USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 549 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 46 THR OG1 : rot 180:sc= 0.274 USER MOD Set 1.2: A 51 THR OG1 : rot -86:sc= -0.314 USER MOD Set 2.1: A 15 HIS : no HD1:sc= -1.91 X(o=-1.9,f=-1.5) USER MOD Set 2.2: A 19 MET CE :methyl -161:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.563 USER MOD Single : A 12 GLN : amide:sc= -0.713 X(o=-0.71,f=-0.6) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.492 USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.0213 (180deg=-0.192) USER MOD Single : A 21 THR OG1 : rot -21:sc= 0.242 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -3.67! C(o=-3.7!,f=-3.9!) USER MOD Single : A 27 TYR OH : rot 80:sc= -1.57! USER MOD Single : A 29 CYS SG : rot 35:sc= 0.202 USER MOD Single : A 32 SER OG : rot -99:sc= 0.0552 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -0.345 F(o=-1.3,f=-0.35) USER MOD Single : A 40 THR OG1 : rot 46:sc= 0.202 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 52 CYS SG : rot -130:sc= -2.42 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -110:sc= -1.14 USER MOD Single : A 58 SER OG : rot 68:sc= 0.263 USER MOD Single : A 59 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.132) USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= -0.202 (180deg=-0.744) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -6.87! C(o=-6.9!,f=-7.5!) USER MOD Single : A 72 ASN : amide:sc= 0.101 X(o=0.1,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -19.788 6.823 -4.540 1.00 0.00 N ATOM 67 CA LYS A 8 -19.083 6.571 -5.791 1.00 0.00 C ATOM 68 C LYS A 8 -17.615 6.246 -5.532 1.00 0.00 C ATOM 69 O LYS A 8 -17.052 6.638 -4.509 1.00 0.00 O ATOM 70 CB LYS A 8 -19.192 7.785 -6.716 1.00 0.00 C ATOM 71 CG LYS A 8 -20.577 7.976 -7.308 1.00 0.00 C ATOM 72 CD LYS A 8 -20.733 7.222 -8.618 1.00 0.00 C ATOM 73 CE LYS A 8 -22.134 7.378 -9.188 1.00 0.00 C ATOM 74 NZ LYS A 8 -22.255 8.596 -10.036 1.00 0.00 N ATOM 0 HA LYS A 8 -19.548 5.712 -6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -18.917 8.681 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.471 7.680 -7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.328 7.631 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.759 9.038 -7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.003 7.589 -9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.520 6.165 -8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.386 6.497 -9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.854 7.431 -8.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.224 8.667 -10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -22.040 9.439 -9.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.586 8.534 -10.830 1.00 0.00 H new ATOM 88 N THR A 9 -16.998 5.528 -6.466 1.00 0.00 N ATOM 89 CA THR A 9 -15.596 5.152 -6.339 1.00 0.00 C ATOM 90 C THR A 9 -14.682 6.241 -6.888 1.00 0.00 C ATOM 91 O THR A 9 -15.072 7.043 -7.737 1.00 0.00 O ATOM 92 CB THR A 9 -15.300 3.831 -7.075 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.857 4.102 -8.409 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.537 2.946 -7.116 1.00 0.00 C ATOM 0 H THR A 9 -17.448 5.195 -7.319 1.00 0.00 H new ATOM 0 HA THR A 9 -15.400 5.019 -5.275 1.00 0.00 H new ATOM 0 HB THR A 9 -14.514 3.306 -6.532 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.669 3.257 -8.869 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.304 2.019 -7.640 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.855 2.717 -6.099 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.340 3.467 -7.638 1.00 0.00 H new ATOM 102 N PRO A 10 -13.436 6.273 -6.393 1.00 0.00 N ATOM 103 CA PRO A 10 -12.440 7.260 -6.821 1.00 0.00 C ATOM 104 C PRO A 10 -11.971 7.027 -8.253 1.00 0.00 C ATOM 105 O PRO A 10 -11.240 7.842 -8.817 1.00 0.00 O ATOM 106 CB PRO A 10 -11.285 7.047 -5.839 1.00 0.00 C ATOM 107 CG PRO A 10 -11.426 5.634 -5.389 1.00 0.00 C ATOM 108 CD PRO A 10 -12.903 5.348 -5.379 1.00 0.00 C ATOM 0 HA PRO A 10 -12.842 8.273 -6.815 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.321 7.215 -6.319 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.347 7.738 -4.999 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.902 4.956 -6.062 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.995 5.495 -4.398 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.113 4.309 -5.633 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.341 5.531 -4.398 1.00 0.00 H new ATOM 116 N ILE A 11 -12.396 5.911 -8.836 1.00 0.00 N ATOM 117 CA ILE A 11 -12.020 5.573 -10.203 1.00 0.00 C ATOM 118 C ILE A 11 -13.122 5.953 -11.186 1.00 0.00 C ATOM 119 O ILE A 11 -12.849 6.303 -12.334 1.00 0.00 O ATOM 120 CB ILE A 11 -11.715 4.070 -10.347 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.679 3.635 -9.308 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.223 3.762 -11.754 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.301 4.211 -9.550 1.00 0.00 C ATOM 0 H ILE A 11 -13.001 5.226 -8.383 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.119 6.142 -10.433 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.634 3.510 -10.173 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.021 3.936 -8.318 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.614 2.547 -9.305 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.012 2.696 -11.840 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.990 4.039 -12.477 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.314 4.330 -11.954 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.619 3.860 -8.775 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.938 3.889 -10.526 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.352 5.299 -9.523 1.00 0.00 H new ATOM 135 N GLN A 12 -14.367 5.883 -10.727 1.00 0.00 N ATOM 136 CA GLN A 12 -15.511 6.221 -11.566 1.00 0.00 C ATOM 137 C GLN A 12 -15.774 7.723 -11.547 1.00 0.00 C ATOM 138 O GLN A 12 -16.375 8.270 -12.472 1.00 0.00 O ATOM 139 CB GLN A 12 -16.756 5.467 -11.096 1.00 0.00 C ATOM 140 CG GLN A 12 -16.826 4.034 -11.601 1.00 0.00 C ATOM 141 CD GLN A 12 -16.354 3.897 -13.035 1.00 0.00 C ATOM 142 OE1 GLN A 12 -17.012 4.366 -13.965 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.209 3.252 -13.222 1.00 0.00 N ATOM 0 H GLN A 12 -14.610 5.595 -9.779 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.280 5.924 -12.589 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.777 5.461 -10.006 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.644 6.005 -11.429 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.217 3.397 -10.960 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.853 3.676 -11.525 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.697 2.880 -12.422 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.841 3.129 -14.165 1.00 0.00 H new ATOM 152 N VAL A 13 -15.321 8.385 -10.488 1.00 0.00 N ATOM 153 CA VAL A 13 -15.507 9.824 -10.349 1.00 0.00 C ATOM 154 C VAL A 13 -14.428 10.593 -11.102 1.00 0.00 C ATOM 155 O VAL A 13 -14.725 11.376 -12.006 1.00 0.00 O ATOM 156 CB VAL A 13 -15.489 10.253 -8.869 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.654 11.760 -8.747 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.573 9.524 -8.090 1.00 0.00 C ATOM 0 H VAL A 13 -14.822 7.948 -9.713 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.482 10.059 -10.776 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.523 9.983 -8.442 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.639 12.044 -7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.838 12.259 -9.269 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.604 12.059 -9.190 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.546 9.839 -7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.548 9.761 -8.515 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.403 8.449 -8.149 1.00 0.00 H new ATOM 168 N LEU A 14 -13.175 10.365 -10.726 1.00 0.00 N ATOM 169 CA LEU A 14 -12.049 11.036 -11.367 1.00 0.00 C ATOM 170 C LEU A 14 -12.166 10.964 -12.886 1.00 0.00 C ATOM 171 O LEU A 14 -12.219 11.991 -13.565 1.00 0.00 O ATOM 172 CB LEU A 14 -10.730 10.407 -10.915 1.00 0.00 C ATOM 173 CG LEU A 14 -9.513 11.333 -10.906 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.226 10.523 -10.912 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.555 12.280 -12.096 1.00 0.00 C ATOM 0 H LEU A 14 -12.912 9.720 -9.980 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.065 12.084 -11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.866 10.009 -9.909 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.512 9.560 -11.566 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.539 