N ATOM 432 CA GLY A 27 11.548 -3.007 3.695 1.00 0.00 C ATOM 433 C GLY A 27 10.739 -3.155 4.975 1.00 0.00 C ATOM 434 O GLY A 27 9.632 -3.694 4.957 1.00 0.00 O ATOM 0 H GLY A 27 13.019 -1.603 3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.931 -3.313 2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.398 -3.689 3.733 1.00 0.00 H new ATOM 438 N GLU A 28 11.283 -2.667 6.080 1.00 0.00 N ATOM 439 CA GLU A 28 10.613 -2.767 7.374 1.00 0.00 C ATOM 440 C GLU A 28 9.286 -2.009 7.384 1.00 0.00 C ATOM 441 O GLU A 28 8.271 -2.518 7.866 1.00 0.00 O ATOM 442 CB GLU A 28 11.509 -2.272 8.517 1.00 0.00 C ATOM 443 CG GLU A 28 12.597 -1.297 8.111 1.00 0.00 C ATOM 444 CD GLU A 28 13.760 -1.968 7.416 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.464 -2.770 8.063 1.00 0.00 O ATOM 446 OE2 GLU A 28 13.961 -1.711 6.213 1.00 0.00 O ATOM 0 H GLU A 28 12.188 -2.197 6.109 1.00 0.00 H new ATOM 0 HA GLU A 28 10.405 -3.825 7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.880 -1.797 9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.976 -3.135 8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.172 -0.541 7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.961 -0.777 8.997 1.00 0.00 H new ATOM 453 N LYS A 29 9.281 -0.810 6.822 1.00 0.00 N ATOM 454 CA LYS A 29 8.092 0.027 6.860 1.00 0.00 C ATOM 455 C LYS A 29 7.042 -0.482 5.879 1.00 0.00 C ATOM 456 O LYS A 29 5.842 -0.302 6.083 1.00 0.00 O ATOM 457 CB LYS A 29 8.436 1.475 6.512 1.00 0.00 C ATOM 458 CG LYS A 29 8.681 2.388 7.706 1.00 0.00 C ATOM 459 CD LYS A 29 9.830 1.913 8.573 1.00 0.00 C ATOM 460 CE LYS A 29 10.570 3.086 9.196 1.00 0.00 C ATOM 461 NZ LYS A 29 9.662 3.966 9.983 1.00 0.00 N ATOM 0 H LYS A 29 10.079 -0.398 6.338 1.00 0.00 H new ATOM 0 HA LYS A 29 7.693 -0.016 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.326 1.479 5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.623 1.892 5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.891 3.397 7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.774 2.444 8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.450 1.260 9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.521 1.321 7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.363 2.711 9.844 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.050 3.670 8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.226 4.650 10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.027 4.476 9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.098 3.387 10.637 1.00 0.00 H new ATOM 475 N LEU A 30 7.494 -1.140 4.824 1.00 0.00 N ATOM 476 CA LEU A 30 6.580 -1.647 3.815 1.00 0.00 C ATOM 477 C LEU A 30 5.994 -2.995 4.227 1.00 0.00 C ATOM 478 O LEU A 30 5.002 -3.451 3.661 1.00 0.00 O ATOM 479 CB LEU A 30 7.257 -1.672 2.432 1.00 0.00 C ATOM 480 CG LEU A 30 7.163 -2.960 1.613 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.453 -2.649 0.169 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.139 -4.012 2.121 1.00 0.00 C ATOM 0 H LEU A 30 8.479 -1.334 4.645 1.00 0.00 H new ATOM 0 HA LEU A 30 5.733 -0.966 3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.831 -0.865 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.313 -1.441 2.572 1.00 0.00 H new ATOM 0 HG LEU A 30 6.155 -3.363 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.388 -3.564 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.726 -1.926 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.456 -2.232 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.047 -4.915 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.157 -3.629 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.913 -4.246 3.161 1.00 0.00 H new ATOM 494 N GLY A 31 6.579 -3.612 5.242 1.00 0.00 N ATOM 495 CA GLY A 31 5.960 -4.785 5.830 1.00 0.00 C ATOM 496 C GLY A 31 4.649 -4.428 6.511 1.00 0.00 C ATOM 497 O GLY A 31 3.847 -5.301 6.830 1.00 0.00 O ATOM 0 H GLY A 31 7.462 -3.327 5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.780 -5.532 5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.639 -5.234 6.555 1.00 0.00 H new ATOM 501 N ARG A 32 4.428 -3.135 6.746 1.00 0.00 N ATOM 502 CA ARG A 32 3.155 -2.682 7.288 1.00 0.00 C ATOM 503 C ARG A 32 2.077 -2.668 6.222 1.00 0.00 C ATOM 504 O ARG A 32 0.945 -3.043 6.497 1.00 0.00 O ATOM 505 CB ARG A 32 3.242 -1.293 7.899 1.00 0.00 C ATOM 506 CG ARG A 32 1.912 -0.808 8.454 1.00 0.00 C ATOM 507 CD ARG A 32 1.971 -0.632 9.961 1.00 0.00 C ATOM 508 NE ARG A 32 2.223 -1.898 10.651 1.00 0.00 N ATOM 509 CZ ARG A 32 1.781 -2.182 11.874 1.00 0.00 C ATOM 510 NH1 ARG A 32 1.058 -1.296 12.548 1.00 0.00 N ATOM 511 NH2 ARG A 32 2.075 -3.353 12.427 1.00 0.00 N ATOM 0 H ARG A 32 5.107 -2.394 6.571 1.00 0.00 H new ATOM 0 HA ARG A 32 2.898 -3.394 8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.983 -1.299 8.698 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.593 -0.590 7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.645 0.139 7.986 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.128 -1.522 8.200 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.757 0.081 10.212 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.031 -0.208 10.314 1.00 0.00 H new ATOM 0 HE ARG A 32 2.772 -2.607 10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.839 -0.392 12.129 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.722 -1.519 13.485 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.638 -4.032 11.915 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.738 -3.574 13.364 1.00 0.00 H new ATOM 525 N VAL A 33 2.407 -2.215 5.011 1.00 0.00 N ATOM 526 CA VAL A 33 1.413 -2.207 3.938 1.00 0.00 C ATOM 527 C VAL A 33 0.917 -3.611 3.693 1.00 0.00 C ATOM 528 O VAL A 33 -0.284 -3.839 3.608 1.00 0.00 O ATOM 529 CB VAL A 33 1.917 -1.595 2.608 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.190 -0.301 2.334 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.403 -1.330 2.614 1.00 0.00 C ATOM 0 H VAL A 33 3.327 -1.859 4.753 1.00 0.00 H new ATOM 0 HA VAL A 33 0.605 -1.561 4.282 