USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 666 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 84 GLN : amide:sc= -0.3 X(o=0.9,f=0.84) USER MOD Set 1.2: A 88 THR OG1 : rot 76:sc= 1.2 USER MOD Set 2.1: A 20 ASN : amide:sc= 1.23 K(o=1.9,f=-4.3!) USER MOD Set 2.2: A 22 ASN : amide:sc= 0.717 K(o=1.9,f=0.59) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 1.28 (180deg=1.21) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.186 F(o=-0.83,f=-0.19) USER MOD Single : A 25 MET CE :methyl -137:sc= -0.202 (180deg=-0.943) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -52:sc= 1.27 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0283 USER MOD Single : A 49 TYR OH : rot -161:sc= 0.564 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -39:sc= 0.045 USER MOD Single : A 52 HIS : +bothHN:sc= 1.88 K(o=1.9,f=-10!) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= 0.708 (180deg=-0.361!) USER MOD Single : A 59 ASN : amide:sc= -0.856 X(o=-0.86,f=-0.79) USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 0.927 (180deg=0.704) USER MOD Single : A 63 TYR OH : rot -99:sc= 1.09 USER MOD Single : A 65 MET CE :methyl -115:sc= -0.504 (180deg=-1.39) USER MOD Single : A 71 GLN : amide:sc= -0.571 K(o=-0.57,f=-1.2) USER MOD Single : A 73 TYR OH : rot 180:sc=-0.00117 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= -0.09 (180deg=-0.409) USER MOD Single : A 76 LYS NZ :NH3+ -169:sc=-0.00617 (180deg=-0.12) USER MOD Single : A 81 ASN : amide:sc= -0.0225 X(o=-0.023,f=-0.39) USER MOD Single : A 83 ASN : amide:sc= -3.02! C(o=-3!,f=-5.6!) USER MOD Single : A 89 THR OG1 : rot -104:sc= 0.904 USER MOD ----------------------------------------------------------------- ATOM 84 N ASP A 6 -8.696 9.077 5.918 1.00 0.00 N ATOM 85 CA ASP A 6 -9.280 7.867 5.400 1.00 0.00 C ATOM 86 C ASP A 6 -9.449 6.812 6.490 1.00 0.00 C ATOM 87 O ASP A 6 -8.487 6.491 7.200 1.00 0.00 O ATOM 88 CB ASP A 6 -8.435 7.306 4.283 1.00 0.00 C ATOM 89 CG ASP A 6 -9.250 6.411 3.426 1.00 0.00 C ATOM 90 OD1 ASP A 6 -9.388 5.240 3.744 1.00 0.00 O ATOM 91 OD2 ASP A 6 -9.820 6.905 2.428 1.00 0.00 O ATOM 0 HA ASP A 6 -10.267 8.124 5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.023 8.119 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.590 6.755 4.697 1.00 0.00 H new ATOM 96 N PRO A 7 -10.669 6.247 6.647 1.00 0.00 N ATOM 97 CA PRO A 7 -10.949 5.219 7.663 1.00 0.00 C ATOM 98 C PRO A 7 -10.216 3.907 7.383 1.00 0.00 C ATOM 99 O PRO A 7 -9.873 3.164 8.306 1.00 0.00 O ATOM 100 CB PRO A 7 -12.466 4.986 7.555 1.00 0.00 C ATOM 101 CG PRO A 7 -12.995 6.115 6.742 1.00 0.00 C ATOM 102 CD PRO A 7 -11.876 6.569 5.859 1.00 0.00 C ATOM 0 HA PRO A 7 -10.618 5.545 8.649 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.681 4.029 7.081 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.929 4.964 8.541 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.852 5.796 6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.336 6.928 7.383 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.882 6.048 4.902 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.942 7.635 5.642 1.00 0.00 H new ATOM 110 N GLU A 8 -9.930 3.644 6.125 1.00 0.00 N ATOM 111 CA GLU A 8 -9.296 2.402 5.756 1.00 0.00 C ATOM 112 C GLU A 8 -7.821 2.469 6.152 1.00 0.00 C ATOM 113 O GLU A 8 -7.186 1.456 6.447 1.00 0.00 O ATOM 114 CB GLU A 8 -9.463 2.140 4.247 1.00 0.00 C ATOM 115 CG GLU A 8 -10.900 2.304 3.727 1.00 0.00 C ATOM 116 CD GLU A 8 -11.904 1.342 4.327 1.00 0.00 C ATOM 117 OE1 GLU A 8 -12.185 1.419 5.525 1.00 0.00 O ATOM 118 OE2 GLU A 8 -12.467 0.508 3.584 1.00 0.00 O ATOM 0 H GLU A 8 -10.127 4.272 5.346 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.767 1.571 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.812 2.821 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.124 1.128 4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.230 3.323 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.897 2.176 2.645 1.00 0.00 H new ATOM 125 N PHE A 9 -7.310 3.692 6.227 1.00 0.00 N ATOM 126 CA PHE A 9 -5.927 3.945 6.595 1.00 0.00 C ATOM 127 C PHE A 9 -5.679 3.642 8.080 1.00 0.00 C ATOM 128 O PHE A 9 -4.625 3.088 8.448 1.00 0.00 O ATOM 129 CB PHE A 9 -5.532 5.391 6.259 1.00 0.00 C ATOM 130 CG PHE A 9 -4.091 5.714 6.547 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.106 5.384 5.638 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.726 6.347 7.724 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.786 5.676 5.894 1.00 0.00 C ATOM 134 CE2 PHE A 9 -2.406 6.640 7.985 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.434 6.306 7.071 1.00 0.00 C ATOM 0 H PHE A 9 -7.847 4.537 6.033 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.298 3.273 6.011 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.731 5.575 5.203 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.167 6.071 6.827 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.374 4.891 4.715 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.485 6.614 8.445 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.025 5.412 5.174 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.134 7.132 8.907 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.398 6.536 7.273 1.00 0.00 H new ATOM 145 N VAL A 10 -6.633 3.993 8.940 1.00 0.00 N ATOM 146 CA VAL A 10 -6.490 3.701 10.362 1.00 0.00 C ATOM 147 C VAL A 10 -6.569 2.185 10.586 1.00 0.00 C ATOM 148 O VAL A 10 -5.883 1.628 11.453 1.00 0.00 O ATOM 149 CB VAL A 10 -7.488 4.489 11.282 1.00 0.00 C ATOM 150 CG1 VAL A 10 -8.931 4.062 11.103 1.00 0.00 C ATOM 151 CG2 VAL A 10 -7.064 4.414 12.744 1.00 0.00 C ATOM 0 H VAL A 10 -7.497 4.471 8.683 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.506 4.059 10.666 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.440 5.530 10.963 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.568 4.645 11.768 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.235 4.230 10.070 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.030 3.003 11.343 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.774 4.969 13.358 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.044 3.372 13.064 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.070 4.847 12.857 1.00 0.00 H new ATOM 161 N LYS A 11 -7.391 1.518 9.779 1.00 0.00 N ATOM 162 CA LYS A 11 -7.470 0.065 9.795 1.00 0.00 C ATOM 163 C LYS A 11 -6.122 -0.505 9.390 1.00 0.00 C ATOM 164 O LYS A 11 -5.628 -1.448 10.000 1.00 0.00 O ATOM 165 CB LYS A 11 -8.545 -0.435 8.840 1.00 0.00 C ATOM 166 CG LYS A 11 -9.954 -0.002 9.185 1.00 0.00 C ATOM 167 CD LYS A 11 -10.920 -0.456 8.113 1.00 0.00 C ATOM 168 CE LYS A 11 -12.336 -0.004 8.394 1.00 0.00 C ATOM 169 NZ LYS A 11 -13.230 -0.298 7.253 1.00 0.00 N ATOM 0 H LYS A 11 -8.012 1.965 9.105 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.732 -0.263 10.801 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.309 -0.086 7.835 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.511 -1.524 8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.245 -0.422 10.148 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.994 1.083 9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.600 -0.064 7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.895 -1.543 8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.709 -0.503 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.344 1.067 8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.168 0.113 7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.832 0.114 6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.319 -1.328 7.138 1.00 0.00 H new ATOM 183 N LEU A 12 -5.519 0.111 8.374 1.00 0.00 N ATOM 184 CA LEU A 12 -4.202 -0.269 7.922 1.00 0.00 C ATOM 185 C LEU A 12 -3.176 -0.184 9.019 1.00 0.00 C ATOM 186 O LEU A 12 -2.400 -1.083 9.152 1.00 0.00 O ATOM 187 CB LEU A 12 -3.721 0.531 6.718 1.00 0.00 C ATOM 188 CG LEU A 12 -4.389 0.253 5.382 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.838 1.204 4.348 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.119 -1.183 4.948 1.00 0.00 C ATOM 0 H LEU A 12 -5.935 0.881 7.851 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.307 -1.309 7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.848 1.590 6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.651 0.356 6.603 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.465 0.394 5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.313 1.011 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.041 2.231 4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.762 1.059 4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.603 -1.370 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.045 -1.337 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.516 -1.870 5.695 1.00 0.00 H new ATOM 202 N ARG A 13 -3.175 0.892 9.815 1.00 0.00 N ATOM 203 CA ARG A 13 -2.187 1.010 10.914 1.00 0.00 C ATOM 204 C ARG A 13 -2.267 -0.144 11.895 1.00 0.00 C ATOM 205 O ARG A 13 -1.257 -0.598 12.415 1.00 0.00 O ATOM 206 CB ARG A 13 -2.207 2.371 11.635 1.00 0.00 C ATOM 207 CG ARG A 13 -1.535 3.461 10.827 1.00 0.00 C ATOM 208 CD ARG A 13 -1.252 4.720 11.626 1.00 0.00 C ATOM 209 NE ARG A 13 -2.456 5.544 11.888 1.00 0.00 N ATOM 210 CZ ARG A 13 -2.751 6.167 13.062 1.00 0.00 C ATOM 211 NH1 ARG A 13 -2.169 5.784 14.208 1.00 0.00 N ATOM 212 NH2 ARG A 13 -3.697 7.102 13.098 1.00 0.00 N ATOM 0 H ARG A 13 -3.822 1.676 9.731 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.217 0.953 10.419 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.239 2.657 11.838 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.707 2.276 12.599 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.598 3.078 10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.168 3.715 9.977 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.799 4.441 12.578 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.520 5.323 11.089 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.121 5.654 11.122 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.496 5.017 14.207 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.399 6.259 15.081 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.200 7.351 12.247 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.919 7.569 13.977 1.00 0.00 H new ATOM 226 N GLN A 14 -3.452 -0.648 12.082 1.00 0.00 N ATOM 227 