11.928 -9.993 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.371 11.199 -10.905 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.192 9.887 -10.028 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.191 9.902 -11.807 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.681 12.932 -12.074 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.553 11.703 -13.021 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.460 12.885 -12.048 1.00 0.00 H new ATOM 187 N HIS A 15 -12.207 9.745 -13.414 1.00 0.00 N ATOM 188 CA HIS A 15 -12.321 9.539 -14.854 1.00 0.00 C ATOM 189 C HIS A 15 -13.540 10.266 -15.412 1.00 0.00 C ATOM 190 O HIS A 15 -13.409 11.230 -16.166 1.00 0.00 O ATOM 191 CB HIS A 15 -12.412 8.046 -15.171 1.00 0.00 C ATOM 192 CG HIS A 15 -12.367 7.741 -16.637 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.258 7.981 -17.421 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.301 7.212 -17.460 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.513 7.613 -18.664 1.00 0.00 C ATOM 196 NE2 HIS A 15 -12.746 7.143 -18.715 1.00 0.00 N ATOM 0 H HIS A 15 -12.163 8.885 -12.867 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.429 9.949 -15.327 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.592 7.527 -14.675 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.338 7.650 -14.754 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.297 6.902 -17.182 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.829 7.684 -19.497 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.211 6.787 -19.550 1.00 0.00 H new ATOM 204 N GLU A 16 -14.726 9.796 -15.038 1.00 0.00 N ATOM 205 CA GLU A 16 -15.969 10.401 -15.503 1.00 0.00 C ATOM 206 C GLU A 16 -15.866 11.924 -15.503 1.00 0.00 C ATOM 207 O GLU A 16 -16.360 12.590 -16.413 1.00 0.00 O ATOM 208 CB GLU A 16 -17.139 9.958 -14.623 1.00 0.00 C ATOM 209 CG GLU A 16 -17.534 8.504 -14.821 1.00 0.00 C ATOM 210 CD GLU A 16 -18.672 8.080 -13.913 1.00 0.00 C ATOM 211 OE1 GLU A 16 -19.425 8.964 -13.454 1.00 0.00 O ATOM 212 OE2 GLU A 16 -18.809 6.864 -13.662 1.00 0.00 O ATOM 0 H GLU A 16 -14.852 8.999 -14.415 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.146 10.066 -16.525 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.875 10.115 -13.577 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.001 10.592 -14.833 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.826 8.349 -15.860 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.669 7.868 -14.634 1.00 0.00 H new ATOM 219 N TYR A 17 -15.221 12.467 -14.477 1.00 0.00 N ATOM 220 CA TYR A 17 -15.055 13.910 -14.356 1.00 0.00 C ATOM 221 C TYR A 17 -14.140 14.447 -15.452 1.00 0.00 C ATOM 222 O TYR A 17 -14.534 15.306 -16.240 1.00 0.00 O ATOM 223 CB TYR A 17 -14.486 14.266 -12.981 1.00 0.00 C ATOM 224 CG TYR A 17 -13.685 15.548 -12.971 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.310 16.783 -13.092 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.301 15.524 -12.840 1.00 0.00 C ATOM 227 CE1 TYR A 17 -13.581 17.956 -13.084 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.565 16.693 -12.829 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.209 17.906 -12.952 1.00 0.00 C ATOM 230 OH TYR A 17 -11.480 19.073 -12.942 1.00 0.00 O ATOM 0 H TYR A 17 -14.804 11.929 -13.717 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.035 14.373 -14.467 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.307 14.355 -12.269 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.852 13.449 -12.637 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.384 16.826 -13.194 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.793 14.576 -12.745 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.083 18.908 -13.181 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.491 16.657 -12.725 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.528 18.863 -12.840 1.00 0.00 H new ATOM 240 N GLY A 18 -12.914 13.934 -15.495 1.00 0.00 N ATOM 241 CA GLY A 18 -11.961 14.372 -16.498 1.00 0.00 C ATOM 242 C GLY A 18 -12.621 14.688 -17.826 1.00 0.00 C ATOM 243 O GLY A 18 -12.192 15.594 -18.540 1.00 0.00 O ATOM 0 H GLY A 18 -12.564 13.223 -14.853 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.438 15.257 -16.136 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.210 13.596 -16.645 1.00 0.00 H new ATOM 247 N MET A 19 -13.665 13.937 -18.159 1.00 0.00 N ATOM 248 CA MET A 19 -14.385 14.141 -19.411 1.00 0.00 C ATOM 249 C MET A 19 -14.906 15.571 -19.511 1.00 0.00 C ATOM 250 O MET A 19 -14.732 16.237 -20.532 1.00 0.00 O ATOM 251 CB MET A 19 -15.547 13.153 -19.524 1.00 0.00 C ATOM 252 CG MET A 19 -15.103 11.706 -19.658 1.00 0.00 C ATOM 253 SD MET A 19 -16.491 10.559 -19.757 1.00 0.00 S ATOM 254 CE MET A 19 -15.647 8.989 -19.582 1.00 0.00 C ATOM 0 H MET A 19 -14.032 13.182 -17.580 1.00 0.00 H new ATOM 0 HA MET A 19 -13.690 13.968 -20.233 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.182 13.250 -18.643 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.157 13.419 -20.388 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.486 11.601 -20.550 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.478 11.441 -18.805 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.288 8.188 -19.951 1.00 0.00 H new ATOM 0 HE2 MET A 19 -14.721 9.007 -20.157 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.417 8.815 -18.531 1.00 0.00 H new ATOM 264 N LYS A 20 -15.547 16.038 -18.445 1.00 0.00 N ATOM 265 CA LYS A 20 -16.094 17.390 -18.411 1.00 0.00 C ATOM 266 C LYS A 20 -15.028 18.417 -18.779 1.00 0.00 C ATOM 267 O LYS A 20 -15.278 19.333 -19.564 1.00 0.00 O ATOM 268 CB LYS A 20 -16.658 17.699 -17.023 1.00 0.00 C ATOM 269 CG LYS A 20 -18.119 17.315 -16.861 1.00 0.00 C ATOM 270 CD LYS A 20 -18.276 15.831 -16.574 1.00 0.00 C ATOM 271 CE LYS A 20 -18.055 15.522 -15.101 1.00 0.00 C ATOM 272 NZ LYS A 20 -19.177 16.014 -14.256 1.00 0.00 N ATOM 0 H LYS A 20 -15.701 15.500 -17.592 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.898 17.449 -19.144 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.067 17.171 -16.274 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.547 18.765 -16.824 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.560 17.892 -16.049 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.666 17.571 -17.768 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.273 15.506 -16.869 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.565 15.266 -17.176 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.946 14.446 -14.968 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.123 15.980 -14.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.142 15.548 -13.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.092 17.043 -14.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.082 15.796 -14.719 1.00 0.00 H new ATOM 286 N THR A 21 -13.838 18.259 -18.209 1.00 0.00 N ATOM 287 CA THR A 21 -12.734 19.172 -18.477 1.00 0.00 C ATOM 288 C THR A 21 -11.923 18.714 -19.683 1.00 0.00 C ATOM 289 O THR A 21 -10.713 18.934 -19.751 1.00 0.00 O ATOM 290 CB THR A 21 -11.798 19.295 -17.259 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.072 18.075 -17.075 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.588 19.616 -16.000 1.00 0.00 C ATOM 0 H THR A 21 -13.614 17.506 -17.558 1.00 0.00 H new ATOM 0 HA THR A 21 -13.174 20.147 -18.687 1.00 0.00 H new ATOM 0 HB THR A 21 -11.098 20.109 -17.447 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.543 17.343 -17.524 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.906 19.698 -15.154 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.117 20.560 -16.133 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.308 18.820 -15.810 1.00 0.00 H new ATOM 300 N LYS A 22 -12.595 18.077 -20.635 1.00 0.00 N ATOM 301 CA LYS A 22 -11.937 17.590 -21.842 1.00 0.00 C ATOM 302 C LYS A 22 -10.552 17.039 -21.521 1.00 0.00 C ATOM 303 O LYS A 22 -9.655 17.061 -22.363 1.00 0.00 O ATOM 304 CB LYS A 22 -11.825 18.713 -22.876 1.00 0.00 C ATOM 305 CG LYS A 22 -13.159 19.341 -23.239 1.00 0.00 C ATOM 306 CD LYS A 22 -14.031 18.380 -24.030 1.00 0.00 C ATOM 307 CE LYS A 22 -15.147 19.112 -24.758 1.00 0.00 C ATOM 308 NZ LYS A 22 -15.832 18.235 -25.748 1.00 0.00 N ATOM 0 H LYS A 22 -13.596 17.885 -20.594 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.542 16.784 -22.256 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.162 19.487 -22.489 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.361 18.318 -23.780 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.680 19.642 -22.330 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.989 20.245 -23.824 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.418 17.840 -24.751 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.460 17.638 -23.357 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.874 19.479 -24.033 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.737 19.984 -25.