USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 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 NoAdj-H: A1148 2MR HXT : A1148 2MR OXT : A1148 2MR C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot -165:sc= 0.984 USER MOD Set 1.2: A 136 GLN : amide:sc= -0.0617 K(o=0.92,f=-2.2!) USER MOD Set 2.1: A 112 THR OG1 : rot 67:sc= 0.215 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0.26 USER MOD Single : A 84 ASN : amide:sc= -0.0333 X(o=-0.033,f=-0.43) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0432 USER MOD Single : A 88 SER OG : rot -44:sc= 1.34 USER MOD Single : A 90 GLN : amide:sc= -2.24 K(o=-2.2,f=-8.3!) USER MOD Single : A 91 GLN : amide:sc= -1.35 K(o=-1.4,f=-2.7!) USER MOD Single : A 93 LYS NZ :NH3+ 158:sc= 0.826 (180deg=0.0886!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -16:sc= 1.1 USER MOD Single : A 99 SER OG : rot 136:sc= -0.804 USER MOD Single : A 103 SER OG : rot 145:sc= 0.864 USER MOD Single : A 107 CYS SG : rot 122:sc= 1.15 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 146:sc= 1.07 (180deg=0.364) USER MOD Single : A 122 THR OG1 : rot 162:sc= 1.21 USER MOD Single : A 123 CYS SG : rot -16:sc= -4.31! USER MOD Single : A 130 TYR OH : rot -121:sc= 0.0123 USER MOD Single : A 132 ASN : amide:sc= -2.36! X(o=-2.4!,f=-2) USER MOD Single : A 137 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.66) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -15.270 -7.436 -1.693 1.00 0.00 N ATOM 2 CA ASN A 84 -16.467 -7.965 -1.028 1.00 0.00 C ATOM 3 C ASN A 84 -17.134 -9.059 -1.857 1.00 0.00 C ATOM 4 O ASN A 84 -16.868 -10.237 -1.659 1.00 0.00 O ATOM 5 CB ASN A 84 -17.478 -6.847 -0.690 1.00 0.00 C ATOM 6 CG ASN A 84 -18.733 -7.372 0.011 1.00 0.00 C ATOM 7 OD1 ASN A 84 -18.689 -8.361 0.734 1.00 0.00 O ATOM 8 ND2 ASN A 84 -19.851 -6.718 -0.205 1.00 0.00 N ATOM 0 HA ASN A 84 -16.134 -8.408 -0.090 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.994 -6.107 -0.052 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -17.768 -6.336 -1.608 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -20.717 -7.029 0.235 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -19.853 -5.898 -0.812 1.00 0.00 H new ATOM 17 N THR A 85 -17.938 -8.678 -2.825 1.00 0.00 N ATOM 18 CA THR A 85 -18.689 -9.631 -3.605 1.00 0.00 C ATOM 19 C THR A 85 -17.915 -10.130 -4.808 1.00 0.00 C ATOM 20 O THR A 85 -18.253 -11.149 -5.409 1.00 0.00 O ATOM 21 CB THR A 85 -20.039 -9.027 -4.007 1.00 0.00 C ATOM 22 OG1 THR A 85 -19.834 -7.649 -4.391 1.00 0.00 O ATOM 23 CG2 THR A 85 -21.026 -9.087 -2.847 1.00 0.00 C ATOM 0 H THR A 85 -18.088 -7.705 -3.091 1.00 0.00 H new ATOM 0 HA THR A 85 -18.871 -10.507 -2.982 1.00 0.00 H new ATOM 0 HB THR A 85 -20.451 -9.598 -4.839 1.00 0.00 H new ATOM 0 HG1 THR A 85 -20.691 -7.251 -4.652 1.00 0.00 H new ATOM 0 HG21 THR A 85 -21.977 -8.653 -3.156 1.00 0.00 H new ATOM 0 HG22 THR A 85 -21.180 -10.125 -2.553 1.00 0.00 H new ATOM 0 HG23 THR A 85 -20.628 -8.526 -2.001 1.00 0.00 H new ATOM 31 N ALA A 86 -16.859 -9.444 -5.089 1.00 0.00 N ATOM 32 CA ALA A 86 -15.997 -9.709 -6.191 1.00 0.00 C ATOM 33 C ALA A 86 -14.771 -8.878 -6.029 1.00 0.00 C ATOM 34 O ALA A 86 -14.798 -7.654 -6.213 1.00 0.00 O ATOM 35 CB ALA A 86 -16.649 -9.410 -7.511 1.00 0.00 C ATOM 0 H ALA A 86 -16.559 -8.645 -4.530 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.753 -10.771 -6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -15.951 -9.628 -8.319 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -17.540 -10.027 -7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.929 -8.357 -7.548 1.00 0.00 H new ATOM 41 N ALA A 87 -13.753 -9.550 -5.605 1.00 0.00 N ATOM 42 CA ALA A 87 -12.411 -9.019 -5.348 1.00 0.00 C ATOM 43 C ALA A 87 -12.372 -8.244 -4.040 1.00 0.00 C ATOM 44 O ALA A 87 -12.959 -7.171 -3.904 1.00 0.00 O ATOM 45 CB ALA A 87 -11.862 -8.199 -6.519 1.00 0.00 C ATOM 0 H ALA A 87 -13.816 -10.549 -5.410 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.744 -9.876 -5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.866 -7.832 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.806 -8.827 -7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.522 -7.354 -6.712 1.00 0.00 H new ATOM 51 N SER A 88 -11.710 -8.797 -3.068 1.00 0.00 N ATOM 52 CA SER A 88 -11.651 -8.182 -1.772 1.00 0.00 C ATOM 53 C SER A 88 -10.274 -7.605 -1.467 1.00 0.00 C ATOM 54 O SER A 88 -9.975 -7.218 -0.343 1.00 0.00 O ATOM 55 CB SER A 88 -12.139 -9.150 -0.710 1.00 0.00 C ATOM 56 OG SER A 88 -13.482 -9.551 -0.998 1.00 0.00 O ATOM 0 H SER A 88 -11.200 -9.677 -3.147 1.00 0.00 H new ATOM 0 HA SER A 88 -12.325 -7.325 -1.769 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.489 -10.024 -0.675 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.093 -8.680 0.272 1.00 0.00 H new ATOM 0 HG SER A 88 -14.010 -8.766 -1.254 1.00 0.00 H new ATOM 62 N LEU A 89 -9.469 -7.500 -2.493 1.00 0.00 N ATOM 63 CA LEU A 89 -8.159 -6.860 -2.388 1.00 0.00 C ATOM 64 C LEU A 89 -8.351 -5.402 -2.817 1.00 0.00 C ATOM 65 O LEU A 89 -7.460 -4.595 -2.830 1.00 0.00 O ATOM 66 CB LEU A 89 -7.150 -7.622 -3.279 1.00 0.00 C ATOM 67 CG LEU A 89 -5.641 -7.444 -3.014 1.00 0.00 C ATOM 68 CD1 LEU A 89 -4.899 -8.571 -3.665 1.00 0.00 C ATOM 69 CD2 LEU A 89 -5.111 -6.147 -3.570 1.00 0.00 C ATOM 0 H LEU A 89 -9.690 -7.850 -3.425 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.756 -6.883 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.376 -8.685 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.340 -7.334 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.495 -7.436 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.830 -8.456 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.237 -9.519 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.089 -8.560 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.045 -6.069 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.269 -6.122 -4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.635 -5.311 -3.107 1.00 0.00 H new ATOM 81 N GLN A 90 -9.576 -5.088 -3.107 1.00 0.00 N ATOM 82 CA GLN A 90 -9.951 -3.760 -3.536 1.00 0.00 C ATOM 83 C GLN A 90 -10.363 -2.929 -2.335 1.00 0.00 C ATOM 84 O GLN A 90 -10.650 -1.740 -2.448 1.00 0.00 O ATOM 85 CB GLN A 90 -11.101 -3.833 -4.542 1.00 0.00 C ATOM 86 CG GLN A 90 -10.844 -4.738 -5.751 1.00 0.00 C ATOM 87 CD GLN A 90 -9.655 -4.327 -6.615 1.00 0.00 C ATOM 88 OE1 GLN A 90 -8.664 -3.775 -6.143 1.00 0.00 O ATOM 89 NE2 GLN A 90 -9.751 -4.582 -7.883 1.00 0.00 N ATOM 0 H GLN A 90 -10.355 -5.745 -3.055 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.094 -3.290 -4.019 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.994 -4.186 -4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.316 -2.826 -4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.684 -5.757 -5.397 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -11.739 -4.753 -6.373 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.585 -5.041 -8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.993 -4.323 -8.514 1.00 0.00 H new ATOM 98 N GLN A 91 -10.377 -3.565 -1.183 1.00 0.00 N ATOM 99 CA GLN A 91 -10.765 -2.925 0.036 1.00 0.00 C ATOM 100 C GLN A 91 -9.784 -3.297 1.126 1.00 0.00 C ATOM 101 O GLN A 91 -9.361 -4.452 1.232 1.00 0.00 O ATOM 102 CB GLN A 91 -12.202 -3.289 0.412 1.00 0.00 C ATOM 103 CG GLN A 91 -12.443 -4.772 0.632 1.00 0.00 C ATOM 104 CD GLN A 91 -13.900 -5.110 0.852 1.00 0.00 C ATOM 105 OE1 GLN A 91 -14.339 -6.202 0.520 1.00 0.00 O ATOM 106 NE2 GLN A 91 -14.663 -4.194 1.393 1.00 0.00 N ATOM 0 H GLN A 91 -10.117 -4.545 -1.075 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.742 -1.843 -0.097 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.473 -2.752 1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.869 -2.939 -0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.074 -5.326 -0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.865 -5.104 1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -14.267 -3.293 1.659 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.653 -4.382 1.548 1.00 0.00 H new ATOM 115 N TRP A 92 -9.397 -2.321 1.893 1.00 0.00 N ATOM 116 CA TRP A 92 -8.396 -2.461 2.935 1.00 0.00 C ATOM 117 C TRP A 92 -8.815 -1.623 4.115 1.00 0.00 C ATOM 118 O TRP A 92 -9.736 -0.808 3.979 1.00 0.00 O ATOM 119 CB TRP A 92 -7.041 -1.970 