1.00 0.00 H new ATOM 0 HB VAL A 33 1.714 -2.327 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.548 0.126 1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.120 -0.494 2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.377 0.400 3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.700 -0.901 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.645 -0.631 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.939 -2.266 2.774 1.00 0.00 H new ATOM 541 N VAL A 34 1.847 -4.549 3.609 1.00 0.00 N ATOM 542 CA VAL A 34 1.507 -5.970 3.558 1.00 0.00 C ATOM 543 C VAL A 34 0.552 -6.329 4.705 1.00 0.00 C ATOM 544 O VAL A 34 -0.424 -7.032 4.499 1.00 0.00 O ATOM 545 CB VAL A 34 2.769 -6.889 3.619 1.00 0.00 C ATOM 546 CG1 VAL A 34 4.015 -6.152 3.174 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.969 -7.508 4.996 1.00 0.00 C ATOM 0 H VAL A 34 2.848 -4.355 3.574 1.00 0.00 H new ATOM 0 HA VAL A 34 1.019 -6.145 2.599 1.00 0.00 H new ATOM 0 HB VAL A 34 2.590 -7.706 2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.873 -6.822 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.888 -5.809 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.182 -5.294 3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.859 -8.138 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.092 -6.717 5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.099 -8.113 5.253 1.00 0.00 H new ATOM 557 N HIS A 35 0.819 -5.800 5.899 1.00 0.00 N ATOM 558 CA HIS A 35 0.031 -6.129 7.082 1.00 0.00 C ATOM 559 C HIS A 35 -1.356 -5.507 6.995 1.00 0.00 C ATOM 560 O HIS A 35 -2.354 -6.159 7.286 1.00 0.00 O ATOM 561 CB HIS A 35 0.750 -5.659 8.352 1.00 0.00 C ATOM 562 CG HIS A 35 0.016 -5.978 9.617 1.00 0.00 C ATOM 563 ND1 HIS A 35 0.008 -7.230 10.188 1.00 0.00 N ATOM 564 CD2 HIS A 35 -0.738 -5.194 10.423 1.00 0.00 C ATOM 565 CE1 HIS A 35 -0.720 -7.207 11.285 1.00 0.00 C ATOM 566 NE2 HIS A 35 -1.184 -5.984 11.453 1.00 0.00 N ATOM 0 H HIS A 35 1.578 -5.140 6.071 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.082 -7.212 7.128 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.737 -6.119 8.390 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.903 -4.581 8.294 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.949 -4.144 10.282 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.906 -8.048 11.937 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.778 -5.675 12.223 1.00 0.00 H new ATOM 575 N ILE A 36 -1.410 -4.240 6.607 1.00 0.00 N ATOM 576 CA ILE A 36 -2.678 -3.556 6.407 1.00 0.00 C ATOM 577 C ILE A 36 -3.482 -4.277 5.347 1.00 0.00 C ATOM 578 O ILE A 36 -4.670 -4.540 5.508 1.00 0.00 O ATOM 579 CB ILE A 36 -2.482 -2.098 5.960 1.00 0.00 C ATOM 580 CG1 ILE A 36 -1.706 -1.333 7.037 1.00 0.00 C ATOM 581 CG2 ILE A 36 -3.849 -1.475 5.695 1.00 0.00 C ATOM 582 CD1 ILE A 36 -1.129 -0.022 6.570 1.00 0.00 C ATOM 0 H ILE A 36 -0.588 -3.665 6.424 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.202 -3.558 7.363 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.901 -2.052 5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.369 -1.145 7.882 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.896 -1.964 7.402 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.722 -0.440 5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.358 -2.035 4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.445 -1.504 6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.596 0.455 7.393 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.438 -0.201 5.746 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.934 0.631 6.233 1.00 0.00 H new ATOM 594 N ILE A 37 -2.806 -4.595 4.268 1.00 0.00 N ATOM 595 CA ILE A 37 -3.401 -5.309 3.166 1.00 0.00 C ATOM 596 C ILE A 37 -3.895 -6.686 3.606 1.00 0.00 C ATOM 597 O ILE A 37 -5.069 -6.961 3.515 1.00 0.00 O ATOM 598 CB ILE A 37 -2.394 -5.396 2.012 1.00 0.00 C ATOM 599 CG1 ILE A 37 -2.308 -4.044 1.315 1.00 0.00 C ATOM 600 CG2 ILE A 37 -2.768 -6.491 1.040 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.063 -3.863 0.496 1.00 0.00 C ATOM 0 H ILE A 37 -1.822 -4.364 4.131 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.277 -4.765 2.813 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.414 -5.650 2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.178 -3.923 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.356 -3.255 2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.035 -6.528 0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.784 -7.449 1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.755 -6.287 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.074 -2.877 0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.188 -3.951 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.022 -4.629 -0.278 1.00 0.00 H new ATOM 613 N GLN A 38 -3.011 -7.524 4.119 1.00 0.00 N ATOM 614 CA GLN A 38 -3.395 -8.860 4.599 1.00 0.00 C ATOM 615 C GLN A 38 -4.537 -8.809 5.632 1.00 0.00 C ATOM 616 O GLN A 38 -5.326 -9.750 5.737 1.00 0.00 O ATOM 617 CB GLN A 38 -2.195 -9.575 5.232 1.00 0.00 C ATOM 618 CG GLN A 38 -1.071 -9.906 4.266 1.00 0.00 C ATOM 619 CD GLN A 38 0.112 -10.566 4.949 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.255 -10.378 4.545 1.00 0.00 O ATOM 621 NE2 GLN A 38 -0.153 -11.358 5.981 1.00 0.00 N ATOM 0 H GLN A 38 -2.018 -7.312 4.218 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.744 -9.409 3.725 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.797 -8.949 6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.542 -10.499 5.694 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.450 -10.567 3.486 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.738 -8.992 3.775 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.117 -11.490 6.288 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.607 -11.834 6.467 1.00 0.00 H new ATOM 630 N SER A 39 -4.607 -7.734 6.413 1.00 0.00 N ATOM 631 CA SER A 39 -5.634 -7.612 7.449 1.00 0.00 C ATOM 632 C SER A 39 -6.959 -7.096 6.882 1.00 0.00 C ATOM 