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.586 18.771 -26.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.144 17.905 -26.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.245 17.416 -25.259 1.00 0.00 H new ATOM 322 N ASN A 23 -10.385 16.543 -20.299 1.00 0.00 N ATOM 323 CA ASN A 23 -9.108 15.986 -19.868 1.00 0.00 C ATOM 324 C ASN A 23 -9.314 14.679 -19.108 1.00 0.00 C ATOM 325 O ASN A 23 -9.865 14.671 -18.007 1.00 0.00 O ATOM 326 CB ASN A 23 -8.361 16.989 -18.988 1.00 0.00 C ATOM 327 CG ASN A 23 -8.181 18.333 -19.667 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.914 18.404 -20.867 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.327 19.407 -18.900 1.00 0.00 N ATOM 0 H ASN A 23 -11.118 16.516 -19.590 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.512 15.779 -20.757 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.907 17.127 -18.055 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.384 16.583 -18.728 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.218 20.339 -19.301 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.548 19.300 -17.910 1.00 0.00 H new ATOM 336 N ILE A 24 -8.868 13.578 -19.703 1.00 0.00 N ATOM 337 CA ILE A 24 -9.002 12.267 -19.081 1.00 0.00 C ATOM 338 C ILE A 24 -7.753 11.906 -18.284 1.00 0.00 C ATOM 339 O ILE A 24 -6.623 12.133 -18.717 1.00 0.00 O ATOM 340 CB ILE A 24 -9.263 11.170 -20.130 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.517 11.499 -20.942 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.403 9.814 -19.455 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.753 11.694 -20.093 1.00 0.00 C ATOM 0 H ILE A 24 -8.411 13.568 -20.615 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.856 12.324 -18.407 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.413 11.129 -20.811 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.338 12.405 -21.521 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.699 10.695 -21.655 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.587 9.049 -20.210 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.485 9.579 -18.917 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.238 9.841 -18.754 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.603 11.924 -20.735 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.958 10.781 -19.533 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.590 12.517 -19.397 1.00 0.00 H new ATOM 355 N PRO A 25 -7.958 11.327 -17.092 1.00 0.00 N ATOM 356 CA PRO A 25 -6.860 10.919 -16.210 1.00 0.00 C ATOM 357 C PRO A 25 -6.083 9.730 -16.764 1.00 0.00 C ATOM 358 O PRO A 25 -6.612 8.623 -16.867 1.00 0.00 O ATOM 359 CB PRO A 25 -7.572 10.535 -14.911 1.00 0.00 C ATOM 360 CG PRO A 25 -8.949 10.153 -15.332 1.00 0.00 C ATOM 361 CD PRO A 25 -9.277 11.025 -16.513 1.00 0.00 C ATOM 0 HA PRO A 25 -6.120 11.710 -16.088 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.067 9.708 -14.412 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.590 11.368 -14.208 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.996 9.098 -15.601 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.662 10.308 -14.522 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.920 10.510 -17.226 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.800 11.932 -16.210 1.00 0.00 H new ATOM 369 N VAL A 26 -4.823 9.964 -17.119 1.00 0.00 N ATOM 370 CA VAL A 26 -3.973 8.911 -17.661 1.00 0.00 C ATOM 371 C VAL A 26 -3.425 8.022 -16.551 1.00 0.00 C ATOM 372 O VAL A 26 -3.196 8.479 -15.431 1.00 0.00 O ATOM 373 CB VAL A 26 -2.795 9.498 -18.462 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.297 10.491 -19.499 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.789 10.152 -17.527 1.00 0.00 C ATOM 0 H VAL A 26 -4.369 10.874 -17.041 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.595 8.313 -18.328 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.293 8.685 -18.987 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.451 10.895 -20.055 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.976 9.987 -20.187 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.824 11.304 -18.999 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.964 10.561 -18.109 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.276 10.955 -16.973 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.406 9.409 -16.827 1.00 0.00 H new ATOM 385 N TYR A 27 -3.217 6.749 -16.869 1.00 0.00 N ATOM 386 CA TYR A 27 -2.698 5.793 -15.897 1.00 0.00 C ATOM 387 C TYR A 27 -1.564 4.968 -16.498 1.00 0.00 C ATOM 388 O TYR A 27 -1.795 4.093 -17.332 1.00 0.00 O ATOM 389 CB TYR A 27 -3.816 4.869 -15.412 1.00 0.00 C ATOM 390 CG TYR A 27 -4.869 5.574 -14.587 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.815 6.395 -15.188 1.00 0.00 C ATOM 392 CD2 TYR A 27 -4.919 5.417 -13.208 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.779 7.041 -14.438 1.00 0.00 C ATOM 394 CE2 TYR A 27 -5.880 6.058 -12.450 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.807 6.870 -13.070 1.00 0.00 C ATOM 396 OH TYR A 27 -7.767 7.510 -12.320 1.00 0.00 O ATOM 0 H TYR A 27 -3.400 6.355 -17.792 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.305 6.352 -15.048 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.293 4.406 -16.276 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.380 4.065 -14.819 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.797 6.531 -16.259 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.194 4.783 -12.720 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.507 7.677 -14.921 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.905 5.924 -11.379 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.611 7.014 -12.376 1.00 0.00 H new ATOM 406 N GLU A 28 -0.340 5.253 -16.066 1.00 0.00 N ATOM 407 CA GLU A 28 0.830 4.537 -16.561 1.00 0.00 C ATOM 408 C GLU A 28 1.623 3.928 -15.408 1.00 0.00 C ATOM 409 O GLU A 28 1.690 4.497 -14.318 1.00 0.00 O ATOM 410 CB GLU A 28 1.726 5.477 -17.370 1.00 0.00 C ATOM 411 CG GLU A 28 2.819 4.759 -18.145 1.00 0.00 C ATOM 412 CD GLU A 28 3.668 5.707 -18.969 1.00 0.00 C ATOM 413 OE1 GLU A 28 3.170 6.206 -19.999 1.00 0.00 O ATOM 414 OE2 GLU A 28 4.831 5.948 -18.583 1.00 0.00 O ATOM 0 H GLU A 28 -0.133 5.974 -15.375 1.00 0.00 H new ATOM 0 HA GLU A 28 0.484 3.730 -17.208 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.109 6.042 -18.068 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.185 6.198 -16.694 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.458 4.218 -17.448 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.366 4.018 -18.803 1.00 0.00 H new ATOM 421 N CYS A 29 2.221 2.768 -15.657 1.00 0.00 N ATOM 422 CA CYS A 29 3.009 2.080 -14.640 1.00 0.00 C ATOM 423 C CYS A 29 4.485 2.442 -14.759 1.00 0.00 C ATOM 424 O CYS A 29 5.139 2.105 -15.746 1.00 0.00 O ATOM 425 CB CYS A 29 2.830 0.566 -14.765 1.00 0.00 C ATOM 426 SG CYS A 29 3.303 -0.102 -16.377 1.00 0.00 S ATOM 0 H CYS A 29 2.175 2.284 -16.554 1.00 0.00 H new ATOM 0 HA CYS A 29 2.653 2.401 -13.661 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.422 0.076 -13.992 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.786 0.317 -14.572 1.00 0.00 H new ATOM 0 HG CYS A 29 4.322 0.560 -16.839 1.00 0.00 H new ATOM 432 N GLU A 30 5.004 3.131 -13.748 1.00 0.00 N ATOM 433 CA GLU A 30 6.404 3.541 -13.742 1.00 0.00 C ATOM 434 C GLU A 30 7.302 2.401 -13.270 1.00 0.00 C ATOM 435 O GLU A 30 8.292 2.067 -13.920 1.00 0.00 O ATOM 436 CB GLU A 30 6.596 4.763 -12.842 1.00 0.00 C ATOM 437 CG GLU A 30 5.896 6.011 -13.352 1.00 0.00 C ATOM 438 CD GLU A 30 6.593 6.623 -14.551 1.00 0.00 C ATOM 439 OE1 GLU A 30 7.770 7.019 -14.414 1.00 0.00 O ATOM 440 OE2 GLU A 30 5.964 6.705 -15.626 1.00 0.00 O ATOM 0 H GLU A 30 4.477 3.417 -12.923 1.00 0.00 H new ATOM 0 HA GLU A 30 6.685 3.803 -14.762 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.224 4.531 -11.844 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.662 4.969 -12.745 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.869 5.763 -13.621 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.846 6.748 -12.550 1.00 0.00 H new ATOM 447 N ARG A 31 6.949 1.809 -12.133 1.00 0.00 N ATOM 448 CA ARG A 31 7.723 0.708 -11.573 1.00 0.00 C ATOM 449 C ARG A 31 6.841 -0.516 -11.345 1.00 0.00 C ATOM 450 O ARG A 31 5.715 -0.401 -10.863 1.00 0.00 O ATOM 451 CB ARG A 31 8.374 1.134 -10.255 1.00 0.00 C ATOM 452 CG ARG A 31 9.616 1.990 -10.438 1.00 0.00 C ATOM 453 CD ARG A 31 9.263 3.463 -10.574 