2.441 1.00 0.00 C ATOM 120 CG TRP A 92 -6.469 -2.731 1.293 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.762 -2.561 -0.023 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.481 -3.760 1.353 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.047 -3.433 -0.779 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.241 -4.176 0.037 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.778 -4.376 2.395 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.332 -5.170 -0.270 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.871 -5.364 2.080 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.656 -5.748 0.759 1.00 0.00 C ATOM 0 H TRP A 92 -9.773 -1.376 1.817 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.312 -3.511 3.214 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.135 -0.923 2.151 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.334 -2.009 3.270 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.463 -1.837 -0.411 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.103 -3.520 -1.794 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.943 -4.084 3.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.164 -5.477 -1.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.318 -5.849 2.871 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.935 -6.524 0.546 1.00 0.00 H new ATOM 139 N LYS A 93 -8.213 -1.837 5.272 1.00 0.00 N ATOM 140 CA LYS A 93 -8.528 -1.024 6.432 1.00 0.00 C ATOM 141 C LYS A 93 -7.245 -0.506 7.056 1.00 0.00 C ATOM 142 O LYS A 93 -6.168 -1.079 6.846 1.00 0.00 O ATOM 143 CB LYS A 93 -9.350 -1.795 7.459 1.00 0.00 C ATOM 144 CG LYS A 93 -8.590 -2.858 8.213 1.00 0.00 C ATOM 145 CD LYS A 93 -9.567 -3.699 9.042 1.00 0.00 C ATOM 146 CE LYS A 93 -8.902 -4.852 9.783 1.00 0.00 C ATOM 147 NZ LYS A 93 -8.345 -5.872 8.876 1.00 0.00 N ATOM 0 H LYS A 93 -7.511 -2.559 5.432 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.136 -0.182 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.764 -1.087 8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.193 -2.263 6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -8.047 -3.496 7.515 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.849 -2.396 8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -10.066 -3.054 9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -10.339 -4.098 8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.104 -4.460 10.414 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.631 -5.320 10.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.608 -6.413 9.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.102 -6.517 8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.931 -5.407 8.043 1.00 0.00 H new ATOM 161 N VAL A 94 -7.361 0.569 7.798 1.00 0.00 N ATOM 162 CA VAL A 94 -6.225 1.187 8.453 1.00 0.00 C ATOM 163 C VAL A 94 -5.614 0.234 9.475 1.00 0.00 C ATOM 164 O VAL A 94 -6.323 -0.362 10.285 1.00 0.00 O ATOM 165 CB VAL A 94 -6.628 2.522 9.141 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.466 3.134 9.895 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.154 3.505 8.119 1.00 0.00 C ATOM 0 H VAL A 94 -8.248 1.044 7.967 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.481 1.410 7.688 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.415 2.295 9.860 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.786 4.065 10.362 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.125 2.440 10.664 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.649 3.337 9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.432 4.434 8.617 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.381 3.708 7.378 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.029 3.083 7.625 1.00 0.00 H new ATOM 177 N GLY A 95 -4.323 0.049 9.378 1.00 0.00 N ATOM 178 CA GLY A 95 -3.611 -0.784 10.306 1.00 0.00 C ATOM 179 C GLY A 95 -3.201 -2.095 9.694 1.00 0.00 C ATOM 180 O GLY A 95 -2.533 -2.918 10.331 1.00 0.00 O ATOM 0 H GLY A 95 -3.739 0.471 8.656 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.725 -0.257 10.659 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.238 -0.972 11.178 1.00 0.00 H new ATOM 184 N ASP A 96 -3.573 -2.294 8.457 1.00 0.00 N ATOM 185 CA ASP A 96 -3.274 -3.536 7.770 1.00 0.00 C ATOM 186 C ASP A 96 -2.043 -3.405 6.935 1.00 0.00 C ATOM 187 O ASP A 96 -1.829 -2.383 6.291 1.00 0.00 O ATOM 188 CB ASP A 96 -4.443 -4.014 6.889 1.00 0.00 C ATOM 189 CG ASP A 96 -5.605 -4.602 7.651 1.00 0.00 C ATOM 190 OD1 ASP A 96 -5.684 -4.448 8.876 1.00 0.00 O ATOM 191 OD2 ASP A 96 -6.467 -5.272 7.034 1.00 0.00 O ATOM 0 H ASP A 96 -4.086 -1.613 7.897 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.108 -4.283 8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.802 -3.172 6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.070 -4.761 6.188 1.00 0.00 H new ATOM 196 N LYS A 97 -1.192 -4.388 7.009 1.00 0.00 N ATOM 197 CA LYS A 97 -0.050 -4.461 6.174 1.00 0.00 C ATOM 198 C LYS A 97 -0.423 -4.924 4.796 1.00 0.00 C ATOM 199 O LYS A 97 -1.354 -5.723 4.614 1.00 0.00 O ATOM 200 CB LYS A 97 0.895 -5.398 6.802 1.00 0.00 C ATOM 201 CG LYS A 97 1.290 -4.913 8.166 1.00 0.00 C ATOM 202 CD LYS A 97 1.417 -6.038 9.125 1.00 0.00 C ATOM 203 CE LYS A 97 0.073 -6.637 9.442 1.00 0.00 C ATOM 204 NZ LYS A 97 0.167 -7.748 10.402 1.00 0.00 N ATOM 0 H LYS A 97 -1.282 -5.166 7.662 1.00 0.00 H new ATOM 0 HA LYS A 97 0.405 -3.476 6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.440 -6.385 6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.781 -5.503 6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.237 -4.378 8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.547 -4.204 8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.070 -6.804 8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.887 -5.685 10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.580 -5.864 9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.389 -6.994 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.783 -8.127 10.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.768 -8.499 10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.583 -7.404 11.291 1.00 0.00 H new ATOM 218 N CYS A 98 0.297 -4.438 3.859 1.00 0.00 N ATOM 219 CA CYS A 98 0.089 -4.696 2.492 1.00 0.00 C ATOM 220 C CYS A 98 1.411 -4.514 1.776 1.00 0.00 C ATOM 221 O CYS A 98 2.468 -4.449 2.411 1.00 0.00 O ATOM 222 CB CYS A 98 -0.949 -3.702 1.951 1.00 0.00 C ATOM 223 SG CYS A 98 -0.480 -1.974 2.157 1.00 0.00 S ATOM 0 H CYS A 98 1.087 -3.818 4.036 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.279 -5.710 2.335 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.111 -3.901 0.892 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.900 -3.873 2.456 1.00 0.00 H new ATOM 0 HG CYS A 98 0.491 -1.887 3.017 1.00 0.00 H new ATOM 229 N SER A 99 1.352 -4.447 0.505 1.00 0.00 N ATOM 230 CA SER A 99 2.489 -4.183 -0.315 1.00 0.00 C ATOM 231 C SER A 99 2.150 -3.058 -1.258 1.00 0.00 C ATOM 232 O SER A 99 1.011 -2.964 -1.737 1.00 0.00 O ATOM 233 CB SER A 99 2.896 -5.434 -1.073 1.00 0.00 C ATOM 234 OG SER A 99 3.327 -6.450 -0.188 1.00 0.00 O ATOM 0 H SER A 99 0.488 -4.577 -0.021 1.00 0.00 H new ATOM 0 HA SER A 99 3.337 -3.888 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.054 -5.795 -1.663 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.696 -5.194 -1.773 1.00 0.00 H new ATOM 0 HG SER A 99 2.940 -7.308 -0.461 1.00 0.00 H new ATOM 240 N ALA A 100 3.094 -2.199 -1.489 1.00 0.00 N ATOM 241 CA ALA A 100 2.896 -1.065 -2.338 1.00 0.00 C ATOM 242 C ALA A 100 4.077 -0.905 -3.260 1.00 0.00 C ATOM 243 O ALA A 100 5.156 -1.467 -3.010 1.00 0.00 O ATOM 244 CB ALA A 100 2.698 0.188 -1.504 1.00 0.00 C ATOM 0 H ALA A 100 4.031 -2.265 -1.091 1.00 0.00 H new ATOM 0 HA ALA A 100 2.000 -1.222 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.548 1.044 -2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.824 0.065 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.579 0.356 -0.885 1.00 0.00 H new ATOM 250 N ILE A 101 3.870 -0.187 -4.326 1.00 0.00 N ATOM 251 CA ILE A 101 4.901 0.087 -5.284 1.00 0.00 C ATOM 252 C ILE A 101 5.545 1.399 -4.946 1.00 0.00 C ATOM 253 O ILE A 101 4.907 2.454 -5.034 1.00 0.00 O ATOM 254 CB ILE A 101 4.325 0.125 -6.725 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.932 -1.286 -7.174 