633 O SER A 39 -8.024 -7.627 7.198 1.00 0.00 O ATOM 634 CB SER A 39 -5.151 -6.705 8.581 1.00 0.00 C ATOM 635 OG SER A 39 -4.814 -5.412 8.110 1.00 0.00 O ATOM 0 H SER A 39 -3.971 -6.939 6.351 1.00 0.00 H new ATOM 0 HA SER A 39 -5.813 -8.611 7.847 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.929 -6.624 9.340 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.282 -7.155 9.062 1.00 0.00 H new ATOM 0 HG SER A 39 -3.907 -5.425 7.740 1.00 0.00 H new ATOM 641 N ARG A 40 -6.893 -6.058 6.055 1.00 0.00 N ATOM 642 CA ARG A 40 -8.091 -5.527 5.405 1.00 0.00 C ATOM 643 C ARG A 40 -8.544 -6.451 4.284 1.00 0.00 C ATOM 644 O ARG A 40 -9.723 -6.499 3.937 1.00 0.00 O ATOM 645 CB ARG A 40 -7.859 -4.121 4.865 1.00 0.00 C ATOM 646 CG ARG A 40 -8.103 -3.046 5.890 1.00 0.00 C ATOM 647 CD ARG A 40 -6.813 -2.540 6.476 1.00 0.00 C ATOM 648 NE ARG A 40 -7.025 -1.692 7.652 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.266 -0.379 7.613 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.380 0.255 6.453 1.00 0.00 N ATOM 651 NH2 ARG A 40 -7.402 0.299 8.743 1.00 0.00 N ATOM 0 H ARG A 40 -6.030 -5.569 5.818 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.876 -5.472 6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.834 -4.042 4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.514 -3.954 4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.644 -2.219 5.430 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.736 -3.438 6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.186 -3.388 6.752 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.270 -1.975 5.718 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.986 -2.138 8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.284 -0.261 5.578 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.564 1.258 6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.323 -0.182 9.639 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.586 1.302 8.717 1.00 0.00 H new ATOM 665 N GLU A 41 -7.593 -7.190 3.741 1.00 0.00 N ATOM 666 CA GLU A 41 -7.855 -8.185 2.714 1.00 0.00 C ATOM 667 C GLU A 41 -7.569 -9.579 3.267 1.00 0.00 C ATOM 668 O GLU A 41 -6.553 -10.186 2.923 1.00 0.00 O ATOM 669 CB GLU A 41 -6.945 -7.964 1.505 1.00 0.00 C ATOM 670 CG GLU A 41 -6.788 -6.518 1.077 1.00 0.00 C ATOM 671 CD GLU A 41 -8.019 -5.958 0.401 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.595 -6.661 -0.457 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.414 -4.813 0.723 1.00 0.00 O ATOM 0 H GLU A 41 -6.610 -7.117 4.002 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.899 -8.094 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.959 -8.369 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.338 -8.535 0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.554 -5.911 1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.940 -6.438 0.397 1.00 0.00 H new ATOM 680 N PRO A 42 -8.449 -10.127 4.122 1.00 0.00 N ATOM 681 CA PRO A 42 -8.226 -11.442 4.726 1.00 0.00 C ATOM 682 C PRO A 42 -8.231 -12.550 3.677 1.00 0.00 C ATOM 683 O PRO A 42 -7.902 -13.701 3.964 1.00 0.00 O ATOM 684 CB PRO A 42 -9.402 -11.612 5.699 1.00 0.00 C ATOM 685 CG PRO A 42 -9.977 -10.246 5.863 1.00 0.00 C ATOM 686 CD PRO A 42 -9.714 -9.531 4.570 1.00 0.00 C ATOM 0 HA PRO A 42 -7.255 -11.507 5.217 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.143 -12.306 5.303 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.067 -12.015 6.655 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.046 -10.295 6.072 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.512 -9.724 6.699 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.515 -9.692 3.848 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.626 -8.454 4.714 1.00 0.00 H new ATOM 694 N SER A 43 -8.603 -12.187 2.458 1.00 0.00 N ATOM 695 CA SER A 43 -8.579 -13.105 1.335 1.00 0.00 C ATOM 696 C SER A 43 -7.139 -13.453 0.951 1.00 0.00 C ATOM 697 O SER A 43 -6.889 -14.465 0.298 1.00 0.00 O ATOM 698 CB SER A 43 -9.304 -12.477 0.144 1.00 0.00 C ATOM 699 OG SER A 43 -10.607 -12.047 0.511 1.00 0.00 O ATOM 0 H SER A 43 -8.929 -11.249 2.223 1.00 0.00 H new ATOM 0 HA SER A 43 -9.087 -14.025 1.623 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.730 -11.630 -0.231 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.371 -13.201 -0.668 1.00 0.00 H new ATOM 0 HG SER A 43 -11.051 -11.647 -0.266 1.00 0.00 H new ATOM 705 N LEU A 44 -6.190 -12.617 1.364 1.00 0.00 N ATOM 706 CA LEU A 44 -4.788 -12.852 1.054 1.00 0.00 C ATOM 707 C LEU A 44 -3.949 -12.978 2.326 1.00 0.00 C ATOM 708 O LEU A 44 -2.743 -12.749 2.315 1.00 0.00 O ATOM 709 CB LEU A 44 -4.258 -11.745 0.124 1.00 0.00 C ATOM 710 CG LEU A 44 -4.366 -10.312 0.624 1.00 0.00 C ATOM 711 CD1 LEU A 44 -3.071 -9.874 1.268 1.00 0.00 C ATOM 712 CD2 LEU A 44 -4.718 -9.386 -0.525 1.00 0.00 C ATOM 0 H LEU A 44 -6.368 -11.775 1.912 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.704 -13.803 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.209 -11.952 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.792 -11.814 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.156 -10.265 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.168 -8.847 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.846 -10.526 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.264 -9.933 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.793 -8.363 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.942 -9.442 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.673 -9.688 -0.956 1.00 0.00 H new ATOM 724 N LYS A 45 -4.592 -13.383 3.421 1.00 0.00 N ATOM 725 CA LYS A 45 -3.891 -13.573 4.693 1.00 0.00 C ATOM 726 C LYS A 45 -2.927 -14.757 4.622 1.00 0.00 C ATOM 727 O LYS A 45 -2.013 -14.864 5.437 1.00 0.00 O ATOM 728 CB LYS A 45 -4.875 -13.772 5.850 1.00 0.00 C ATOM 729 CG LYS A 45 -5.669 -15.064 5.783 1.00 0.00 C ATOM 730 CD LYS A 45 -6.557 -15.251 7.005 1.00 0.00 C ATOM 731 CE LYS A 45 -5.739 -15.599 8.240 1.00 0.00 C ATOM 732 NZ LYS A 45 -5.288 -14.394 8.993 1.00 0.00 N ATOM 0 H LYS A 45 -5.591 -13.585 3.454 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.317 -12.666 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.322 -13.748 6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.570 -12.933 5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.285 -15.065 4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.983 -15.907 5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.123 -14.338 7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.281 -16.042 6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.335 -16.231 8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.868 -16.182 7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.250 -14.395 9.