1.00 0.00 C ATOM 454 NE ARG A 31 10.372 4.244 -11.116 1.00 0.00 N ATOM 455 CZ ARG A 31 11.496 4.483 -10.451 1.00 0.00 C ATOM 456 NH1 ARG A 31 11.660 4.004 -9.225 1.00 0.00 N ATOM 457 NH2 ARG A 31 12.460 5.203 -11.011 1.00 0.00 N ATOM 0 H ARG A 31 6.132 2.074 -11.582 1.00 0.00 H new ATOM 0 HA ARG A 31 8.503 0.444 -12.287 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.646 1.687 -9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.638 0.243 -9.685 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.283 1.852 -9.587 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.158 1.661 -11.325 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.394 3.569 -11.223 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.983 3.860 -9.598 1.00 0.00 H new ATOM 0 HE ARG A 31 10.278 4.627 -12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.922 3.450 -8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.525 4.189 -8.717 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.338 5.574 -11.953 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.323 5.386 -10.499 1.00 0.00 H new ATOM 471 N SER A 32 7.362 -1.687 -11.695 1.00 0.00 N ATOM 472 CA SER A 32 6.621 -2.933 -11.533 1.00 0.00 C ATOM 473 C SER A 32 7.507 -4.017 -10.926 1.00 0.00 C ATOM 474 O SER A 32 8.477 -4.458 -11.541 1.00 0.00 O ATOM 475 CB SER A 32 6.072 -3.403 -12.882 1.00 0.00 C ATOM 476 OG SER A 32 5.323 -2.380 -13.512 1.00 0.00 O ATOM 0 H SER A 32 8.294 -1.800 -12.093 1.00 0.00 H new ATOM 0 HA SER A 32 5.788 -2.747 -10.855 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.896 -3.705 -13.528 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.443 -4.281 -12.736 1.00 0.00 H new ATOM 0 HG SER A 32 4.368 -2.528 -13.351 1.00 0.00 H new ATOM 482 N ASP A 33 7.164 -4.441 -9.714 1.00 0.00 N ATOM 483 CA ASP A 33 7.926 -5.473 -9.022 1.00 0.00 C ATOM 484 C ASP A 33 7.036 -6.661 -8.668 1.00 0.00 C ATOM 485 O ASP A 33 6.023 -6.509 -7.985 1.00 0.00 O ATOM 486 CB ASP A 33 8.564 -4.903 -7.754 1.00 0.00 C ATOM 487 CG ASP A 33 9.858 -5.605 -7.391 1.00 0.00 C ATOM 488 OD1 ASP A 33 10.703 -5.795 -8.291 1.00 0.00 O ATOM 489 OD2 ASP A 33 10.026 -5.966 -6.207 1.00 0.00 O ATOM 0 H ASP A 33 6.363 -4.086 -9.191 1.00 0.00 H new ATOM 0 HA ASP A 33 8.713 -5.818 -9.692 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.758 -3.840 -7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.861 -4.992 -6.926 1.00 0.00 H new ATOM 494 N VAL A 34 7.420 -7.843 -9.140 1.00 0.00 N ATOM 495 CA VAL A 34 6.657 -9.056 -8.874 1.00 0.00 C ATOM 496 C VAL A 34 7.465 -10.042 -8.038 1.00 0.00 C ATOM 497 O VAL A 34 8.285 -10.792 -8.567 1.00 0.00 O ATOM 498 CB VAL A 34 6.223 -9.745 -10.181 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.151 -8.927 -10.885 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.422 -9.962 -11.092 1.00 0.00 C ATOM 0 H VAL A 34 8.255 -7.986 -9.708 1.00 0.00 H new ATOM 0 HA VAL A 34 5.769 -8.755 -8.318 1.00 0.00 H new ATOM 0 HB VAL A 34 5.801 -10.719 -9.935 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.857 -9.429 -11.807 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.283 -8.827 -10.233 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.544 -7.938 -11.120 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.097 -10.450 -12.011 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.875 -9.000 -11.332 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.154 -10.592 -10.586 1.00 0.00 H new ATOM 510 N GLN A 35 7.229 -10.034 -6.730 1.00 0.00 N ATOM 511 CA GLN A 35 7.936 -10.928 -5.821 1.00 0.00 C ATOM 512 C GLN A 35 6.956 -11.807 -5.050 1.00 0.00 C ATOM 513 O GLN A 35 7.340 -12.829 -4.482 1.00 0.00 O ATOM 514 CB GLN A 35 8.793 -10.121 -4.843 1.00 0.00 C ATOM 515 CG GLN A 35 9.871 -9.291 -5.522 1.00 0.00 C ATOM 516 CD GLN A 35 10.771 -8.581 -4.530 1.00 0.00 C ATOM 517 OE1 GLN A 35 10.371 -7.600 -3.902 1.00 0.00 O ATOM 518 NE2 GLN A 35 11.996 -9.073 -4.383 1.00 0.00 N ATOM 0 H GLN A 35 6.554 -9.419 -6.276 1.00 0.00 H new ATOM 0 HA GLN A 35 8.584 -11.572 -6.416 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.146 -9.460 -4.266 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.263 -10.804 -4.136 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.476 -9.938 -6.158 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.401 -8.554 -6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.287 -9.888 -4.923 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.646 -8.636 -3.730 1.00 0.00 H new ATOM 527 N ILE A 36 5.691 -11.402 -5.035 1.00 0.00 N ATOM 528 CA ILE A 36 4.657 -12.153 -4.335 1.00 0.00 C ATOM 529 C ILE A 36 3.356 -12.171 -5.131 1.00 0.00 C ATOM 530 O ILE A 36 3.265 -11.576 -6.205 1.00 0.00 O ATOM 531 CB ILE A 36 4.383 -11.566 -2.938 1.00 0.00 C ATOM 532 CG1 ILE A 36 3.918 -10.113 -3.054 1.00 0.00 C ATOM 533 CG2 ILE A 36 5.628 -11.662 -2.069 1.00 0.00 C ATOM 534 CD1 ILE A 36 5.056 -9.117 -3.103 1.00 0.00 C ATOM 0 H ILE A 36 5.357 -10.558 -5.500 1.00 0.00 H new ATOM 0 HA ILE A 36 5.027 -13.172 -4.225 1.00 0.00 H new ATOM 0 HB ILE A 36 3.589 -12.145 -2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.312 -10.005 -3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.275 -9.877 -2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.418 -11.243 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.919 -12.707 -1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.441 -11.105 -2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.653 -8.108 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.649 -9.198 -2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.687 -9.327 -3.967 1.00 0.00 H new ATOM 546 N HIS A 37 2.351 -12.857 -4.596 1.00 0.00 N ATOM 547 CA HIS A 37 1.053 -12.951 -5.255 1.00 0.00 C ATOM 548 C HIS A 37 0.578 -11.577 -5.718 1.00 0.00 C ATOM 549 O HIS A 37 0.122 -11.415 -6.849 1.00 0.00 O ATOM 550 CB HIS A 37 0.021 -13.569 -4.311 1.00 0.00 C ATOM 551 CG HIS A 37 -0.034 -12.907 -2.968 1.00 0.00 C ATOM 552 ND1 HIS A 37 0.805 -12.984 -1.908 1.00 0.00 N flip ATOM 553 CD2 HIS A 37 -1.045 -12.048 -2.593 1.00 0.00 C flip ATOM 554 CE1 HIS A 37 0.290 -12.177 -0.923 1.00 0.00 C flip ATOM 555 NE2 HIS A 37 -0.826 -11.623 -1.362 1.00 0.00 N flip ATOM 0 H HIS A 37 2.410 -13.356 -3.708 1.00 0.00 H new ATOM 0 HA HIS A 37 1.163 -13.592 -6.130 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.964 -13.513 -4.775 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.250 -14.626 -4.177 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -1.885 -11.766 -3.210 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.727 -12.021 0.052 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -1.418 -10.977 -0.839 1.00 0.00 H new ATOM 563 N VAL A 38 0.689 -10.589 -4.835 1.00 0.00 N ATOM 564 CA VAL A 38 0.271 -9.229 -5.153 1.00 0.00 C ATOM 565 C VAL A 38 1.476 -8.319 -5.362 1.00 0.00 C ATOM 566 O VAL A 38 2.098 -7.842 -4.412 1.00 0.00 O ATOM 567 CB VAL A 38 -0.616 -8.640 -4.040 1.00 0.00 C ATOM 568 CG1 VAL A 38 0.154 -8.557 -2.731 1.00 0.00 C ATOM 569 CG2 VAL A 38 -1.141 -7.271 -4.447 1.00 0.00 C ATOM 0 H VAL A 38 1.065 -10.705 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.305 -9.282 -6.077 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.469 -9.302 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.489 -8.139 -1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.476 -9.555 -2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.027 -7.918 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.766 -6.869 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.302 -6.598 -4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.731 -7.364 -5.359 1.00 0.00 H new ATOM 579 N PRO A 39 1.815 -8.071 -6.636 1.00 0.00 N ATOM 580 CA PRO A 39 2.948 -7.215 -7.001 1.00 0.00 C ATOM 581 C PRO A 39 2.692 -5.746 -6.679 1.00 0.00 C ATOM 582 O PRO A 39 1.694 -5.403 -6.045 1.00 0.00 O ATOM 583 CB PRO A 39 3.074 -7.417 -8.513 1.00 0.00 C ATOM 584 CG PRO A 39 1.709 -7.818 -8.955 1.00 0.00 C ATOM 585 CD PRO A 39 1.119 -8.605 -7.818 1.00 0.00 C ATOM 0 HA PRO A 39 3.850 -7.475 -6.446 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.398 -6.502 -9.009 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.809 -8.186 -8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.100 -6.943 -9.181 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.754 -8.419 -9.863 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.041 -8.463 -7.748 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.292 -9.675 -7.937 1.00 0.00 H new ATOM 593 N THR A 40 3.600 -4.881 -7.122 1.00 0.00 N ATOM 594 CA THR A 40 3.473 -3.450 -6.881 1.00 0.00 C ATOM 595 C THR A 40 3.556 -2.663 -8.184 1.00 0.00 C ATOM 596 O THR A 40 