CA GLN A 14 -3.677 -1.781 12.949 1.00 0.00 C ATOM 228 C GLN A 14 -3.208 -3.080 12.258 1.00 0.00 C ATOM 229 O GLN A 14 -2.676 -4.005 12.892 1.00 0.00 O ATOM 230 CB GLN A 14 -5.166 -1.846 13.291 1.00 0.00 C ATOM 231 CG GLN A 14 -5.667 -0.604 14.023 1.00 0.00 C ATOM 232 CD GLN A 14 -7.174 -0.551 14.145 1.00 0.00 C ATOM 233 OE1 GLN A 14 -7.815 0.095 13.204 1.00 0.00 O flip ATOM 234 NE2 GLN A 14 -7.753 -1.060 15.107 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.297 -0.287 11.638 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.103 -1.670 13.869 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.738 -1.975 12.372 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.353 -2.725 13.909 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.227 -0.576 15.020 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.320 0.285 13.496 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.218 -1.556 15.820 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.767 -0.986 15.190 1.00 0.00 H new ATOM 314 N VAL A 19 3.461 -7.671 7.402 1.00 0.00 N ATOM 315 CA VAL A 19 3.886 -7.752 6.013 1.00 0.00 C ATOM 316 C VAL A 19 5.350 -7.297 5.933 1.00 0.00 C ATOM 317 O VAL A 19 5.871 -6.723 6.907 1.00 0.00 O ATOM 318 CB VAL A 19 2.998 -6.844 5.084 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.524 -7.119 5.314 1.00 0.00 C ATOM 320 CG2 VAL A 19 3.280 -5.367 5.313 1.00 0.00 C ATOM 0 HA VAL A 19 3.778 -8.780 5.667 1.00 0.00 H new ATOM 0 HB VAL A 19 3.254 -7.090 4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.929 -6.480 4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.310 -8.165 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.273 -6.910 6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.649 -4.770 4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.065 -5.112 6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.328 -5.159 5.098 1.00 0.00 H new ATOM 330 N ASN A 20 5.999 -7.519 4.800 1.00 0.00 N ATOM 331 CA ASN A 20 7.403 -7.136 4.645 1.00 0.00 C ATOM 332 C ASN A 20 7.488 -5.762 4.012 1.00 0.00 C ATOM 333 O ASN A 20 6.751 -5.466 3.071 1.00 0.00 O ATOM 334 CB ASN A 20 8.153 -8.116 3.740 1.00 0.00 C ATOM 335 CG ASN A 20 9.663 -7.949 3.821 1.00 0.00 C ATOM 336 OD1 ASN A 20 10.262 -7.151 3.092 1.00 0.00 O ATOM 337 ND2 ASN A 20 10.281 -8.702 4.682 1.00 0.00 N ATOM 0 H ASN A 20 5.584 -7.958 3.978 1.00 0.00 H new ATOM 0 HA ASN A 20 7.856 -7.141 5.636 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.889 -9.136 4.018 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.830 -7.972 2.709 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.295 -8.646 4.773 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.751 -9.349 5.266 1.00 0.00 H new ATOM 344 N PHE A 21 8.396 -4.942 4.499 1.00 0.00 N ATOM 345 CA PHE A 21 8.596 -3.597 3.980 1.00 0.00 C ATOM 346 C PHE A 21 9.008 -3.613 2.518 1.00 0.00 C ATOM 347 O PHE A 21 8.467 -2.862 1.700 1.00 0.00 O ATOM 348 CB PHE A 21 9.648 -2.841 4.816 1.00 0.00 C ATOM 349 CG PHE A 21 10.057 -1.511 4.222 1.00 0.00 C ATOM 350 CD1 PHE A 21 9.275 -0.391 4.390 1.00 0.00 C ATOM 351 CD2 PHE A 21 11.218 -1.403 3.470 1.00 0.00 C ATOM 352 CE1 PHE A 21 9.639 0.814 3.829 1.00 0.00 C ATOM 353 CE2 PHE A 21 11.585 -0.204 2.902 1.00 0.00 C ATOM 354 CZ PHE A 21 10.795 0.906 3.082 1.00 0.00 C ATOM 0 H PHE A 21 9.020 -5.186 5.268 1.00 0.00 H new ATOM 0 HA PHE A 21 7.641 -3.077 4.054 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.252 -2.675 5.818 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.533 -3.468 4.923 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.365 -0.457 4.968 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.843 -2.272 3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.019 1.686 3.974 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.490 -0.136 2.317 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.079 1.849 2.639 1.00 0.00 H new ATOM 364 N ASN A 22 9.923 -4.501 2.186 1.00 0.00 N ATOM 365 CA ASN A 22 10.508 -4.527 0.847 1.00 0.00 C ATOM 366 C ASN A 22 9.492 -5.027 -0.125 1.00 0.00 C ATOM 367 O ASN A 22 9.450 -4.604 -1.273 1.00 0.00 O ATOM 368 CB ASN A 22 11.761 -5.416 0.782 1.00 0.00 C ATOM 369 CG ASN A 22 12.804 -5.058 1.820 1.00 0.00 C ATOM 370 OD1 ASN A 22 13.645 -4.182 1.609 1.00 0.00 O ATOM 371 ND2 ASN A 22 12.784 -5.750 2.932 1.00 0.00 N ATOM 0 H ASN A 22 10.282 -5.216 2.819 1.00 0.00 H new ATOM 0 HA ASN A 22 10.810 -3.511 0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.467 -6.457 0.917 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.204 -5.336 -0.211 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.479 -5.571 3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.073 -6.468 3.073 1.00 0.00 H new ATOM 378 N LEU A 23 8.639 -5.889 0.373 1.00 0.00 N ATOM 379 CA LEU A 23 7.599 -6.473 -0.411 1.00 0.00 C ATOM 380 C LEU A 23 6.555 -5.438 -0.758 1.00 0.00 C ATOM 381 O LEU A 23 6.189 -5.304 -1.907 1.00 0.00 O ATOM 382 CB LEU A 23 6.979 -7.650 0.323 1.00 0.00 C ATOM 383 CG LEU A 23 5.877 -8.388 -0.414 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.358 -8.800 -1.796 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.440 -9.603 0.393 1.00 0.00 C ATOM 0 H LEU A 23 8.655 -6.202 1.344 1.00 0.00 H new ATOM 0 HA LEU A 23 8.029 -6.844 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.770 -8.362 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.578 -7.291 1.271 1.00 0.00 H new ATOM 0 HG LEU A 23 5.019 -7.727 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.560 -9.329 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.636 -7.912 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.224 -9.455 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.649 -10.129 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.290 -10.271 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.069 -9.280 1.365 1.00 0.00 H new ATOM 397 N VAL A 24 6.115 -4.679 0.233 1.00 0.00 N ATOM 398 CA VAL A 24 5.120 -3.644 -0.002 1.00 0.00 C ATOM 399 C VAL A 24 5.684 -2.592 -0.932 1.00 0.00 C ATOM 400 O VAL A 24 5.015 -2.162 -1.861 1.00 0.00 O ATOM 401 CB VAL A 24 4.647 -2.997 1.307 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.639 -1.884 1.052 1.00 0.00 C ATOM 403 CG2 VAL A 24 4.059 -4.046 2.208 1.00 0.00 C ATOM 0 H VAL A 24 6.428 -4.759 1.201 1.00 0.00 H new ATOM 0 HA VAL A 24 4.252 -4.114 -0.465 1.00 0.00 H new ATOM 0 HB VAL A 24 5.511 -2.546 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.328 -1.450 2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.098 -1.112 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.769 -2.292 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.724 -3.583 3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.211 -4.518 1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.814 -4.800 2.431 1.00 0.00 H new ATOM 413 N MET A 25 6.945 -2.223 -0.702 1.00 0.00 N ATOM 414 CA MET A 25 7.647 -1.280 -1.570 1.00 0.00 C ATOM 415 C MET A 25 7.642 -1.800 -2.991 1.00 0.00 C ATOM 416 O MET A 25 7.349 -1.065 -3.916 1.00 0.00 O ATOM 417 CB MET A 25 9.087 -1.038 -1.054 1.00 0.00 C ATOM 418 CG MET A 25 9.968 -0.097 -1.907 1.00 0.00 C ATOM 419 SD MET A 25 10.656 -0.843 -3.418 1.00 0.00 S ATOM 420 CE MET A 25 11.603 -2.206 -2.731 1.00 0.00 C ATOM 0 H MET A 25 7.502 -2.565 0.081 1.00 0.00 H new ATOM 0 HA MET A 25 7.132 -0.319 -1.556 1.00 0.00 H new ATOM 0 HB2 MET A 25 9.025 -0.629 -0.045 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.590 -2.002 -0.977 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.376 0.774 -2.188 1.00 0.00 H new ATOM 0 HG3 MET A 25 10.792 0.262 -1.290 1.00 0.00 H new ATOM 0 HE1 MET A 25 12.568 -2.268 -3.233 1.00 0.00 H new ATOM 0 HE2 MET A 25 11.759 -2.040 -1.665 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.057 -3.138 -2.877 1.00 0.00 H new ATOM 430 N GLN A 26 7.907 -3.081 -3.130 1.00 0.00 N ATOM 431 CA GLN A 26 7.924 -3.745 -4.411 1.00 0.00 C ATOM 432 C GLN A 26 6.523 -3.762 -5.039 1.00 0.00 C ATOM 433 O GLN A 26 6.390 -3.520 -6.209 1.00 0.00 O ATOM 434 CB GLN A 26 8.474 -5.164 -4.261 1.00 0.00 C ATOM 435 CG GLN A 26 8.456 -6.003 -5.525 1.00 0.00 C ATOM 436 CD GLN A 26 8.928 -7.423 -5.280 1.00 0.00 C ATOM 437 OE1 GLN A 26 8.765 -7.983 -4.189 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.505 -8.019 -6.270 1.00 0.00 N ATOM 0 H GLN A 26 8.119 -3.697 -2.345 1.00 0.00 H new ATOM 0 HA GLN A 26 8.580 -3.189 -5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.501 -5.102 -3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.897 -5.680 -3.494 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.444 -6.024 -5.930 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.091 -5.536 -6.277 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.626 -7.532 -7.158 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.840 -8.977 -6.164 1.00 0.00 H new ATOM 447 N ILE A 27 5.496 -4.052 -4.249 1.00 0.00 N ATOM 448 CA ILE A 27 4.101 -4.037 -4.736 1.00 0.00 C ATOM 449 C ILE A 27 3.757 -2.656 -5.272 1.00 0.00 C ATOM 450 O ILE A 27 3.281 -2.506 -6.409 1.00 0.00 O ATOM 451 CB ILE A 27 3.093 -4.399 -3.598 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.348 -5.814 -3.077 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.633 -4.247 -4.059 1.00 0.00 C ATOM 454 CD1 ILE A 27 3.191 -6.893 -4.113 1.00 0.00 C ATOM 0 H ILE A 27 5.592 -4.302 -3.265 1.00 0.00 H new ATOM 0 HA ILE A 27 4.019 -4.783 -5.526 1.00 0.00 H new ATOM 0 HB ILE A 27 3.256 -3.694 -2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.358 -5.862 -2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.662 -6.014 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.964 -4.508 -3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.452 -3.215 -4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.447 -4.910 -4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.390 -7.864 -3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.174 -6.876 -4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.896 -6.721 -4.927 1.00 0.00 H new ATOM 466 N LEU A 28 4.048 -1.659 -4.460 1.00 0.00 N ATOM 467 CA LEU A 28 3.807 -0.271 -4.790 1.00 0.00 C ATOM 468 C LEU A 28 4.613 0.128 -6.016 1.00 0.00 C ATOM 469 O LEU A 28 4.151 0.878 -6.855 1.00 0.00 O ATOM 470 CB LEU A 28 4.195 0.608 -3.605 1.00 0.00 C ATOM 471 CG LEU A 28 3.451 0.343 -2.290 1.00 0.00 C ATOM 472 CD1 LEU