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.601 -13.536 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.698 -14.409 9.949 1.00 0.00 H new ATOM 746 N ASN A 46 -3.138 -15.645 3.656 1.00 0.00 N ATOM 747 CA ASN A 46 -2.248 -16.786 3.458 1.00 0.00 C ATOM 748 C ASN A 46 -0.908 -16.327 2.894 1.00 0.00 C ATOM 749 O ASN A 46 0.122 -16.962 3.113 1.00 0.00 O ATOM 750 CB ASN A 46 -2.895 -17.808 2.516 1.00 0.00 C ATOM 751 CG ASN A 46 -2.005 -19.006 2.236 1.00 0.00 C ATOM 752 OD1 ASN A 46 -1.998 -19.981 2.988 1.00 0.00 O ATOM 753 ND2 ASN A 46 -1.263 -18.956 1.139 1.00 0.00 N ATOM 0 H ASN A 46 -3.916 -15.598 2.998 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.074 -17.259 4.424 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.832 -18.153 2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.143 -17.319 1.574 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.661 -19.742 0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.294 -18.132 0.539 1.00 0.00 H new ATOM 760 N SER A 47 -0.935 -15.210 2.183 1.00 0.00 N ATOM 761 CA SER A 47 0.260 -14.666 1.552 1.00 0.00 C ATOM 762 C SER A 47 1.301 -14.259 2.596 1.00 0.00 C ATOM 763 O SER A 47 0.961 -13.749 3.666 1.00 0.00 O ATOM 764 CB SER A 47 -0.124 -13.473 0.677 1.00 0.00 C ATOM 765 OG SER A 47 -0.939 -13.889 -0.410 1.00 0.00 O ATOM 0 H SER A 47 -1.778 -14.658 2.027 1.00 0.00 H new ATOM 0 HA SER A 47 0.709 -15.439 0.928 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.657 -12.734 1.275 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.776 -12.989 0.299 1.00 0.00 H new ATOM 0 HG SER A 47 -1.176 -13.112 -0.958 1.00 0.00 H new ATOM 771 N ASN A 48 2.567 -14.507 2.280 1.00 0.00 N ATOM 772 CA ASN A 48 3.662 -14.211 3.196 1.00 0.00 C ATOM 773 C ASN A 48 3.899 -12.711 3.278 1.00 0.00 C ATOM 774 O ASN A 48 3.910 -12.016 2.261 1.00 0.00 O ATOM 775 CB ASN A 48 4.947 -14.907 2.750 1.00 0.00 C ATOM 776 CG ASN A 48 4.823 -16.420 2.736 1.00 0.00 C ATOM 777 OD1 ASN A 48 4.431 -17.013 1.731 1.00 0.00 O ATOM 778 ND2 ASN A 48 5.165 -17.056 3.845 1.00 0.00 N ATOM 0 H ASN A 48 2.861 -14.914 1.392 1.00 0.00 H new ATOM 0 HA ASN A 48 3.382 -14.584 4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.215 -14.560 1.752 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.760 -14.620 3.417 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.108 -18.074 3.887 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.485 -16.529 4.657 1.00 0.00 H new ATOM 785 N PRO A 49 4.117 -12.207 4.500 1.00 0.00 N ATOM 786 CA PRO A 49 4.241 -10.769 4.767 1.00 0.00 C ATOM 787 C PRO A 49 5.465 -10.131 4.119 1.00 0.00 C ATOM 788 O PRO A 49 5.524 -8.918 3.943 1.00 0.00 O ATOM 789 CB PRO A 49 4.357 -10.700 6.290 1.00 0.00 C ATOM 790 CG PRO A 49 4.850 -12.037 6.702 1.00 0.00 C ATOM 791 CD PRO A 49 4.248 -13.006 5.730 1.00 0.00 C ATOM 0 HA PRO A 49 3.396 -10.220 4.353 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.047 -9.914 6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.394 -10.477 6.749 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.939 -12.079 6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.548 -12.268 7.724 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.887 -13.876 5.580 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.283 -13.376 6.075 1.00 0.00 H new ATOM 799 N ASP A 50 6.451 -10.938 3.779 1.00 0.00 N ATOM 800 CA ASP A 50 7.646 -10.417 3.134 1.00 0.00 C ATOM 801 C ASP A 50 7.611 -10.683 1.640 1.00 0.00 C ATOM 802 O ASP A 50 8.580 -10.417 0.933 1.00 0.00 O ATOM 803 CB ASP A 50 8.912 -11.029 3.742 1.00 0.00 C ATOM 804 CG ASP A 50 9.096 -10.654 5.197 1.00 0.00 C ATOM 805 OD1 ASP A 50 9.475 -9.498 5.472 1.00 0.00 O ATOM 806 OD2 ASP A 50 8.862 -11.512 6.074 1.00 0.00 O ATOM 0 H ASP A 50 6.452 -11.946 3.935 1.00 0.00 H new ATOM 0 HA ASP A 50 7.667 -9.340 3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.866 -12.114 3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.781 -10.699 3.172 1.00 0.00 H new ATOM 811 N GLU A 51 6.494 -11.210 1.154 1.00 0.00 N ATOM 812 CA GLU A 51 6.379 -11.563 -0.253 1.00 0.00 C ATOM 813 C GLU A 51 4.999 -11.200 -0.769 1.00 0.00 C ATOM 814 O GLU A 51 4.474 -11.834 -1.685 1.00 0.00 O ATOM 815 CB GLU A 51 6.654 -13.054 -0.466 1.00 0.00 C ATOM 816 CG GLU A 51 7.937 -13.543 0.195 1.00 0.00 C ATOM 817 CD GLU A 51 8.416 -14.859 -0.361 1.00 0.00 C ATOM 818 OE1 GLU A 51 7.693 -15.866 -0.231 1.00 0.00 O ATOM 819 OE2 GLU A 51 9.520 -14.890 -0.939 1.00 0.00 O ATOM 0 H GLU A 51 5.661 -11.401 1.710 1.00 0.00 H new ATOM 0 HA GLU A 51 7.125 -10.999 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.814 -13.628 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.708 -13.255 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.717 -12.793 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.771 -13.646 1.267 1.00 0.00 H new ATOM 826 N ILE A 52 4.416 -10.179 -0.160 1.00 0.00 N ATOM 827 CA ILE A 52 3.051 -9.789 -0.452 1.00 0.00 C ATOM 828 C ILE A 52 2.909 -9.218 -1.856 1.00 0.00 C ATOM 829 O ILE A 52 3.855 -8.680 -2.435 1.00 0.00 O ATOM 830 CB ILE A 52 2.526 -8.783 0.598 1.00 0.00 C ATOM 831 CG1 ILE A 52 1.026 -8.978 0.816 1.00 0.00 C ATOM 832 CG2 ILE A 52 2.809 -7.353 0.177 1.00 0.00 C ATOM 833 CD1 ILE A 52 0.669 -10.337 1.338 