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.300 0.773 -7.726 1.00 0.00 C ATOM 257 CD1 ILE A 101 5.089 -2.172 -7.565 1.00 0.00 C ATOM 0 H ILE A 101 2.968 0.230 -4.557 1.00 0.00 H new ATOM 0 HA ILE A 101 5.644 -0.709 -5.245 1.00 0.00 H new ATOM 0 HB ILE A 101 3.433 0.751 -6.707 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.380 -1.768 -6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.252 -1.206 -8.022 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.852 0.776 -8.720 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.509 1.798 -7.419 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.230 0.204 -7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.713 -3.149 -7.868 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.630 -1.718 -8.395 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.761 -2.289 -6.715 1.00 0.00 H new ATOM 269 N TRP A 102 6.786 1.336 -4.544 1.00 0.00 N ATOM 270 CA TRP A 102 7.521 2.522 -4.208 1.00 0.00 C ATOM 271 C TRP A 102 7.737 3.275 -5.456 1.00 0.00 C ATOM 272 O TRP A 102 8.373 2.777 -6.367 1.00 0.00 O ATOM 273 CB TRP A 102 8.866 2.183 -3.598 1.00 0.00 C ATOM 274 CG TRP A 102 9.490 3.321 -2.843 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.836 4.326 -2.201 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.883 3.550 -2.622 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.736 5.150 -1.578 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.996 4.696 -1.821 1.00 0.00 C ATOM 279 CE3 TRP A 102 12.040 2.898 -3.014 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.227 5.192 -1.411 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.250 3.394 -2.612 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.330 4.531 -1.813 1.00 0.00 C ATOM 0 H TRP A 102 7.311 0.468 -4.441 1.00 0.00 H new ATOM 0 HA TRP A 102 6.959 3.103 -3.477 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.746 1.334 -2.925 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.545 1.868 -4.390 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.764 4.456 -2.185 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.500 5.972 -1.022 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.988 2.011 -3.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.297 6.075 -0.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 14.157 2.896 -2.919 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.301 4.892 -1.508 1.00 0.00 H new ATOM 293 N SER A 103 7.256 4.466 -5.484 1.00 0.00 N ATOM 294 CA SER A 103 7.312 5.302 -6.641 1.00 0.00 C ATOM 295 C SER A 103 8.736 5.609 -7.072 1.00 0.00 C ATOM 296 O SER A 103 8.998 5.970 -8.211 1.00 0.00 O ATOM 297 CB SER A 103 6.623 6.564 -6.293 1.00 0.00 C ATOM 298 OG SER A 103 5.240 6.360 -6.071 1.00 0.00 O ATOM 0 H SER A 103 6.799 4.903 -4.684 1.00 0.00 H new ATOM 0 HA SER A 103 6.838 4.787 -7.476 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.076 6.992 -5.399 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.760 7.287 -7.097 1.00 0.00 H new ATOM 0 HG SER A 103 4.932 6.955 -5.355 1.00 0.00 H new ATOM 304 N GLU A 104 9.634 5.451 -6.163 1.00 0.00 N ATOM 305 CA GLU A 104 10.992 5.803 -6.366 1.00 0.00 C ATOM 306 C GLU A 104 11.782 4.704 -7.049 1.00 0.00 C ATOM 307 O GLU A 104 12.618 4.980 -7.912 1.00 0.00 O ATOM 308 CB GLU A 104 11.543 6.103 -5.033 1.00 0.00 C ATOM 309 CG GLU A 104 10.684 7.117 -4.322 1.00 0.00 C ATOM 310 CD GLU A 104 10.804 8.521 -4.855 1.00 0.00 C ATOM 311 OE1 GLU A 104 11.822 9.182 -4.602 1.00 0.00 O ATOM 312 OE2 GLU A 104 9.876 8.989 -5.544 1.00 0.00 O ATOM 0 H GLU A 104 9.439 5.065 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 104 11.062 6.662 -7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.600 5.189 -4.443 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.560 6.484 -5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.642 6.804 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.947 7.120 -3.264 1.00 0.00 H new ATOM 319 N ASP A 105 11.532 3.465 -6.680 1.00 0.00 N ATOM 320 CA ASP A 105 12.301 2.376 -7.270 1.00 0.00 C ATOM 321 C ASP A 105 11.420 1.567 -8.217 1.00 0.00 C ATOM 322 O ASP A 105 11.899 0.815 -9.047 1.00 0.00 O ATOM 323 CB