A 28 4.040 1.174 -1.180 1.00 0.00 C ATOM 473 CD2 LEU A 28 1.964 0.625 -2.429 1.00 0.00 C ATOM 0 H LEU A 28 4.465 -1.794 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 28 2.748 -0.137 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.263 0.487 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.035 1.649 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 28 3.570 -0.712 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.502 0.976 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.092 0.917 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.953 2.231 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.466 0.427 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.816 1.669 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.542 -0.019 -3.201 1.00 0.00 H new ATOM 485 N ASP A 29 5.803 -0.414 -6.118 1.00 0.00 N ATOM 486 CA ASP A 29 6.699 -0.131 -7.226 1.00 0.00 C ATOM 487 C ASP A 29 6.195 -0.785 -8.490 1.00 0.00 C ATOM 488 O ASP A 29 6.108 -0.156 -9.533 1.00 0.00 O ATOM 489 CB ASP A 29 8.086 -0.678 -6.934 1.00 0.00 C ATOM 490 CG ASP A 29 9.108 -0.177 -7.916 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.518 0.998 -7.807 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.560 -0.949 -8.780 1.00 0.00 O ATOM 0 H ASP A 29 6.184 -1.068 -5.434 1.00 0.00 H new ATOM 0 HA ASP A 29 6.740 0.951 -7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.383 -0.393 -5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.059 -1.767 -6.963 1.00 0.00 H new ATOM 497 N GLU A 30 5.844 -2.050 -8.366 1.00 0.00 N ATOM 498 CA GLU A 30 5.388 -2.887 -9.467 1.00 0.00 C ATOM 499 C GLU A 30 4.121 -2.274 -10.120 1.00 0.00 C ATOM 500 O GLU A 30 3.987 -2.248 -11.361 1.00 0.00 O ATOM 501 CB GLU A 30 5.120 -4.322 -8.945 1.00 0.00 C ATOM 502 CG GLU A 30 5.438 -5.441 -9.938 1.00 0.00 C ATOM 503 CD GLU A 30 5.111 -6.834 -9.404 1.00 0.00 C ATOM 504 OE1 GLU A 30 5.788 -7.319 -8.468 1.00 0.00 O ATOM 505 OE2 GLU A 30 4.204 -7.493 -9.950 1.00 0.00 O ATOM 0 H GLU A 30 5.868 -2.541 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 30 6.160 -2.938 -10.234 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.709 -4.480 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.071 -4.398 -8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.878 -5.271 -10.857 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.496 -5.398 -10.197 1.00 0.00 H new ATOM 512 N ILE A 31 3.205 -1.759 -9.295 1.00 0.00 N ATOM 513 CA ILE A 31 2.011 -1.094 -9.827 1.00 0.00 C ATOM 514 C ILE A 31 2.389 0.272 -10.414 1.00 0.00 C ATOM 515 O ILE A 31 1.917 0.645 -11.488 1.00 0.00 O ATOM 516 CB ILE A 31 0.863 -0.909 -8.766 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.304 -0.015 -7.606 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.395 -2.257 -8.243 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.221 0.314 -6.618 1.00 0.00 C ATOM 0 H ILE A 31 3.263 -1.788 -8.277 1.00 0.00 H new ATOM 0 HA ILE A 31 1.618 -1.751 -10.603 1.00 0.00 H new ATOM 0 HB ILE A 31 0.031 -0.416 -9.269 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.122 -0.506 -7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.700 0.915 -8.013 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.399 -2.108 -7.511 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.017 -2.857 -9.071 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.231 -2.774 -7.772 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.627 0.951 -5.832 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.589 0.836 -7.127 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.161 -0.607 -6.177 1.00 0.00 H new ATOM 531 N GLU A 32 3.287 0.981 -9.719 1.00 0.00 N ATOM 532 CA GLU A 32 3.739 2.305 -10.109 1.00 0.00 C ATOM 533 C GLU A 32 4.408 2.273 -11.463 1.00 0.00 C ATOM 534 O GLU A 32 4.099 3.083 -12.320 1.00 0.00 O ATOM 535 CB GLU A 32 4.700 2.870 -9.061 1.00 0.00 C ATOM 536 CG GLU A 32 5.269 4.232 -9.391 1.00 0.00 C ATOM 537 CD GLU A 32 6.185 4.749 -8.309 1.00 0.00 C ATOM 538 OE1 GLU A 32 5.713 5.414 -7.375 1.00 0.00 O ATOM 539 OE2 GLU A 32 7.398 4.496 -8.377 1.00 0.00 O ATOM 0 H GLU A 32 3.720 0.640 -8.861 1.00 0.00 H new ATOM 0 HA GLU A 32 2.865 2.953 -10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.178 2.931 -8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.525 2.169 -8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.817 4.176 -10.331 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.452 4.938 -9.540 1.00 0.00 H new ATOM 546 N LEU A 33 5.309 1.324 -11.648 1.00 0.00 N ATOM 547 CA LEU A 33 6.040 1.192 -12.894 1.00 0.00 C ATOM 548 C LEU A 33 5.126 0.862 -14.070 1.00 0.00 C ATOM 549 O LEU A 33 5.418 1.237 -15.209 1.00 0.00 O ATOM 550 CB LEU A 33 7.254 0.224 -12.762 1.00 0.00 C ATOM 551 CG LEU A 33 6.997 -1.258 -12.388 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.474 -2.073 -13.560 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.253 -1.892 -11.817 1.00 0.00 C ATOM 0 H LEU A 33 5.553 0.628 -10.943 1.00 0.00 H new ATOM 0 HA LEU A 33 6.464 2.170 -13.120 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.789 0.236 -13.712 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.927 0.641 -12.012 1.00 0.00 H new ATOM 0 HG LEU A 33 6.219 -1.261 -11.625 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.311 -3.103 -13.243 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.533 -1.647 -13.908 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.203 -2.054 -14.371 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.051 -2.932 -11.561 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.051 -1.849 -12.558 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.559 -1.351 -10.922 1.00 0.00 H new ATOM 565 N ASP A 34 4.022 0.159 -13.811 1.00 0.00 N ATOM 566 CA ASP A 34 3.063 -0.081 -14.886 1.00 0.00 C ATOM 567 C ASP A 34 2.277 1.179 -15.170 1.00 0.00 C ATOM 568 O ASP A 34 2.238 1.640 -16.309 1.00 0.00 O ATOM 569 CB ASP A 34 2.084 -1.228 -14.589 1.00 0.00 C ATOM 570 CG ASP A 34 1.060 -1.392 -15.720 1.00 0.00 C ATOM 571 OD1 ASP A 34 1.369 -2.067 -16.722 1.00 0.00 O ATOM 572 OD2 ASP A 34 -0.043 -0.810 -15.643 1.00 0.00 O ATOM 0 H ASP A 34 3.777 -0.239 -12.904 1.00 0.00 H new ATOM 0 HA ASP A 34 3.650 -0.376 -15.756 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.638 -2.158 -14.459 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.565 -1.033 -13.651 1.00 0.00 H new ATOM 577 N LEU A 35 1.729 1.770 -14.108 1.00 0.00 N ATOM 578 CA LEU A 35 0.885 2.973 -14.181 1.00 0.00 C ATOM 579 C LEU A 35 1.639 4.155 -14.781 1.00 0.00 C ATOM 580 O LEU A 35 1.048 5.030 -15.433 1.00 0.00 O ATOM 581 CB LEU A 35 0.374 3.333 -12.780 1.00 0.00 C ATOM 582 CG LEU A 35 -0.481 4.599 -12.661 1.00 0.00 C ATOM 583 CD1 LEU A 35 -1.769 4.475 -13.457 1.00 0.00 C ATOM 584 CD2 LEU A 35 -0.771 4.904 -11.208 1.00 0.00 C ATOM 0 H LEU A 35 1.858 1.425 -13.157 1.00 0.00 H new ATOM 0 HA LEU A 35 0.041 2.752 -14.835 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.210 2.492 -12.405 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.236 3.442 -12.122 1.00 0.00 H new ATOM 0 HG LEU A 35 0.085 5.429 -13.083 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.352 5.390 -13.351 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.533 4.315 -14.509 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.348 3.631 -13.083 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.379 5.806 -11.140 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.310 4.068 -10.761 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.167 5.058 -10.674 1.00 0.00 H new ATOM 664 N ILE A 41 -4.738 2.642 -12.897 1.00 0.00 N ATOM 665 CA ILE A 41 -4.059 2.103 -11.742 1.00 0.00 C ATOM 666 C ILE A 41 -4.716 0.817 -11.236 1.00 0.00 C ATOM 667 O ILE A 41 -4.027 -0.076 -10.768 1.00 0.00 O ATOM 668 CB ILE A 41 -3.941 3.144 -10.579 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.189 2.539 -9.375 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.311 3.666 -10.165 1.00 0.00 C ATOM 671 CD1 ILE A 41 -3.012 3.476 -8.207 1.00 0.00 C ATOM 0 HA ILE A 41 -3.050 1.861 -12.077 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.363 3.992 -10.946 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.727 1.654 -9.035 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.206 2.206 -9.708 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.196 4.387 -9.356 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.789 4.150 -11.017 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.930 2.835 -9.826 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.474 2.965 -7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.445 4.351 -8.525 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.990 3.791 -7.842 1.00 0.00 H new ATOM 683 N LYS A 42 -6.040 0.684 -11.383 1.00 0.00 N ATOM 684 CA LYS A 42 -6.699 -0.509 -10.852 1.00 0.00 C ATOM 685 C LYS A 42 -6.350 -1.712 -11.694 1.00 0.00 C ATOM 686 O LYS A 42 -6.297 -2.833 -11.207 1.00 0.00 O ATOM 687 CB LYS A 42 -8.220 -0.356 -10.685 1.00 0.00 C ATOM 688 CG LYS A 42 -9.044 -0.253 -11.955 1.00 0.00 C ATOM 689 CD LYS A 42 -10.519 -0.127 -11.622 1.00 0.00 C ATOM 690 CE LYS A 42 -11.380 -0.123 -12.872 1.00 0.00 C ATOM 691 NZ LYS A 42 -12.820 -0.083 -12.550 1.00 0.00 N ATOM 0 H LYS A 42 -6.652 1.357 -11.845 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.317 -0.656 -9.842 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.586 -1.208 -10.112 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.407 0.535 -10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.721 0.611 -12.536 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.879 -1.134 -12.575 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.818 -0.953 -10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.688 0.792 -11.061 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.122 0.739 -13.488 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.165 -1.013 -13.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.373 -0.082 -13.