4.611 -2.601 -8.817 1.00 0.00 O ATOM 597 CB THR A 40 4.564 -2.943 -5.918 1.00 0.00 C ATOM 598 OG1 THR A 40 5.845 -3.434 -6.328 1.00 0.00 O ATOM 599 CG2 THR A 40 4.276 -3.388 -4.492 1.00 0.00 C ATOM 0 H THR A 40 4.431 -5.148 -7.650 1.00 0.00 H new ATOM 0 HA THR A 40 2.495 -3.292 -6.426 1.00 0.00 H new ATOM 0 HB THR A 40 4.567 -1.853 -5.947 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.950 -3.307 -7.294 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.059 -3.018 -3.830 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.313 -2.988 -4.173 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.249 -4.477 -4.449 1.00 0.00 H new ATOM 607 N PHE A 41 2.438 -2.063 -8.580 1.00 0.00 N ATOM 608 CA PHE A 41 2.385 -1.280 -9.809 1.00 0.00 C ATOM 609 C PHE A 41 2.142 0.195 -9.504 1.00 0.00 C ATOM 610 O PHE A 41 1.072 0.575 -9.027 1.00 0.00 O ATOM 611 CB PHE A 41 1.284 -1.811 -10.729 1.00 0.00 C ATOM 612 CG PHE A 41 1.652 -3.086 -11.432 1.00 0.00 C ATOM 613 CD1 PHE A 41 1.789 -4.269 -10.722 1.00 0.00 C ATOM 614 CD2 PHE A 41 1.861 -3.103 -12.801 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.127 -5.444 -11.365 1.00 0.00 C ATOM 616 CE2 PHE A 41 2.199 -4.276 -13.450 1.00 0.00 C ATOM 617 CZ PHE A 41 2.334 -5.448 -12.731 1.00 0.00 C ATOM 0 H PHE A 41 1.557 -2.104 -8.068 1.00 0.00 H new ATOM 0 HA PHE A 41 3.347 -1.374 -10.313 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.380 -1.977 -10.142 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.046 -1.051 -11.473 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.630 -4.272 -9.654 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.759 -2.190 -13.368 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.229 -6.359 -10.800 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.357 -4.276 -14.518 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.601 -6.365 -13.235 1.00 0.00 H new ATOM 627 N THR A 42 3.144 1.023 -9.782 1.00 0.00 N ATOM 628 CA THR A 42 3.042 2.456 -9.537 1.00 0.00 C ATOM 629 C THR A 42 2.326 3.161 -10.684 1.00 0.00 C ATOM 630 O THR A 42 2.913 3.407 -11.737 1.00 0.00 O ATOM 631 CB THR A 42 4.431 3.094 -9.345 1.00 0.00 C ATOM 632 OG1 THR A 42 5.131 2.432 -8.286 1.00 0.00 O ATOM 633 CG2 THR A 42 4.306 4.577 -9.028 1.00 0.00 C ATOM 0 H THR A 42 4.036 0.725 -10.177 1.00 0.00 H new ATOM 0 HA THR A 42 2.464 2.579 -8.621 1.00 0.00 H new ATOM 0 HB THR A 42 4.990 2.983 -10.274 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.014 2.842 -8.171 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.299 5.006 -8.897 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.798 5.083 -9.849 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.731 4.706 -8.111 1.00 0.00 H new ATOM 641 N PHE A 43 1.054 3.483 -10.472 1.00 0.00 N ATOM 642 CA PHE A 43 0.258 4.160 -11.489 1.00 0.00 C ATOM 643 C PHE A 43 0.307 5.673 -11.301 1.00 0.00 C ATOM 644 O PHE A 43 0.011 6.185 -10.221 1.00 0.00 O ATOM 645 CB PHE A 43 -1.193 3.675 -11.437 1.00 0.00 C ATOM 646 CG PHE A 43 -1.455 2.476 -12.303 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.426 2.581 -13.684 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.731 1.242 -11.735 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.668 1.479 -14.482 1.00 0.00 C ATOM 650 CE2 PHE A 43 -1.973 0.136 -12.528 1.00 0.00 C ATOM 651 CZ PHE A 43 -1.940 0.255 -13.903 1.00 0.00 C ATOM 0 H PHE A 43 0.553 3.286 -9.606 1.00 0.00 H new ATOM 0 HA PHE A 43 0.680 3.919 -12.465 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.450 3.432 -10.406 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.851 4.487 -11.746 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.212 3.535 -14.142 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.757 1.144 -10.660 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.644 1.575 -15.557 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.188 -0.820 -12.073 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.127 -0.608 -14.525 1.00 0.00 H new ATOM 661 N ARG A 44 0.683 6.383 -12.359 1.00 0.00 N ATOM 662 CA ARG A 44 0.774 7.837 -12.311 1.00 0.00 C ATOM 663 C ARG A 44 -0.456 8.480 -12.946 1.00 0.00 C ATOM 664 O ARG A 44 -0.783 8.211 -14.102 1.00 0.00 O ATOM 665 CB ARG A 44 2.039 8.315 -13.026 1.00 0.00 C ATOM 666 CG ARG A 44 2.324 9.796 -12.835 1.00 0.00 C ATOM 667 CD ARG A 44 3.778 10.126 -13.132 1.00 0.00 C ATOM 668 NE ARG A 44 4.088 10.002 -14.554 1.00 0.00 N ATOM 669 CZ ARG A 44 5.300 10.198 -15.062 1.00 0.00 C ATOM 670 NH1 ARG A 44 6.310 10.525 -14.268 1.00 0.00 N ATOM 671 NH2 ARG A 44 5.503 10.066 -16.367 1.00 0.00 N ATOM 0 H ARG A 44 0.930 5.975 -13.261 1.00 0.00 H new ATOM 0 HA ARG A 44 0.821 8.138 -11.265 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.891 7.740 -12.663 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.945 8.106 -14.092 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.676 10.380 -13.489 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.086 10.084 -11.811 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.994 11.142 -12.801 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.425 9.460 -12.561 1.00 0.00 H new ATOM 0 HE ARG A 44 3.333 9.751 -15.192 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.158 10.627 -13.265 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.239 10.675 -14.661 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.728 9.814 -16.981 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.434 10.217 -16.756 1.00 0.00 H new ATOM 685 N VAL A 45 -1.134 9.330 -12.182 1.00 0.00 N ATOM 686 CA VAL A 45 -2.327 10.012 -12.670 1.00 0.00 C ATOM 687 C VAL A 45 -2.029 11.469 -13.006 1.00 0.00 C ATOM 688 O VAL A 45 -1.613 12.244 -12.145 1.00 0.00 O ATOM 689 CB VAL A 45 -3.467 9.958 -11.635 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.269 11.022 -10.567 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.816 10.123 -12.320 1.00 0.00 C ATOM 0 H VAL A 45 -0.878 9.563 -11.223 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.642 9.491 -13.574 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.448 8.982 -11.150 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.084 10.969 -9.845 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.320 10.854 -10.057 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.261 12.008 -11.032 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.610 10.082 -11.574 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.849 11.084 -12.833 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.957 9.321 -13.044 1.00 0.00 H new ATOM 701 N THR A 46 -2.246 11.836 -14.266 1.00 0.00 N ATOM 702 CA THR A 46 -2.000 13.200 -14.717 1.00 0.00 C ATOM 703 C THR A 46 -3.275 13.839 -15.254 1.00 0.00 C ATOM 704 O THR A 46 -3.746 13.495 -16.338 1.00 0.00 O ATOM 705 CB THR A 46 -0.918 13.242 -15.812 1.00 0.00 C ATOM 706 OG1 THR A 46 0.318 12.732 -15.300 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.715 14.663 -16.318 1.00 0.00 C ATOM 0 H THR A 46 -2.591 11.208 -14.991 1.00 0.00 H new ATOM 0 HA THR A 46 -1.652 13.762 -13.850 1.00 0.00 H new ATOM 0 HB THR A 46 -1.250 12.621 -16.644 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.000 12.761 -16.003 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.054 14.668 -17.091 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.650 15.038 -16.734 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.403 15.302 -15.492 1.00 0.00 H new ATOM 715 N VAL A 47 -3.831 14.774 -14.488 1.00 0.00 N ATOM 716 CA VAL A 47 -5.051 15.463 -14.888 1.00 0.00 C ATOM 717 C VAL A 47 -4.822 16.966 -15.000 1.00 0.00 C ATOM 718 O VAL A 47 -4.639 17.654 -13.996 1.00 0.00 O ATOM 719 CB VAL A 47 -6.195 15.203 -13.890 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.421 16.027 -14.255 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.534 13.721 -13.844 1.00 0.00 C ATOM 0 H VAL A 47 -3.455 15.071 -13.587 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.332 15.067 -15.864 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.864 15.509 -12.897 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.218 15.830 -13.539 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.167 17.087 -14.233 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.757 15.756 -15.256 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.344 13.555 -13.134 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.845 13.388 -14.834 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.656 13.156 -13.531 1.00 0.00 H new ATOM 731 N GLY A 48 -4.833 17.471 -16.230 1.00 0.00 N ATOM 732 CA GLY A 48 -4.625 18.890 -16.452 1.00 0.00 C ATOM 733 C GLY A 48 -3.257 19.354 -15.993 1.00 0.00 C ATOM 734 O GLY A 48 -2.290 19.306 -16.754 1.00 0.00 O