ASP A 105 12.858 1.481 -6.154 1.00 0.00 C ATOM 324 CG ASP A 105 13.945 0.538 -6.617 1.00 0.00 C ATOM 325 OD1 ASP A 105 15.130 0.923 -6.583 1.00 0.00 O ATOM 326 OD2 ASP A 105 13.656 -0.597 -6.982 1.00 0.00 O ATOM 0 H ASP A 105 10.827 3.186 -5.997 1.00 0.00 H new ATOM 0 HA ASP A 105 13.133 2.787 -7.843 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.252 2.112 -5.357 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.042 0.899 -5.726 1.00 0.00 H new ATOM 331 N GLY A 106 10.112 1.757 -8.091 1.00 0.00 N ATOM 332 CA GLY A 106 9.136 1.100 -8.962 1.00 0.00 C ATOM 333 C GLY A 106 8.826 -0.309 -8.516 1.00 0.00 C ATOM 334 O GLY A 106 7.979 -0.988 -9.095 1.00 0.00 O ATOM 0 H GLY A 106 9.696 2.367 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.216 1.684 -8.978 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.519 1.080 -9.982 1.00 0.00 H new ATOM 338 N CYS A 107 9.515 -0.737 -7.505 1.00 0.00 N ATOM 339 CA CYS A 107 9.422 -2.049 -6.989 1.00 0.00 C ATOM 340 C CYS A 107 8.377 -2.193 -5.891 1.00 0.00 C ATOM 341 O CYS A 107 7.872 -1.194 -5.358 1.00 0.00 O ATOM 342 CB CYS A 107 10.779 -2.439 -6.519 1.00 0.00 C ATOM 343 SG CYS A 107 11.948 -2.741 -7.839 1.00 0.00 S ATOM 0 H CYS A 107 10.182 -0.151 -7.003 1.00 0.00 H new ATOM 0 HA CYS A 107 9.080 -2.720 -7.777 1.00 0.00 H new ATOM 0 HB2 CYS A 107 11.170 -1.651 -5.875 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.696 -3.338 -5.908 1.00 0.00 H new ATOM 0 HG CYS A 107 12.967 -1.945 -7.707 1.00 0.00 H new ATOM 349 N ILE A 108 8.079 -3.433 -5.548 1.00 0.00 N ATOM 350 CA ILE A 108 7.105 -3.763 -4.529 1.00 0.00 C ATOM 351 C ILE A 108 7.786 -3.859 -3.189 1.00 0.00 C ATOM 352 O ILE A 108 8.842 -4.487 -3.064 1.00 0.00 O ATOM 353 CB ILE A 108 6.454 -5.130 -4.791 1.00 0.00 C ATOM 354 CG1 ILE A 108 6.002 -5.228 -6.234 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.275 -5.310 -3.846 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.337 -6.543 -6.592 1.00 0.00 C ATOM 0 H ILE A 108 8.514 -4.250 -5.977 1.00 0.00 H new ATOM 0 HA ILE A 108 6.348 -2.979 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 108 7.181 -5.922 -4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.306 -4.415 -6.441 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.865 -5.082 -6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.808 -6.278 -4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.625 -5.263 -2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.546 -4.518 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.045 -6.529 -7.642 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.035 -7.362 -6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.452 -6.684 -5.971 1.00 0.00 H new ATOM 368 N TYR A 109 7.203 -3.254 -2.206 1.00 0.00 N ATOM 369 CA TYR A 109 7.728 -3.279 -0.870 1.00 0.00 C ATOM 370 C TYR A 109 6.591 -3.369 0.125 1.00 0.00 C ATOM 371 O TYR A 109 5.475 -2.932 -0.176 1.00 0.00 O ATOM 372 CB TYR A 109 8.551 -2.034 -0.596 1.00 0.00 C ATOM 373 CG TYR A 109 9.806 -1.907 -1.426 1.00 0.00 C ATOM 374 CD1 TYR A 109 11.008 -2.420 -0.975 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.789 -1.242 -2.643 1.00 0.00 C ATOM 376 CE1 TYR A 109 12.162 -2.272 -1.708 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.939 -1.093 -3.384 1.00 0.00 C ATOM 378 CZ TYR A 109 12.124 -1.604 -2.912 1.00 0.00 C ATOM 379 OH TYR A 109 13.281 -1.448 -3.648 1.00 0.00 O ATOM 0 H TYR A 109 6.339 -2.721 -2.304 1.00 0.00 H new ATOM 0 HA TYR A 109 8.372 -4.152 -0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.927 -1.158 -0.771 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.827 -2.023 0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.041 -2.945 -0.032 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.860 -0.835 -3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 109 13.093 -2.677 -1.342 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.910 -0.577 -4.332 1.00 0.00 H new ATOM 0 HH TYR A 109 13.081 -0.955 -4.471 1.00 0.00 H new ATOM 389 N PRO A 110 6.837 -3.959 1.304 1.00 0.00 N ATOM 390 CA PRO A 110 5.821 -4.086 2.345 1.00 0.00 C ATOM 391 C PRO A 110 5.513 -2.735 2.991 1.00 0.00 C ATOM 