USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 918 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 116 TYR OH : rot 180:sc= 0.0215 USER MOD Set 1.2: A 117 GLN : amide:sc= 0.564 X(o=0.59,f=0.29) USER MOD Set 2.1: A 110 GLN : amide:sc= -0.179 K(o=-1,f=-3.1) USER MOD Set 2.2: A 113 GLN : amide:sc= -0.868 K(o=-1,f=-3.1!) USER MOD Set 3.1: A 46 THR OG1 : rot -82:sc= -1.93! USER MOD Set 3.2: A 47 HIS : no HD1:sc= -5.63! C(o=-9.1!,f=-9.3!) USER MOD Set 3.3: A 50 GLN : amide:sc= -1.52 X(o=-9.1,f=-9.3) USER MOD Set 4.1: A 8 CYS SG : rot 156:sc= -2.2! USER MOD Set 4.2: A 34 CYS SG : rot 116:sc= -2.82! USER MOD Single : A 4 GLN : amide:sc= 0.136 X(o=0.14,f=-0.037) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 100:sc= 0.156 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 20 CYS SG : rot 83:sc= -2.4! USER MOD Single : A 21 GLN : amide:sc= -2.11 K(o=-2.1,f=-4!) USER MOD Single : A 25 SER OG : rot 19:sc= 1.1 USER MOD Single : A 29 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 30 GLN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.57) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 39 MET CE :methyl -154:sc= -0.229 (180deg=-1.64!) USER MOD Single : A 43 TYR OH : rot 180:sc= -2.25! USER MOD Single : A 45 GLN : amide:sc= -0.96 K(o=-0.96,f=-3.8!) USER MOD Single : A 53 CYS SG : rot -31:sc= -2.36 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 62 SER OG : rot 180:sc= 0.128 USER MOD Single : A 68 GLN : amide:sc= -8.07! C(o=-8.1!,f=-15!) USER MOD Single : A 69 GLN : amide:sc= -0.612 K(o=-0.61,f=-1.6!) USER MOD Single : A 71 CYS SG : rot 54:sc= -5.07! USER MOD Single : A 99 TYR OH : rot -12:sc= 0.249 USER MOD Single : A 100 HIS : +bothHN:sc= -15! C(o=-15!,f=-20!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.751 USER MOD Single : A 105 HIS : no HD1:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.744 X(o=-0.74,f=-0.49) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLN A 4 3.631 4.212 15.876 1.00 0.00 N ATOM 51 CA GLN A 4 4.420 3.967 14.634 1.00 0.00 C ATOM 52 C GLN A 4 3.481 3.770 13.437 1.00 0.00 C ATOM 53 O GLN A 4 2.288 3.607 13.591 1.00 0.00 O ATOM 54 CB GLN A 4 5.221 2.694 14.923 1.00 0.00 C ATOM 55 CG GLN A 4 6.169 2.945 16.100 1.00 0.00 C ATOM 56 CD GLN A 4 7.113 1.754 16.275 1.00 0.00 C ATOM 57 OE1 GLN A 4 6.683 0.620 16.305 1.00 0.00 O ATOM 58 NE2 GLN A 4 8.394 1.970 16.393 1.00 0.00 N ATOM 0 HA GLN A 4 5.070 4.804 14.380 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.545 1.871 15.155 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.789 2.401 14.040 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.745 3.854 15.926 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.595 3.102 17.013 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.755 2.924 16.368 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.035 1.185 16.511 1.00 0.00 H new ATOM 67 N ILE A 5 4.013 3.792 12.243 1.00 0.00 N ATOM 68 CA ILE A 5 3.158 3.614 11.031 1.00 0.00 C ATOM 69 C ILE A 5 3.221 2.162 10.545 1.00 0.00 C ATOM 70 O ILE A 5 4.279 1.577 10.456 1.00 0.00 O ATOM 71 CB ILE A 5 3.766 4.566 9.998 1.00 0.00 C ATOM 72 CG1 ILE A 5 3.517 6.009 10.442 1.00 0.00 C ATOM 73 CG2 ILE A 5 3.125 4.324 8.633 1.00 0.00 C ATOM 74 CD1 ILE A 5 4.324 6.969 9.565 1.00 0.00 C ATOM 0 H ILE A 5 5.006 3.926 12.054 1.00 0.00 H new ATOM 0 HA ILE A 5 2.106 3.829 11.219 1.00 0.00 H new ATOM 0 HB ILE A 5 4.839 4.388 9.920 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.455 6.243 10.371 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.801 6.131 11.487 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.561 5.004 7.901 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.305 3.294 8.324 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.051 4.501 8.699 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.143 7.995 9.886 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.386 6.742 9.659 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.019 6.855 8.525 1.00 0.00 H new ATOM 86 N ALA A 6 2.098 1.567 10.230 1.00 0.00 N ATOM 87 CA ALA A 6 2.119 0.158 9.760 1.00 0.00 C ATOM 88 C ALA A 6 2.219 0.115 8.243 1.00 0.00 C ATOM 89 O ALA A 6 1.336 0.553 7.536 1.00 0.00 O ATOM 90 CB ALA A 6 0.796 -0.428 10.224 1.00 0.00 C ATOM 0 H ALA A 6 1.175 1.997 10.279 1.00 0.00 H new ATOM 0 HA ALA A 6 2.971 -0.398 10.151 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.732 -1.471 9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.732 -0.366 11.310 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.026 0.133 9.780 1.00 0.00 H new ATOM 96 N ILE A 7 3.291 -0.407 7.736 1.00 0.00 N ATOM 97 CA ILE A 7 3.444 -0.474 6.263 1.00 0.00 C ATOM 98 C ILE A 7 3.715 -1.916 5.826 1.00 0.00 C ATOM 99 O ILE A 7 4.721 -2.500 6.178 1.00 0.00 O ATOM 100 CB ILE A 7 4.650 0.415 5.958 1.00 0.00 C ATOM 101 CG1 ILE A 7 4.377 1.834 6.453 1.00 0.00 C ATOM 102 CG2 ILE A 7 4.901 0.450 4.450 1.00 0.00 C ATOM 103 CD1 ILE A 7 5.591 2.714 6.148 1.00 0.00 C ATOM 0 H ILE A 7 4.068 -0.790 8.275 1.00 0.00 H new ATOM 0 HA ILE A 7 2.548 -0.147 5.735 1.00 0.00 H new ATOM 0 HB ILE A 7 5.527 0.011 6.463 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.489 2.237 5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.178 1.826 7.525 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.761 1.085 4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.098 -0.560 4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.022 0.850 3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.402 3.729 6.499 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.468 2.312 6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.768 2.729 5.073 1.00 0.00 H new ATOM 115 N CYS A 8 2.835 -2.495 5.052 1.00 0.00 N ATOM 116 CA CYS A 8 3.071 -3.892 4.593 1.00 0.00 C ATOM 117 C CYS A 8 3.533 -3.875 3.136 1.00 0.00 C ATOM 118 O CYS A 8 2.817 -3.447 2.252 1.00 0.00 O ATOM 119 CB CYS A 8 1.724 -4.603 4.730 1.00 0.00 C ATOM 120 SG CYS A 8 1.945 -6.370 4.406 1.00 0.00 S ATOM 0 H CYS A 8 1.971 -2.065 4.721 1.00 0.00 H new ATOM 0 HA CYS A 8 3.842 -4.398 5.174 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.321 -4.453 5.731 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.004 -4.180 4.030 1.00 0.00 H new ATOM 0 HG CYS A 8 0.992 -7.040 4.983 1.00 0.00 H new ATOM 126 N ILE A 9 4.732 -4.318 2.882 1.00 0.00 N ATOM 127 CA ILE A 9 5.241 -4.298 1.481 1.00 0.00 C ATOM 128 C ILE A 9 5.222 -5.679 0.852 1.00 0.00 C ATOM 129 O ILE A 9 5.441 -6.680 1.505 1.00 0.00 O ATOM 130 CB ILE A 9 6.688 -3.827 1.587 1.00 0.00 C ATOM 131 CG1 ILE A 9 7.381 -3.995 0.230 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.424 -4.677 2.624 1.00 0.00 C ATOM 133 CD1 ILE A 9 8.788 -3.403 0.300 1.00 0.00 C ATOM 0 H ILE A 9 5.378 -4.691 3.578 1.00 0.00 H new ATOM 0 HA ILE A 9 4.619 -3.655 0.859 1.00 0.00 H new ATOM 0 HB ILE A 9 6.705 -2.779 1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.432 -5.051 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.804 -3.497 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.458 -4.342 2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.936 -4.573 3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.403 -5.723 2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.281 -3.522 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.725 -2.343 0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.363 -3.921 1.068 1.00 0.00 H new ATOM 145 N TRP A 10 5.014 -5.730 -0.430 1.00 0.00 N ATOM 146 CA TRP A 10 5.045 -7.040 -1.120 1.00 0.00 C ATOM 147 C TRP A 10 6.203 -7.036 -2.109 1.00 0.00 C ATOM 148 O TRP A 10 6.186 -6.342 -3.105 1.00 0.00 O ATOM 149 CB TRP A 10 3.721 -7.187 -1.860 1.00 0.00 C ATOM 150 CG TRP A 10 3.823 -8.379 -2.756 1.00 0.00 C ATOM 151 CD1 TRP A 10 4.746 -9.364 -2.628 1.00 0.00 C ATOM 152 CD2 TRP A 10 3.008 -8.732 -3.907 1.00 0.00 C ATOM 153 NE1 TRP A 10 4.553 -10.294 -3.631 1.00 0.00 N ATOM 154 CE2 TRP A 10 3.490 -9.950 -4.442 1.00 0.00 C ATOM 155 CE3 TRP A 10 1.909 -8.120 -4.533 1.00 0.00 C ATOM 156 CZ2 TRP A 10 2.901 -10.539 -5.559 1.00 0.00 C ATOM 157 CZ3 TRP A 10 1.314 -8.710 -5.658 1.00 0.00 C ATOM 158 CH2 TRP A 10 1.809 -9.920 -6.170 1.00 0.00 C ATOM 0 H TRP A 10 4.825 -4.924 -1.026 1.00 0.00 H new ATOM 0 HA TRP A 10 5.180 -7.866 -0.421 1.00 0.00 H new ATOM 0 HB2 TRP A 10 2.901 -7.311 -1.153 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.508 -6.290 -2.442 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.509 -9.413 -1.865 1.00 0.00 H new ATOM 0 HE1 TRP A 10 5.124 -11.130 -3.757 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.520 -7.190 -4.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.287 -11.469 -5.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.471 -8.231 -6.133 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.346 -10.371 -7.035 1.00 0.00 H new ATOM 169 N VAL A 11 7.213 -7.792 -1.830 1.00 0.00 N ATOM 170 CA VAL A 11 8.385 -7.824 -2.735 1.00 0.00 C ATOM 171 C VAL A 11 9.118 -9.156 -2.561 1.00 0.00 C ATOM 172 O VAL A 11 9.414 -9.574 -1.462 1.00 0.00 O ATOM 173 CB VAL A 11 9.230 -6.639 -2.273 1.00 0.00 C ATOM 174 CG1 VAL A 11 9.373 -6.689 -0.756 1.00 0.00 C ATOM 175 CG2 VAL A 11 10.606 -6.696 -2.932 1.00 0.00 C ATOM 0 H VAL A 11 7.281 -8.394 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 11 8.137 -7.749 -3.794 1.00 0.00 H new ATOM 0 HB VAL A 11 8.743 -5.707 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.976 -5.845 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.386 -6.637 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.860 -7.621 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.204 -5.848 -2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.105 -7.624 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.492 -6.656 -4.015 1.00 0.00 H new ATOM 185 N GLU A 12 9.383 -9.835 -3.641 1.00 0.00 N ATOM 186 CA GLU A 12 10.067 -11.160 -3.550 1.00 0.00 C ATOM 187 C GLU A 12 11.582 -11.001 -3.531 1.00 0.00 C ATOM 188 O GLU A 12 12.312 -11.960 -3.356 1.00 0.00 O ATOM 189 CB GLU A 12 9.628 -11.909 -4.802 1.00 0.00 C ATOM 190 CG GLU A 12 8.169 -12.327 -4.647 1.00 0.00 C ATOM 191 CD GLU A 12 7.734 -13.110 -5.884 1.00 0.00 C ATOM 192 OE1 GLU A 12 8.450 -13.066 -6.872 1.00 0.00 O ATOM 193 OE2 GLU A 12 6.696 -13.745 -5.823 1.00 0.00 O ATOM 0 H GLU A 12 9.156 -9.531 -4.588 1.00 0.00 H new ATOM 0 HA GLU A 12 9.805 -11.687 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.746 -11.275 -5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.256 -12.786 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.047 -12.939 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.538 -11.447 -4.519 1.00 0.00 H new ATOM 200 N SER A 13 12.064 -9.811 -3.705 1.00 0.00 N ATOM 201 CA SER A 13 13.533 -9.613 -3.688 1.00 0.00 C ATOM 202 C SER A 13 13.934 -8.872 -2.418 1.00 0.00 C ATOM 203 O SER A 13 13.576 -7.730 -2.208 1.00 0.00 O ATOM 204 CB SER A 13 13.842 -8.787 -4.929 1.00 0.00 C ATOM 205 OG SER A 13 15.229 -8.894 -5.224 1.00 0.00 O ATOM 0 H SER A 13 11.509 -8.969 -3.858 1.00 0.00 H new ATOM 0 HA SER A 13 14.084 -10.553 -3.695 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.249 -9.140 -5.773 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.572 -7.744 -4.764 1.00 0.00 H new ATOM 0 HG SER A 13 15.435 -8.366 -6.023 1.00 0.00 H new ATOM 211 N THR A 14 14.669 -9.524 -1.567 1.00 0.00 N ATOM 212 CA THR A 14 15.095 -8.878 -0.300 1.00 0.00 C ATOM 213 C THR A 14 15.787 -7.552 -0.593 1.00 0.00 C ATOM 214 O THR A 14 15.594 -6.581 0.104 1.00 0.00 O ATOM 215 CB THR A 14 16.075 -9.861 0.327 1.00 0.00 C ATOM 216 OG1 THR A 14 15.825 -11.165 -0.183 1.00 0.00 O ATOM 217 CG2 THR A 14 15.897 -9.848 1.846 1.00 0.00 C ATOM 0 H THR A 14 14.995 -10.482 -1.695 1.00 0.00 H new ATOM 0 HA THR A 14 14.254 -8.660 0.358 1.00 0.00 H new ATOM 0 HB THR A 14 17.098 -9.574 0.083 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.473 -11.370 -0.889 1.00 0.00 H new ATOM 0 HG21 THR A 14 16.596 -10.550 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 14 16.091 -8.845 2.226 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.877 -10.140 2.095 1.00 0.00 H new ATOM 225 N ALA A 15 16.586 -7.490 -1.618 1.00 0.00 N ATOM 226 CA ALA A 15 17.264 -6.204 -1.926 1.00 0.00 C ATOM 227 C ALA A 15 16.200 -5.139 -2.178 1.00 0.00 C ATOM 228 O ALA A 15 16.247 -4.055 -1.632 1.00 0.00 O ATOM 229 CB ALA A 15 18.094 -6.471 -3.181 1.00 0.00 C ATOM 0 H ALA A 15 16.797 -8.263 -2.249 1.00 0.00 H new ATOM 0 HA ALA A 15 17.899 -5.848 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.624 -5.562 -3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.815 -7.263 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.436 -6.779 -3.994 1.00 0.00 H new ATOM 235 N ILE A 16 15.215 -5.457 -2.971 1.00 0.00 N ATOM 236 CA ILE A 16 14.127 -4.478 -3.220 1.00 0.00 C ATOM 237 C ILE A 16 13.405 -4.238 -1.902 1.00 0.00 C ATOM 238 O ILE A 16 13.131 -3.118 -1.517 1.00 0.00 O ATOM 239 CB ILE A 16 13.210 -5.162 -4.236 1.00 0.00 C ATOM 240 CG1 ILE A 16 13.892 -5.163 -5.611 1.00 0.00 C ATOM 241 CG2 ILE A 16 11.876 -4.416 -4.314 1.00 0.00 C ATOM 242 CD1 ILE A 16 13.282 -6.255 -6.495 1.00 0.00 C ATOM 0 H ILE A 16 15.119 -6.350 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 16 14.473 -3.515 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 16 13.021 -6.189 -3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.773 -4.189 -6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.963 -5.332 -5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.226 -4.907 -5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.397 -4.423 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 16 12.053 -3.386 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.771 -6.250 -7.469 1.00 0.00 H new ATOM 0 HD12 ILE A 16 13.424 -7.227 -6.023 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.216 -6.066 -6.623 1.00 0.00 H new ATOM 254 N LEU A 17 13.127 -5.293 -1.194 1.00 0.00 N ATOM 255 CA LEU A 17 12.455 -5.157 0.120 1.00 0.00 C ATOM 256 C LEU A 17 