ATOM 0 H GLY A 48 -4.982 16.922 -17.077 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.743 19.110 -17.513 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.393 19.454 -15.923 1.00 0.00 H new ATOM 738 N ASP A 49 -3.174 19.807 -14.747 1.00 0.00 N ATOM 739 CA ASP A 49 -1.914 20.282 -14.188 1.00 0.00 C ATOM 740 C ASP A 49 -1.507 19.447 -12.978 1.00 0.00 C ATOM 741 O ASP A 49 -0.351 19.473 -12.554 1.00 0.00 O ATOM 742 CB ASP A 49 -2.032 21.755 -13.790 1.00 0.00 C ATOM 743 CG ASP A 49 -2.069 22.677 -14.993 1.00 0.00 C ATOM 744 OD1 ASP A 49 -2.952 22.491 -15.856 1.00 0.00 O ATOM 745 OD2 ASP A 49 -1.215 23.586 -15.071 1.00 0.00 O ATOM 0 H ASP A 49 -3.965 19.855 -14.105 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.144 20.180 -14.953 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.936 21.897 -13.198 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.189 22.025 -13.154 1.00 0.00 H new ATOM 750 N ILE A 50 -2.464 18.708 -12.426 1.00 0.00 N ATOM 751 CA ILE A 50 -2.204 17.866 -11.266 1.00 0.00 C ATOM 752 C ILE A 50 -1.659 16.504 -11.685 1.00 0.00 C ATOM 753 O ILE A 50 -2.218 15.842 -12.560 1.00 0.00 O ATOM 754 CB ILE A 50 -3.477 17.659 -10.424 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.090 19.010 -10.047 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.161 16.849 -9.175 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.584 18.952 -9.818 1.00 0.00 C ATOM 0 H ILE A 50 -3.426 18.676 -12.764 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.458 18.383 -10.662 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.202 17.104 -11.019 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.606 19.380 -9.143 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.879 19.729 -10.839 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.071 16.711 -8.591 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.764 15.876 -9.463 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.421 17.379 -8.575 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.951 19.944 -9.555 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.079 18.612 -10.728 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.801 18.258 -9.006 1.00 0.00 H new ATOM 769 N THR A 51 -0.565 16.091 -11.054 1.00 0.00 N ATOM 770 CA THR A 51 0.056 14.808 -11.360 1.00 0.00 C ATOM 771 C THR A 51 0.442 14.066 -10.086 1.00 0.00 C ATOM 772 O THR A 51 1.339 14.491 -9.356 1.00 0.00 O ATOM 773 CB THR A 51 1.309 14.986 -12.237 1.00 0.00 C ATOM 774 OG1 THR A 51 0.927 15.219 -13.598 1.00 0.00 O ATOM 775 CG2 THR A 51 2.203 13.757 -12.160 1.00 0.00 C ATOM 0 H THR A 51 -0.090 16.627 -10.327 1.00 0.00 H new ATOM 0 HA THR A 51 -0.682 14.222 -11.908 1.00 0.00 H new ATOM 0 HB THR A 51 1.866 15.846 -11.864 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.791 14.361 -14.051 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.082 13.906 -12.788 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.517 13.599 -11.128 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.652 12.884 -12.509 1.00 0.00 H new ATOM 783 N CYS A 52 -0.238 12.955 -9.825 1.00 0.00 N ATOM 784 CA CYS A 52 0.034 12.153 -8.637 1.00 0.00 C ATOM 785 C CYS A 52 0.392 10.721 -9.019 1.00 0.00 C ATOM 786 O CYS A 52 0.360 10.353 -10.194 1.00 0.00 O ATOM 787 CB CYS A 52 -1.178 12.157 -7.705 1.00 0.00 C ATOM 788 SG CYS A 52 -1.482 13.746 -6.897 1.00 0.00 S ATOM 0 H CYS A 52 -0.981 12.589 -10.420 1.00 0.00 H new ATOM 0 HA CYS A 52 0.884 12.595 -8.117 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.063 11.877 -8.276 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.037 11.393 -6.940 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.632 13.561 -5.619 1.00 0.00 H new ATOM 794 N THR A 53 0.737 9.915 -8.019 1.00 0.00 N ATOM 795 CA THR A 53 1.104 8.524 -8.250 1.00 0.00 C ATOM 796 C THR A 53 0.630 7.633 -7.108 1.00 0.00 C ATOM 797 O THR A 53 0.581 8.059 -5.955 1.00 0.00 O ATOM 798 CB THR A 53 2.628 8.365 -8.411 1.00 0.00 C ATOM 799 OG1 THR A 53 3.283 8.631 -7.166 1.00 0.00 O ATOM 800 CG2 THR A 53 3.160 9.307 -9.481 1.00 0.00 C ATOM 0 H THR A 53 0.770 10.203 -7.041 1.00 0.00 H new ATOM 0 HA THR A 53 0.614 8.217 -9.174 1.00 0.00 H new ATOM 0 HB THR A 53 2.834 7.339 -8.717 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.251 8.526 -7.277 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.238 9.177 -9.577 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.681 9.083 -10.434 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.943 10.337 -9.199 1.00 0.00 H new ATOM 808 N GLY A 54 0.281 6.393 -7.436 1.00 0.00 N ATOM 809 CA GLY A 54 -0.185 5.461 -6.426 1.00 0.00 C ATOM 810 C GLY A 54 0.622 4.178 -6.405 1.00 0.00 C ATOM 811 O GLY A 54 0.292 3.219 -7.102 1.00 0.00 O ATOM 0 H GLY A 54 0.313 6.017 -8.384 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.133 5.936 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.233 5.225 -6.610 1.00 0.00 H new ATOM 815 N GLU A 55 1.682 4.160 -5.603 1.00 0.00 N ATOM 816 CA GLU A 55 2.539 2.985 -5.497 1.00 0.00 C ATOM 817 C GLU A 55 2.245 2.211 -4.215 1.00 0.00 C ATOM 818 O GLU A 55 1.864 2.792 -3.200 1.00 0.00 O ATOM 819 CB GLU A 55 4.013 3.396 -5.532 1.00 0.00 C ATOM 820 CG GLU A 55 4.970 2.253 -5.238 1.00 0.00 C ATOM 821 CD GLU A 55 5.250 2.093 -3.756 1.00 0.00 C ATOM 822 OE1 GLU A 55 5.764 3.051 -3.142 1.00 0.00 O ATOM 823 OE2 GLU A 55 4.956 1.009 -3.211 1.00 0.00 O ATOM 0 H GLU A 55 1.968 4.945 -5.018 1.00 0.00 H new ATOM 0 HA GLU A 55 2.330 2.337 -6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.243 3.808 -6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.177 4.192 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.552 1.325 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.909 2.425 -5.765 1.00 0.00 H new ATOM 830 N GLY A 56 2.426 0.895 -4.270 1.00 0.00 N ATOM 831 CA GLY A 56 2.175 0.063 -3.108 1.00 0.00 C ATOM 832 C GLY A 56 1.575 -1.280 -3.475 1.00 0.00 C ATOM 833 O GLY A 56 2.000 -2.319 -2.969 1.00 0.00 O ATOM 0 H GLY A 56 2.742 0.390 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.109 -0.095 -2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.501 0.586 -2.430 1.00 0.00 H new ATOM 837 N THR A 57 0.582 -1.261 -4.359 1.00 0.00 N ATOM 838 CA THR A 57 -0.080 -2.485 -4.792 1.00 0.00 C ATOM 839 C THR A 57 -0.261 -2.507 -6.305 1.00 0.00 C ATOM 840 O THR A 57 0.168 -1.589 -7.005 1.00 0.00 O ATOM 841 CB THR A 57 -1.456 -2.648 -4.119 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.450 -2.017 -2.833 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.813 -4.118 -3.966 1.00 0.00 C ATOM 0 H THR A 57 0.219 -0.411 -4.789 1.00 0.00 H new ATOM 0 HA THR A 57 0.562 -3.314 -4.494 1.00 0.00 H new ATOM 0 HB THR A 57 -2.205 -2.173 -4.753 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.486 -2.702 -2.133 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.789 -4.208 -3.488 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.845 -4.589 -4.949 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.061 -4.613 -3.351 1.00 0.00 H new ATOM 851 N SER A 58 -0.901 -3.560 -6.805 1.00 0.00 N ATOM 852 CA SER A 58 -1.136 -3.702 -8.237 1.00 0.00 C ATOM 853 C SER A 58 -2.417 -2.983 -8.651 1.00 0.00 C ATOM 854 O SER A 58 -3.094 -2.371 -7.825 1.00 0.00 O ATOM 855 CB SER A 58 -1.223 -5.181 -8.616 1.00 0.00 C ATOM 856 OG SER A 58 -1.317 -5.343 -10.021 1.00 0.00 O ATOM 0 H SER A 58 -1.266 -4.327 -6.240 1.00 0.00 H new ATOM 0 HA SER A 58 -0.298 -3.247 -8.765 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.344 -5.707 -8.244 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.091 -5.632 -8.136 1.00 0.00 H new ATOM 0 HG SER A 58 -0.474 -5.070 -10.439 1.00 0.00 H new ATOM 862 N LYS A 59 -2.742 -3.062 -9.937 1.00 0.00 N ATOM 863 CA LYS A 59 -3.942 -2.421 -10.463 1.00 0.00 C ATOM 864 C LYS A 59 -5.075 -2.466 -9.443 1.00 0.00 C ATOM 865 O LYS A 59 -5.927 -1.577 -9.407 1.00 0.00 O ATOM 866 CB LYS A 59 -4.381 -3.102 -11.761 1.00 0.00 C ATOM 867 CG LYS A 59 -3.336 -3.047 -12.862 1.00 0.00 C ATOM 868 CD LYS A 59 -3.467 -4.223 -13.815 1.00 0.00 C ATOM 869 CE LYS A 59 -2.426 -4.161 -14.922 1.00 0.00 C ATOM 870 NZ LYS A 59 -2.717 -3.074 -15.897 1.00 0.00 N ATOM 0 H LYS A 59 -2.192 -3.563 -10.634 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.706 -1.377 -10.670 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.621 -4.144 -11.551 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.297 -2.630 -12.117 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.440 -2.115 -13.417 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.340 -3.045 -12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.356 -5.155 -13.262 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.465 -4.229 -14.253 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.440 -4.002 -14.485 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.393 -5.118 -15.