392 O PRO A 110 6.422 -1.957 3.324 1.00 0.00 O ATOM 393 CB PRO A 110 6.470 -5.028 3.362 1.00 0.00 C ATOM 394 CG PRO A 110 7.931 -4.822 3.186 1.00 0.00 C ATOM 395 CD PRO A 110 8.134 -4.535 1.728 1.00 0.00 C ATOM 0 HA PRO A 110 4.871 -4.454 1.958 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.156 -4.791 4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.191 -6.065 3.176 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.285 -3.994 3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.490 -5.707 3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.955 -3.836 1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.372 -5.441 1.170 1.00 0.00 H new ATOM 403 N ALA A 111 4.262 -2.458 3.172 1.00 0.00 N ATOM 404 CA ALA A 111 3.840 -1.211 3.725 1.00 0.00 C ATOM 405 C ALA A 111 2.579 -1.404 4.523 1.00 0.00 C ATOM 406 O ALA A 111 1.793 -2.273 4.225 1.00 0.00 O ATOM 407 CB ALA A 111 3.622 -0.204 2.622 1.00 0.00 C ATOM 0 H ALA A 111 3.499 -3.094 2.939 1.00 0.00 H new ATOM 0 HA ALA A 111 4.617 -0.833 4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.300 0.744 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.553 -0.056 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.855 -0.571 1.940 1.00 0.00 H new ATOM 413 N THR A 112 2.385 -0.603 5.513 1.00 0.00 N ATOM 414 CA THR A 112 1.224 -0.711 6.358 1.00 0.00 C ATOM 415 C THR A 112 0.329 0.488 6.126 1.00 0.00 C ATOM 416 O THR A 112 0.812 1.607 6.040 1.00 0.00 O ATOM 417 CB THR A 112 1.635 -0.733 7.834 1.00 0.00 C ATOM 418 OG1 THR A 112 2.677 -1.710 8.018 1.00 0.00 O ATOM 419 CG2 THR A 112 0.439 -1.102 8.702 1.00 0.00 C ATOM 0 H THR A 112 3.023 0.151 5.768 1.00 0.00 H new ATOM 0 HA THR A 112 0.700 -1.636 6.116 1.00 0.00 H new ATOM 0 HB THR A 112 1.994 0.254 8.123 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.485 -1.419 7.546 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.740 -1.115 9.750 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.353 -0.367 8.561 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.073 -2.088 8.417 1.00 0.00 H new ATOM 427 N ILE A 113 -0.942 0.249 6.014 1.00 0.00 N ATOM 428 CA ILE A 113 -1.916 1.296 5.801 1.00 0.00 C ATOM 429 C ILE A 113 -2.024 2.183 7.035 1.00 0.00 C ATOM 430 O ILE A 113 -2.415 1.721 8.108 1.00 0.00 O ATOM 431 CB ILE A 113 -3.275 0.682 5.505 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.146 -0.280 4.337 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.277 1.775 5.177 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.296 -1.209 4.226 1.00 0.00 C ATOM 0 H ILE A 113 -1.345 -0.687 6.067 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.593 1.902 4.954 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.629 0.139 6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.055 0.289 3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.228 -0.857 4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.248 1.327 4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.367 2.453 6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.936 2.331 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.147 -1.872 3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.374 -1.802 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.213 -0.637 4.085 1.00 0.00 H new ATOM 446 N ALA A 114 -1.684 3.433 6.866 1.00 0.00 N ATOM 447 CA ALA A 114 -1.696 4.400 7.938 1.00 0.00 C ATOM 448 C ALA A 114 -3.020 5.146 7.991 1.00 0.00 C ATOM 449 O ALA A 114 -3.526 5.438 9.068 1.00 0.00 O ATOM 450 CB ALA A 114 -0.545 5.376 7.782 1.00 0.00 C ATOM 0 H ALA A 114 -1.386 3.816 5.969 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.576 3.862 8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.568 6.099 8.598 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.399 4.832 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.638 5.900 6.831 1.00 0.00 H new ATOM 456 N SER A 115 -3.570 5.460 6.833 1.00 0.00 N ATOM 457 CA SER A 115 -4.837 6.158 6.743 1.00 0.00 C ATOM 458 C SER A 115 -5.447 5.922 5.361 1.00 0.00 C ATOM 459 O SER A 115 -4.714 5.778 4.390 1.00 0.00 O ATOM 460 CB SER A 115 -4.617 7.660 6.998 1.00 0.00 C ATOM 461 OG SER A 115 -3.639 8.202 