13.339 -4.345 1.063 1.00 0.00 C ATOM 257 O LEU A 17 12.914 -3.356 1.623 1.00 0.00 O ATOM 258 CB LEU A 17 12.301 -6.596 0.621 1.00 0.00 C ATOM 259 CG LEU A 17 12.026 -6.630 2.131 1.00 0.00 C ATOM 260 CD1 LEU A 17 13.341 -6.453 2.886 1.00 0.00 C ATOM 261 CD2 LEU A 17 11.047 -5.513 2.537 1.00 0.00 C ATOM 0 H LEU A 17 13.339 -6.251 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 17 11.496 -4.643 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.485 -7.084 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.207 -7.160 0.401 1.00 0.00 H new ATOM 0 HG LEU A 17 11.576 -7.591 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.151 -6.476 3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.024 -7.260 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.789 -5.496 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.868 -5.558 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.475 -4.544 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.104 -5.645 2.007 1.00 0.00 H new ATOM 273 N GLN A 18 14.571 -4.745 1.237 1.00 0.00 N ATOM 274 CA GLN A 18 15.466 -3.980 2.142 1.00 0.00 C ATOM 275 C GLN A 18 15.522 -2.517 1.695 1.00 0.00 C ATOM 276 O GLN A 18 15.524 -1.612 2.504 1.00 0.00 O ATOM 277 CB GLN A 18 16.842 -4.640 2.014 1.00 0.00 C ATOM 278 CG GLN A 18 16.835 -6.011 2.700 1.00 0.00 C ATOM 279 CD GLN A 18 18.226 -6.644 2.578 1.00 0.00 C ATOM 280 OE1 GLN A 18 18.859 -6.545 1.547 1.00 0.00 O ATOM 281 NE2 GLN A 18 18.735 -7.288 3.593 1.00 0.00 N ATOM 0 H GLN A 18 14.990 -5.562 0.794 1.00 0.00 H new ATOM 0 HA GLN A 18 15.118 -3.990 3.175 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.103 -4.753 0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.603 -4.003 2.465 1.00 0.00 H new ATOM 0 HG2 GLN A 18 16.562 -5.904 3.750 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.087 -6.657 2.240 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.205 -7.373 4.461 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.662 -7.706 3.518 1.00 0.00 H new ATOM 290 N ASP A 19 15.557 -2.278 0.412 1.00 0.00 N ATOM 291 CA ASP A 19 15.606 -0.872 -0.077 1.00 0.00 C ATOM 292 C ASP A 19 14.358 -0.112 0.386 1.00 0.00 C ATOM 293 O ASP A 19 14.442 1.000 0.867 1.00 0.00 O ATOM 294 CB ASP A 19 15.638 -0.996 -1.599 1.00 0.00 C ATOM 295 CG ASP A 19 16.961 -1.632 -2.028 1.00 0.00 C ATOM 296 OD1 ASP A 19 17.852 -1.712 -1.200 1.00 0.00 O ATOM 297 OD2 ASP A 19 17.060 -2.028 -3.178 1.00 0.00 O ATOM 0 H ASP A 19 15.554 -2.993 -0.316 1.00 0.00 H new ATOM 0 HA ASP A 19 16.466 -0.321 0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.801 -1.604 -1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.528 -0.013 -2.058 1.00 0.00 H new ATOM 302 N CYS A 20 13.200 -0.709 0.260 1.00 0.00 N ATOM 303 CA CYS A 20 11.958 -0.024 0.714 1.00 0.00 C ATOM 304 C CYS A 20 12.045 0.219 2.220 1.00 0.00 C ATOM 305 O CYS A 20 11.703 1.275 2.715 1.00 0.00 O ATOM 306 CB CYS A 20 10.828 -0.999 0.391 1.00 0.00 C ATOM 307 SG CYS A 20 10.923 -1.468 -1.354 1.00 0.00 S ATOM 0 H CYS A 20 13.064 -1.639 -0.137 1.00 0.00 H new ATOM 0 HA CYS A 20 11.803 0.941 0.232 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.905 -1.884 1.022 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.863 -0.539 0.604 1.00 0.00 H new ATOM 0 HG CYS A 20 11.790 -2.426 -1.499 1.00 0.00 H new ATOM 313 N GLN A 21 12.523 -0.755 2.948 1.00 0.00 N ATOM 314 CA GLN A 21 12.663 -0.585 4.419 1.00 0.00 C ATOM 315 C GLN A 21 13.676 0.514 4.699 1.00 0.00 C ATOM 316 O GLN A 21 13.468 1.378 5.528 1.00 0.00 O ATOM 317 CB GLN A 21 13.186 -1.926 4.927 1.00 0.00 C ATOM 318 CG GLN A 21 12.177 -3.016 4.586 1.00 0.00 C ATOM 319 CD GLN A 21 12.551 -4.308 5.302 1.00 0.00 C ATOM 320 OE1 GLN A 21 13.691 -4.723 5.279 1.00 0.00 O ATOM 321 NE2 GLN A 21 11.632 -4.965 5.944 1.00 0.00 N ATOM 0 H GLN A 21 12.822 -1.660 2.585 1.00 0.00 H new ATOM 0 HA GLN A 21 11.726 -0.308 4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 21 14.150 -2.150 4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.345 -1.884 6.005 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.176 -2.703 4.881 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.155 -3.180 3.509 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.674 -4.615 5.963 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.869 -5.830 6.429 1.00 0.00 H new ATOM 330 N ARG A 22 14.771 0.488 3.995 1.00 0.00 N ATOM 331 CA ARG A 22 15.807 1.532 4.192 1.00 0.00 C ATOM 332 C ARG A 22 15.157 2.910 4.148 1.00 0.00 C ATOM 333 O ARG A 22 15.322 3.718 5.041 1.00 0.00 O ATOM 334 CB ARG A 22 16.754 1.350 3.013 1.00 0.00 C ATOM 335 CG ARG A 22 17.930 0.473 3.442 1.00 0.00 C ATOM 336 CD ARG A 22 18.505 -0.258 2.224 1.00 0.00 C ATOM 337 NE ARG A 22 19.956 -0.415 2.526 1.00 0.00 N ATOM 338 CZ ARG A 22 20.787 -0.764 1.582 1.00 0.00 C ATOM 339 NH1 ARG A 22 20.343 -1.040 0.385 1.00 0.00 N ATOM 340 NH2 ARG A 22 22.064 -0.849 1.840 1.00 0.00 N ATOM 0 H ARG A 22 14.992 -0.215 3.290 1.00 0.00 H new ATOM 0 HA ARG A 22 16.321 1.449 5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.228 0.890 2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.115 2.319 2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.702 1.086 3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 22 17.603 -0.249 4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.024 -1.225 2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.351 0.315 1.309 1.00 0.00 H new ATOM 0 HE ARG A 22 20.300 -0.249 3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.344 -0.983 0.186 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.995 -1.312 -0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 22 22.410 -0.643 2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 22 22.716 -1.122 1.104 1.00 0.00 H new ATOM 354 N ALA A 23 14.402 3.177 3.119 1.00 0.00 N ATOM 355 CA ALA A 23 13.722 4.493 3.022 1.00 0.00 C ATOM 356 C ALA A 23 12.688 4.607 4.144 1.00 0.00 C ATOM 357 O ALA A 23 12.680 5.558 4.901 1.00 0.00 O ATOM 358 CB ALA A 23 13.052 4.482 1.649 1.00 0.00 C ATOM 0 H ALA A 23 14.228 2.539 2.342 1.00 0.00 H new ATOM 0 HA ALA A 23 14.400 5.340 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.524 5.423 1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.810 4.360 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.343 3.655 1.597 1.00 0.00 H new ATOM 364 N LEU A 24 11.830 3.628 4.274 1.00 0.00 N ATOM 365 CA LEU A 24 10.820 3.669 5.364 1.00 0.00 C ATOM 366 C LEU A 24 11.432 3.097 6.642 1.00 0.00 C ATOM 367 O LEU A 24 10.940 2.145 7.214 1.00 0.00 O ATOM 368 CB LEU A 24 9.674 2.792 4.867 1.00 0.00 C ATOM 369 CG LEU A 24 9.194 3.324 3.518 1.00 0.00 C ATOM 370 CD1 LEU A 24 8.037 2.475 3.005 1.00 0.00 C ATOM 371 CD2 LEU A 24 8.712 4.759 3.689 1.00 0.00 C ATOM 0 H LEU A 24 11.788 2.805 3.672 1.00 0.00 H new ATOM 0 HA LEU A 24 10.480 4.679 5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.006 1.758 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.856 2.797 5.587 1.00 0.00 H new ATOM 0 HG LEU A 24 10.018 3.284 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.701 2.861 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.368 1.443 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.214 2.513 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.368 5.144 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.891 4.784 4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.532 5.377 4.055 1.00 0.00 H new ATOM 383 N SER A 25 12.508 3.676 7.090 1.00 0.00 N ATOM 384 CA SER A 25 13.168 3.180 8.328 1.00 0.00 C ATOM 385 C SER A 25 12.881 4.132 9.483 1.00 0.00 C ATOM 386 O SER A 25 13.306 3.910 10.601 1.00 0.00 O ATOM 387 CB SER A 25 14.662 3.159 8.011 1.00 0.00 C ATOM 388 OG SER A 25 14.990 1.931 7.378 1.00 0.00 O ATOM 0 H SER A 25 12.962 4.476 6.650 1.00 0.00 H new ATOM 0 HA SER A 25 12.807 2.195 8.622 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.920 3.996 7.362 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.242 3.276 8.927 1.00 0.00 H new ATOM 0 HG SER A 25 14.175 1.517 7.025 1.00 0.00 H new ATOM 394 N ALA A 26 12.161 5.193 9.218 1.00 0.00 N ATOM 395 CA ALA A 26 11.829 6.169 10.294 1.00 0.00 C ATOM 396 C ALA A 26 11.573 5.427 11.598 1.00 0.00 C ATOM 397 O ALA A 26 10.952 4.385 11.621 1.00 0.00 O ATOM 398 CB ALA A 26 10.550 6.872 9.826 1.00 0.00 C ATOM 0 H ALA A 26 11.788 5.424 8.297 1.00 0.00 H new ATOM 0 HA ALA A 26 12.638 6.878 10.471 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.245 7.607 10.571 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.737 7.374 8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.757 6.136 9.697 1.00 0.00 H new ATOM 404 N ASP A 27 12.050 5.951 12.683 1.00 0.00 N ATOM 405 CA ASP A 27 11.842 5.272 13.983 1.00 0.00 C ATOM 406 C ASP A 27 10.365 4.910 14.176 1.00 0.00 C ATOM 407 O ASP A 27 10.027 4.076 14.994 1.00 0.00 O ATOM 408 CB ASP A 27 12.293 6.291 15.029 1.00 0.00 C ATOM 409 CG ASP A 27 12.361 5.615 16.397 1.00 0.00 C ATOM 410 OD1 ASP A 27 11.896 4.491 16.505 1.00 0.00 O ATOM 411 OD2 ASP A 27 12.876 6.230 17.316 1.00 0.00 O ATOM 0 H ASP A 27 12.577 6.823 12.727 1.00 0.00 H new ATOM 0 HA ASP A 27 12.397 4.337 14.054 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.269 6.696 14.762 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.598 7.130 15.059 1.00 0.00 H new ATOM 416 N ARG A 28 9.475 5.534 13.445 1.00 0.00 N ATOM 417 CA ARG A 28 8.027 5.220 13.628 1.00 0.00 C ATOM 418 C ARG A 28 7.464 4.402 12.460 1.00 0.00 C ATOM 419 O ARG A 28 6.307 4.525 12.122 1.00 0.00 O ATOM 420 CB ARG A 28 7.331 6.577 13.702 1.00 0.00 C ATOM 421 CG ARG A 28 7.568 7.351 12.404 1.00 0.00 C ATOM 422 CD ARG A 28 6.640 8.567 12.364 1.00 0.00 C ATOM 423 NE ARG A 28 7.489 9.682 11.864 1.00 0.00 N ATOM 424 CZ ARG A 28 8.318 10.290 12.671 1.00 0.00 C ATOM 425 NH1 ARG A 28 8.372 9.963 13.934 1.00 0.00 N ATOM 426 NH2 ARG A 28 9.093 11.232 12.213 1.00 0.00 N ATOM 0 H ARG A 28 9.686 6.239 12.738 1.00 0.00 H new ATOM 0 HA ARG A 28 7.870 4.616 14.521 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.262 6.440 13.864 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.712 7.146 14.550 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.608 7.671 12.342 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.381 6.708 11.544 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.789 8.393 11.705 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.238 8.789 13.352 1.00 0.00 H new ATOM 0 HE ARG A 28 7.424 9.973 10.888 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.765 9.228 14.297 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.022 10.442 14.558 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.051 11.493 11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.741 11.709 12.840 1.00 0.00 H new ATOM 440 N TYR A 29 8.249 3.563 11.842 1.00 0.00 N ATOM 441 CA TYR A 29 7.699 2.757 10.718 1.00 0.00 C ATOM 442 C TYR A 29 7.615 1.282 11.100 1.00 0.00 C ATOM 443 O TYR A 29 8.577 0.683 11.539 1.00 0.00 O ATOM 444 CB TYR A 29 8.668 2.947 9.552 1.00 0.00 C ATOM 445 CG TYR A 29 8.200 4.096 8.693 1.00 0.00 C ATOM 446 CD1 TYR A 29 6.844 4.248 8.403 1.00 0.00 C ATOM 447 CD2 TYR A 29 9.126 5.009 8.196 1.00 0.00 C ATOM 448 CE1 TYR A 29 6.413 5.317 7.614 1.00 0.00 C ATOM 449 CE2 TYR A 29 8.704 6.080 7.409 1.00 0.00 C ATOM 450 CZ TYR A 29 7.344 6.237 7.115 1.00 0.00 C ATOM 451 OH TYR A 29 6.922 7.292 6.334 1.00 0.00 O ATOM 0 H TYR A 29 9.232 3.402 12.062 1.00 0.00 H new ATOM 0 HA TYR A 29 6.689 3.077 10.460 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.672 3.145 9.928 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.724 2.034 8.959 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.127 3.539 8.789 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.175 4.887 8.421 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.363 5.434 7.389 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.425 6.787 7.027 1.00 0.00 H new ATOM 0 HH TYR A 29 7.695 7.835 6.072 1.00 0.00 H new ATOM 461 N GLN A 30 6.474 0.687 10.903 1.00 0.00 N ATOM 462 CA GLN A 30 6.324 -0.763 11.214 1.00 0.00 C ATOM 463 C GLN A 30 6.178 -1.505 9.893 1.00 0.00 C ATOM 464 O GLN A 30 5.089 -1.705 9.393 1.00 0.00 O ATOM 465 CB GLN A 30 5.053 -0.887 12.062 1.00 0.00 C ATOM 466 CG GLN A 30 4.868 -2.346 12.494 1.00 0.00 C ATOM 467 CD GLN A 30 3.660 -2.459 13.427 1.00 0.00 C ATOM 468 OE1 GLN A 30 2.854 -3.358 13.289 1.00 0.00 O ATOM 469 NE2 GLN A 30 3.495 -1.577 14.373 1.00 0.00 N ATOM 0 H GLN A 30 5.636 1.141 10.539 1.00 0.00 H new ATOM 0 HA GLN A 30 7.174 -1.180 11.754 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.123 -0.243 12.939 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.187 -0.553 11.490 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.724 -2.979 11.618 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.765 -2.702 13.000 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.171 -0.822 14.490 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.690 -1.642 14.996 1.00 0.00 H new ATOM 478 N LEU A 31 7.274 -1.874 9.297 1.00 0.00 N ATOM 479 CA LEU A 31 7.203 -2.555 7.983 1.00 0.00 C ATOM 480 C LEU A 31 6.919 -4.045 8.125 1.00 0.00 C ATOM 481 O LEU A 31 7.551 -4.749 8.891 1.00 0.00 O ATOM 482 CB LEU A 31 8.582 -2.355 7.364 1.00 0.00 C ATOM 483 CG LEU A 31 8.991 -0.890 7.470 1.00 0.00 C ATOM 484 CD1 LEU A 31 10.201 -0.643 6.576 1.00 0.00 C ATOM 485 CD2 LEU A 31 7.834 0.005 7.019 1.00 0.00 C ATOM 0 H LEU A 31 8.215 -1.733 9.665 1.00 0.00 H new ATOM 0 HA LEU A 31 6.394 -2.146 7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.313 -2.983 7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.569 -2.663 6.319 1.00 0.00 H new ATOM 0 HG LEU A 31 9.242 -0.657 8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.499 0.403 6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.027 -1.278 6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.944 -0.878 5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.131 1.051 7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.579 -0.224 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.967 -0.174 7.655 1.00 0.00 H new ATOM 497 N GLN A 32 6.002 -4.532 7.343 1.00 0.00 N ATOM 498 CA GLN A 32 5.693 -5.983 7.358 1.00 0.00 C ATOM 499 C GLN A 32 6.054 -6.547 5.984 1.00 0.00 C ATOM 500 O GLN A 32 5.596 -6.058 4.969 1.00 0.00 O ATOM 501 CB GLN A 32 4.191 -6.083 7.632 1.00 0.00 C ATOM 502 CG GLN A 32 3.772 -7.552 7.616 1.00 0.00 C ATOM 503 CD GLN A 32 4.580 -8.324 8.661 1.00 0.00 C ATOM 504 OE1 GLN A 32 4.773 -7.854 9.762 1.00 0.00 O ATOM 505 NE2 GLN A 32 5.062 -9.498 8.359 1.00 0.00 N ATOM 0 H GLN A 32 5.448 -3.981 6.688 1.00 0.00 H new ATOM 0 HA GLN A 32 6.247 -6.544 8.111 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.955 -5.636 8.598 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.634 -5.526 6.879 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.706 -7.640 7.827 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.937 -7.978 6.626 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.899 -9.893 7.433 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.601 -10.021 9.049 1.00 0.00 H new ATOM 514 N VAL A 33 6.902 -7.536 5.931 1.00 0.00 N ATOM 515 CA VAL A 33 7.320 -8.084 4.606 1.00 0.00 C ATOM 516 C VAL A 33 6.498 -9.317 4.222 1.00 0.00 C ATOM 517 O VAL A 33 6.265 -10.199 5.024 1.00 0.00 O ATOM 518 CB VAL A 33 8.789 -8.467 4.782 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.322 -9.024 3.465 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.609 -7.235 5.181 1.00 0.00 C ATOM 0 H VAL A 33 7.323 -7.988 6.742 1.00 0.00 H new ATOM 0 HA VAL A 33 7.167 -7.355 3.811 1.00 0.00 H new ATOM 0 HB VAL A 33 8.873 -9.220 5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.370 -9.299 3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.745 -9.905 3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.232 -8.266 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.654 -7.518 5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.528 -6.476 4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.229 -6.833 6.120 1.00 0.00 H new ATOM 530 N CYS A 34 6.069 -9.384 2.987 1.00 0.00 N ATOM 531 CA CYS A 34 5.275 -10.564 2.525 1.00 0.00 C ATOM 532 C CYS A 34 6.045 -11.312 1.431 1.00 0.00 C ATOM 533 O CYS A 34 6.438 -10.733 0.436 1.00 0.00 O ATOM 534 CB CYS A 34 3.988 -9.982 1.945 1.00 0.00 C ATOM 535 SG CYS A 34 3.117 -9.040 3.217 1.00 0.00 S ATOM 0 H CYS A 34 6.235 -8.671 2.277 1.00 0.00 H new ATOM 0 HA CYS A 34 5.079 -11.267 3.334 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.219 -9.338 1.096 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.351 -10.784 1.572 1.00 0.00 H new ATOM 0 HG CYS A 34 3.076 -7.786 2.877 1.00 0.00 H new ATOM 541 N GLU A 35 6.267 -12.588 1.600 1.00 0.00 N ATOM 542 CA GLU A 35 7.011 -13.355 0.558 1.00 0.00 C ATOM 543 C GLU A 35 6.251 -13.351 -0.773 1.00 0.00 C ATOM 544 O GLU A 35 6.830 -13.563 -1.822 1.00 0.00 O ATOM 545 CB GLU A 35 7.113 -14.783 1.102 1.00 0.00 C ATOM 546 CG GLU A 35 7.876 -14.779 2.423 1.00 0.00 C ATOM 547 CD GLU A 35 7.976 -16.210 2.956 1.00 0.00 C ATOM 548 OE1 GLU A 35 7.724 -17.124 2.189 1.00 0.00 O ATOM 549 OE2 GLU A 35 8.303 -16.366 4.122 1.00 0.00 O ATOM 0 H GLU A 35 5.967 -13.131 2.410 1.00 0.00 H new ATOM 0 HA GLU A 35 7.990 -12.916 0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.116 -15.198 1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.621 -15.422 0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.873 -14.362 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.367 -14.144 3.148 1.00 0.00 H new ATOM 556 N SER A 36 4.960 -13.141 -0.748 1.00 0.00 N ATOM 557 CA SER A 36 4.191 -13.162 -2.028 1.00 0.00 C ATOM 558 C SER A 36 3.132 -12.052 -2.060 1.00 0.00 C ATOM 559 O SER A 36 3.139 -11.147 -1.246 1.00 0.00 O ATOM 560 CB SER A 36 3.543 -14.543 -2.054 1.00 0.00 C ATOM 561 OG SER A 36 3.159 -14.862 -3.384 1.00 0.00 O ATOM 0 H SER A 36 4.411 -12.958 0.092 1.00 0.00 H new ATOM 0 HA SER A 36 4.826 -12.984 -2.896 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.241 -15.291 -1.676 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.672 -14.560 -1.399 1.00 0.00 H new ATOM 0 HG SER A 36 2.744 -15.750 -3.401 1.00 0.00 H new ATOM 567 N GLY A 37 2.215 -12.117 -2.993 1.00 0.00 N ATOM 568 CA GLY A 37 1.156 -11.073 -3.075 1.00 0.00 C ATOM 569 C GLY A 37 -0.100 -11.646 -2.445 1.00 0.00 C ATOM 570 O GLY A 37 -0.932 -10.938 -1.911 1.00 0.00 O ATOM 0 H GLY A 37 2.157 -12.850 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.468 -10.168 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.972 -10.795 -4.113 1.00 0.00 H new ATOM 574 N GLU A 38 -0.215 -12.939 -2.480 1.00 0.00 N ATOM 575 CA GLU A 38 -1.378 -13.610 -1.862 1.00 0.00 C ATOM 576 C GLU A 38 -1.214 -13.531 -0.349 1.00 0.00 C ATOM 577 O GLU A 38 -2.145 -13.273 0.388 1.00 0.00 O ATOM 578 CB GLU A 38 -1.265 -15.053 -2.344 1.00 0.00 C ATOM 579 CG GLU A 38 -1.943 -15.211 -3.706 1.00 0.00 C ATOM 580 CD GLU A 38 -2.104 -16.701 -4.017 1.00 0.00 C ATOM 581 OE1 GLU A 38 -1.340 -17.483 -3.475 1.00 0.00 O ATOM 582 OE2 GLU A 38 -2.986 -17.035 -4.791 1.00 0.00 O ATOM 0 H GLU A 38 0.459 -13.566 -2.918 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.342 -13.172 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.216 -15.338 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.728 -15.723 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.917 -14.721 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.348 -14.728 -4.481 1.00 0.00 H new ATOM 589 N MET A 39 -0.009 -13.738 0.102 1.00 0.00 N ATOM 590 CA MET A 39 0.280 -13.667 1.555 1.00 0.00 C ATOM 591 C MET A 39 -0.009 -12.258 2.066 1.00 0.00 C ATOM 592 O MET A 39 -0.579 -12.066 3.126 1.00 0.00 O ATOM 593 CB MET A 39 1.774 -13.984 1.657 1.00 0.00 C ATOM 594 CG MET A 39 2.031 -15.388 1.114 1.00 0.00 C ATOM 595 SD MET A 39 0.957 -16.570 1.966 1.00 0.00 S ATOM 596 CE MET A 39 1.535 -16.230 3.647 1.00 0.00 C ATOM 0 H MET A 39 0.796 -13.956 -0.485 1.00 0.00 H new ATOM 0 HA MET A 39 -0.327 -14.352 2.148 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.352 -13.252 1.093 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.101 -13.917 2.695 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.841 -15.415 0.041 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.076 -15.660 1.259 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.377 -17.110 4.271 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.597 -15.987 3.624 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.979 -15.388 4.060 1.00 0.00 H new ATOM 606 N LEU A 40 0.371 -11.270 1.307 1.00 0.00 N ATOM 607 CA LEU A 40 0.117 -9.866 1.720 1.00 0.00 C ATOM 608 C LEU A 40 -1.383 -9.664 1.933 1.00 0.00 C ATOM 609 O LEU A 40 -1.810 -9.071 2.903 1.00 0.00 O ATOM 610 CB LEU A 40 0.639 -9.035 0.540 1.00 0.00 C ATOM 611 CG LEU A 40 -0.177 -7.749 0.369 1.00 0.00 C ATOM 612 CD1 LEU A 40 -0.200 -6.966 1.683 1.00 0.00 C ATOM 613 CD2 LEU A 40 0.462 -6.894 -0.726 1.00 0.00 C ATOM 0 H LEU A 40 0.850 -11.377 0.413 1.00 0.00 H new ATOM 0 HA LEU A 40 0.602 -9.586 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.688 -8.785 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.590 -9.625 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.200 -8.003 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.782 -6.054 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.654 -7.577 2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.819 -6.708 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.113 -5.977 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.485 -6.645 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.471 -7.450 -1.663 1.00 0.00 H new ATOM 625 N LEU A 41 -2.185 -10.157 1.032 1.00 0.00 N ATOM 626 CA LEU A 41 -3.652 -9.993 1.188 1.00 0.00 C ATOM 627 C LEU A 41 -4.102 -10.550 2.533 1.00 0.00 C ATOM 628 O LEU A 41 -4.801 -9.898 3.280 1.00 0.00 O ATOM 629 CB LEU A 41 -4.260 -10.813 0.057 1.00 0.00 C ATOM 630 CG LEU A 41 -3.831 -10.234 -1.283 1.00 0.00 C ATOM 631 CD1 LEU A 41 -4.323 -11.150 -2.405 1.00 0.00 C ATOM 632 CD2 LEU A 41 -4.447 -8.845 -1.447 1.00 0.00 C ATOM 0 H LEU A 41 -1.888 -10.664 0.198 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.955 -8.947 1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.939 -11.852 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.347 -10.808 0.135 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.745 -10.158 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.019 -10.741 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.891 -12.143 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.410 -11.220 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.144 -8.423 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.534 -8.922 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.103 -8.197 -0.641 1.00 0.00 H new ATOM 644 N GLU A 42 -3.703 -11.754 2.849 1.00 0.00 N ATOM 645 CA GLU A 42 -4.117 -12.354 4.146 1.00 0.00 C ATOM 646 C GLU A 42 -3.754 -11.414 5.298 1.00 0.00 C ATOM 647 O GLU A 42 -4.537 -11.191 6.198 1.00 0.00 O ATOM 648 CB GLU A 42 -3.340 -13.669 4.237 1.00 0.00 C ATOM 649 CG GLU A 42 -3.845 -14.495 5.423 1.00 0.00 C ATOM 650 CD GLU A 42 -3.850 -15.980 5.049 1.00 0.00 C ATOM 651 OE1 GLU A 42 -2.775 -16.528 4.861 1.00 0.00 O ATOM 652 OE2 GLU A 42 -4.928 -16.544 4.956 1.00 0.00 O ATOM 0 H GLU A 42 -3.110 -12.344 2.265 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.192 -12.520 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.457 -14.235 3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.276 -13.465 4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.207 -14.330 6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.850 -14.176 5.700 1.00 0.00 H new ATOM 659 N TYR A 43 -2.581 -10.845 5.269 1.00 0.00 N ATOM 660 CA TYR A 43 -2.185 -9.904 6.352 1.00 0.00 C ATOM 661 C TYR A 43 -3.122 -8.692 6.346 1.00 0.00 C ATOM 662 O TYR A 43 -3.512 -8.185 7.379 1.00 0.00 O ATOM 663 CB TYR A 43 -0.754 -9.492 6.000 1.00 0.00 C ATOM 664 CG TYR A 43 -0.429 -8.164 6.643 1.00 0.00 C ATOM 665 CD1 TYR A 43 -0.708 -6.970 5.964 1.00 0.00 C ATOM 666 CD2 TYR A 43 0.141 -8.126 7.920 1.00 0.00 C ATOM 667 CE1 TYR A 43 -0.415 -5.741 6.562 1.00 0.00 C ATOM 668 CE2 TYR A 43 0.432 -6.897 8.518 1.00 0.00 C ATOM 669 CZ TYR A 43 0.154 -5.704 7.840 1.00 0.00 C ATOM 670 OH TYR A 43 0.440 -4.492 8.432 1.00 0.00 O ATOM 0 H TYR A 43 -1.880 -10.991 4.542 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.244 -10.347 7.346 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.053 -10.253 6.342 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.643 -9.419 4.918 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.149 -7.000 4.979 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.356 -9.046 8.443 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.628 -4.821 6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.872 -6.867 9.504 1.00 0.00 H new ATOM 0 HH TYR A 43 0.830 -4.645 9.318 1.00 0.00 H new ATOM 680 N ALA A 44 -3.478 -8.224 5.181 1.00 0.00 N ATOM 681 CA ALA A 44 -4.383 -7.049 5.086 1.00 0.00 C ATOM 682 C ALA A 44 -5.805 -7.433 5.510 1.00 0.00 C ATOM 683 O ALA A 44 -6.548 -6.620 6.021 1.00 0.00 O ATOM 684 CB ALA A 44 -4.347 -6.661 3.608 1.00 0.00 C ATOM 0 H ALA A 44 -3.177 -8.610 4.286 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.076 -6.231 5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.991 -5.797 3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.325 -6.412 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.700 -7.497 3.004 1.00 0.00 H new ATOM 690 N GLN A 45 -6.191 -8.666 5.303 1.00 0.00 N ATOM 691 CA GLN A 45 -7.566 -9.094 5.696 1.00 0.00 C ATOM 692 C GLN A 45 -7.680 -9.201 7.214 1.00 0.00 C ATOM 693 O GLN A 45 -8.747 -9.411 7.749 1.00 0.00 O ATOM 694 CB GLN A 45 -7.765 -10.476 5.074 1.00 0.00 C ATOM 695 CG GLN A 45 -7.246 -10.483 3.641 1.00 0.00 C ATOM 696 CD GLN A 45 -8.352 -10.942 2.690 1.00 0.00 C ATOM 697 OE1 GLN A 45 -9.472 -11.179 3.104 1.00 0.00 O ATOM 698 NE2 GLN A 45 -8.080 -11.075 1.421 1.00 0.00 N ATOM 0 H GLN A 45 -5.614 -9.393 4.880 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.313 -8.377 5.357 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.240 -11.228 5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.822 -10.741 5.088 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.906 -9.485 3.363 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.385 -11.147 3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.141 -10.876 1.077 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.807 -11.378 0.773 1.00 0.00 H new ATOM 707 N THR A 46 -6.594 -9.063 7.919 1.00 0.00 N ATOM 708 CA THR A 46 -6.670 -9.163 9.402 1.00 0.00 C ATOM 709 C THR A 46 -6.619 -7.756 9.980 1.00 0.00 C ATOM 710 O THR A 46 -7.252 -7.443 10.967 1.00 0.00 O ATOM 711 CB THR A 46 -5.435 -9.968 9.811 1.00 0.00 C ATOM 712 OG1 THR A 46 -4.276 -9.157 9.651 1.00 0.00 O ATOM 713 CG2 THR A 46 -5.316 -11.214 8.928 1.00 0.00 C ATOM 0 H THR A 46 -5.665 -8.887 7.537 1.00 0.00 H new ATOM 0 HA THR A 46 -7.583 -9.639 9.760 1.00 0.00 H new ATOM 0 HB THR A 46 -5.527 -10.276 10.853 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.997 -9.167 8.712 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.435 -11.785 9.222 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.206 -11.832 9.048 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.222 -10.913 7.885 1.00 0.00 H new ATOM 721 N HIS A 47 -5.876 -6.906 9.340 1.00 0.00 N ATOM 722 CA HIS A 47 -5.762 -5.499 9.790 1.00 0.00 C ATOM 723 C HIS A 47 -5.765 -4.605 8.554 1.00 0.00 C ATOM 724 O HIS A 47 -4.779 -4.509 7.853 1.00 0.00 O ATOM 725 CB HIS A 47 -4.413 -5.418 10.513 1.00 0.00 C ATOM 726 CG HIS A 47 -4.213 -6.651 11.356 1.00 0.00 C ATOM 727 ND1 HIS A 47 -5.123 -7.034 12.330 1.00 0.00 N ATOM 728 CD2 HIS A 47 -3.212 -7.592 11.387 1.00 0.00 C ATOM 729 CE1 HIS A 47 -4.656 -8.159 12.903 1.00 0.00 C ATOM 730 NE2 HIS A 47 -3.495 -8.543 12.364 1.00 0.00 N