1.00 0.00 C ATOM 0 H ILE A 52 4.875 -9.603 0.546 1.00 0.00 H new ATOM 0 HA ILE A 52 2.443 -10.693 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 52 3.050 -8.972 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.668 -8.223 1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.505 -8.811 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.428 -6.668 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.884 -7.212 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.318 -7.150 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.411 -10.404 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.997 -11.097 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.161 -10.499 2.297 1.00 0.00 H new ATOM 845 N GLU A 53 1.719 -9.373 -2.394 1.00 0.00 N ATOM 846 CA GLU A 53 1.380 -8.831 -3.696 1.00 0.00 C ATOM 847 C GLU A 53 0.290 -7.785 -3.521 1.00 0.00 C ATOM 848 O GLU A 53 -0.889 -8.119 -3.403 1.00 0.00 O ATOM 849 CB GLU A 53 0.885 -9.939 -4.633 1.00 0.00 C ATOM 850 CG GLU A 53 1.921 -11.007 -4.960 1.00 0.00 C ATOM 851 CD GLU A 53 2.886 -10.580 -6.045 1.00 0.00 C ATOM 852 OE1 GLU A 53 2.499 -10.632 -7.232 1.00 0.00 O ATOM 853 OE2 GLU A 53 4.036 -10.220 -5.724 1.00 0.00 O ATOM 0 H GLU A 53 0.957 -9.879 -1.942 1.00 0.00 H new ATOM 0 HA GLU A 53 2.268 -8.381 -4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.019 -10.420 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.546 -9.484 -5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.482 -11.250 -4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.410 -11.918 -5.273 1.00 0.00 H new ATOM 860 N ILE A 54 0.682 -6.524 -3.484 1.00 0.00 N ATOM 861 CA ILE A 54 -0.264 -5.449 -3.313 1.00 0.00 C ATOM 862 C ILE A 54 -1.055 -5.239 -4.604 1.00 0.00 C ATOM 863 O ILE A 54 -0.530 -4.704 -5.583 1.00 0.00 O ATOM 864 CB ILE A 54 0.455 -4.136 -2.959 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.372 -4.307 -1.745 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.551 -3.037 -2.711 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.988 -3.001 -1.290 1.00 0.00 C ATOM 0 H ILE A 54 1.653 -6.224 -3.571 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.936 -5.721 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 54 1.079 -3.858 -3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.803 -4.741 -0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.166 -5.012 -1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.028 -2.114 -2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.150 -2.883 -3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.202 -3.320 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.628 -3.182 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.582 -2.577 -2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.198 -2.302 -1.016 1.00 0.00 H new ATOM 879 N ASP A 55 -2.301 -5.675 -4.612 1.00 0.00 N ATOM 880 CA ASP A 55 -3.148 -5.524 -5.788 1.00 0.00 C ATOM 881 C ASP A 55 -4.179 -4.438 -5.546 1.00 0.00 C ATOM 882 O ASP A 55 -5.205 -4.670 -4.911 1.00 0.00 O ATOM 883 CB ASP A 55 -3.837 -6.848 -6.135 1.00 0.00 C ATOM 884 CG ASP A 55 -4.696 -6.744 -7.378 1.00 0.00 C ATOM 885 OD1 ASP A 55 -5.872 -6.341 -7.261 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.205 -7.074 -8.476 1.00 0.00 O ATOM 0 H ASP A 55 -2.751 -6.136 -3.821 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.522 -5.237 -6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.082 -7.620 -6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.455 -7.164 -5.295 1.00 0.00 H new ATOM 891 N PHE A 56 -3.904 -3.256 -6.078 1.00 0.00 N ATOM 892 CA PHE A 56 -4.670 -2.058 -5.750 1.00 0.00 C ATOM 893 C PHE A 56 -6.089 -2.077 -6.321 1.00 0.00 C ATOM 894 O PHE A 56 -6.890 -1.192 -6.026 1.00 0.00 O ATOM 895 CB PHE A 56 -3.925 -0.817 -6.230 1.00 0.00 C ATOM 896 CG PHE A 56 -2.573 -0.663 -5.598 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.456 -0.112 -4.341 1.00 0.00 C ATOM 898 CD2 PHE A 56 -1.426 -1.076 -6.250 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.238 0.034 -3.738 1.00 0.00 C ATOM 900 CE2 PHE A 56 -0.193 -0.933 -5.649 1.00 0.00 C ATOM 901 CZ PHE A 56 -0.102 -0.374 -4.387 1.00 0.00 C ATOM 0 H PHE A 56 -3.149 -3.098 -6.745 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.772 -2.035 -4.665 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.810 -0.865 -7.313 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.525 0.067 -6.012 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.345 0.212 -3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.496 -1.513 -7.235 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.171 0.470 -2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.700 -1.257 -6.163 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.862 -0.259 -3.914 1.00 0.00 H new ATOM 911 N GLU A 57 -6.401 -3.078 -7.130 1.00 0.00 N ATOM 912 CA GLU A 57 -7.744 -3.218 -7.672 1.00 0.00 C ATOM 913 C GLU A 57 -8.627 -4.009 -6.719 1.00 0.00 C ATOM 914 O GLU A 57 -9.822 -3.735 -6.586 1.00 0.00 O ATOM 915 CB GLU A 57 -7.703 -3.897 -9.039 1.00 0.00 C ATOM 916 CG GLU A 57 -7.225 -2.985 -10.152 1.00 0.00 C ATOM 917 CD GLU A 57 -8.094 -1.751 -10.306 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.167 -1.849 -10.936 1.00 0.00 O ATOM 919 OE2 GLU A 57 -7.713 -0.679 -9.794 1.00 0.00 O ATOM 0 H GLU A 57 -5.746 -3.802 -7.425 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.168 -2.221 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.047 -4.766 -8.985 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.700 -4.264 -9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.198 -2.679 -9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.215 -3.538 -11.091 1.00 0.00 H new ATOM 926 N THR A 58 -8.038 -4.993 -6.060 1.00 0.00 N ATOM 927 CA THR A 58 -8.767 -5.803 -5.103 1.00 0.00 C ATOM 928 C THR A 58 -8.735 -5.167 -3.716 1.00 0.00 C ATOM 929 O THR A 58 -9.663 -5.348 -2.928 1.00 0.00 O ATOM 930 CB THR A 58 -8.213 -7.237 -5.045 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.799 -7.213 -4.822 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.512 -7.981 -6.337 1.00 0.00 C ATOM 0 H THR A 58 -7.057 -5.249 -6.171 1.00 0.00 H new ATOM 0 HA THR A 58 -9.803 -5.853 -5.439 1.00 0.00 H new ATOM 0 HB THR A 58 -8.699 -7.756 -4.219 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.353 -6.809 -5.595 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.112 -8.993 -6.275 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.590 -8.026 -6.490 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.049 -7.458 -7.174 1.00 0.00 H new ATOM 940 N LEU A 59 -7.666 -4.419 -3.431 1.00 0.00 N ATOM 941 CA LEU A 59 -7.560 -3.662 -2.191 1.00 0.00 C ATOM 942 C LEU A 59 -8.741 -2.717 -2.056 1.00 0.00 C ATOM 943 O LEU A 59 -8.991 -1.893 -2.940 1.00 0.00 O ATOM 944 CB LEU A 59 -6.269 -2.866 -2.161 1.00 0.00 C ATOM 945 CG LEU A 59 -5.011 -3.713 -2.187 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.788 -2.844 -2.063 1.00 0.00 C ATOM 947 CD2 LEU A 59 -5.049 -4.746 -1.082 1.00 0.00 C ATOM 0 H LEU A 59 -6.860 -4.324 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.561 -4.365 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.254 -2.188 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.258 -2.248 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.963 -4.235 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.895 -3.468 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.757 -2.139 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.826 -2.295 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.140 -5.346 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.119 -4.244 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.916 -5.393 -1.218 1.00 0.00 H new ATOM 959 N LYS A 60 -9.478 -2.855 -0.973 1.00 0.00 N ATOM 960 CA LYS A 60 -10.616 -1.990 -0.716 1.00 0.00 C ATOM 961 C LYS A 60 -10.156 -0.553 -0.503 1.00 0.00 C ATOM 962 O LYS A 60 -9.022 -0.333 -0.067 1.00 0.00 O ATOM 963 CB LYS A 60 -11.391 -2.487 0.506 1.00 0.00 C ATOM 964 CG LYS A 60 -12.117 -3.798 0.267 1.00 0.00 C ATOM 965 CD LYS A 60 -12.785 -4.316 1.532 1.00 0.00 C ATOM 966 CE LYS A 60 -11.757 -4.714 2.581 1.00 0.00 C ATOM 967 NZ LYS A 60 -12.375 -5.408 3.741 1.00 0.00 N ATOM 0 H LYS A 60 -9.311 -3.559 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.275 -2.016 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.700 -2.610 1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.115 -1.728 0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.869 -3.660 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.411 -4.542 -0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.443 -3.548 1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.410 -5.175 1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.011 -5.365 2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.233 -3.824 2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.671 -6.029 4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.705 -4.704 4.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.181 -5.978 3.415 1.00 0.00 H new ATOM 981 N PRO A 61 -11.001 0.444 -0.831 1.00 0.00 N ATOM 982 CA PRO A 61 -10.688 1.854 -0.585 1.00 0.00 C ATOM 983 C PRO A 61 -10.114 2.072 0.812 1.00 0.00 C ATOM 984 O PRO A 61 -9.182 2.857 1.003 1.00 0.00 O ATOM 985 CB PRO A 61 -12.043 2.541 -0.719 1.00 0.00 C ATOM 986 CG PRO A 61 -12.793 1.702 -1.686 1.00 0.00 C ATOM 987 CD PRO A 61 -12.306 0.283 -1.502 1.00 0.00 C ATOM 0 HA PRO A 61 -9.933 2.238 -1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.557 2.595 0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.935 3.563 -1.081 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.866 1.769 -1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.620 2.041 -2.707 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.998 -0.302 -0.896 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.204 -0.232 -2.457 1.00 0.00 H new ATOM 995 N SER A 62 -10.666 1.339 1.773 1.00 0.00 N ATOM 996 CA SER A 62 -10.216 1.381 3.154 1.00 0.00 C ATOM 997 C SER A 62 -8.724 1.079 3.252 1.00 0.00 C ATOM 998 O SER A 62 -7.968 1.822 3.879 1.00 0.00 O ATOM 999 CB SER A 62 -11.001 0.353 3.961 1.00 0.00 C ATOM 1000 OG SER A 62 -12.345 0.291 3.512 1.00 0.00 O ATOM 0 H SER A 62 -11.442 0.697 1.612 1.00 0.00 H new ATOM 0 HA SER A 62 -10.387 2.382 3.550 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.534 -0.627 3.865 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.976 0.616 5.018 1.00 0.00 H new ATOM 0 HG SER A 62 -12.835 -0.374 4.038 1.00 0.00 H new ATOM 1006 N THR A 63 -8.306 -0.013 2.625 1.00 0.00 N ATOM 1007 CA THR A 63 -6.910 -0.403 2.622 1.00 0.00 C ATOM 1008 C THR A 63 -6.089 0.633 1.880 1.00 0.00 C ATOM 1009 O THR A 63 -5.128 1.154 2.420 1.00 0.00 O ATOM 1010 CB THR A 63 -6.723 -1.774 1.945 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.898 -2.573 2.152 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.504 -2.513 2.486 1.00 0.00 C ATOM 0 H THR A 63 -8.920 -0.644 2.111 1.00 0.00 H new ATOM 0 HA THR A 63 -6.575 -0.473 3.657 1.00 0.00 H new ATOM 0 HB THR A 63 -6.564 -1.603 0.880 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.898 -3.324 1.522 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.408 -3.475 1.982 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.608 -1.918 2.306 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.622 -2.675 3.557 1.00 0.00 H new ATOM 1020 N LEU A 64 -6.510 0.959 0.661 1.00 0.00 N ATOM 1021 CA LEU A 64 -5.772 1.879 -0.198 1.00 0.00 C ATOM 1022 C LEU A 64 -5.519 3.212 0.491 1.00 0.00 C ATOM 1023 O LEU A 64 -4.391 3.701 0.506 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.534 2.109 -1.499 1.00 0.00 C ATOM 1025 CG LEU A 64 -6.686 0.885 -2.387 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -7.613 1.192 -3.547 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.328 0.438 -2.889 1.00 0.00 C ATOM 0 H LEU A 64 -7.367 0.595 0.243 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.806 1.423 