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.073 -0.918 -11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.031 0.779 -12.008 1.00 0.00 H new ATOM 705 N THR A 43 -6.078 -1.457 -12.940 1.00 0.00 N ATOM 706 CA THR A 43 -5.643 -2.468 -13.846 1.00 0.00 C ATOM 707 C THR A 43 -4.185 -2.831 -13.523 1.00 0.00 C ATOM 708 O THR A 43 -3.816 -4.013 -13.519 1.00 0.00 O ATOM 709 CB THR A 43 -5.783 -1.968 -15.280 1.00 0.00 C ATOM 710 OG1 THR A 43 -7.114 -1.433 -15.430 1.00 0.00 O ATOM 711 CG2 THR A 43 -5.597 -3.107 -16.266 1.00 0.00 C ATOM 0 H THR A 43 -6.154 -0.529 -13.356 1.00 0.00 H new ATOM 0 HA THR A 43 -6.259 -3.361 -13.741 1.00 0.00 H new ATOM 0 HB THR A 43 -5.025 -1.211 -15.480 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.232 -1.102 -16.345 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.701 -2.729 -17.283 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.605 -3.539 -16.139 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.352 -3.872 -16.085 1.00 0.00 H new ATOM 719 N SER A 44 -3.372 -1.810 -13.216 1.00 0.00 N ATOM 720 CA SER A 44 -2.000 -2.020 -12.766 1.00 0.00 C ATOM 721 C SER A 44 -1.986 -2.912 -11.496 1.00 0.00 C ATOM 722 O SER A 44 -1.151 -3.826 -11.363 1.00 0.00 O ATOM 723 CB SER A 44 -1.334 -0.671 -12.486 1.00 0.00 C ATOM 724 OG SER A 44 -1.451 0.186 -13.612 1.00 0.00 O ATOM 0 H SER A 44 -3.648 -0.830 -13.273 1.00 0.00 H new ATOM 0 HA SER A 44 -1.439 -2.530 -13.549 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.797 -0.204 -11.617 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.282 -0.822 -12.244 1.00 0.00 H new ATOM 0 HG SER A 44 -1.127 -0.279 -14.412 1.00 0.00 H new ATOM 730 N ILE A 45 -2.950 -2.650 -10.595 1.00 0.00 N ATOM 731 CA ILE A 45 -3.163 -3.438 -9.372 1.00 0.00 C ATOM 732 C ILE A 45 -3.334 -4.920 -9.729 1.00 0.00 C ATOM 733 O ILE A 45 -2.683 -5.793 -9.140 1.00 0.00 O ATOM 734 CB ILE A 45 -4.449 -2.947 -8.600 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.304 -1.503 -8.073 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.844 -3.891 -7.471 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.195 -1.301 -7.061 1.00 0.00 C ATOM 0 H ILE A 45 -3.608 -1.878 -10.698 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.292 -3.305 -8.731 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.254 -2.953 -9.335 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.129 -0.839 -8.919 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.248 -1.200 -7.620 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.734 -3.508 -6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.054 -4.879 -7.880 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.027 -3.961 -6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.172 -0.256 -6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.375 -1.934 -6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.239 -1.567 -7.511 1.00 0.00 H new ATOM 749 N ILE A 46 -4.175 -5.172 -10.728 1.00 0.00 N ATOM 750 CA ILE A 46 -4.504 -6.517 -11.180 1.00 0.00 C ATOM 751 C ILE A 46 -3.264 -7.346 -11.500 1.00 0.00 C ATOM 752 O ILE A 46 -3.116 -8.447 -10.974 1.00 0.00 O ATOM 753 CB ILE A 46 -5.455 -6.499 -12.414 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.808 -5.875 -12.043 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.636 -7.899 -12.999 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.805 -5.820 -13.183 1.00 0.00 C ATOM 0 H ILE A 46 -4.652 -4.438 -11.252 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.021 -6.990 -10.345 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.994 -5.881 -13.185 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.244 -6.444 -11.222 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.639 -4.863 -11.675 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.305 -7.851 -13.858 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.668 -8.290 -13.314 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.064 -8.557 -12.243 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.732 -5.365 -12.834 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.393 -5.225 -13.998 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.008 -6.830 -13.538 1.00 0.00 H new ATOM 768 N TYR A 47 -2.354 -6.794 -12.312 1.00 0.00 N ATOM 769 CA TYR A 47 -1.168 -7.543 -12.758 1.00 0.00 C ATOM 770 C TYR A 47 -0.366 -8.009 -11.575 1.00 0.00 C ATOM 771 O TYR A 47 -0.045 -9.193 -11.448 1.00 0.00 O ATOM 772 CB TYR A 47 -0.239 -6.697 -13.629 1.00 0.00 C ATOM 773 CG TYR A 47 -0.903 -5.973 -14.746 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.571 -6.647 -15.748 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.866 -4.603 -14.790 1.00 0.00 C ATOM 776 CE1 TYR A 47 -2.189 -5.962 -16.764 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.479 -3.908 -15.790 1.00 0.00 C ATOM 778 CZ TYR A 47 -2.141 -4.588 -16.779 1.00 0.00 C ATOM 779 OH TYR A 47 -2.749 -3.895 -17.794 1.00 0.00 O ATOM 0 H TYR A 47 -2.413 -5.841 -12.672 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.543 -8.385 -13.340 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.265 -5.969 -12.994 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.533 -7.345 -14.045 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.608 -7.726 -15.732 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.340 -4.063 -14.016 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.708 -6.497 -17.545 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.443 -2.829 -15.803 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.623 -2.933 -17.655 1.00 0.00 H new ATOM 789 N VAL A 48 -0.105 -7.080 -10.699 1.00 0.00 N ATOM 790 CA VAL A 48 0.735 -7.289 -9.549 1.00 0.00 C ATOM 791 C VAL A 48 0.105 -8.262 -8.562 1.00 0.00 C ATOM 792 O VAL A 48 0.747 -9.225 -8.138 1.00 0.00 O ATOM 793 CB VAL A 48 1.044 -5.937 -8.882 1.00 0.00 C ATOM 794 CG1 VAL A 48 1.953 -6.101 -7.667 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.671 -5.005 -9.911 1.00 0.00 C ATOM 0 H VAL A 48 -0.478 -6.133 -10.765 1.00 0.00 H new ATOM 0 HA VAL A 48 1.670 -7.740 -9.881 1.00 0.00 H new ATOM 0 HB VAL A 48 0.111 -5.504 -8.520 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.148 -5.124 -7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.466 -6.742 -6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.895 -6.554 -7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.893 -4.045 -9.445 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.593 -5.447 -10.288 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.976 -4.855 -10.737 1.00 0.00 H new ATOM 805 N TYR A 49 -1.154 -8.057 -8.247 1.00 0.00 N ATOM 806 CA TYR A 49 -1.847 -8.916 -7.304 1.00 0.00 C ATOM 807 C TYR A 49 -1.991 -10.320 -7.858 1.00 0.00 C ATOM 808 O TYR A 49 -1.781 -11.296 -7.153 1.00 0.00 O ATOM 809 CB TYR A 49 -3.205 -8.327 -6.895 1.00 0.00 C ATOM 810 CG TYR A 49 -3.130 -7.093 -5.994 1.00 0.00 C ATOM 811 CD1 TYR A 49 -2.047 -6.212 -6.042 1.00 0.00 C ATOM 812 CD2 TYR A 49 -4.145 -6.815 -5.097 1.00 0.00 C ATOM 813 CE1 TYR A 49 -1.987 -5.102 -5.233 1.00 0.00 C ATOM 814 CE2 TYR A 49 -4.095 -5.699 -4.286 1.00 0.00 C ATOM 815 CZ TYR A 49 -3.010 -4.847 -4.360 1.00 0.00 C ATOM 816 OH TYR A 49 -2.958 -3.733 -3.560 1.00 0.00 O ATOM 0 H TYR A 49 -1.723 -7.302 -8.629 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.241 -8.975 -6.400 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.758 -8.066 -7.798 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.779 -9.099 -6.382 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.238 -6.407 -6.731 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.991 -7.482 -5.030 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.139 -4.436 -5.286 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.900 -5.493 -3.597 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.575 -3.842 -2.806 1.00 0.00 H new ATOM 826 N SER A 50 -2.261 -10.411 -9.143 1.00 0.00 N ATOM 827 CA SER A 50 -2.398 -11.684 -9.811 1.00 0.00 C ATOM 828 C SER A 50 -1.026 -12.396 -9.897 1.00 0.00 C ATOM 829 O SER A 50 -0.959 -13.614 -10.015 1.00 0.00 O ATOM 830 CB SER A 50 -3.002 -11.464 -11.209 1.00 0.00 C ATOM 831 OG SER A 50 -3.367 -12.679 -11.860 1.00 0.00 O ATOM 0 H SER A 50 -2.391 -9.603 -9.752 1.00 0.00 H new ATOM 0 HA SER A 50 -3.068 -12.327 -9.240 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.882 -10.827 -11.121 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.282 -10.929 -11.829 1.00 0.00 H new ATOM 0 HG SER A 50 -3.745 -12.477 -12.741 1.00 0.00 H new ATOM 837 N SER A 51 0.054 -11.632 -9.803 1.00 0.00 N ATOM 838 CA SER A 51 1.397 -12.175 -9.892 1.00 0.00 C ATOM 839 C SER A 51 1.971 -12.404 -8.468 1.00 0.00 C ATOM 840 O SER A 51 3.101 -12.864 -8.299 1.00 0.00 O ATOM 841 CB SER A 51 2.285 -11.199 -10.714 1.00 0.00 C ATOM 842 OG SER A 51 3.526 -11.781 -11.112 1.00 0.00 O ATOM 0 H SER A 51 0.021 -10.622 -9.663 1.00 0.00 H new ATOM 0 HA SER A 51 1.379 -13.139 -10.400 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.739 -10.878 -11.601 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.482 -10.306 -10.120 1.00 0.00 H new ATOM 0 HG SER A 51 3.872 -12.342 -10.387 1.00 0.00 H new ATOM 848 N HIS A 52 1.186 -12.064 -7.456 1.00 0.00 N ATOM 849 CA HIS A 52 1.585 -12.225 -6.047 1.00 0.00 C ATOM 850 C HIS A 52 0.439 -12.845 -5.266 1.00 0.00 C ATOM 851 O HIS A 52 0.296 -12.593 -4.085 1.00 0.00 O ATOM 852 CB HIS A 52 1.928 -10.852 -5.402 1.00 0.00 C ATOM 853 CG HIS A 52 3.228 -10.211 -5.821 1.00 0.00 C ATOM 854 ND1 HIS A 52 4.276 -10.014 -4.952 1.00 0.00 N ATOM 855 CD2 HIS A 52 3.623 -9.669 -6.996 1.00 0.00 C ATOM 856 CE1 HIS A 52 5.249 -9.385 -5.572 1.00 0.00 C ATOM 857 NE2 HIS A 52 4.878 -9.163 -6.813 1.00 0.00 N ATOM 0 H HIS A 52 0.254 -11.668 -7.578 1.00 0.00 H new ATOM 0 HA HIS A 52 2.467 -12.865 -6.017 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.118 -10.158 -5.628 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.945 -10.980 -4.320 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.295 -10.311 -3.976 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.050 -9.642 -7.911 1.00 0.00 H new ATOM 0 HE1 HIS A 52 6.194 -9.099 -5.135 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.436 -8.690 -7.524 1.00 0.00 H new ATOM 866 N LEU A 53 -0.334 -13.706 -5.932 1.00 0.00 N ATOM 867 CA LEU A 53 -1.586 -14.282 -5.371 1.00 0.00 C ATOM 868 C LEU A 53 -1.479 -14.823 -3.960 1.00 0.00 C ATOM 869 O LEU A 53 -2.281 -14.464 -3.114 1.00 0.00 O ATOM 870 CB LEU A 53 -2.173 -15.369 -6.258 1.00 0.00 C ATOM 871 CG LEU A 53 -2.726 -14.933 -7.610 1.00 0.00 C ATOM 872 CD1 LEU A 53 -3.147 -16.145 -8.420 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.911 -13.992 -7.428 1.00 0.00 