ATOM 0 H HIS A 47 -5.332 -7.132 8.507 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.576 -5.183 10.443 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.605 -5.327 9.787 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.379 -4.527 11.140 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.339 -7.594 10.751 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.158 -8.687 13.701 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.936 -9.358 12.615 1.00 0.00 H new ATOM 738 N ARG A 48 -6.868 -3.975 8.257 1.00 0.00 N ATOM 739 CA ARG A 48 -6.912 -3.110 7.043 1.00 0.00 C ATOM 740 C ARG A 48 -6.614 -1.668 7.434 1.00 0.00 C ATOM 741 O ARG A 48 -5.718 -1.035 6.910 1.00 0.00 O ATOM 742 CB ARG A 48 -8.342 -3.211 6.494 1.00 0.00 C ATOM 743 CG ARG A 48 -8.962 -4.565 6.848 1.00 0.00 C ATOM 744 CD ARG A 48 -10.093 -4.882 5.866 1.00 0.00 C ATOM 745 NE ARG A 48 -10.877 -5.978 6.504 1.00 0.00 N ATOM 746 CZ ARG A 48 -11.924 -6.471 5.897 1.00 0.00 C ATOM 747 NH1 ARG A 48 -12.281 -6.009 4.727 1.00 0.00 N ATOM 748 NH2 ARG A 48 -12.616 -7.427 6.456 1.00 0.00 N ATOM 0 H ARG A 48 -7.733 -4.020 8.796 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.177 -3.423 6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.953 -2.407 6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.332 -3.082 5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.203 -5.346 6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.346 -4.545 7.868 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.716 -4.005 5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.698 -5.193 4.899 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.596 -6.343 7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.742 -5.263 4.287 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.098 -6.395 4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.340 -7.790 7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.433 -7.810 5.980 1.00 0.00 H new ATOM 762 N ASP A 49 -7.372 -1.154 8.355 1.00 0.00 N ATOM 763 CA ASP A 49 -7.167 0.247 8.816 1.00 0.00 C ATOM 764 C ASP A 49 -5.828 0.366 9.540 1.00 0.00 C ATOM 765 O ASP A 49 -5.144 1.364 9.448 1.00 0.00 O ATOM 766 CB ASP A 49 -8.315 0.512 9.789 1.00 0.00 C ATOM 767 CG ASP A 49 -9.630 0.573 9.016 1.00 0.00 C ATOM 768 OD1 ASP A 49 -9.587 0.430 7.805 1.00 0.00 O ATOM 769 OD2 ASP A 49 -10.658 0.764 9.644 1.00 0.00 O ATOM 0 H ASP A 49 -8.136 -1.649 8.816 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.155 0.958 7.990 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.358 -0.276 10.541 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.148 1.450 10.319 1.00 0.00 H new ATOM 774 N GLN A 50 -5.452 -0.652 10.262 1.00 0.00 N ATOM 775 CA GLN A 50 -4.159 -0.605 10.997 1.00 0.00 C ATOM 776 C GLN A 50 -3.020 -0.395 10.003 1.00 0.00 C ATOM 777 O GLN A 50 -1.978 0.123 10.346 1.00 0.00 O ATOM 778 CB GLN A 50 -4.039 -1.967 11.687 1.00 0.00 C ATOM 779 CG GLN A 50 -5.228 -2.171 12.629 1.00 0.00 C ATOM 780 CD GLN A 50 -5.134 -3.554 13.276 1.00 0.00 C ATOM 781 OE1 GLN A 50 -4.083 -3.950 13.742 1.00 0.00 O ATOM 782 NE2 GLN A 50 -6.194 -4.315 13.319 1.00 0.00 N ATOM 0 H GLN A 50 -5.985 -1.515 10.375 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.113 0.210 11.720 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.011 -2.762 10.942 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.105 -2.022 12.246 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.234 -1.398 13.397 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.163 -2.079 12.077 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.076 -3.984 12.928 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.140 -5.241 13.743 1.00 0.00 H new ATOM 791 N ILE A 51 -3.220 -0.781 8.771 1.00 0.00 N ATOM 792 CA ILE A 51 -2.148 -0.590 7.753 1.00 0.00 C ATOM 793 C ILE A 51 -2.063 0.891 7.391 1.00 0.00 C ATOM 794 O ILE A 51 -3.032 1.496 6.974 1.00 0.00 O ATOM 795 CB ILE A 51 -2.585 -1.408 6.535 1.00 0.00 C ATOM 796 CG1 ILE A 51 -3.072 -2.782 6.985 1.00 0.00 C ATOM 797 CG2 ILE A 51 -1.403 -1.585 5.580 1.00 0.00 C ATOM 798 CD1 ILE A 51 -2.072 -3.388 7.971 1.00 0.00 C ATOM 0 H ILE A 51 -4.075 -1.218 8.427 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.169 -0.907 8.114 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.392 -0.882 6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.052 -2.695 7.454 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.189 -3.437 6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.719 -2.168 4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.052 -0.607 5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.595 -2.106 6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.424 -4.369 8.290 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.101 -3.491 7.487 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.978 -2.737 8.840 1.00 0.00 H new ATOM 810 N ASP A 52 -0.921 1.485 7.560 1.00 0.00 N ATOM 811 CA ASP A 52 -0.786 2.926 7.237 1.00 0.00 C ATOM 812 C ASP A 52 -0.373 3.112 5.779 1.00 0.00 C ATOM 813 O ASP A 52 -0.725 4.087 5.159 1.00 0.00 O ATOM 814 CB ASP A 52 0.297 3.431 8.178 1.00 0.00 C ATOM 815 CG ASP A 52 -0.314 3.695 9.556 1.00 0.00 C ATOM 816 OD1 ASP A 52 -1.233 2.981 9.921 1.00 0.00 O ATOM 817 OD2 ASP A 52 0.148 4.606 10.222 1.00 0.00 O ATOM 0 H ASP A 52 -0.074 1.035 7.908 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.722 3.470 7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.098 2.696 8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.741 4.345 7.783 1.00 0.00 H new ATOM 822 N CYS A 53 0.371 2.185 5.234 1.00 0.00 N ATOM 823 CA CYS A 53 0.808 2.311 3.808 1.00 0.00 C ATOM 824 C CYS A 53 1.176 0.932 3.244 1.00 0.00 C ATOM 825 O CYS A 53 1.826 0.142 3.897 1.00 0.00 O ATOM 826 CB CYS A 53 2.044 3.215 3.854 1.00 0.00 C ATOM 827 SG CYS A 53 1.909 4.503 2.591 1.00 0.00 S ATOM 0 H CYS A 53 0.696 1.345 5.713 1.00 0.00 H new ATOM 0 HA CYS A 53 0.025 2.719 3.169 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.137 3.669 4.841 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.945 2.624 3.689 1.00 0.00 H new ATOM 0 HG CYS A 53 1.242 4.045 1.574 1.00 0.00 H new ATOM 833 N LEU A 54 0.784 0.632 2.033 1.00 0.00 N ATOM 834 CA LEU A 54 1.154 -0.701 1.471 1.00 0.00 C ATOM 835 C LEU A 54 2.154 -0.513 0.335 1.00 0.00 C ATOM 836 O LEU A 54 1.992 0.354 -0.498 1.00 0.00 O ATOM 837 CB LEU A 54 -0.138 -1.309 0.933 1.00 0.00 C ATOM 838 CG LEU A 54 0.044 -2.823 0.776 1.00 0.00 C ATOM 839 CD1 LEU A 54 -1.319 -3.514 0.818 1.00 0.00 C ATOM 840 CD2 LEU A 54 0.719 -3.126 -0.564 1.00 0.00 C ATOM 0 H LEU A 54 0.236 1.236 1.421 1.00 0.00 H new ATOM 0 HA LEU A 54 1.611 -1.345 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.964 -1.099 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.393 -0.860 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 54 0.666 -3.192 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.185 -4.590 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.803 -3.306 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.942 -3.139 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.847 -4.203 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.098 -2.751 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.694 -2.640 -0.598 1.00 0.00 H new ATOM 852 N ILE A 55 3.175 -1.319 0.275 1.00 0.00 N ATOM 853 CA ILE A 55 4.151 -1.167 -0.842 1.00 0.00 C ATOM 854 C ILE A 55 3.933 -2.289 -1.852 1.00 0.00 C ATOM 855 O ILE A 55 3.695 -3.427 -1.489 1.00 0.00 O ATOM 856 CB ILE A 55 5.547 -1.288 -0.236 1.00 0.00 C ATOM 857 CG1 ILE A 55 5.731 -0.288 0.902 1.00 0.00 C ATOM 858 CG2 ILE A 55 6.578 -0.993 -1.324 1.00 0.00 C ATOM 859 CD1 ILE A 55 7.076 -0.561 1.578 1.00 0.00 C ATOM 0 H ILE A 55 3.376 -2.066 0.939 1.00 0.00 H new ATOM 0 HA ILE A 55 4.029 -0.209 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 55 5.676 -2.296 0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.700 0.732 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.919 -0.382 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.581 -1.075 -0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.464 -1.709 -2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.426 0.017 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.223 0.146 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.086 -1.577 1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.879 -0.446 0.850 1.00 0.00 H new ATOM 871 N LEU A 56 4.004 -1.986 -3.115 1.00 0.00 N ATOM 872 CA LEU A 56 3.795 -3.042 -4.139 1.00 0.00 C ATOM 873 C LEU A 56 4.797 -2.911 -5.277 1.00 0.00 C ATOM 874 O LEU A 56 5.318 -1.848 -5.548 1.00 0.00 O ATOM 875 CB LEU A 56 2.389 -2.801 -4.673 1.00 0.00 C ATOM 876 CG LEU A 56 1.361 -3.165 -3.606 1.00 0.00 C ATOM 877 CD1 LEU A 56 -0.036 -2.841 -4.132 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.461 -4.661 -3.294 1.00 0.00 C ATOM 0 H LEU A 56 4.197 -1.054 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 56 3.924 -4.037 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.274 -1.756 -4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.223 -3.398 -5.569 1.00 0.00 H new ATOM 0 HG LEU A 56 1.551 -2.595 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.778 -3.098 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.102 -1.777 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.226 -3.417 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.727 -4.924 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.265 -5.235 -4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.462 -4.890 -2.928 1.00 0.00 H new ATOM 890 N VAL A 57 5.042 -3.987 -5.967 1.00 0.00 N ATOM 891 CA VAL A 57 5.982 -3.937 -7.115 1.00 0.00 C ATOM 892 C VAL A 57 5.207 -4.262 -8.394 1.00 0.00 C ATOM 893 O VAL A 57 4.795 -5.385 -8.611 1.00 0.00 O ATOM 894 CB VAL A 57 7.031 -5.008 -6.820 1.00 0.00 C ATOM 895 CG1 VAL A 57 7.994 -5.131 -8.003 1.00 0.00 C ATOM 896 CG2 VAL A 57 7.815 -4.614 -5.566 1.00 0.00 C ATOM 0 H VAL A 57 4.630 -4.902 -5.784 1.00 0.00 H new ATOM 0 HA VAL A 57 6.449 -2.961 -7.250 1.00 0.00 H new ATOM 0 HB VAL A 57 6.535 -5.965 -6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.740 -5.896 -7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.437 -5.409 -8.898 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.492 -4.175 -8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.565 -5.375 -5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.308 -3.656 -5.731 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.132 -4.530 -4.721 1.00 0.00 H new ATOM 906 N ALA A 58 4.990 -3.288 -9.232 1.00 0.00 N ATOM 907 CA ALA A 58 4.221 -3.536 -10.488 1.00 0.00 C ATOM 908 C ALA A 58 5.006 -4.450 -11.428 1.00 0.00 C ATOM 909 O ALA A 58 4.503 -4.891 -12.442 1.00 0.00 O ATOM 910 CB ALA A 58 4.043 -2.156 -11.119 1.00 0.00 C ATOM 0 H ALA A 58 5.311 -2.329 -9.103 1.00 0.00 H new ATOM 0 HA ALA A 58 3.268 -4.028 -10.293 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.485 -2.251 -12.051 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.496 -1.510 -10.433 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.021 -1.721 -11.325 1.00 0.00 H new ATOM 916 N ALA A 59 6.237 -4.729 -11.107 1.00 0.00 N ATOM 917 CA ALA A 59 7.051 -5.602 -11.995 1.00 0.00 C ATOM 918 C ALA A 59 6.612 -7.068 -11.883 1.00 0.00 C ATOM 919 O ALA A 59 7.064 -7.912 -12.632 1.00 0.00 O ATOM 920 CB ALA A 59 8.487 -5.431 -11.505 1.00 0.00 C ATOM 0 H ALA A 59 6.714 -4.391 -10.271 1.00 0.00 H new ATOM 0 HA ALA A 59 6.937 -5.330 -13.044 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.154 -6.045 -12.111 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.779 -4.384 -11.592 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.555 -5.742 -10.462 1.00 0.00 H new ATOM 926 N ASN A 60 5.739 -7.388 -10.966 1.00 0.00 N ATOM 927 CA ASN A 60 5.295 -8.808 -10.839 1.00 0.00 C ATOM 928 C ASN A 60 4.253 -9.130 -11.918 1.00 0.00 C ATOM 929 O ASN A 60 3.729 -8.242 -12.561 1.00 0.00 O ATOM 930 CB ASN A 60 4.691 -8.925 -9.440 1.00 0.00 C ATOM 931 CG ASN A 60 5.812 -9.075 -8.411 1.00 0.00 C ATOM 932 OD1 ASN A 60 6.466 -8.112 -8.065 1.00 0.00 O ATOM 933 ND2 ASN A 60 6.065 -10.251 -7.904 1.00 0.00 N ATOM 0 H ASN A 60 5.317 -6.736 -10.305 1.00 0.00 H new ATOM 0 HA ASN A 60 6.117 -9.511 -10.973 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.093 -8.042 -9.216 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.022 -9.784 -9.392 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.812 -10.361 -7.218 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.516 -11.060 -8.194 1.00 0.00 H new ATOM 940 N PRO A 61 4.007 -10.401 -12.094 1.00 0.00 N ATOM 941 CA PRO A 61 3.042 -10.859 -13.122 1.00 0.00 C ATOM 942 C PRO A 61 1.593 -10.767 -12.631 1.00 0.00 C ATOM 943 O PRO A 61 0.776 -10.073 -13.202 1.00 0.00 O ATOM 944 CB PRO A 61 3.429 -12.315 -13.342 1.00 0.00 C ATOM 945 CG PRO A 61 4.087 -12.752 -12.068 1.00 0.00 C ATOM 946 CD PRO A 61 4.602 -11.520 -11.360 1.00 0.00 C ATOM 0 HA PRO A 61 3.084 -10.249 -14.025 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.553 -12.925 -13.560 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.107 -12.417 -14.189 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.377 -13.285 -11.436 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.906 -13.440 -12.279 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.304 -11.511 -10.312 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.691 -11.475 -11.382 1.00 0.00 H new ATOM 954 N SER A 62 1.263 -11.484 -11.596 1.00 0.00 N ATOM 955 CA SER A 62 -0.142 -11.465 -11.082 1.00 0.00 C ATOM 956 C SER A 62 -0.303 -10.439 -9.961 1.00 0.00 C ATOM 957 O SER A 62 -1.216 -10.516 -9.162 1.00 0.00 O ATOM 958 CB SER A 62 -0.380 -12.875 -10.551 1.00 0.00 C ATOM 959 OG SER A 62 0.851 -13.415 -10.089 1.00 0.00 O ATOM 0 H SER A 62 1.904 -12.086 -11.079 1.00 0.00 H new ATOM 0 HA SER A 62 -0.855 -11.186 -11.858 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.108 -12.853 -9.740 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.796 -13.507 -11.336 1.00 0.00 H new ATOM 0 HG SER A 62 0.702 -14.321 -9.745 1.00 0.00 H new ATOM 965 N PHE A 63 0.569 -9.478 -9.897 1.00 0.00 N ATOM 966 CA PHE A 63 0.455 -8.447 -8.834 1.00 0.00 C ATOM 967 C PHE A 63 -0.893 -7.719 -8.957 1.00 0.00 C ATOM 968 O PHE A 63 -1.596 -7.530 -7.984 1.00 0.00 O ATOM 969 CB PHE A 63 1.650 -7.522 -9.087 1.00 0.00 C ATOM 970 CG PHE A 63 1.318 -6.106 -8.696 1.00 0.00 C ATOM 971 CD1 PHE A 63 1.115 -5.779 -7.356 1.00 0.00 C ATOM 972 CD2 PHE A 63 1.208 -5.122 -9.684 1.00 0.00 C ATOM 973 CE1 PHE A 63 0.801 -4.467 -6.999 1.00 0.00 C ATOM 974 CE2 PHE A 63 0.896 -3.808 -9.330 1.00 0.00 C ATOM 975 CZ PHE A 63 0.692 -3.480 -7.985 1.00 0.00 C ATOM 0 H PHE A 63 1.356 -9.361 -10.535 1.00 0.00 H new ATOM 0 HA PHE A 63 0.476 -8.851 -7.822 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.512 -7.869 -8.518 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.928 -7.558 -10.140 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.201 -6.540 -6.595 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.365 -5.379 -10.721 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.642 -4.213 -5.961 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.812 -3.047 -10.092 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.450 -2.465 -7.708 1.00 0.00 H new ATOM 985 N ARG A 64 -1.266 -7.326 -10.145 1.00 0.00 N ATOM 986 CA ARG A 64 -2.574 -6.634 -10.322 1.00 0.00 C ATOM 987 C ARG A 64 -3.685 -7.444 -9.646 1.00 0.00 C ATOM 988 O ARG A 64 -4.560 -6.901 -9.003 1.00 0.00 O ATOM 989 CB ARG A 64 -2.796 -6.588 -11.836 1.00 0.00 C ATOM 990 CG ARG A 64 -2.188 -5.306 -12.413 1.00 0.00 C ATOM 991 CD ARG A 64 -0.667 -5.455 -12.523 1.00 0.00 C ATOM 992 NE ARG A 64 -0.332 -4.905 -13.869 1.00 0.00 N ATOM 993 CZ ARG A 64 0.717 -5.332 -14.526 1.00 0.00 C ATOM 994 NH1 ARG A 64 1.505 -6.234 -14.003 1.00 0.00 N ATOM 995 NH2 ARG A 64 0.980 -4.849 -15.708 1.00 0.00 N ATOM 0 H ARG A 64 -0.723 -7.454 -10.999 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.582 -5.638 -9.878 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.341 -7.460 -12.306 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.863 -6.627 -12.057 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.614 -5.101 -13.395 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.434 -4.457 -11.775 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.157 -4.906 -11.732 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.363 -6.498 -12.434 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.928 -4.188 -14.282 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.305 -6.611 -13.076 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.320 -6.561 -14.521 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.370 -4.142 -16.117 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.796 -5.179 -16.224 1.00 0.00 H new ATOM 1009 N ALA A 65 -3.646 -8.742 -9.773 1.00 0.00 N ATOM 1010 CA ALA A 65 -4.691 -9.589 -9.128 1.00 0.00 C ATOM 1011 C ALA A 65 -4.654 -9.369 -7.614 1.00 0.00 C ATOM 1012 O ALA A 65 -5.673 -9.300 -6.956 1.00 0.00 O ATOM 1013 CB ALA A 65 -4.308 -11.030 -9.480 1.00 0.00 C ATOM 0 H ALA A 65 -2.935 -9.254 -10.296 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.700 -9.352 -9.467 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.031 -11.717 -9.040 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.305 -11.151 -10.563 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.315 -11.249 -9.087 1.00 0.00 H new ATOM 1019 N VAL A 66 -3.478 -9.241 -7.071 1.00 0.00 N ATOM 1020 CA VAL A 66 -3.341 -9.008 -5.606 1.00 0.00 C ATOM 1021 C VAL A 66 -3.991 -7.678 -5.221 1.00 0.00 C ATOM 1022 O VAL A 66 -4.766 -7.592 -4.283 1.00 0.00 O ATOM 1023 CB VAL A 66 -1.836 -8.931 -5.375 1.00 0.00 C ATOM 1024 CG1 VAL A 66 -1.549 -8.789 -3.879 1.00 0.00 C ATOM 1025 CG2 VAL A 66 -1.171 -10.200 -5.910 1.00 0.00 C ATOM 0 H VAL A 66 -2.597 -9.288 -7.583 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.821 -9.787 -5.014 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.434 -8.064 -5.900 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.472 -8.734 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.018 -7.880 -3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.952 -9.651 -3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.095 -10.144 -5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.574 -11.069 -5.390 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.370 -10.292 -6.978 1.00 0.00 H new ATOM 1035 N VAL A 67 -3.667 -6.637 -5.935 1.00 0.00 N ATOM 1036 CA VAL A 67 -4.248 -5.308 -5.609 1.00 0.00 C ATOM 1037 C VAL A 67 -5.773 -5.362 -5.687 1.00 0.00 C ATOM 1038 O VAL A 67 -6.468 -4.788 -4.867 1.00 0.00 O ATOM 1039 CB VAL A 67 -3.705 -4.352 -6.668 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -3.954 -2.922 -6.203 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -2.202 -4.572 -6.864 1.00 0.00 C ATOM 0 H VAL A 67 -3.026 -6.650 -6.728 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.985 -4.991 -4.600 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.209 -4.535 -7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.572 -2.225 -6.949 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.024 -2.763 -6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.444 -2.754 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.829 -3.883 -7.622 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.682 -4.392 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.023 -5.598 -7.187 1.00 0.00 H new ATOM 1051 N GLN A 68 -6.306 -6.043 -6.664 1.00 0.00 N ATOM 1052 CA GLN A 68 -7.784 -6.120 -6.775 1.00 0.00 C ATOM 1053 C GLN A 68 -8.359 -6.808 -5.529 1.00 0.00 C ATOM 1054 O GLN A 68 -9.436 -6.480 -5.067 1.00 0.00 O ATOM 1055 CB GLN A 68 -8.045 -6.924 -8.063 1.00 0.00 C ATOM 1056 CG GLN A 68 -8.460 -8.361 -7.739 1.00 0.00 C ATOM 1057 CD GLN A 68 -9.952 -8.384 -7.402 1.00 0.00 C ATOM 1058 OE1 GLN A 68 -10.512 -7.380 -7.007 1.00 0.00 O ATOM 1059 NE2 GLN A 68 -10.626 -9.490 -7.549 1.00 0.00 N ATOM 0 H GLN A 68 -5.785 -6.544 -7.383 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.265 -5.143 -6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.827 -6.439 -8.646 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.146 -6.932 -8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.256 -9.013 -8.589 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.878 -8.741 -6.899 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.157 -10.333 -7.880 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.623 -9.513 -7.333 1.00 0.00 H new ATOM 1068 N GLN A 69 -7.645 -7.759 -4.985 1.00 0.00 N ATOM 1069 CA GLN A 69 -8.151 -8.462 -3.775 1.00 0.00 C ATOM 1070 C GLN A 69 -8.289 -7.475 -2.616 1.00 0.00 C ATOM 1071 O GLN A 69 -9.263 -7.492 -1.888 1.00 0.00 O ATOM 1072 CB GLN A 69 -7.096 -9.518 -3.447 1.00 0.00 C ATOM 1073 CG GLN A 69 -7.659 -10.478 -2.398 1.00 0.00 C ATOM 1074 CD GLN A 69 -8.656 -11.435 -3.058 1.00 0.00 C ATOM 1075 OE1 GLN A 69 -9.851 -11.310 -2.872 1.00 0.00 O ATOM 1076 NE2 GLN A 69 -8.212 -12.391 -3.825 1.00 0.00 N ATOM 0 H GLN A 69 -6.738 -8.076 -5.326 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.132 -8.908 -3.942 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.819 -10.066 -4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.190 -9.041 -3.073 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.849 -11.043 -1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.150 -9.917 -1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.209 -12.496 -3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.867 -13.034 -4.269 1.00 0.00 H new ATOM 1085 N LEU A 70 -7.323 -6.611 -2.438 1.00 0.00 N ATOM 1086 CA LEU A 70 -7.418 -5.627 -1.323 1.00 0.00 C ATOM 1087 C LEU A 70 -8.683 -4.789 -1.495 1.00 0.00 C ATOM 1088 O LEU A 70 -9.473 -4.642 -0.583 1.00 0.00 O ATOM 1089 CB LEU A 70 -6.165 -4.757 -1.437 1.00 0.00 C ATOM 1090 CG LEU A 70 -4.992 -5.449 -0.732 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -3.761 -5.412 -1.636 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -4.668 -4.714 0.568 1.00 0.00 C ATOM 0 H LEU A 70 -6.482 -6.545 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.475 -6.105 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.923 -4.587 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.346 -3.780 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.265 -6.482 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.927 -5.904 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.980 -5.930 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.497 -4.376 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.834 -5.208 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.398 -3.682 0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.541 -4.727 1.221 1.00 0.00 H new ATOM 1104 N CYS A 71 -8.893 -4.258 -2.670 1.00 0.00 N ATOM 1105 CA CYS A 71 -10.123 -3.448 -2.908 1.00 0.00 C ATOM 1106 C CYS A 71 -11.356 -4.345 -2.774 1.00 0.00 C ATOM 1107 O CYS A 71 -12.406 -3.924 -2.329 1.00 0.00 O ATOM 1108 CB CYS A 71 -9.996 -2.943 -4.344 1.00 0.00 C ATOM 1109 SG CYS A 71 -8.529 -1.900 -4.494 1.00 0.00 S ATOM 0 H CYS A 71 -8.269 -4.349 -3.472 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.228 -2.629 -2.197 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.927 -3.786 -5.032 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.886 -2.378 -4.621 1.00 0.00 H new ATOM 0 HG CYS A 71 -7.487 -2.553 -4.072 1.00 0.00 H new ATOM 1115 N PHE A 72 -11.227 -5.582 -3.169 1.00 0.00 N ATOM 1116 CA PHE A 72 -12.374 -6.531 -3.089 1.00 0.00 C ATOM 1117 C PHE A 72 -12.861 -6.667 -1.648 1.00 0.00 C ATOM 1118 O PHE A 72 -14.044 -6.638 -1.376 1.00 0.00 O ATOM 1119 CB PHE A 72 -11.792 -7.853 -3.575 1.00 0.00 C ATOM 1120 CG PHE A 72 -12.895 -8.864 -3.753 1.00 0.00 C ATOM 1121 CD1 PHE A 72 -14.086 -8.503 -4.396 1.00 0.00 C ATOM 1122 CD2 PHE A 72 -12.726 -10.169 -3.276 1.00 0.00 C ATOM 1123 CE1 PHE A 72 -15.106 -9.448 -4.560 1.00 0.00 C ATOM 1124 CE2 PHE A 72 -13.744 -11.113 -3.440 1.00 0.00 C ATOM 1125 CZ PHE A 72 -14.936 -10.753 -4.084 1.00 0.00 C ATOM 0 H PHE A 72 -10.367 -5.980 -3.548 1.00 0.00 H new ATOM 0 HA PHE A 72 -13.231 -6.202 -3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.267 -7.704 -4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -11.059 -8.223 -2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -14.217 -7.497 -4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -11.808 -10.447 -2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -16.025 -9.170 -5.054 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -13.612 -12.119 -3.071 1.00 0.00 H new ATOM 0 HZ PHE A 72 -15.722 -11.482 -4.213 1.00 0.00 H new ATOM 1135 N GLU A 73 -11.954 -6.805 -0.726 1.00 0.00 N ATOM 1136 CA GLU A 73 -12.360 -6.928 0.698 1.00 0.00 C ATOM 1137 C GLU A 73 -12.571 -5.528 1.280 1.00 0.00 C ATOM 1138 O GLU A 73 -12.940 -5.368 2.426 1.00 0.00 O ATOM 1139 CB GLU A 73 -11.190 -7.631 1.388 1.00 0.00 C ATOM 1140 CG GLU A 73 -10.889 -8.949 0.674 1.00 0.00 C ATOM 1141 CD GLU A 73 -11.998 -9.960 0.970 1.00 0.00 C ATOM 1142 OE1 GLU A 73 -12.777 -9.711 1.875 1.00 0.00 O ATOM 1143 OE2 GLU A 73 -12.047 -10.969 0.286 1.00 0.00 O ATOM 0 H GLU A 73 -10.949 -6.838 -0.897 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.289 -7.483 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.309 -6.990 1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.432 -7.820 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.813 -8.783 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.928 -9.342 1.005 1.00 0.00 H new ATOM 1150 N GLY A 74 -12.335 -4.512 0.489 1.00 0.00 N ATOM 1151 CA GLY A 74 -12.517 -3.121 0.983 1.00 0.00 C ATOM 1152 C GLY A 74 -11.220 -2.622 1.627 1.00 0.00 C ATOM 1153 O GLY A 74 -11.215 -1.641 2.343 1.00 0.00 O ATOM 0 H GLY A 74 -12.024 -4.590 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.799 -2.467 0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.330 -3.087 1.708 1.00 0.00 H new ATOM 1157 N VAL A 75 -10.115 -3.281 1.380 1.00 0.00 N ATOM 1158 CA VAL A 75 -8.831 -2.824 1.991 1.00 0.00 C ATOM 1159 C VAL A 75 -8.148 -1.779 1.096 1.00 0.00 C ATOM 1160 O VAL A 75 -7.435 -2.115 0.173 1.00 0.00 O ATOM 1161 CB VAL A 75 -7.958 -4.082 2.092 1.00 0.00 C ATOM 1162 CG1 VAL A 75 -6.724 -3.783 2.944 1.00 0.00 C ATOM 1163 CG2 VAL A 75 -8.751 -5.222 2.741 1.00 0.00 C ATOM 0 H VAL A 75 -10.047 -4.108 0.787 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.992 -2.357 2.962 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.652 -4.380 1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.105 -4.678 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.149 -2.980 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.037 -3.478 3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.123 -6.110 2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.065 -4.923 3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.630 -5.444 2.136 1.00 0.00 H new ATOM 1173 N VAL A 76 -8.347 -0.516 1.373 1.00 0.00 N ATOM 1174 CA VAL A 76 -7.697 0.550 0.549 1.00 0.00 C ATOM 1175 C VAL A 76 -6.702 1.333 1.419 1.00 0.00 C ATOM 1176 O VAL A 76 -6.979 1.649 2.559 1.00 0.00 O ATOM 1177 CB VAL A 76 -8.841 1.453 0.075 1.00 0.00 C ATOM 1178 CG1 VAL A 76 -8.362 2.329 -1.085 1.00 0.00 C ATOM 1179 CG2 VAL A 76 -10.012 0.589 -0.401 1.00 0.00 C ATOM 0 H VAL A 76 -8.933 -0.175 2.136 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.139 0.146 -0.296 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.162 2.086 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.179 2.969 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.528 2.948 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.038 1.695 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.825 1.232 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.685 -0.045 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.361 -0.036 0.421 1.00 0.00 H new ATOM 1189 N