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.499 -3.403 -16.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.723 -2.816 -15.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.133 -2.243 -15.675 1.00 0.00 H new ATOM 884 N LYS A 60 -5.079 -3.505 -8.615 1.00 0.00 N ATOM 885 CA LYS A 60 -6.106 -3.665 -7.593 1.00 0.00 C ATOM 886 C LYS A 60 -6.259 -2.389 -6.772 1.00 0.00 C ATOM 887 O LYS A 60 -7.255 -1.674 -6.896 1.00 0.00 O ATOM 888 CB LYS A 60 -5.759 -4.838 -6.672 1.00 0.00 C ATOM 889 CG LYS A 60 -6.977 -5.543 -6.101 1.00 0.00 C ATOM 890 CD LYS A 60 -7.438 -6.677 -7.001 1.00 0.00 C ATOM 891 CE LYS A 60 -8.114 -7.782 -6.203 1.00 0.00 C ATOM 892 NZ LYS A 60 -7.185 -8.403 -5.219 1.00 0.00 N ATOM 0 H LYS A 60 -4.382 -4.249 -8.632 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.053 -3.871 -8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.159 -5.559 -7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.142 -4.474 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.741 -5.935 -5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.788 -4.825 -5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.131 -6.291 -7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.583 -7.086 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.979 -7.375 -5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.486 -8.547 -6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.460 -9.393 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.214 -8.368 -5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.232 -7.882 -4.320 1.00 0.00 H new ATOM 906 N LEU A 61 -5.268 -2.107 -5.934 1.00 0.00 N ATOM 907 CA LEU A 61 -5.292 -0.915 -5.093 1.00 0.00 C ATOM 908 C LEU A 61 -4.552 0.239 -5.762 1.00 0.00 C ATOM 909 O LEU A 61 -5.089 1.337 -5.899 1.00 0.00 O ATOM 910 CB LEU A 61 -4.666 -1.216 -3.730 1.00 0.00 C ATOM 911 CG LEU A 61 -3.959 -0.046 -3.043 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.788 1.223 -3.163 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.686 -0.372 -1.582 1.00 0.00 C ATOM 0 H LEU A 61 -4.437 -2.688 -5.818 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.332 -0.621 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.449 -1.582 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.948 -2.027 -3.853 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.004 0.121 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.269 2.044 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.931 1.466 -4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.758 1.070 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.183 0.471 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.629 -0.566 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.051 -1.256 -1.519 1.00 0.00 H new ATOM 925 N ALA A 62 -3.317 -0.020 -6.178 1.00 0.00 N ATOM 926 CA ALA A 62 -2.505 0.995 -6.837 1.00 0.00 C ATOM 927 C ALA A 62 -3.372 1.949 -7.651 1.00 0.00 C ATOM 928 O ALA A 62 -3.222 3.168 -7.565 1.00 0.00 O ATOM 929 CB ALA A 62 -1.460 0.339 -7.728 1.00 0.00 C ATOM 0 H ALA A 62 -2.857 -0.924 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.997 1.575 -6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.861 1.109 -8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.813 -0.296 -7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.957 -0.266 -8.486 1.00 0.00 H new ATOM 935 N LYS A 63 -4.280 1.387 -8.442 1.00 0.00 N ATOM 936 CA LYS A 63 -5.173 2.188 -9.271 1.00 0.00 C ATOM 937 C LYS A 63 -6.078 3.062 -8.410 1.00 0.00 C ATOM 938 O LYS A 63 -6.189 4.268 -8.633 1.00 0.00 O ATOM 939 CB LYS A 63 -6.023 1.280 -10.164 1.00 0.00 C ATOM 940 CG LYS A 63 -6.418 1.922 -11.483 1.00 0.00 C ATOM 941 CD LYS A 63 -5.366 1.688 -12.554 1.00 0.00 C ATOM 942 CE LYS A 63 -5.795 2.269 -13.893 1.00 0.00 C ATOM 943 NZ LYS A 63 -6.802 1.409 -14.573 1.00 0.00 N ATOM 0 H LYS A 63 -4.417 0.380 -8.526 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.562 2.837 -9.898 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.470 0.363 -10.367 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.926 0.995 -9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.373 1.515 -11.815 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.560 2.993 -11.339 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.424 2.140 -12.245 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.186 0.618 -12.661 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.211 3.265 -13.740 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.922 2.384 -14.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.069 1.839 -15.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.396 0.466 -14.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.646 1.320 -13.971 1.00 0.00 H new ATOM 957 N HIS A 64 -6.723 2.448 -7.423 1.00 0.00 N ATOM 958 CA HIS A 64 -7.617 3.171 -6.527 1.00 0.00 C ATOM 959 C HIS A 64 -6.927 4.403 -5.948 1.00 0.00 C ATOM 960 O HIS A 64 -7.483 5.501 -5.959 1.00 0.00 O ATOM 961 CB HIS A 64 -8.089 2.258 -5.395 1.00 0.00 C ATOM 962 CG HIS A 64 -9.459 2.588 -4.889 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.613 2.137 -5.494 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.856 3.329 -3.829 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.662 2.588 -4.828 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.229 3.314 -3.812 1.00 0.00 N ATOM 0 H HIS A 64 -6.643 1.451 -7.224 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.482 3.498 -7.104 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.079 1.226 -5.744 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.381 2.322 -4.569 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.213 3.838 -3.127 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.696 2.396 -5.072 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.819 3.786 -3.127 1.00 0.00 H new ATOM 974 N ARG A 65 -5.712 4.212 -5.443 1.00 0.00 N ATOM 975 CA ARG A 65 -4.947 5.306 -4.858 1.00 0.00 C ATOM 976 C ARG A 65 -4.607 6.355 -5.913 1.00 0.00 C ATOM 977 O ARG A 65 -4.774 7.553 -5.687 1.00 0.00 O ATOM 978 CB ARG A 65 -3.663 4.774 -4.219 1.00 0.00 C ATOM 979 CG ARG A 65 -3.804 4.460 -2.739 1.00 0.00 C ATOM 980 CD ARG A 65 -2.518 3.885 -2.167 1.00 0.00 C ATOM 981 NE ARG A 65 -2.324 4.263 -0.769 1.00 0.00 N ATOM 982 CZ ARG A 65 -3.124 3.872 0.216 1.00 0.00 C ATOM 983 NH1 ARG A 65 -4.167 3.095 -0.041 1.00 0.00 N ATOM 984 NH2 ARG A 65 -2.881 4.258 1.462 1.00 0.00 N ATOM 0 H ARG A 65 -5.237 3.310 -5.428 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.560 5.775 -4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.352 3.871 -4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.869 5.509 -4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.071 5.367 -2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.618 3.750 -2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.539 2.798 -2.249 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.671 4.233 -2.758 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.530 4.860 -0.537 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.357 2.796 -0.998 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.780 2.796 0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.079 4.855 1.664 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.496 3.957 2.218 1.00 0.00 H new ATOM 998 N ALA A 66 -4.128 5.896 -7.064 1.00 0.00 N ATOM 999 CA ALA A 66 -3.766 6.794 -8.154 1.00 0.00 C ATOM 1000 C ALA A 66 -4.890 7.781 -8.449 1.00 0.00 C ATOM 1001 O ALA A 66 -4.667 8.989 -8.516 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.420 5.997 -9.402 1.00 0.00 C ATOM 0 H ALA A 66 -3.981 4.907 -7.266 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.889 7.364 -7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.152 6.681 -10.208 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.579 5.337 -9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.281 5.401 -9.704 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.099 7.258 -8.625 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.259 8.094 -8.911 1.00 0.00 C ATOM 1010 C ALA A 67 -7.690 8.877 -7.676 1.00 0.00 C ATOM 1011 O ALA A 67 -8.102 10.032 -7.775 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.409 7.241 -9.426 1.00 0.00 C ATOM 0 H ALA A 67 -6.301 6.259 -8.575 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.978 8.811 -9.683 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.269 7.877 -9.636 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.103 6.732 -10.340 