C ATOM 0 H LEU A 53 -0.121 -14.031 -6.875 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.250 -13.418 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.400 -16.118 -6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.974 -15.861 -5.706 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.940 -14.402 -8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.540 -15.820 -9.383 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.285 -16.793 -8.580 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.918 -16.694 -7.880 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.291 -13.692 -8.405 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.698 -14.502 -6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.592 -13.108 -6.876 1.00 0.00 H new ATOM 885 N ASP A 54 -0.504 -15.672 -3.699 1.00 0.00 N ATOM 886 CA ASP A 54 -0.400 -16.311 -2.382 1.00 0.00 C ATOM 887 C ASP A 54 -0.176 -15.275 -1.285 1.00 0.00 C ATOM 888 O ASP A 54 -0.833 -15.300 -0.245 1.00 0.00 O ATOM 889 CB ASP A 54 0.682 -17.390 -2.346 1.00 0.00 C ATOM 890 CG ASP A 54 0.733 -18.088 -1.007 1.00 0.00 C ATOM 891 OD1 ASP A 54 -0.131 -18.938 -0.731 1.00 0.00 O ATOM 892 OD2 ASP A 54 1.632 -17.806 -0.201 1.00 0.00 O ATOM 0 H ASP A 54 0.222 -15.939 -4.364 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.352 -16.807 -2.194 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.492 -18.122 -3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.652 -16.940 -2.559 1.00 0.00 H new ATOM 897 N GLU A 55 0.704 -14.354 -1.567 1.00 0.00 N ATOM 898 CA GLU A 55 1.017 -13.227 -0.711 1.00 0.00 C ATOM 899 C GLU A 55 -0.230 -12.365 -0.496 1.00 0.00 C ATOM 900 O GLU A 55 -0.582 -12.022 0.648 1.00 0.00 O ATOM 901 CB GLU A 55 2.071 -12.441 -1.430 1.00 0.00 C ATOM 902 CG GLU A 55 2.369 -11.073 -0.907 1.00 0.00 C ATOM 903 CD GLU A 55 3.190 -10.357 -1.903 1.00 0.00 C ATOM 904 OE1 GLU A 55 4.165 -10.960 -2.460 1.00 0.00 O ATOM 905 OE2 GLU A 55 2.897 -9.215 -2.173 1.00 0.00 O ATOM 0 H GLU A 55 1.247 -14.362 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 55 1.362 -13.554 0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.995 -13.019 -1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.771 -12.347 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.443 -10.530 -0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.899 -11.138 0.043 1.00 0.00 H new ATOM 912 N ILE A 56 -0.887 -12.025 -1.603 1.00 0.00 N ATOM 913 CA ILE A 56 -2.132 -11.262 -1.582 1.00 0.00 C ATOM 914 C ILE A 56 -3.171 -11.976 -0.707 1.00 0.00 C ATOM 915 O ILE A 56 -3.831 -11.353 0.089 1.00 0.00 O ATOM 916 CB ILE A 56 -2.722 -11.012 -3.018 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.709 -10.303 -3.938 1.00 0.00 C ATOM 918 CG2 ILE A 56 -4.021 -10.209 -2.965 1.00 0.00 C ATOM 919 CD1 ILE A 56 -1.151 -8.999 -3.409 1.00 0.00 C ATOM 0 H ILE A 56 -0.570 -12.271 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.896 -10.285 -1.161 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.939 -11.995 -3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.879 -10.983 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.189 -10.110 -4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.397 -10.057 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.762 -10.754 -2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.832 -9.242 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.449 -8.584 -4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.966 -8.293 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.635 -9.180 -2.466 1.00 0.00 H new ATOM 931 N ARG A 57 -3.272 -13.295 -0.839 1.00 0.00 N ATOM 932 CA ARG A 57 -4.202 -14.074 -0.010 1.00 0.00 C ATOM 933 C ARG A 57 -3.830 -14.019 1.482 1.00 0.00 C ATOM 934 O ARG A 57 -4.716 -14.039 2.351 1.00 0.00 O ATOM 935 CB ARG A 57 -4.296 -15.526 -0.466 1.00 0.00 C ATOM 936 CG ARG A 57 -4.776 -15.708 -1.894 1.00 0.00 C ATOM 937 CD ARG A 57 -4.881 -17.178 -2.261 1.00 0.00 C ATOM 938 NE ARG A 57 -3.629 -17.914 -2.018 1.00 0.00 N ATOM 939 CZ ARG A 57 -3.389 -19.168 -2.424 1.00 0.00 C ATOM 940 NH1 ARG A 57 -4.275 -19.813 -3.170 1.00 0.00 N ATOM 941 NH2 ARG A 57 -2.256 -19.775 -2.090 1.00 0.00 N ATOM 0 H ARG A 57 -2.730 -13.848 -1.503 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.180 -13.609 -0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.315 -15.990 -0.364 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.972 -16.060 0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.748 -15.231 -2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.088 -15.209 -2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.685 -17.636 -1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.152 -17.267 -3.313 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.891 -17.434 -1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.146 -19.355 -3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.086 -20.768 -3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.564 -19.286 -1.522 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.078 -20.730 -2.402 1.00 0.00 H new ATOM 955 N LYS A 58 -2.533 -13.967 1.779 1.00 0.00 N ATOM 956 CA LYS A 58 -2.064 -13.848 3.162 1.00 0.00 C ATOM 957 C LYS A 58 -2.560 -12.565 3.793 1.00 0.00 C ATOM 958 O LYS A 58 -3.161 -12.581 4.861 1.00 0.00 O ATOM 959 CB LYS A 58 -0.532 -13.907 3.270 1.00 0.00 C ATOM 960 CG LYS A 58 0.054 -15.260 3.655 1.00 0.00 C ATOM 961 CD LYS A 58 -0.182 -16.342 2.620 1.00 0.00 C ATOM 962 CE LYS A 58 0.472 -17.630 3.067 1.00 0.00 C ATOM 963 NZ LYS A 58 0.371 -18.708 2.068 1.00 0.00 N ATOM 0 H LYS A 58 -1.788 -14.005 1.083 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.474 -14.704 3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.107 -13.608 2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.210 -13.170 4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.127 -15.150 3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.378 -15.577 4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.252 -16.496 2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.225 -16.032 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.523 -17.440 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.010 -17.961 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.518 -19.627 2.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.572 -18.688 1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.096 -18.571 1.335 1.00 0.00 H new ATOM 977 N ASN A 59 -2.341 -11.465 3.122 1.00 0.00 N ATOM 978 CA ASN A 59 -2.734 -10.174 3.657 1.00 0.00 C ATOM 979 C ASN A 59 -3.678 -9.485 2.720 1.00 0.00 C ATOM 980 O ASN A 59 -3.407 -8.381 2.229 1.00 0.00 O ATOM 981 CB ASN A 59 -1.524 -9.281 3.977 1.00 0.00 C ATOM 982 CG ASN A 59 -0.653 -9.842 5.075 1.00 0.00 C ATOM 983 OD1 ASN A 59 -0.891 -9.595 6.257 1.00 0.00 O ATOM 984 ND2 ASN A 59 0.366 -10.573 4.709 1.00 0.00 N ATOM 0 H ASN A 59 -1.894 -11.430 2.206 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.248 -10.356 4.601 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.925 -9.153 3.075 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.876 -8.292 4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.995 -10.960 5.413 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.532 -10.757 3.720 1.00 0.00 H new ATOM 991 N LYS A 60 -4.806 -10.128 2.488 1.00 0.00 N ATOM 992 CA LYS A 60 -5.806 -9.632 1.558 1.00 0.00 C ATOM 993 C LYS A 60 -6.369 -8.335 2.083 1.00 0.00 C ATOM 994 O LYS A 60 -6.658 -7.431 1.336 1.00 0.00 O ATOM 995 CB LYS A 60 -6.923 -10.689 1.338 1.00 0.00 C ATOM 996 CG LYS A 60 -7.971 -10.767 2.453 1.00 0.00 C ATOM 997 CD LYS A 60 -8.664 -12.107 2.516 1.00 0.00 C ATOM 998 CE LYS A 60 -7.725 -13.181 3.043 1.00 0.00 C ATOM 999 NZ LYS A 60 -7.289 -12.906 4.435 1.00 0.00 N ATOM 0 H LYS A 60 -5.056 -11.009 2.938 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.343 -9.447 0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.430 -10.469 0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.458 -11.669 1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.491 -10.567 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.715 -9.986 2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.541 -12.037 3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.019 -12.384 1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.224 -14.149 3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.850 -13.247 2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.720 -13.703 4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.717 -12.037 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.124 -12.785 5.043 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.459 -8.244 3.392 1.00 0.00 N ATOM 1014 CA GLU A 61 -6.967 -7.095 4.042 1.00 0.00 C ATOM 1015 C GLU A 61 -6.071 -5.893 3.774 1.00 0.00 C ATOM 1016 O GLU A 61 -6.558 -4.815 3.404 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.106 -7.334 5.540 1.00 0.00 C ATOM 1018 CG GLU A 61 -7.904 -8.592 5.935 1.00 0.00 C ATOM 1019 CD GLU A 61 -7.072 -9.878 6.039 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -6.498 -10.357 5.030 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -6.994 -10.440 7.143 1.00 0.00 O ATOM 0 H GLU A 61 -6.172 -8.987 4.029 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.958 -6.887 3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.109 -7.405 5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.587 -6.464 5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.388 -8.411 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.696 -8.747 5.202 1.00 0.00 H new ATOM 1028 N PHE A 62 -4.766 -6.108 3.908 1.00 0.00 N ATOM 1029 CA PHE A 62 -3.768 -5.078 3.673 1.00 0.00 C ATOM 1030 C PHE A 62 -3.796 -4.647 2.222 1.00 0.00 C ATOM 1031 O PHE A 62 -3.954 -3.461 1.918 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.360 -5.626 4.013 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.214 -4.717 3.643 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -0.826 -3.683 4.460 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.536 -4.901 2.455 1.00 0.00 C ATOM 1036 CE1 PHE A 62 0.210 -2.861 4.095 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.491 -4.076 2.096 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.861 -3.054 2.918 1.00 0.00 C ATOM 0 H PHE A 62 -4.372 -7.007 4.184 