VAL A 77 -5.536 1.620 0.902 1.00 0.00 N ATOM 1190 CA VAL A 77 -4.510 2.357 1.717 1.00 0.00 C ATOM 1191 C VAL A 77 -3.553 3.130 0.808 1.00 0.00 C ATOM 1192 O VAL A 77 -3.479 2.865 -0.370 1.00 0.00 O ATOM 1193 CB VAL A 77 -3.727 1.249 2.426 1.00 0.00 C ATOM 1194 CG1 VAL A 77 -4.514 0.734 3.630 1.00 0.00 C ATOM 1195 CG2 VAL A 77 -3.486 0.102 1.439 1.00 0.00 C ATOM 0 H VAL A 77 -5.245 1.379 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.970 3.074 2.398 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.774 1.646 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.947 -0.054 4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.686 1.552 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.472 0.335 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.929 -0.693 1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.443 -0.287 1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.914 0.469 0.587 1.00 0.00 H new ATOM 1205 N PRO A 78 -2.798 4.022 1.391 1.00 0.00 N ATOM 1206 CA PRO A 78 -1.797 4.779 0.606 1.00 0.00 C ATOM 1207 C PRO A 78 -0.762 3.785 0.093 1.00 0.00 C ATOM 1208 O PRO A 78 0.197 3.470 0.759 1.00 0.00 O ATOM 1209 CB PRO A 78 -1.193 5.745 1.623 1.00 0.00 C ATOM 1210 CG PRO A 78 -1.453 5.100 2.938 1.00 0.00 C ATOM 1211 CD PRO A 78 -2.780 4.400 2.804 1.00 0.00 C ATOM 0 HA PRO A 78 -2.197 5.312 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.126 5.886 1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.658 6.729 1.563 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.663 4.392 3.188 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.482 5.841 3.737 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.848 3.530 3.458 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.612 5.056 3.059 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.983 3.247 -1.066 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.047 2.228 -1.598 1.00 0.00 C ATOM 1221 C ALA A 79 0.903 2.828 -2.636 1.00 0.00 C ATOM 1222 O ALA A 79 0.501 3.535 -3.541 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.965 1.174 -2.220 1.00 0.00 C ATOM 0 H ALA A 79 -1.774 3.469 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 79 0.601 1.813 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.362 0.371 -2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.624 0.767 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.564 1.632 -3.007 1.00 0.00 H new ATOM 1229 N ILE A 80 2.167 2.539 -2.492 1.00 0.00 N ATOM 1230 CA ILE A 80 3.192 3.059 -3.435 1.00 0.00 C ATOM 1231 C ILE A 80 3.554 1.950 -4.431 1.00 0.00 C ATOM 1232 O ILE A 80 4.032 0.902 -4.050 1.00 0.00 O ATOM 1233 CB ILE A 80 4.366 3.406 -2.515 1.00 0.00 C ATOM 1234 CG1 ILE A 80 3.840 4.276 -1.367 1.00 0.00 C ATOM 1235 CG2 ILE A 80 5.441 4.169 -3.288 1.00 0.00 C ATOM 1236 CD1 ILE A 80 4.930 4.480 -0.314 1.00 0.00 C ATOM 0 H ILE A 80 2.538 1.952 -1.745 1.00 0.00 H new ATOM 0 HA ILE A 80 2.875 3.916 -4.029 1.00 0.00 H new ATOM 0 HB ILE A 80 4.809 2.490 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.513 5.241 -1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.970 3.803 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.269 4.408 -2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.805 3.553 -4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.018 5.091 -3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.543 5.099 0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.237 3.513 0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.788 4.973 -0.770 1.00 0.00 H new ATOM 1248 N VAL A 81 3.303 2.152 -5.699 1.00 0.00 N ATOM 1249 CA VAL A 81 3.608 1.078 -6.692 1.00 0.00 C ATOM 1250 C VAL A 81 5.015 1.250 -7.276 1.00 0.00 C ATOM 1251 O VAL A 81 5.448 2.346 -7.572 1.00 0.00 O ATOM 1252 CB VAL A 81 2.548 1.235 -7.786 1.00 0.00 C ATOM 1253 CG1 VAL A 81 2.577 0.007 -8.696 1.00 0.00 C ATOM 1254 CG2 VAL A 81 1.160 1.361 -7.144 1.00 0.00 C ATOM 0 H VAL A 81 2.904 3.006 -6.088 1.00 0.00 H new ATOM 0 HA VAL A 81 3.585 0.088 -6.235 1.00 0.00 H new ATOM 0 HB VAL A 81 2.758 2.131 -8.370 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.824 0.115 -9.476 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.562 -0.084 -9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.366 -0.886 -8.108 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.407 1.473 -7.924 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.947 0.466 -6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.139 2.234 -6.492 1.00 0.00 H new ATOM 1264 N VAL A 82 5.732 0.168 -7.436 1.00 0.00 N ATOM 1265 CA VAL A 82 7.115 0.257 -7.990 1.00 0.00 C ATOM 1266 C VAL A 82 7.216 -0.495 -9.326 1.00 0.00 C ATOM 1267 O VAL A 82 6.535 -1.472 -9.553 1.00 0.00 O ATOM 1268 CB VAL A 82 8.002 -0.421 -6.941 1.00 0.00 C ATOM 1269 CG1 VAL A 82 9.470 -0.116 -7.238 1.00 0.00 C ATOM 1270 CG2 VAL A 82 7.645 0.105 -5.548 1.00 0.00 C ATOM 0 H VAL A 82 5.418 -0.775 -7.206 1.00 0.00 H new ATOM 0 HA VAL A 82 7.408 1.289 -8.184 1.00 0.00 H new ATOM 0 HB VAL A 82 7.840 -1.498 -6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.100 -0.599 -6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.727 -0.493 -8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.631 0.962 -7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.277 -0.379 -4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.804 1.183 -5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.599 -0.114 -5.333 1.00 0.00 H new ATOM 1280 N GLY A 83 8.078 -0.052 -10.207 1.00 0.00 N ATOM 1281 CA GLY A 83 8.238 -0.757 -11.516 1.00 0.00 C ATOM 1282 C GLY A 83 7.545 0.019 -12.643 1.00 0.00 C ATOM 1283 O GLY A 83 7.142 -0.548 -13.639 1.00 0.00 O ATOM 0 H GLY A 83 8.676 0.764 -10.077 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.298 -0.871 -11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.817 -1.760 -11.447 1.00 0.00 H new ATOM 1492 N LEU A 98 -3.584 -0.140 -11.232 1.00 0.00 N ATOM 1493 CA LEU A 98 -3.078 -1.254 -10.401 1.00 0.00 C ATOM 1494 C LEU A 98 -3.816 -1.266 -9.077 1.00 0.00 C ATOM 1495 O LEU A 98 -4.277 -2.290 -8.622 1.00 0.00 O ATOM 1496 CB LEU A 98 -1.599 -0.941 -10.199 1.00 0.00 C ATOM 1497 CG LEU A 98 -0.900 -0.930 -11.557 1.00 0.00 C ATOM 1498 CD1 LEU A 98 0.576 -0.585 -11.363 1.00 0.00 C ATOM 1499 CD2 LEU A 98 -1.025 -2.314 -12.201 1.00 0.00 C ATOM 0 HA LEU A 98 -3.223 -2.233 -10.858 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.483 0.025 -9.709 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.143 -1.686 -9.547 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.364 -0.186 -12.204 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.078 -0.576 -12.331 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.662 0.398 -10.901 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.042 -1.331 -10.719 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.527 -2.310 -13.171 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.558 -3.059 -11.556 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.079 -2.559 -12.335 1.00 0.00 H new ATOM 1511 N TYR A 99 -3.931 -0.123 -8.462 1.00 0.00 N ATOM 1512 CA TYR A 99 -4.637 -0.047 -7.160 1.00 0.00 C ATOM 1513 C TYR A 99 -5.673 1.085 -7.203 1.00 0.00 C ATOM 1514 O TYR A 99 -6.447 1.184 -8.131 1.00 0.00 O ATOM 1515 CB TYR A 99 -3.516 0.231 -6.148 1.00 0.00 C ATOM 1516 CG TYR A 99 -3.869 -0.302 -4.776 1.00 0.00 C ATOM 1517 CD1 TYR A 99 -5.196 -0.596 -4.450 1.00 0.00 C ATOM 1518 CD2 TYR A 99 -2.856 -0.486 -3.825 1.00 0.00 C ATOM 1519 CE1 TYR A 99 -5.512 -1.077 -3.170 1.00 0.00 C ATOM 1520 CE2 TYR A 99 -3.170 -0.964 -2.549 1.00 0.00 C ATOM 1521 CZ TYR A 99 -4.498 -1.260 -2.221 1.00 0.00 C ATOM 1522 OH TYR A 99 -4.807 -1.734 -0.963 1.00 0.00 O ATOM 0 H TYR A 99 -3.564 0.763 -8.809 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.190 -0.950 -6.903 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.590 -0.230 -6.492 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.335 1.304 -6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.977 -0.453 -5.182 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.831 -0.258 -4.078 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.537 -1.306 -2.917 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.388 -1.105 -1.817 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.778 -1.708 -0.833 1.00 0.00 H new ATOM 1532 N HIS A 100 -5.695 1.950 -6.225 1.00 0.00 N ATOM 1533 CA HIS A 100 -6.690 3.072 -6.269 1.00 0.00 C ATOM 1534 C HIS A 100 -6.019 4.335 -6.819 1.00 0.00 C ATOM 1535 O HIS A 100 -4.828 4.363 -7.049 1.00 0.00 O ATOM 1536 CB HIS A 100 -7.183 3.302 -4.832 1.00 0.00 C ATOM 1537 CG HIS A 100 -6.071 3.071 -3.857 1.00 0.00 C ATOM 1538 ND1 HIS A 100 -5.822 1.810 -3.302 1.00 0.00 N ATOM 1539 CD2 HIS A 100 -5.111 3.909 -3.347 1.00 0.00 C ATOM 1540 CE1 HIS A 100 -4.745 1.926 -2.503 1.00 0.00 C ATOM 1541 NE2 HIS A 100 -4.300 3.172 -2.517 1.00 0.00 N ATOM 0 H HIS A 100 -5.082 1.935 -5.410 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.529 2.829 -6.920 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.561 4.319 -4.729 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -8.013 2.630 -4.613 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -6.358 0.959 -3.472 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -5.010 4.963 -3.560 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -4.308 1.119 -1.933 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -3.494 3.525 -2.001 1.00 0.00 H new ATOM 1549 N SER A 101 -6.777 5.371 -7.046 1.00 0.00 N ATOM 1550 CA SER A 101 -6.184 6.625 -7.600 1.00 0.00 C ATOM 1551 C SER A 101 -5.214 7.272 -6.602 1.00 0.00 C ATOM 1552 O SER A 101 -4.411 8.108 -6.962 1.00 0.00 O ATOM 1553 CB SER A 101 -7.378 7.544 -7.853 1.00 0.00 C ATOM 1554 OG SER A 101 -6.977 8.894 -7.660 1.00 0.00 O ATOM 0 H SER A 101 -7.782 5.406 -6.873 1.00 0.00 H new ATOM 0 HA SER A 101 -5.607 6.431 -8.504 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.751 7.404 -8.868 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.195 7.294 -7.176 1.00 0.00 H new ATOM 0 HG SER A 101 -7.739 9.488 -7.823 1.00 0.00 H new ATOM 1560 N ALA A 102 -5.287 6.905 -5.353 1.00 0.00 N ATOM 1561 CA ALA A 102 -4.375 7.517 -4.342 1.00 0.00 C ATOM 1562 C ALA A 102 -3.006 6.842 -4.361 1.00 0.00 C ATOM 1563 O ALA A 102 -1.997 7.459 -4.086 1.00 0.00 O ATOM 1564 CB ALA A 102 -5.052 7.267 -2.996 1.00 0.00 C ATOM 0 H ALA A 102 -5.937 6.209 -4.987 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.211 8.576 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.441 7.689 -2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.034 7.739 -2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.164 6.194 -2.839 1.00 0.00 H new ATOM 1570 N GLU A 103 -2.959 5.577 -4.657 1.00 0.00 N ATOM 1571 CA GLU A 103 -1.655 4.868 -4.662 1.00 0.00 C ATOM 1572 C GLU A 103 -0.592 5.707 -5.383 1.00 0.00 C ATOM 1573 O GLU A 103 -0.791 6.151 -6.495 1.00 0.00 O ATOM 1574 CB GLU A 103 -1.926 3.549 -5.406 1.00 0.00 C ATOM 1575 CG GLU A 103 -1.639 3.714 -6.903 1.00 0.00 C ATOM 1576 CD GLU A 103 -2.153 2.493 -7.665 1.00 0.00 C ATOM 1577 OE1 GLU A 103 -1.615 1.419 -7.455 1.00 0.00 O ATOM 1578 OE2 GLU A 103 -3.075 2.653 -8.446 1.00 0.00 O ATOM 0 H GLU A 103 -3.768 5.003 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.272 4.691 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.301 2.756 -4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.963 3.247 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.120 4.617 -7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.568 3.832 -7.067 1.00 0.00 H new ATOM 1585 N LEU A 104 0.535 5.913 -4.767 1.00 0.00 N ATOM 1586 CA LEU A 104 1.605 6.707 -5.430 1.00 0.00 C ATOM 1587 C LEU A 104 2.532 5.770 -6.204 1.00 0.00 C ATOM 1588 O LEU A 104 2.626 4.597 -5.909 1.00 0.00 O ATOM 1589 CB LEU A 104 2.360 7.396 -4.295 1.00 0.00 C ATOM 1590 CG LEU A 104 1.795 8.803 -4.086 1.00 0.00 C ATOM 1591 CD1 LEU A 104 0.364 8.703 -3.557 1.00 0.00 C ATOM 1592 CD2 LEU A 104 2.663 9.556 -3.074 1.00 0.00 C ATOM 0 H LEU A 104 0.763 5.567 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 104 1.207 7.431 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.267 6.815 -3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.423 7.451 -4.531 1.00 0.00 H new ATOM 0 HG LEU A 104 1.795 9.340 -5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.040 9.704 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.254 8.167 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.364 8.166 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.261 10.558 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.663 9.020 -2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.683 9.627 -3.451 1.00 0.00 H new ATOM 1604 N HIS A 105 3.212 6.271 -7.194 1.00 0.00 N ATOM 1605 CA HIS A 105 4.129 5.399 -7.984 1.00 0.00 C ATOM 1606 C HIS A 105 5.587 5.725 -7.653 1.00 0.00 C ATOM 1607 O HIS A 105 5.952 6.868 -7.471 1.00 0.00 O ATOM 1608 CB HIS A 105 3.838 5.729 -9.444 1.00 0.00 C ATOM 1609 CG HIS A 105 2.391 5.471 -9.746 1.00 0.00 C ATOM 1610 ND1 HIS A 105 1.740 6.097 -10.796 1.00 0.00 N ATOM 1611 CD2 HIS A 105 1.458 4.655 -9.156 1.00 0.00 C ATOM 1612 CE1 HIS A 105 0.472 5.652 -10.809 1.00 0.00 C ATOM 1613 NE2 HIS A 105 0.245 4.770 -9.832 1.00 0.00 N ATOM 0 H HIS A 105 3.175 7.246 -7.492 1.00 0.00 H new ATOM 0 HA HIS A 105 3.976 4.343 -7.764 1.00 0.00 H new ATOM 0 HB2 HIS A 105 4.080 6.772 -9.646 1.00 0.00 H new ATOM 0 HB3 HIS A 105 4.468 5.124 -10.096 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.637 4.021 -8.300 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.273 5.969 -11.523 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -0.628 4.285 -9.625 1.00 0.00 H new ATOM 1621 N LEU A 106 6.425 4.729 -7.576 1.00 0.00 N ATOM 1622 CA LEU A 106 7.859 4.990 -7.259 1.00 0.00 C ATOM 1623 C LEU A 106 8.778 4.309 -8.275 1.00 0.00 C ATOM 1624 O LEU A 106 8.515 3.214 -8.732 1.00 0.00 O ATOM 1625 CB LEU A 106 8.073 4.398 -5.869 1.00 0.00 C ATOM 1626 CG LEU A 106 