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.527 2.488 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.025 2.888 -2.066 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.124 0.074 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.714 0.308 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.592 1.479 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.200 2.011 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.446 -0.440 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.869 1.243 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.691 0.189 -2.041 1.00 0.00 H new ATOM 1039 N ARG A 65 -6.564 3.795 1.068 1.00 0.00 N ATOM 1040 CA ARG A 65 -6.425 5.064 1.762 1.00 0.00 C ATOM 1041 C ARG A 65 -5.529 4.915 2.978 1.00 0.00 C ATOM 1042 O ARG A 65 -4.829 5.850 3.352 1.00 0.00 O ATOM 1043 CB ARG A 65 -7.782 5.620 2.170 1.00 0.00 C ATOM 1044 CG ARG A 65 -8.605 6.138 1.003 1.00 0.00 C ATOM 1045 CD ARG A 65 -7.978 7.372 0.370 1.00 0.00 C ATOM 1046 NE ARG A 65 -8.741 7.840 -0.789 1.00 0.00 N ATOM 1047 CZ ARG A 65 -8.260 8.678 -1.713 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -7.028 9.162 -1.607 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.008 9.030 -2.752 1.00 0.00 N ATOM 0 H ARG A 65 -7.509 3.410 1.068 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.963 5.770 1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.345 4.840 2.683 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.633 6.429 2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.703 5.354 0.252 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.611 6.378 1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.918 8.169 1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.957 7.144 0.064 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.699 7.506 -0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.441 8.895 -0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.668 9.801 -2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.954 8.661 -2.848 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.637 9.670 -3.454 1.00 0.00 H new ATOM 1063 N GLU A 66 -5.541 3.739 3.588 1.00 0.00 N ATOM 1064 CA GLU A 66 -4.655 3.465 4.697 1.00 0.00 C ATOM 1065 C GLU A 66 -3.219 3.368 4.198 1.00 0.00 C ATOM 1066 O GLU A 66 -2.345 4.050 4.708 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.065 2.169 5.385 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.147 1.762 6.516 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.325 2.610 7.752 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.428 2.577 8.335 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.370 3.309 8.148 1.00 0.00 O ATOM 0 H GLU A 66 -6.154 2.965 3.331 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.723 4.279 5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.078 2.279 5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.092 1.369 4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.331 0.718 6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.112 1.831 6.180 1.00 0.00 H new ATOM 1078 N LEU A 67 -2.998 2.525 3.187 1.00 0.00 N ATOM 1079 CA LEU A 67 -1.683 2.353 2.570 1.00 0.00 C ATOM 1080 C LEU A 67 -1.096 3.711 2.189 1.00 0.00 C ATOM 1081 O LEU A 67 0.026 4.039 2.565 1.00 0.00 O ATOM 1082 CB LEU A 67 -1.803 1.461 1.321 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.680 0.228 1.500 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.858 -0.489 0.185 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -2.074 -0.709 2.519 1.00 0.00 C ATOM 0 H LEU A 67 -3.726 1.943 2.774 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.017 1.873 3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.203 2.059 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.805 1.140 1.024 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.657 0.554 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.487 -1.367 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.331 0.180 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.885 -0.799 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.714 -1.584 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.086 -1.023 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.985 -0.196 3.477 1.00 0.00 H new ATOM 1097 N GLU A 68 -1.884 4.505 1.468 1.00 0.00 N ATOM 1098 CA GLU A 68 -1.478 5.846 1.057 1.00 0.00 C ATOM 1099 C GLU A 68 -1.135 6.711 2.272 1.00 0.00 C ATOM 1100 O GLU A 68 0.000 7.141 2.442 1.00 0.00 O ATOM 1101 CB GLU A 68 -2.604 6.511 0.260 1.00 0.00 C ATOM 1102 CG GLU A 68 -2.237 7.872 -0.302 1.00 0.00 C ATOM 1103 CD GLU A 68 -3.434 8.618 -0.856 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -4.335 8.972 -0.066 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -3.464 8.880 -2.073 1.00 0.00 O ATOM 0 H GLU A 68 -2.817 4.239 1.154 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.590 5.755 0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.891 5.855 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.478 6.618 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.772 8.470 0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.495 7.747 -1.091 1.00 0.00 H new ATOM 1112 N ARG A 69 -2.124 6.936 3.124 1.00 0.00 N ATOM 1113 CA ARG A 69 -1.963 7.766 4.319 1.00 0.00 C ATOM 1114 C ARG A 69 -0.870 7.233 5.239 1.00 0.00 C ATOM 1115 O ARG A 69 -0.286 7.969 6.037 1.00 0.00 O ATOM 1116 CB ARG A 69 -3.286 7.799 5.068 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.305 8.770 4.496 1.00 0.00 C ATOM 1118 CD ARG A 69 -4.263 10.111 5.204 1.00 0.00 C ATOM 1119 NE ARG A 69 -2.991 10.800 5.010 1.00 0.00 N ATOM 1120 CZ ARG A 69 -2.612 11.870 5.704 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -3.404 12.379 6.642 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -1.439 12.431 5.459 1.00 0.00 N ATOM 0 H ARG A 69 -3.062 6.551 3.011 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.668 8.768 4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.716 6.797 