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.993 -4.221 4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.314 -5.826 5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.226 -6.580 3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.340 -3.516 5.395 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.822 -5.710 1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.510 -2.055 4.748 1.00 0.00 H new ATOM 0 HE2 PHE A 62 1.009 -4.233 1.162 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.671 -2.398 2.634 1.00 0.00 H new ATOM 1048 N TYR A 63 -3.707 -5.619 1.339 1.00 0.00 N ATOM 1049 CA TYR A 63 -3.626 -5.354 -0.066 1.00 0.00 C ATOM 1050 C TYR A 63 -4.896 -4.788 -0.643 1.00 0.00 C ATOM 1051 O TYR A 63 -4.836 -3.934 -1.518 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.111 -6.558 -0.851 1.00 0.00 C ATOM 1053 CG TYR A 63 -1.645 -6.849 -0.587 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -0.674 -5.907 -0.906 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.230 -8.049 -0.038 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.667 -6.152 -0.692 1.00 0.00 C ATOM 1057 CE2 TYR A 63 0.111 -8.306 0.185 1.00 0.00 C ATOM 1058 CZ TYR A 63 1.055 -7.350 -0.146 1.00 0.00 C ATOM 1059 OH TYR A 63 2.390 -7.605 0.036 1.00 0.00 O ATOM 0 H TYR A 63 -3.689 -6.609 1.582 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.883 -4.565 -0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.703 -7.435 -0.592 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.255 -6.380 -1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.976 -4.961 -1.331 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.965 -8.797 0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.405 -5.407 -0.952 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.419 -9.248 0.615 1.00 0.00 H new ATOM 0 HH TYR A 63 2.719 -8.166 -0.697 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.035 -5.208 -0.139 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.301 -4.692 -0.645 1.00 0.00 C ATOM 1071 C ASP A 64 -7.522 -3.253 -0.216 1.00 0.00 C ATOM 1072 O ASP A 64 -7.911 -2.407 -1.040 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.474 -5.574 -0.233 1.00 0.00 C ATOM 1074 CG ASP A 64 -9.812 -4.937 -0.504 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.240 -4.853 -1.687 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -10.463 -4.494 0.469 1.00 0.00 O ATOM 0 H ASP A 64 -6.118 -5.895 0.610 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.245 -4.711 -1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.414 -6.522 -0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.395 -5.802 0.830 1.00 0.00 H new ATOM 1081 N MET A 65 -7.235 -2.957 1.053 1.00 0.00 N ATOM 1082 CA MET A 65 -7.408 -1.604 1.554 1.00 0.00 C ATOM 1083 C MET A 65 -6.430 -0.651 0.927 1.00 0.00 C ATOM 1084 O MET A 65 -6.811 0.459 0.564 1.00 0.00 O ATOM 1085 CB MET A 65 -7.394 -1.520 3.085 1.00 0.00 C ATOM 1086 CG MET A 65 -8.590 -2.203 3.709 1.00 0.00 C ATOM 1087 SD MET A 65 -8.723 -2.021 5.509 1.00 0.00 S ATOM 1088 CE MET A 65 -7.272 -2.911 6.069 1.00 0.00 C ATOM 0 H MET A 65 -6.888 -3.628 1.738 1.00 0.00 H new ATOM 0 HA MET A 65 -8.408 -1.293 1.251 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.479 -1.977 3.463 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.377 -0.473 3.389 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.496 -1.807 3.251 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.550 -3.265 3.468 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.580 -3.789 6.637 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.683 -3.225 5.207 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.669 -2.261 6.703 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.178 -1.080 0.734 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.242 -0.193 0.085 1.00 0.00 C ATOM 1100 C ILE A 66 -4.632 0.033 -1.362 1.00 0.00 C ATOM 1101 O ILE A 66 -4.620 1.141 -1.799 1.00 0.00 O ATOM 1102 CB ILE A 66 -2.730 -0.570 0.185 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.413 -1.909 -0.472 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.271 -0.569 1.632 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -0.933 -2.138 -0.678 1.00 0.00 C ATOM 0 H ILE A 66 -4.813 -1.993 1.007 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.324 0.729 0.661 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.180 0.194 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.816 -2.713 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.919 -1.962 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.215 -0.834 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.415 0.424 2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.853 -1.296 2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.777 -3.108 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.529 -1.354 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.424 -2.117 0.286 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.058 -1.029 -2.069 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.466 -0.922 -3.485 1.00 0.00 C ATOM 1119 C ALA A 67 -6.568 0.112 -3.662 1.00 0.00 C ATOM 1120 O ALA A 67 -6.604 0.837 -4.649 1.00 0.00 O ATOM 1121 CB ALA A 67 -5.939 -2.267 -4.014 1.00 0.00 C ATOM 0 H ALA A 67 -5.129 -1.971 -1.685 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.592 -0.603 -4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.234 -2.164 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.130 -2.994 -3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.792 -2.609 -3.428 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.446 0.168 -2.689 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.532 1.117 -2.653 1.00 0.00 C ATOM 1129 C GLU A 68 -7.973 2.542 -2.442 1.00 0.00 C ATOM 1130 O GLU A 68 -8.194 3.446 -3.264 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.473 0.706 -1.513 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.659 1.609 -1.275 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.603 1.699 -2.447 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -12.478 0.833 -2.592 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -11.523 2.666 -3.222 1.00 0.00 O ATOM 0 H GLU A 68 -7.425 -0.458 -1.884 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.083 1.121 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.842 -0.299 -1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.893 0.651 -0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.209 1.249 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.299 2.609 -1.033 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.200 2.705 -1.372 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.602 3.995 -0.999 1.00 0.00 C ATOM 1144 C ILE A 69 -5.646 4.520 -2.088 1.00 0.00 C ATOM 1145 O ILE A 69 -5.628 5.721 -2.380 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.855 3.875 0.362 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.848 3.478 1.461 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -5.138 5.178 0.732 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -6.203 3.204 2.794 1.00 0.00 C ATOM 0 H ILE A 69 -6.966 1.946 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.414 4.715 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.093 3.102 0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.582 4.275 1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.392 2.589 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.629 5.054 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.408 5.423 -0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.867 5.985 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.969 2.930 3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.490 2.386 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.682 4.098 3.137 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.887 3.615 -2.692 1.00 0.00 N ATOM 1162 CA LEU A 70 -3.949 3.947 -3.761 1.00 0.00 C ATOM 1163 C LEU A 70 -4.646 4.639 -4.909 1.00 0.00 C ATOM 1164 O LEU A 70 -4.202 5.681 -5.350 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.208 2.694 -4.260 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.243 2.034 -3.262 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -1.759 0.701 -3.786 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -1.062 2.939 -2.975 1.00 0.00 C ATOM 0 H LEU A 70 -4.904 2.623 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.214 4.636 -3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.950 1.954 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.646 2.962 -5.154 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.787 1.867 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.077 0.252 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.611 0.040 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.239 0.849 -4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.393 2.451 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.524 3.141 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.418 3.878 -2.550 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.765 4.085 -5.358 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.510 4.681 -6.467 1.00 0.00 C ATOM 1182 C GLN A 71 -7.071 6.029 -6.029 1.00 0.00 C ATOM 1183 O GLN A 71 -6.920 7.043 -6.717 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.675 3.783 -6.889 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.295 2.357 -7.241 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.492 1.527 -7.656 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -9.449 2.035 -8.250 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.479 0.270 -7.307 1.00 0.00 N ATOM 0 H GLN A 71 -6.176 3.232 -4.978 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.830 4.801 -7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.406 3.759 -6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.168 4.234 -7.750 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.565 2.367 -8.051 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.812 1.890 -6.383 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.671 -0.115 -6.818 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.277 -0.328 -7.524 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.659 6.010 -4.850 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.330 7.112 -4.231 1.00 0.00 C