9.545 4.549 -5.479 1.00 0.00 C ATOM 1627 CD1 LEU A 106 9.934 6.030 -5.508 1.00 0.00 C ATOM 1628 CD2 LEU A 106 9.750 3.996 -4.067 1.00 0.00 C ATOM 0 H LEU A 106 6.181 3.749 -7.718 1.00 0.00 H new ATOM 0 HA LEU A 106 8.092 6.054 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.438 4.906 -5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.788 3.346 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 106 10.168 3.998 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.983 6.136 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.783 6.426 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.314 6.583 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.797 4.101 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.127 4.550 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.472 2.942 -4.045 1.00 0.00 H new ATOM 1640 N GLY A 107 9.856 4.953 -8.634 1.00 0.00 N ATOM 1641 CA GLY A 107 10.796 4.349 -9.620 1.00 0.00 C ATOM 1642 C GLY A 107 11.600 3.227 -8.957 1.00 0.00 C ATOM 1643 O GLY A 107 12.016 3.331 -7.818 1.00 0.00 O ATOM 0 H GLY A 107 10.126 5.873 -8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.240 3.955 -10.471 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.471 5.113 -10.006 1.00 0.00 H new ATOM 1647 N ILE A 108 11.820 2.158 -9.669 1.00 0.00 N ATOM 1648 CA ILE A 108 12.587 1.019 -9.117 1.00 0.00 C ATOM 1649 C ILE A 108 13.958 1.475 -8.601 1.00 0.00 C ATOM 1650 O ILE A 108 14.369 1.116 -7.514 1.00 0.00 O ATOM 1651 CB ILE A 108 12.731 0.106 -10.323 1.00 0.00 C ATOM 1652 CG1 ILE A 108 11.351 -0.417 -10.724 1.00 0.00 C ATOM 1653 CG2 ILE A 108 13.644 -1.056 -9.985 1.00 0.00 C ATOM 1654 CD1 ILE A 108 10.867 -1.423 -9.683 1.00 0.00 C ATOM 0 H ILE A 108 11.493 2.028 -10.626 1.00 0.00 H new ATOM 0 HA ILE A 108 12.104 0.541 -8.265 1.00 0.00 H new ATOM 0 HB ILE A 108 13.165 0.664 -11.153 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.645 0.410 -10.802 1.00 0.00 H new ATOM 0 HG13 ILE A 108 11.400 -0.888 -11.706 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.742 -1.706 -10.854 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.626 -0.677 -9.702 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.221 -1.622 -9.155 1.00 0.00 H new ATOM 0 HD11 ILE A 108 9.883 -1.796 -9.968 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.569 -2.255 -9.627 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.803 -0.937 -8.710 1.00 0.00 H new ATOM 1666 N HIS A 109 14.658 2.271 -9.360 1.00 0.00 N ATOM 1667 CA HIS A 109 15.987 2.760 -8.892 1.00 0.00 C ATOM 1668 C HIS A 109 15.783 3.913 -7.912 1.00 0.00 C ATOM 1669 O HIS A 109 16.726 4.486 -7.400 1.00 0.00 O ATOM 1670 CB HIS A 109 16.717 3.255 -10.142 1.00 0.00 C ATOM 1671 CG HIS A 109 18.026 3.881 -9.735 1.00 0.00 C ATOM 1672 ND1 HIS A 109 19.131 3.120 -9.381 1.00 0.00 N ATOM 1673 CD2 HIS A 109 18.422 5.192 -9.617 1.00 0.00 C ATOM 1674 CE1 HIS A 109 20.126 3.970 -9.070 1.00 0.00 C ATOM 1675 NE2 HIS A 109 19.747 5.245 -9.197 1.00 0.00 N ATOM 0 H HIS A 109 14.370 2.604 -10.280 1.00 0.00 H new ATOM 0 HA HIS A 109 16.555 1.981 -8.384 1.00 0.00 H new ATOM 0 HB2 HIS A 109 16.894 2.426 -10.827 1.00 0.00 H new ATOM 0 HB3 HIS A 109 16.102 3.982 -10.673 1.00 0.00 H new ATOM 0 HD2 HIS A 109 17.799 6.051 -9.820 1.00 0.00 H new ATOM 0 HE1 HIS A 109 21.112 3.660 -8.756 1.00 0.00 H new ATOM 0 HE2 HIS A 109 20.309 6.078 -9.023 1.00 0.00 H new ATOM 1683 N GLN A 110 14.553 4.269 -7.657 1.00 0.00 N ATOM 1684 CA GLN A 110 14.293 5.393 -6.722 1.00 0.00 C ATOM 1685 C GLN A 110 13.854 4.868 -5.355 1.00 0.00 C ATOM 1686 O GLN A 110 13.036 5.469 -4.684 1.00 0.00 O ATOM 1687 CB GLN A 110 13.183 6.206 -7.384 1.00 0.00 C ATOM 1688 CG GLN A 110 13.716 6.818 -8.683 1.00 0.00 C ATOM 1689 CD GLN A 110 12.726 7.862 -9.197 1.00 0.00 C ATOM 1690 OE1 GLN A 110 12.630 8.943 -8.652 1.00 0.00 O ATOM 1691 NE2 GLN A 110 11.983 7.588 -10.233 1.00 0.00 N ATOM 0 H GLN A 110 13.723 3.831 -8.055 1.00 0.00 H new ATOM 0 HA GLN A 110 15.183 5.996 -6.543 1.00 0.00 H new ATOM 0 HB2 GLN A 110 12.324 5.569 -7.593 1.00 0.00 H new ATOM 0 HB3 GLN A 110 12.840 6.992 -6.711 1.00 0.00 H new ATOM 0 HG2 GLN A 110 14.689 7.278 -8.509 1.00 0.00 H new ATOM 0 HG3 GLN A 110 13.861 6.039 -9.432 1.00 0.00 H new ATOM 0 HE21 GLN A 110 12.062 6.681 -10.692 1.00 0.00 H new ATOM 0 HE22 GLN A 110 11.322 8.281 -10.584 1.00 0.00 H new ATOM 1700 N LEU A 111 14.396 3.761 -4.924 1.00 0.00 N ATOM 1701 CA LEU A 111 14.008 3.232 -3.590 1.00 0.00 C ATOM 1702 C LEU A 111 14.670 4.093 -2.516 1.00 0.00 C ATOM 1703 O LEU A 111 15.844 3.966 -2.225 1.00 0.00 O ATOM 1704 CB LEU A 111 14.527 1.786 -3.532 1.00 0.00 C ATOM 1705 CG LEU A 111 13.601 0.803 -4.286 1.00 0.00 C ATOM 1706 CD1 LEU A 111 12.886 -0.092 -3.274 1.00 0.00 C ATOM 1707 CD2 LEU A 111 12.546 1.541 -5.120 1.00 0.00 C ATOM 0 H LEU A 111 15.084 3.206 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 111 12.931 3.254 -3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 111 15.527 1.743 -3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 111 14.614 1.474 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 111 14.221 0.212 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.232 -0.787 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.623 -0.653 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.292 0.524 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.916 0.815 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.930 2.157 -4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.042 2.176 -5.855 1.00 0.00 H new ATOM 1719 N GLU A 112 13.911 4.982 -1.953 1.00 0.00 N ATOM 1720 CA GLU A 112 14.435 5.901 -0.907 1.00 0.00 C ATOM 1721 C GLU A 112 13.390 6.988 -0.664 1.00 0.00 C ATOM 1722 O GLU A 112 13.307 7.567 0.401 1.00 0.00 O ATOM 1723 CB GLU A 112 15.729 6.504 -1.478 1.00 0.00 C ATOM 1724 CG GLU A 112 15.497 6.962 -2.918 1.00 0.00 C ATOM 1725 CD GLU A 112 16.843 7.135 -3.627 1.00 0.00 C ATOM 1726 OE1 GLU A 112 17.858 6.937 -2.981 1.00 0.00 O ATOM 1727 OE2 GLU A 112 16.835 7.464 -4.802 1.00 0.00 O ATOM 0 H GLU A 112 12.925 5.116 -2.178 1.00 0.00 H new ATOM 0 HA GLU A 112 14.636 5.399 0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 112 16.049 7.347 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.530 5.765 -1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 112 14.887 6.231 -3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.947 7.903 -2.927 1.00 0.00 H new ATOM 1734 N GLN A 113 12.579 7.252 -1.658 1.00 0.00 N ATOM 1735 CA GLN A 113 11.509 8.284 -1.518 1.00 0.00 C ATOM 1736 C GLN A 113 10.274 7.671 -0.849 1.00 0.00 C ATOM 1737 O GLN A 113 9.295 8.343 -0.610 1.00 0.00 O ATOM 1738 CB GLN A 113 11.185 8.703 -2.952 1.00 0.00 C ATOM 1739 CG GLN A 113 12.353 9.507 -3.527 1.00 0.00 C ATOM 1740 CD GLN A 113 12.165 9.672 -5.035 1.00 0.00 C ATOM 1741 OE1 GLN A 113 11.225 10.302 -5.475 1.00 0.00 O ATOM 1742 NE2 GLN A 113 13.026 9.127 -5.850 1.00 0.00 N ATOM 0 H GLN A 113 12.614 6.792 -2.568 1.00 0.00 H new ATOM 0 HA GLN A 113 11.820 9.128 -0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.999 7.822 -3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.274 9.302 -2.970 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.407 10.484 -3.047 1.00 0.00 H new ATOM 0 HG3 GLN A 113 13.295 8.999 -3.321 1.00 0.00 H new ATOM 0 HE21 GLN A 113 13.815 8.598 -5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 113 12.910 9.230 -6.858 1.00 0.00 H new ATOM 1751 N LEU A 114 10.312 6.399 -0.549 1.00 0.00 N ATOM 1752 CA LEU A 114 9.135 5.748 0.100 1.00 0.00 C ATOM 1753 C LEU A 114 8.644 6.539 1.322 1.00 0.00 C ATOM 1754 O LEU A 114 7.458 6.713 1.481 1.00 0.00 O ATOM 1755 CB LEU A 114 9.608 4.357 0.522 1.00 0.00 C ATOM 1756 CG LEU A 114 9.631 3.428 -0.696 1.00 0.00 C ATOM 1757 CD1 LEU A 114 11.055 3.341 -1.244 1.00 0.00 C ATOM 1758 CD2 LEU A 114 9.162 2.031 -0.283 1.00 0.00 C ATOM 0 H LEU A 114 11.106 5.783 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 114 8.292 5.704 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.603 4.419 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 114 8.945 3.953 1.287 1.00 0.00 H new ATOM 0 HG LEU A 114 8.967 3.823 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 114 11.072 2.680 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 114 11.393 4.335 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 114 11.718 2.946 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 114 9.179 1.371 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 114 9.826 1.637 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.147 2.089 0.109 1.00 0.00 H new ATOM 1770 N PRO A 115 9.545 6.985 2.168 1.00 0.00 N ATOM 1771 CA PRO A 115 9.109 7.739 3.373 1.00 0.00 C ATOM 1772 C PRO A 115 8.441 9.040 2.940 1.00 0.00 C ATOM 1773 O PRO A 115 7.331 9.344 3.336 1.00 0.00 O ATOM 1774 CB PRO A 115 10.404 7.974 4.144 1.00 0.00 C ATOM 1775 CG PRO A 115 11.475 7.885 3.109 1.00 0.00 C ATOM 1776 CD PRO A 115 11.006 6.862 2.107 1.00 0.00 C ATOM 0 HA PRO A 115 8.375 7.218 3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 115 10.404 8.948 4.633 1.00 0.00 H new ATOM 0 HB3 PRO A 115 10.543 7.226 4.925 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.637 8.852 2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 115 12.424 7.587 3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.387 7.072 1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.338 5.858 2.370 1.00 0.00 H new ATOM 1784 N TYR A 116 9.086 9.790 2.097 1.00 0.00 N ATOM 1785 CA TYR A 116 8.459 11.042 1.608 1.00 0.00 C ATOM 1786 C TYR A 116 7.252 10.665 0.733 1.00 0.00 C ATOM 1787 O TYR A 116 6.246 11.345 0.713 1.00 0.00 O ATOM 1788 CB TYR A 116 9.580 11.768 0.836 1.00 0.00 C ATOM 1789 CG TYR A 116 9.202 11.980 -0.609 1.00 0.00 C ATOM 1790 CD1 TYR A 116 8.121 12.802 -0.934 1.00 0.00 C ATOM 1791 CD2 TYR A 116 9.938 11.354 -1.622 1.00 0.00 C ATOM 1792 CE1 TYR A 116 7.774 13.001 -2.274 1.00 0.00 C ATOM 1793 CE2 TYR A 116 9.593 11.551 -2.961 1.00 0.00 C ATOM 1794 CZ TYR A 116 8.509 12.375 -3.290 1.00 0.00 C ATOM 1795 OH TYR A 116 8.163 12.572 -4.611 1.00 0.00 O ATOM 0 H TYR A 116 10.016 9.591 1.727 1.00 0.00 H new ATOM 0 HA TYR A 116 8.074 11.696 2.390 1.00 0.00 H new ATOM 0 HB2 TYR A 116 9.784 12.730 1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.499 11.185 0.892 1.00 0.00 H new ATOM 0 HD1 TYR A 116 7.554 13.284 -0.151 1.00 0.00 H new ATOM 0 HD2 TYR A 116 10.773 10.718 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 116 6.939 13.638 -2.526 1.00 0.00 H new ATOM 0 HE2 TYR A 116 10.162 11.068 -3.742 1.00 0.00 H new ATOM 0 HH TYR A 116 8.774 12.067 -5.188 1.00 0.00 H new ATOM 1805 N GLN A 117 7.337 9.554 0.043 1.00 0.00 N ATOM 1806 CA GLN A 117 6.187 9.096 -0.793 1.00 0.00 C ATOM 1807 C GLN A 117 5.078 8.613 0.132 1.00 0.00 C ATOM 1808 O GLN A 117 3.910 8.843 -0.095 1.00 0.00 O ATOM 1809 CB GLN A 117 6.723 7.930 -1.624 1.00 0.00 C ATOM 1810 CG GLN A 117 7.748 8.446 -2.635 1.00 0.00 C ATOM 1811 CD GLN A 117 7.120 8.508 -4.025 1.00 0.00 C ATOM 1812 OE1 GLN A 117 6.719 7.500 -4.568 1.00 0.00 O ATOM 1813 NE2 GLN A 117 7.015 9.659 -4.628 1.00 0.00 N ATOM 0 H GLN A 117 8.155 8.945 0.024 1.00 0.00 H new ATOM 0 HA GLN A 117 5.787 9.885 -1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.183 7.187 -0.972 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.903 7.434 -2.144 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.097 9.435 -2.340 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.620 7.792 -2.649 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.352 10.507 -4.171 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.596 9.712 -5.556 1.00 0.00 H new ATOM 1822 N VAL A 118 5.456 7.945 1.183 1.00 0.00 N ATOM 1823 CA VAL A 118 4.459 7.438 2.158 1.00 0.00 C ATOM 1824 C VAL A 118 3.711 8.624 2.763 1.00 0.00 C ATOM 1825 O VAL A 118 2.500 8.690 2.724 1.00 0.00 O ATOM 1826 CB VAL A 118 5.302 6.695 3.207 1.00 0.00 C ATOM 1827 CG1 VAL A 118 4.632 6.757 4.583 1.00 0.00 C ATOM 1828 CG2 VAL A 118 5.443 5.230 2.783 1.00 0.00 C ATOM 0 H VAL A 118 6.426 7.727 1.409 1.00 0.00 H new ATOM 0 HA VAL A 118 3.705 6.782 1.723 1.00 0.00 H new ATOM 0 HB VAL A 118 6.281 7.169 3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.245 6.225 5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.526 7.798 4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 118 3.647 6.292 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 118 6.040 4.694 3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.455 4.774 2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 118 5.935 5.178 1.812 1.00 0.00 H new ATOM 1838 N ASP A 119 4.419 9.582 3.291 1.00 0.00 N ATOM 1839 CA ASP A 119 3.727 10.767 3.859 1.00 0.00 C ATOM 1840 C ASP A 119 2.835 11.368 2.773 1.00 0.00 C ATOM 1841 O ASP A 119 1.730 11.805 3.022 1.00 0.00 O ATOM 1842 CB ASP A 119 4.844 11.738 4.238 1.00 0.00 C ATOM 1843 CG ASP A 119 5.606 11.202 5.450 1.00 0.00 C ATOM 1844 OD1 ASP A 119 4.998 10.515 6.255 1.00 0.00 O ATOM 1845 OD2 ASP A 119 6.788 11.488 5.553 1.00 0.00 O ATOM 0 H ASP A 119 5.437 9.595 3.353 1.00 0.00 H new ATOM 0 HA ASP A 119 3.102 10.532 4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.525 11.869 3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.425 12.718 4.465 1.00 0.00 H new ATOM 1850 N ALA A 120 3.316 11.367 1.556 1.00 0.00 N ATOM 1851 CA ALA A 120 2.513 11.902 0.423 1.00 0.00 C ATOM 1852 C ALA A 120 1.366 10.939 0.130 1.00 0.00 C ATOM 1853 O ALA A 120 0.232 11.333 -0.054 1.00 0.00 O ATOM 1854 CB ALA A 120 3.486 11.949 -0.757 1.00 0.00 C ATOM 0 H ALA A 120 4.238 11.015 1.300 1.00 0.00 H new ATOM 0 HA ALA A 120 2.081 12.881 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.972 12.334 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.324 12.602 -0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.857 10.945 -0.963 1.00 0.00 H new ATOM 1860 N ALA A 121 1.661 9.667 0.100 1.00 0.00 N ATOM 1861 CA ALA A 121 0.603 8.657 -0.157 1.00 0.00 C ATOM 1862 C ALA A 121 -0.433 8.732 0.962 1.00 0.00 C ATOM 1863 O ALA A 121 -1.626 8.684 0.732 1.00 0.00 O ATOM 1864 CB ALA A 121 1.338 7.315 -0.135 1.00 0.00 C ATOM 0 H ALA A 121 2.596 9.285 0.244 1.00 0.00 H new ATOM 0 HA ALA A 121 0.077 8.808 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.628 6.508 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.104 7.307 -0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.807 7.173 0.839 1.00 0.00 H new ATOM 1870 N LEU A 122 0.024 8.869 2.176 1.00 0.00 N ATOM 1871 CA LEU A 122 -0.918 8.964 3.319 1.00 0.00 C ATOM 1872 C LEU A 122 -1.892 10.117 3.097 1.00 0.00 C ATOM 1873 O LEU A 122 -3.087 9.947 3.179 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.033 9.240 4.540 1.00 0.00 C ATOM 1875 CG LEU A 122 0.774 7.991 4.891 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.770 8.317 6.008 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.179 6.897 5.363 1.00 0.00 C ATOM 0 H LEU A 122 1.012 8.919 2.423 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.513 8.059 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.640 10.072 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.651 9.535 5.388 1.00 0.00 H new ATOM 0 HG LEU A 122 1.320 7.650 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.344 7.424 6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.448 9.103 5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.228 8.657 6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.390 6.002 5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.722 7.242 6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -0.888 6.664 4.568 1.00 0.00 H new ATOM 1889 N ALA A 123 -1.401 11.288 2.807 1.00 0.00 N ATOM 1890 CA ALA A 123 -2.332 12.427 2.578 1.00 0.00 C ATOM 1891 C ALA A 123 -3.129 12.191 1.297 1.00 0.00 C ATOM 1892 O ALA A 123 -4.326 12.396 1.250 1.00 0.00 O ATOM 1893 CB ALA A 123 -1.441 13.655 2.445 1.00 0.00 C ATOM 0 H ALA A 123 -0.408 11.505 2.719 1.00 0.00 H new ATOM 0 HA ALA A 123 -3.053 12.546 3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -2.059 14.536 2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.865 13.788 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.760 13.521 1.605 1.00 0.00 H new ATOM 1899 N GLU A 124 -2.475 11.744 0.261 1.00 0.00 N ATOM 1900 CA GLU A 124 -3.195 11.474 -1.010 1.00 0.00 C ATOM 1901 C GLU A 124 -4.310 10.465 -0.737 1.00 0.00 C ATOM 1902 O GLU A 124 -5.407 10.591 -1.239 1.00 0.00 O ATOM 1903 CB GLU A 124 -2.130 10.886 -1.946 1.00 0.00 C ATOM 1904 CG GLU A 124 -2.657 10.825 -3.386 1.00 0.00 C ATOM 1905 CD GLU A 124 -2.663 12.228 -4.000 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -1.589 12.727 -4.299 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -3.741 12.775 -4.167 1.00 0.00 O ATOM 0 H GLU A 124 -1.473 11.555 0.242 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.657 12.360 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.227 11.496 -1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -1.854 9.886 -1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.033 10.160 -3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.665 10.410 -3.396 1.00 0.00 H new ATOM 1914 N PHE A 125 -4.054 9.470 0.078 1.00 0.00 N ATOM 1915 CA PHE A 125 -5.133 8.491 0.378 1.00 0.00 C ATOM 1916 C PHE A 125 -6.225 9.158 1.221 1.00 0.00 C ATOM 1917 O PHE A 125 -7.401 8.942 1.006 1.00 0.00 O ATOM 1918 CB PHE A 125 -4.465 7.361 1.160 1.00 0.00 C ATOM 1919 CG PHE A 125 -5.510 6.323 1.485 1.00 0.00 C ATOM 1920 CD1 PHE A 125 -6.355 6.504 2.587 1.00 0.00 C ATOM 1921 CD2 PHE A 125 -5.651 5.193 0.674 1.00 0.00 C ATOM 1922 CE1 PHE A 125 -7.338 5.551 2.878 1.00 0.00 C ATOM 1923 CE2 PHE A 125 -6.635 4.242 0.962 1.00 0.00 C ATOM 1924 CZ PHE A 125 -7.479 4.421 2.065 1.00 0.00 C ATOM 0 H PHE A 125 -3.160 9.299 0.539 1.00 0.00 H new ATOM 0 HA PHE A 125 -5.608 8.118 -0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.660 6.918 0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -4.017 7.747 2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -6.248 7.378 3.212 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -4.999 5.054 -0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -7.988 5.688 3.730 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.744 3.370 0.334 1.00 0.00 H new ATOM 0 HZ PHE A 125 -8.239 3.687 2.288 1.00 0.00 H new ATOM 1934 N LEU A 126 -5.848 9.962 2.182 1.00 0.00 N ATOM 1935 CA LEU A 126 -6.872 10.635 3.036 1.00 0.00 C ATOM 1936 C LEU A 126 -7.689 11.642 2.216 1.00 0.00 C ATOM 1937 O LEU A 126 -8.894 11.709 2.330 1.00 0.00 O ATOM 1938 CB LEU A 126 -6.074 11.359 4.123 1.00 0.00 C ATOM 1939 CG LEU A 126 -5.366 10.334 5.009 1.00 0.00 C ATOM 1940 CD1 LEU A 126 -4.668 11.050 6.167 1.00 0.00 C ATOM 1941 CD2 LEU A 126 -6.388 9.340 5.561 1.00 0.00 C ATOM 0 H LEU A 126 -4.879 10.181 2.412 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.582 9.921 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.343 12.027 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.739 11.977 4.726 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.624 9.798 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.164 10.317 6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.935 11.753 5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.407 11.590 6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.881 8.610 6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.133 9.874 6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.879 8.826 4.735 1.00 0.00 H new ATOM 1953 N ARG A 127 -7.045 12.430 1.399 1.00 0.00 N ATOM 1954 CA ARG A 127 -7.795 13.432 0.586 1.00 0.00 C ATOM 1955 C ARG A 127 -8.752 12.743 -0.385 1.00 0.00 C ATOM 1956 O ARG A 127 -9.806 13.256 -0.702 1.00 0.00 O ATOM 1957 CB ARG A 127 -6.732 14.198 -0.201 1.00 0.00 C ATOM 1958 CG ARG A 127 -7.419 15.279 -1.037 1.00 0.00 C ATOM 1959 CD ARG A 127 -6.368 16.050 -1.834 1.00 0.00 C ATOM 1960 NE ARG A 127 -7.141 17.088 -2.576 1.00 0.00 N ATOM 1961 CZ ARG A 127 -6.680 17.577 -3.697 1.00 0.00 C ATOM 1962 NH1 ARG A 127 -5.527 17.181 -4.167 1.00 0.00 N ATOM 1963 NH2 ARG A 127 -7.373 18.470 -4.349 1.00 0.00 N ATOM 0 H ARG A 127 -6.035 12.424 1.259 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.395 14.084 1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.011 14.650 0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.177 13.517 -0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -8.143 14.825 -1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.971 15.960 -0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -5.626 16.503 -1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -5.829 15.394 -2.517 1.00 0.00 H new ATOM 0 HE ARG A 127 -8.033 17.417 -2.207 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -4.981 16.486 -3.658 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -5.173 17.567 -5.042 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -8.272 18.785 -3.984 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -7.016 18.853 -5.224 1.00 0.00 H new ATOM 1977 N LEU A 128 -8.379 11.603 -0.881 1.00 0.00 N ATOM 1978 CA LEU A 128 -9.252 10.897 -1.855 1.00 0.00 C ATOM 1979 C LEU A 128 -10.074 9.801 -1.171 1.00 0.00 C ATOM 1980 O LEU A 128 -10.918 9.178 -1.783 1.00 0.00 O ATOM 1981 CB LEU A 128 -8.272 10.317 -2.875 1.00 0.00 C ATOM 1982 CG LEU A 128 -9.046 9.824 -4.092 1.00 0.00 C ATOM 1983 CD1 LEU A 128 -9.657 11.022 -4.815 1.00 0.00 C ATOM 1984 CD2 LEU A 128 -8.108 9.076 -5.039 1.00 0.00 C ATOM 0 H LEU A 128 -7.506 11.127 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.987 11.556 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -7.548 11.075 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -7.709 9.496 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.836 9.146 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -10.212 10.676 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -10.332 11.549 -4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -8.864 11.698 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -8.669 8.727 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -7.312 9.745 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -7.673 8.222 -4.520 1.00 0.00 H new ATOM 1996 N ALA A 129 -9.830 9.544 0.084 1.00 0.00 N ATOM 1997 CA ALA A 129 -10.589 8.469 0.789 1.00 0.00 C ATOM 1998 C ALA A 129 -12.058 8.864 1.014 1.00 0.00 C ATOM 1999 O ALA A 129 -12.338 9.953 1.476 1.00 0.00 O ATOM 2000 CB ALA A 129 -9.886 8.308 2.131 1.00 0.00 C ATOM 0 H ALA A 129 -9.138 10.031 0.653 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.604 7.550 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.385 7.533 2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.846 8.025 1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.923 9.251 2.676 1.00 0.00 H new ATOM 2006 N PRO A 130 -12.957 7.950 0.711 1.00 0.00 N ATOM 2007 CA PRO A 130 -12.578 6.623 0.150 1.00 0.00 C ATOM 2008 C PRO A 130 -12.209 6.765 -1.340 1.00 0.00 C ATOM 2009 O PRO A 130 -13.042 7.083 -2.165 1.00 0.00 O ATOM 2010 CB PRO A 130 -13.841 5.784 0.330 1.00 0.00 C ATOM 2011 CG PRO A 130 -14.964 6.770 0.376 1.00 0.00 C ATOM 2012 CD PRO A 130 -14.409 8.072 0.892 1.00 0.00 C ATOM 0 HA PRO A 130 -11.711 6.177 0.636 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -13.968 5.081 -0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -13.796 5.196 1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -15.396 6.905 -0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -15.762 6.410 1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -14.808 8.921 0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -14.667 8.226 1.940 1.00 0.00 H new ATOM 2020 N VAL A 131 -10.966 6.537 -1.683 1.00 0.00 N ATOM 2021 CA VAL A 131 -10.529 6.668 -3.108 1.00 0.00 C ATOM 2022 C VAL A 131 -11.283 5.686 -4.008 1.00 0.00 C ATOM 2023 O VAL A 131 -11.889 4.744 -3.541 1.00 0.00 O ATOM 2024 CB VAL A 131 -9.039 6.319 -3.093 1.00 0.00 C ATOM 2025 CG1 VAL A 131 -8.283 7.265 -2.164 1.00 0.00 C ATOM 2026 CG2 VAL A 131 -8.872 4.892 -2.586 1.00 0.00 C ATOM 0 H VAL A 131 -10.229 6.264 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 131 -10.726 7.666 -3.498 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.639 6.415 -4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.224 7.005 -2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.405 8.291 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -8.679 7.176 -1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.813 4.633 -2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -9.279 4.814 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -9.404 4.207 -3.246 1.00 0.00 H new ATOM 2036 N GLU A 132 -11.238 5.896 -5.301 1.00 0.00 N ATOM 2037 CA GLU A 132 -11.945 4.961 -6.225 1.00 0.00 C ATOM 2038 C GLU A 132 -11.054 3.756 -6.527 1.00 0.00 C ATOM 2039 O GLU A 132 -10.001 3.880 -7.123 1.00 0.00 O ATOM 2040 CB GLU A 132 -12.206 5.752 -7.511 1.00 0.00 C ATOM 2041 CG GLU A 132 -12.942 7.055 -7.189 1.00 0.00 C ATOM 2042 CD GLU A 132 -13.423 7.702 -8.492 1.00 0.00 C ATOM 2043 OE1 GLU A 132 -12.661 7.702 -9.450 1.00 0.00 O ATOM 2044 OE2 GLU A 132 -14.541 8.184 -8.511 1.00 0.00 O ATOM 0 H GLU A 132 -10.746 6.668 -5.752 1.00 0.00 H new ATOM 0 HA GLU A 132 -12.872 4.590 -5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -11.262 5.972 -8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.798 5.152 -8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.790 6.854 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -12.281 7.737 -6.654 1.00 0.00 H new ATOM 2051 N THR A 133 -11.471 2.590 -6.124 1.00 0.00 N ATOM 2052 CA THR A 133 -10.654 1.371 -6.390 1.00 0.00 C ATOM 2053 C THR A 133 -11.255 0.584 -7.559 1.00 0.00 C ATOM 2054 O THR A 133 -12.455 0.444 -7.674 1.00 0.00 O ATOM 2055 CB THR A 133 -10.724 0.551 -5.097 1.00 0.00 C ATOM 2056 OG1 THR A 133 -11.951 0.821 -4.430 1.00 0.00 O ATOM 2057 CG2 THR A 133 -9.542 0.905 -4.187 1.00 0.00 C ATOM 0 H THR A 133 -12.343 2.426 -5.621 1.00 0.00 H new ATOM 0 HA THR A 133 -9.626 1.612 -6.660 1.00 0.00 H new ATOM 0 HB THR A 133 -10.673 -0.510 -5.340 1.00 0.00 H new ATOM 0 HG1 THR A 133 -11.997 0.296 -3.604 1.00 0.00 H new ATOM 0 HG21 THR A 133 -9.600 0.318 -3.271 1.00 0.00 H new ATOM 0 HG22 THR A 133 -8.607 0.683 -4.702 1.00 0.00 H new ATOM 0 HG23 THR A 133 -9.578 1.966 -3.941 1.00 0.00 H new ATOM 2065 N MET A 134 -10.428 0.067 -8.426 1.00 0.00 N ATOM 2066 CA MET A 134 -10.953 -0.713 -9.583 1.00 0.00 C ATOM 2067 C MET A 134 -11.725 -1.932 -9.082 1.00 0.00 C ATOM 2068 O MET A 134 -12.700 -2.352 -9.672 1.00 0.00 O ATOM 2069 CB MET A 134 -9.715 -1.150 -10.366 1.00 0.00 C ATOM 2070 CG MET A 134 -9.026 0.079 -10.952 1.00 0.00 C ATOM 2071 SD MET A 134 -8.388 -0.316 -12.599 1.00 0.00 S ATOM 2072 CE MET A 134 -9.762 0.381 -13.555 1.00 0.00 C ATOM 0 H MET A 134 -9.412 0.151 -8.384 1.00 0.00 H new ATOM 0 HA MET A 134 -11.637 -0.129 -10.199 1.00 0.00 H new ATOM 0 HB2 MET A 134 -9.029 -1.688 -9.712 1.00 0.00 H new ATOM 0 HB3 MET A 134 -9.999 -1.836 -11.164 1.00 0.00 H new ATOM 0 HG2 MET A 134 -9.729 0.910 -11.012 1.00 0.00 H new ATOM 0 HG3 MET A 134 -8.212 0.398 -10.301 1.00 0.00 H new ATOM 0 HE1 MET A 134 -9.571 0.243 -14.619 1.00 0.00 H new ATOM 0 HE2 MET A 134 -10.688 -0.126 -13.284 1.00 0.00 H new ATOM 0 HE3 MET A 134 -9.854 1.445 -13.337 1.00 0.00 H new ATOM 2082 N ALA A 135 -11.292 -2.501 -7.996 1.00 0.00 N ATOM 2083 CA ALA A 135 -11.991 -3.693 -7.447 1.00 0.00 C ATOM 2084 C ALA A 135 -12.440 -3.414 -6.011 1.00 0.00 C ATOM 2085 O ALA A 135 -12.275 -4.291 -5.181 1.00 0.00 O ATOM 2086 CB ALA A 135 -10.947 -4.809 -7.482 1.00 0.00 C ATOM 2087 OXT ALA A 135 -12.935 -2.325 -5.765 1.00 0.00 O ATOM 0 H ALA A 135 -10.480 -2.191 -7.462 1.00 0.00 H new ATOM 0 HA ALA A 135 -12.884 -3.957 -8.014 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -11.384 -5.728 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -10.621 -4.970 -8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -10.091 -4.526 -6.870 1.00 0.00 H new