5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.095 8.063 6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.113 8.914 3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.304 8.343 4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.074 10.739 4.836 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.434 9.962 6.270 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.354 10.439 4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.309 11.949 6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.107 13.199 7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.828 12.043 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.145 13.251 5.989 1.00 0.00 H new ATOM 1136 N TYR A 70 -0.598 5.953 5.130 1.00 0.00 N ATOM 1137 CA TYR A 70 0.423 5.336 5.936 1.00 0.00 C ATOM 1138 C TYR A 70 1.792 5.715 5.409 1.00 0.00 C ATOM 1139 O TYR A 70 2.652 6.179 6.156 1.00 0.00 O ATOM 1140 CB TYR A 70 0.269 3.827 5.946 1.00 0.00 C ATOM 1141 CG TYR A 70 1.471 3.140 6.509 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.840 3.306 7.837 1.00 0.00 C ATOM 1143 CD2 TYR A 70 2.254 2.352 5.697 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.966 2.694 8.338 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.379 1.738 6.182 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.735 1.911 7.508 1.00 0.00 C ATOM 1147 OH TYR A 70 4.865 1.306 8.001 1.00 0.00 O ATOM 0 H TYR A 70 -1.073 5.319 4.488 1.00 0.00 H new ATOM 0 HA TYR A 70 0.317 5.695 6.960 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.609 3.557 6.532 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.094 3.475 4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.236 3.923 8.485 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.978 2.215 4.662 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.244 2.827 9.373 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.984 1.123 5.533 1.00 0.00 H new ATOM 0 HH TYR A 70 5.295 0.788 7.289 1.00 0.00 H new ATOM 1157 N VAL A 71 1.994 5.535 4.116 1.00 0.00 N ATOM 1158 CA VAL A 71 3.269 5.874 3.525 1.00 0.00 C ATOM 1159 C VAL A 71 3.514 7.362 3.676 1.00 0.00 C ATOM 1160 O VAL A 71 4.643 7.783 3.853 1.00 0.00 O ATOM 1161 CB VAL A 71 3.372 5.504 2.032 1.00 0.00 C ATOM 1162 CG1 VAL A 71 2.910 4.092 1.770 1.00 0.00 C ATOM 1163 CG2 VAL A 71 2.603 6.464 1.165 1.00 0.00 C ATOM 0 H VAL A 71 1.302 5.162 3.467 1.00 0.00 H new ATOM 0 HA VAL A 71 4.022 5.290 4.055 1.00 0.00 H new ATOM 0 HB VAL A 71 4.428 5.573 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.999 3.872 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.528 3.396 2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.869 3.987 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.701 6.169 0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.551 6.449 1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.000 7.471 1.296 1.00 0.00 H new ATOM 1173 N THR A 72 2.445 8.155 3.647 1.00 0.00 N ATOM 1174 CA THR A 72 2.587 9.594 3.708 1.00 0.00 C ATOM 1175 C THR A 72 3.147 10.028 5.053 1.00 0.00 C ATOM 1176 O THR A 72 3.787 11.073 5.161 1.00 0.00 O ATOM 1177 CB THR A 72 1.266 10.327 3.412 1.00 0.00 C ATOM 1178 OG1 THR A 72 0.241 9.953 4.337 1.00 0.00 O ATOM 1179 CG2 THR A 72 0.824 9.998 2.009 1.00 0.00 C ATOM 0 H THR A 72 1.483 7.822 3.582 1.00 0.00 H new ATOM 0 HA THR A 72 3.293 9.874 2.926 1.00 0.00 H new ATOM 0 HB THR A 72 1.436 11.399 3.515 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.595 9.293 4.969 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.111 10.514 1.792 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.588 10.320 1.302 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.675 8.922 1.917 1.00 0.00 H new ATOM 1187 N SER A 73 2.925 9.202 6.070 1.00 0.00 N ATOM 1188 CA SER A 73 3.470 9.458 7.393 1.00 0.00 C ATOM 1189 C SER A 73 4.982 9.223 7.398 1.00 0.00 C ATOM 1190 O SER A 73 5.690 9.680 8.295 1.00 0.00 O ATOM 1191 CB SER A 73 2.783 8.564 8.428 1.00 0.00 C ATOM 1192 OG SER A 73 3.279 7.236 8.388 1.00 0.00 O ATOM 0 H SER A 73 2.370 8.349 6.000 1.00 0.00 H new ATOM 0 HA SER A 73 3.283 10.499 7.656 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.934 8.979 9.425 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.708 8.556 8.246 1.00 0.00 H new ATOM 0 HG SER A 73 2.770 6.716 7.732 1.00 0.00 H new ATOM 1198 N CYS A 74 5.457 8.463 6.412 1.00 0.00 N ATOM 1199 CA CYS A 74 6.893 8.231 6.234 1.00 0.00 C ATOM 1200 C CYS A 74 7.477 9.095 5.107 1.00 0.00 C ATOM 1201 O CYS A 74 8.664 9.431 5.116 1.00 0.00 O ATOM 1202 CB CYS A 74 7.171 6.746 5.960 1.00 0.00 C ATOM 1203 SG CYS A 74 8.914 6.357 5.666 1.00 0.00 S ATOM 0 H CYS A 74 4.868 7.996 5.722 1.00 0.00 H new ATOM 0 HA CYS A 74 7.385 8.520 7.163 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.818 6.160 6.808 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.590 6.433 5.093 1.00 0.00 H new ATOM 0 HG CYS A 74 9.547 7.438 5.317 1.00 0.00 H new ATOM 1209 N LEU A 75 6.646 9.434 4.128 1.00 0.00 N ATOM 1210 CA LEU A 75 7.115 10.083 2.911 1.00 0.00 C ATOM 1211 C LEU A 75 6.892 11.591 2.936 1.00 0.00 C ATOM 1212 O LEU A 75 7.834 12.368 2.774 1.00 0.00 O ATOM 1213 CB LEU A 75 6.396 9.478 1.702 1.00 0.00 C ATOM 1214 CG LEU A 75 6.464 7.957 1.591 1.00 0.00 C ATOM 1215 CD1 LEU A 75 5.970 7.511 0.229 1.00 0.00 C ATOM 1216 CD2 LEU A 75 7.880 7.455 1.837 1.00 0.00 C ATOM 0 H LEU A 75 5.640 9.269 4.155 1.00 0.00 H new ATOM 0 HA LEU A 75 8.189 9.913 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.348 9.776 1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.819 9.910 0.795 1.00 0.00 H new ATOM 0 HG LEU A 75 5.818 7.527 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.023 6.424 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.938 7.833 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.594 7.954 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.901 6.369 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.554 7.890 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.201 7.747 2.837 1.00 0.00 H new