ATOM 1199 C ARG A 72 -7.427 8.355 -4.108 1.00 0.00 C ATOM 1200 O ARG A 72 -7.784 9.441 -4.563 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.759 6.608 -2.864 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.564 7.536 -2.027 1.00 0.00 C ATOM 1203 CD ARG A 72 -9.996 6.825 -0.766 1.00 0.00 C ATOM 1204 NE ARG A 72 -10.989 5.759 -1.019 1.00 0.00 N ATOM 1205 CZ ARG A 72 -11.487 4.921 -0.083 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -11.050 4.953 1.165 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -12.435 4.068 -0.410 1.00 0.00 N ATOM 0 H ARG A 72 -7.677 5.170 -4.272 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.179 7.437 -4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.334 5.693 -3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.863 6.338 -2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.977 8.420 -1.777 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.437 7.879 -2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.121 6.392 -0.281 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.419 7.551 -0.072 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.325 5.647 -1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.325 5.618 1.435 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.438 4.313 1.858 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.790 4.042 -1.366 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.814 3.433 0.293 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.258 8.185 -3.539 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.384 9.313 -3.305 1.00 0.00 C ATOM 1223 C TYR A 73 -4.428 9.608 -4.445 1.00 0.00 C ATOM 1224 O TYR A 73 -3.847 10.700 -4.499 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.695 9.243 -1.947 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.659 9.478 -0.808 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.387 8.440 -0.252 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.862 10.754 -0.316 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -7.297 8.673 0.760 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -6.759 10.995 0.699 1.00 0.00 C ATOM 1231 CZ TYR A 73 -7.478 9.956 1.232 1.00 0.00 C ATOM 1232 OH TYR A 73 -8.398 10.200 2.231 1.00 0.00 O ATOM 0 H TYR A 73 -5.890 7.285 -3.231 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.041 10.182 -3.274 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.226 8.266 -1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.898 9.986 -1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.241 7.433 -0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.305 11.578 -0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.864 7.855 1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.896 11.998 1.074 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.400 11.156 2.448 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.262 8.676 -5.374 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.449 8.946 -6.547 1.00 0.00 C ATOM 1244 C TYR A 74 -4.143 10.007 -7.416 1.00 0.00 C ATOM 1245 O TYR A 74 -3.496 10.783 -8.117 1.00 0.00 O ATOM 1246 CB TYR A 74 -3.123 7.639 -7.318 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.414 7.665 -8.793 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -4.653 7.278 -9.253 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -2.468 8.089 -9.716 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -4.956 7.311 -10.576 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -2.765 8.121 -11.059 1.00 0.00 C ATOM 1252 CZ TYR A 74 -4.015 7.732 -11.482 1.00 0.00 C ATOM 1253 OH TYR A 74 -4.338 7.776 -12.817 1.00 0.00 O ATOM 0 H TYR A 74 -4.672 7.743 -5.339 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.485 9.352 -6.241 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.067 7.410 -7.178 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.688 6.823 -6.869 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.398 6.942 -8.547 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.490 8.397 -9.377 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.935 7.007 -10.915 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.024 8.448 -11.774 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.567 8.096 -13.330 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.465 10.039 -7.329 1.00 0.00 N ATOM 1264 CA LYS A 75 -6.272 11.025 -8.027 1.00 0.00 C ATOM 1265 C LYS A 75 -6.135 12.394 -7.349 1.00 0.00 C ATOM 1266 O LYS A 75 -6.349 13.427 -7.969 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.746 10.589 -8.009 1.00 0.00 C ATOM 1268 CG LYS A 75 -8.015 9.254 -8.699 1.00 0.00 C ATOM 1269 CD LYS A 75 -7.936 9.346 -10.218 1.00 0.00 C ATOM 1270 CE LYS A 75 -9.141 10.075 -10.804 1.00 0.00 C ATOM 1271 NZ LYS A 75 -10.410 9.349 -10.534 1.00 0.00 N ATOM 0 H LYS A 75 -6.008 9.380 -6.771 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.926 11.102 -9.058 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.081 10.523 -6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.347 11.361 -8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.294 8.517 -8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.004 8.895 -8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.022 9.866 -10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.877 8.343 -10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.199 11.078 -10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.009 10.189 -11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.139 9.663 -11.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.255 8.327 -10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.724 9.549 -9.563 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.746 12.387 -6.092 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.656 13.607 -5.324 1.00 0.00 C ATOM 1287 C LYS A 76 -4.230 14.177 -5.306 1.00 0.00 C ATOM 1288 O LYS A 76 -4.030 15.350 -5.621 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.181 13.369 -3.897 1.00 0.00 C ATOM 1290 CG LYS A 76 -6.119 14.590 -2.976 1.00 0.00 C ATOM 1291 CD LYS A 76 -6.699 14.288 -1.595 1.00 0.00 C ATOM 1292 CE LYS A 76 -8.216 14.087 -1.632 1.00 0.00 C ATOM 1293 NZ LYS A 76 -8.938 15.333 -1.968 1.00 0.00 N ATOM 0 H LYS A 76 -5.486 11.544 -5.579 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.282 14.356 -5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.215 13.030 -3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.607 12.561 -3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.084 14.915 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.669 15.415 -3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.226 13.392 -1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.460 15.107 -0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.461 13.319 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.556 13.723 -0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.956 15.200 -1.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.587 16.109 -1.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.779 15.567 -2.969 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.241 13.361 -4.967 1.00 0.00 N ATOM 1308 CA ILE A 77 -1.870 13.866 -4.873 1.00 0.00 C ATOM 1309 C ILE A 77 -0.908 13.162 -5.833 1.00 0.00 C ATOM 1310 O ILE A 77 0.029 13.780 -6.343 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.313 13.775 -3.413 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.437 12.335 -2.864 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.011 14.781 -2.501 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -0.887 12.139 -1.463 1.00 0.00 C ATOM 0 H ILE A 77 -3.353 12.369 -4.756 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.928 14.914 -5.166 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.253 14.029 -3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.489 12.048 -2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.918 11.657 -3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.607 14.699 -1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.844 15.790 -2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.081 14.573 -2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.018 11.099 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.174 12.390 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.421 12.787 -0.768 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.165 11.912 -6.121 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.289 11.158 -6.997 1.00 0.00 C ATOM 1328 C GLY A 78 -0.068 9.791 -6.423 1.00 0.00 C ATOM 1329 O GLY A 78 -0.470 9.546 -5.306 1.00 0.00 O ATOM 0 H GLY A 78 -1.968 11.392 -5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.730 11.080 -7.991 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.664 11.675 -7.110 1.00 0.00 H new ATOM 1333 N ILE A 79 0.597 8.916 -7.137 1.00 0.00 N ATOM 1334 CA ILE A 79 0.743 7.542 -6.677 1.00 0.00 C ATOM 1335 C ILE A 79 2.015 7.385 -5.870 1.00 0.00 C ATOM 1336 O ILE A 79 2.007 6.771 -4.815 1.00 0.00 O ATOM 1337 CB ILE A 79 0.682 6.499 -7.855 1.00 0.00 C ATOM 1338 CG1 ILE A 79 0.862 5.058 -7.344 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.698 6.813 -8.954 1.00 0.00 C ATOM 1340 CD1 ILE A 79 -0.185 4.609 -6.349 1.00 0.00 C ATOM 0 H ILE A 79 1.044 9.120 -8.031 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.109 7.326 -6.032 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.313 6.582 -8.293 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.849 4.379 -8.197 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.845 4.970 -6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.620 6.068 -9.745 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.495 7.802 -9.365 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.704 6.794 -8.536 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.020 3.583 -6.043 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.159 5.260 -5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.171 4.660 -6.811 1.00 0.00 H new ATOM 1352 N GLU A 80 3.075 8.024 -6.332 1.00 0.00 N ATOM 1353 CA GLU A 80 4.359 7.976 -5.724 1.00 0.00 C ATOM 1354 C GLU A 80 4.285 8.503 -4.291 1.00 0.00 C ATOM 1355 O GLU A 80 4.961 8.004 -3.377 1.00 0.00 O ATOM 1356 CB GLU A 80 5.268 8.834 -6.571 1.00 0.00 C ATOM 1357 CG GLU A 80 6.654 8.855 -6.103 1.00 0.00 C ATOM 1358 CD GLU A 80 7.553 