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.680 6.502 -8.672 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.592 8.240 -6.513 1.00 0.00 N ATOM 1019 CA GLU A 68 -7.974 8.878 -5.259 1.00 0.00 C ATOM 1020 C GLU A 68 -7.224 10.194 -5.068 1.00 0.00 C ATOM 1021 O GLU A 68 -7.827 11.228 -4.782 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.696 7.944 -4.080 1.00 0.00 C ATOM 1023 CG GLU A 68 -8.868 7.045 -3.725 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.780 6.501 -2.313 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -7.663 6.472 -1.756 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -9.829 6.103 -1.764 1.00 0.00 O ATOM 0 H GLU A 68 -7.252 7.284 -6.414 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.042 9.091 -5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.831 7.323 -4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.431 8.542 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.797 7.604 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.909 6.214 -4.429 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.906 10.145 -5.227 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.073 11.332 -5.073 1.00 0.00 C ATOM 1035 C ALA A 69 -5.670 12.521 -5.818 1.00 0.00 C ATOM 1036 O ALA A 69 -6.151 13.472 -5.204 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.661 11.053 -5.565 1.00 0.00 C ATOM 0 H ALA A 69 -5.392 9.296 -5.462 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.033 11.583 -4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.050 11.948 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.228 10.237 -4.986 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.691 10.774 -6.618 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.634 12.460 -7.146 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.172 13.532 -7.974 1.00 0.00 C ATOM 1045 C ALA A 70 -7.421 14.138 -7.344 1.00 0.00 C ATOM 1046 O ALA A 70 -7.414 15.293 -6.916 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.482 13.014 -9.371 1.00 0.00 C ATOM 0 H ALA A 70 -5.238 11.680 -7.670 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.417 14.315 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.883 13.825 -9.979 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.569 12.634 -9.829 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.216 12.211 -9.307 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.492 13.353 -7.290 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.748 13.814 -6.712 1.00 0.00 C ATOM 1055 C ILE A 71 -9.501 14.718 -5.509 1.00 0.00 C ATOM 1056 O ILE A 71 -9.735 15.924 -5.568 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.635 12.632 -6.277 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.894 11.698 -7.461 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -11.947 13.139 -5.699 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.781 10.521 -7.120 1.00 0.00 C ATOM 0 H ILE A 71 -8.515 12.395 -7.639 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.264 14.379 -7.489 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.112 12.070 -5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.354 12.267 -8.268 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.940 11.327 -7.836 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.563 12.292 -5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.744 13.768 -4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.476 13.721 -6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.921 9.902 -8.006 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.313 9.928 -6.334 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.749 10.883 -6.773 1.00 0.00 H new ATOM 1072 N ASN A 72 -9.023 14.126 -4.419 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.742 14.879 -3.202 1.00 0.00 C ATOM 1074 C ASN A 72 -8.212 16.271 -3.533 1.00 0.00 C ATOM 1075 O ASN A 72 -8.523 17.244 -2.845 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.729 14.128 -2.336 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.394 13.176 -1.361 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -8.489 13.458 -0.167 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -8.859 12.039 -1.868 1.00 0.00 N ATOM 0 H ASN A 72 -8.822 13.128 -4.354 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.674 14.987 -2.648 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.050 13.569 -2.979 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.125 14.847 -1.783 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.316 11.359 -1.261 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.759 11.846 -2.865 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.412 16.357 -4.590 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.841 17.629 -5.013 1.00 0.00 C ATOM 1088 C ILE A 73 -7.841 18.435 -5.835 1.00 0.00 C ATOM 1089 O ILE A 73 -7.967 19.649 -5.666 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.560 17.423 -5.843 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.514 16.662 -5.026 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -5.007 18.763 -6.305 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.535 15.881 -5.874 1.00 0.00 C ATOM 0 H ILE A 73 -7.145 15.561 -5.169 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.592 18.180 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.807 16.831 -6.724 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.962 17.370 -4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.023 15.976 -4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.102 18.601 -6.890 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.750 19.271 -6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.772 19.379 -5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.823 15.367 -5.228 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.076 15.148 -6.473 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.999 16.564 -6.533 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.553 17.752 -6.725 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.545 18.403 -7.574 1.00 0.00 C ATOM 1107 C LEU A 74 -10.575 19.150 -6.732 1.00 0.00 C ATOM 1108 O LEU A 74 -11.045 20.222 -7.113 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.245 17.371 -8.459 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.540 17.023 -9.770 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -8.032 16.985 -9.572 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.042 15.691 -10.310 1.00 0.00 C ATOM 0 H LEU A 74 -8.462 16.748 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.028 19.124 -8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.371 16.454 -7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.243 17.740 -8.693 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.771 17.798 -10.500 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.547 16.736 -10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.685 17.961 -9.232 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.782 16.231 -8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.529 15.460 -11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.842 14.905 -9.582 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.115 15.753 -10.492 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.922 18.577 -5.584 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.893 19.188 -4.686 1.00 0.00 C ATOM 1126 C LYS A 75 -11.292 20.396 -3.975 1.00 0.00 C ATOM 1127 O LYS A 75 -11.732 21.528 -4.174 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.379 18.167 -3.655 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.728 16.816 -4.256 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.490 15.687 -3.266 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.617 15.591 -2.249 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.162 14.970 -0.975 1.00 0.00 N ATOM 0 H LYS A 75 -10.544 17.689 -5.254 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.741 19.524 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.606 18.030 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.256 18.566 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.773 16.814 -4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.128 16.649 -5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.402 14.743 -3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.544 15.849 -2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.010 16.587 -2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.435 15.004 -2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.959 14.922 -0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.810 14.010 -1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.399 15.544 -0.562 1.00 0.00 H new