9.658 -6.990 1.00 0.00 C ATOM 1359 OE1 GLU A 80 8.046 9.112 -7.999 1.00 0.00 O ATOM 1360 OE2 GLU A 80 7.773 10.858 -6.720 1.00 0.00 O ATOM 0 H GLU A 80 3.047 8.605 -7.170 1.00 0.00 H new ATOM 0 HA GLU A 80 4.736 6.955 -5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.245 8.470 -7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.882 9.853 -6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.686 9.265 -5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.028 7.833 -6.043 1.00 0.00 H new ATOM 1367 N ASN A 81 3.415 9.468 -4.113 1.00 0.00 N ATOM 1368 CA ASN A 81 3.187 10.106 -2.840 1.00 0.00 C ATOM 1369 C ASN A 81 2.512 9.130 -1.904 1.00 0.00 C ATOM 1370 O ASN A 81 2.951 8.928 -0.774 1.00 0.00 O ATOM 1371 CB ASN A 81 2.289 11.334 -3.024 1.00 0.00 C ATOM 1372 CG ASN A 81 2.812 12.308 -4.059 1.00 0.00 C ATOM 1373 OD1 ASN A 81 2.496 12.191 -5.240 1.00 0.00 O ATOM 1374 ND2 ASN A 81 3.605 13.256 -3.643 1.00 0.00 N ATOM 0 H ASN A 81 2.834 9.839 -4.865 1.00 0.00 H new ATOM 0 HA ASN A 81 4.143 10.420 -2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.291 11.006 -3.315 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.189 11.849 -2.068 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.984 13.931 -4.307 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.846 13.322 -2.654 1.00 0.00 H new ATOM 1381 N VAL A 82 1.465 8.482 -2.405 1.00 0.00 N ATOM 1382 CA VAL A 82 0.693 7.536 -1.617 1.00 0.00 C ATOM 1383 C VAL A 82 1.540 6.316 -1.277 1.00 0.00 C ATOM 1384 O VAL A 82 1.481 5.810 -0.162 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.615 7.103 -2.338 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.448 6.188 -1.448 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.428 8.319 -2.700 1.00 0.00 C ATOM 0 H VAL A 82 1.132 8.599 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 82 0.403 8.040 -0.695 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.341 6.560 -3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.358 5.898 -1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.872 5.296 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.711 6.714 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.343 8.008 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.682 8.869 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.848 8.960 -3.363 1.00 0.00 H new ATOM 1397 N ASN A 83 2.357 5.883 -2.229 1.00 0.00 N ATOM 1398 CA ASN A 83 3.271 4.747 -2.027 1.00 0.00 C ATOM 1399 C ASN A 83 4.178 5.002 -0.831 1.00 0.00 C ATOM 1400 O ASN A 83 4.328 4.149 0.056 1.00 0.00 O ATOM 1401 CB ASN A 83 4.126 4.453 -3.285 1.00 0.00 C ATOM 1402 CG ASN A 83 3.324 3.904 -4.460 1.00 0.00 C ATOM 1403 OD1 ASN A 83 2.295 3.274 -4.283 1.00 0.00 O ATOM 1404 ND2 ASN A 83 3.800 4.104 -5.667 1.00 0.00 N ATOM 0 H ASN A 83 2.411 6.300 -3.158 1.00 0.00 H new ATOM 0 HA ASN A 83 2.654 3.869 -1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.626 5.370 -3.596 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.906 3.738 -3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.307 3.730 -6.478 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.662 4.634 -5.794 1.00 0.00 H new ATOM 1411 N GLN A 84 4.721 6.208 -0.777 1.00 0.00 N ATOM 1412 CA GLN A 84 5.598 6.628 0.310 1.00 0.00 C ATOM 1413 C GLN A 84 4.784 6.607 1.629 1.00 0.00 C ATOM 1414 O GLN A 84 5.238 6.086 2.658 1.00 0.00 O ATOM 1415 CB GLN A 84 6.113 8.055 0.011 1.00 0.00 C ATOM 1416 CG GLN A 84 7.408 8.504 0.727 1.00 0.00 C ATOM 1417 CD GLN A 84 7.356 8.459 2.240 1.00 0.00 C ATOM 1418 OE1 GLN A 84 6.940 9.419 2.893 1.00 0.00 O ATOM 1419 NE2 GLN A 84 7.838 7.385 2.808 1.00 0.00 N ATOM 0 H GLN A 84 4.567 6.926 -1.485 1.00 0.00 H new ATOM 0 HA GLN A 84 6.453 5.958 0.405 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.275 8.137 -1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.323 8.760 0.269 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.229 7.872 0.389 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.641 9.523 0.417 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.173 6.611 2.234 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.879 7.321 3.825 1.00 0.00 H new ATOM 1428 N LEU A 85 3.574 7.138 1.575 1.00 0.00 N ATOM 1429 CA LEU A 85 2.689 7.188 2.736 1.00 0.00 C ATOM 1430 C LEU A 85 2.390 5.782 3.275 1.00 0.00 C ATOM 1431 O LEU A 85 2.438 5.558 4.488 1.00 0.00 O ATOM 1432 CB LEU A 85 1.384 7.934 2.406 1.00 0.00 C ATOM 1433 CG LEU A 85 1.539 9.393 1.947 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.185 10.009 1.639 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.285 10.221 2.989 1.00 0.00 C ATOM 0 H LEU A 85 3.175 7.546 0.730 1.00 0.00 H new ATOM 0 HA LEU A 85 3.208 7.741 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.861 7.382 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.746 7.918 3.290 1.00 0.00 H new ATOM 0 HG LEU A 85 2.131 9.394 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.320 11.041 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.301 9.441 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.437 9.987 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.380 11.248 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.732 10.208 3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.277 9.799 3.147 1.00 0.00 H new ATOM 1447 N ILE A 86 2.142 4.835 2.371 1.00 0.00 N ATOM 1448 CA ILE A 86 1.853 3.446 2.740 1.00 0.00 C ATOM 1449 C ILE A 86 3.068 2.803 3.429 1.00 0.00 C ATOM 1450 O ILE A 86 2.917 2.031 4.425 1.00 0.00 O ATOM 1451 CB ILE A 86 1.405 2.591 1.505 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.117 3.159 0.870 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.213 1.116 1.872 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.076 3.245 1.813 1.00 0.00 C ATOM 0 H ILE A 86 2.135 5.006 1.365 1.00 0.00 H new ATOM 0 HA ILE A 86 1.020 3.465 3.443 1.00 0.00 H new ATOM 0 HB ILE A 86 2.208 2.650 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.329 4.156 0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.156 2.537 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.903 0.559 0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.152 0.709 2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.447 1.030 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.933 3.655 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.321 2.249 2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.829 3.893 2.654 1.00 0.00 H new ATOM 1466 N LEU A 87 4.253 3.127 2.932 1.00 0.00 N ATOM 1467 CA LEU A 87 5.501 2.662 3.523 1.00 0.00 C ATOM 1468 C LEU A 87 5.666 3.239 4.914 1.00 0.00 C ATOM 1469 O LEU A 87 6.075 2.555 5.850 1.00 0.00 O ATOM 1470 CB LEU A 87 6.691 3.050 2.650 1.00 0.00 C ATOM 1471 CG LEU A 87 6.759 2.393 1.278 1.00 0.00 C ATOM 1472 CD1 LEU A 87 7.970 2.886 0.516 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.804 0.885 1.418 1.00 0.00 C ATOM 0 H LEU A 87 4.377 3.718 2.110 1.00 0.00 H new ATOM 0 HA LEU A 87 5.464 1.575 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.677 4.131 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.606 2.809 3.191 1.00 0.00 H new ATOM 0 HG LEU A 87 5.863 2.665 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.004 2.407 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.905 3.967 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.875 2.640 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.852 0.429 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.685 0.599 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.907 0.540 1.933 1.00 0.00 H new ATOM 1485 N THR A 88 5.310 4.482 5.042 1.00 0.00 N ATOM 1486 CA THR A 88 5.354 5.189 6.293 1.00 0.00 C ATOM 1487 C THR A 88 4.410 4.542 7.340 1.00 0.00 C ATOM 1488 O THR A 88 4.709 4.523 8.520 1.00 0.00 O ATOM 1489 CB THR A 88 5.024 6.682 6.067 1.00 0.00 C ATOM 1490 OG1 THR A 88 5.932 7.195 5.073 1.00 0.00 O ATOM 1491 CG2 THR A 88 5.192 7.493 7.349 1.00 0.00 C ATOM 0 H THR A 88 4.973 5.048 4.264 1.00 0.00 H new ATOM 0 HA THR A 88 6.364 5.121 6.697 1.00 0.00 H new ATOM 0 HB THR A 88 3.986 6.767 5.745 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.660 6.877 4.187 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.952 8.538 7.153 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.522 7.104 8.116 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.223 7.417 7.695 1.00 0.00 H new ATOM 1499 N THR A 89 3.292 3.991 6.884 1.00 0.00 N ATOM 1500 CA THR A 89 2.325 3.366 7.769 1.00 0.00 C ATOM 1501 C THR A 89 2.916 2.044 8.354 1.00 0.00 C ATOM 1502 O THR A 89 2.631 1.687 9.489 1.00 0.00 O ATOM 1503 CB THR A 89 1.078 2.987 6.958 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.837 3.936 5.940 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.152 2.890 7.833 1.00 0.00 C ATOM 0 H THR A 89 3.034 3.966 5.898 1.00 0.00 H new ATOM 0 HA THR A 89 2.081 4.063 8.571 1.00 0.00 H new ATOM 0 HB THR A 89 1.274 2.010 6.517 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.093 4.517 6.204 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.013 2.620 7.222 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.004 2.128 8.597 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.335 3.852 8.312 1.00 0.00 H new ATOM 1513 N ILE A 90 3.733 1.320 7.546 1.00 0.00 N ATOM 1514 CA ILE A 90 4.289 0.007 7.985 1.00 0.00 C ATOM 1515 C ILE A 90 5.590 0.136 8.751 1.00 0.00 C ATOM 1516 O ILE A 90 5.833 -0.595 9.713 1.00 0.00 O ATOM 1517 CB ILE A 90 4.543 -1.012 6.818 1.00 0.00 C ATOM 1518 CG1 ILE A 90 5.379 -0.403 5.694 1.00 0.00 C ATOM 1519 CG2 ILE A 90 3.273 -1.598 6.288 1.00 0.00 C ATOM 1520 CD1 ILE A 90 5.740 -1.373 4.606 1.00 0.00 C ATOM 0 H ILE A 90 4.018 1.610 6.611 1.00 0.00 H new ATOM 0 HA ILE A 90 3.501 -0.378 8.632 1.00 0.00 H new ATOM 0 HB ILE A 90 5.121 -1.829 7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.829 0.430 5.256 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.295 0.008 6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.503 -2.296 5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.754 -2.125 7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.636 -0.800 5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.333 -0.864 3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.319 -2.194 5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.830 -1.766 4.153 1.00 0.00 H new