6.107 1.00 0.00 O ATOM 0 H SER A 115 -3.151 5.238 5.930 1.00 0.00 H new ATOM 0 HA SER A 115 -5.527 5.779 7.497 1.00 0.00 H new ATOM 0 HB2 SER A 115 -5.559 8.194 6.875 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.297 7.813 8.029 1.00 0.00 H new ATOM 0 HG SER A 115 -3.522 9.157 6.292 1.00 0.00 H new ATOM 467 N ILE A 116 -6.762 5.862 5.275 1.00 0.00 N ATOM 468 CA ILE A 116 -7.453 5.628 4.020 1.00 0.00 C ATOM 469 C ILE A 116 -8.439 6.736 3.763 1.00 0.00 C ATOM 470 O ILE A 116 -9.153 7.169 4.668 1.00 0.00 O ATOM 471 CB ILE A 116 -8.256 4.299 4.049 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.356 3.127 4.384 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.970 4.059 2.712 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.084 1.826 4.484 1.00 0.00 C ATOM 0 H ILE A 116 -7.384 5.974 6.076 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.692 5.583 3.241 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.011 4.386 4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.582 3.044 3.621 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.851 3.325 5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.525 3.122 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.660 4.880 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.233 4.005 1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.378 1.032 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.840 1.891 5.267 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.566 1.605 3.532 1.00 0.00 H new ATOM 486 N ASP A 117 -8.458 7.212 2.570 1.00 0.00 N ATOM 487 CA ASP A 117 -9.456 8.141 2.145 1.00 0.00 C ATOM 488 C ASP A 117 -10.346 7.416 1.190 1.00 0.00 C ATOM 489 O ASP A 117 -9.955 7.130 0.063 1.00 0.00 O ATOM 490 CB ASP A 117 -8.869 9.378 1.504 1.00 0.00 C ATOM 491 CG ASP A 117 -9.959 10.373 1.148 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.575 10.226 0.088 1.00 0.00 O ATOM 493 OD2 ASP A 117 -10.231 11.310 1.950 1.00 0.00 O ATOM 0 H ASP A 117 -7.777 6.969 1.850 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.011 8.500 3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.156 9.842 2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.317 9.100 0.606 1.00 0.00 H new ATOM 498 N PHE A 118 -11.521 7.093 1.637 1.00 0.00 N ATOM 499 CA PHE A 118 -12.444 6.283 0.870 1.00 0.00 C ATOM 500 C PHE A 118 -13.103 7.057 -0.249 1.00 0.00 C ATOM 501 O PHE A 118 -13.709 6.466 -1.141 1.00 0.00 O ATOM 502 CB PHE A 118 -13.498 5.660 1.768 1.00 0.00 C ATOM 503 CG PHE A 118 -12.980 4.596 2.704 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.873 3.279 2.279 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.611 4.908 4.004 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.411 2.294 3.132 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.146 3.925 4.861 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.045 2.617 4.423 1.00 0.00 C ATOM 0 H PHE A 118 -11.877 7.381 2.548 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.853 5.490 0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.965 6.448 2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.278 5.226 1.143 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -13.154 3.020 1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.687 5.928 4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.337 1.273 2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.862 4.180 5.871 1.00 0.00 H new ATOM 0 HZ PHE A 118 -11.680 1.850 5.090 1.00 0.00 H new ATOM 518 N LYS A 119 -12.988 8.364 -0.213 1.00 0.00 N ATOM 519 CA LYS A 119 -13.579 9.192 -1.247 1.00 0.00 C ATOM 520 C LYS A 119 -12.749 9.034 -2.491 1.00 0.00 C ATOM 521 O LYS A 119 -13.266 8.874 -3.593 1.00 0.00 O ATOM 522 CB LYS A 119 -13.499 10.654 -0.869 1.00 0.00 C ATOM 523 CG LYS A 119 -13.886 10.985 0.540 1.00 0.00 C ATOM 524 CD LYS A 119 -13.602 12.437 0.785 1.00 0.00 C ATOM 525 CE LYS A 119 -13.602 12.774 2.253 1.00 0.00 C ATOM 526 NZ LYS A 119 -12.616 11.967 3.011 1.00 0.00 N ATOM 0 H LYS A 119 -12.494 8.878 0.516 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.618 8.893 -1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.478 10.998 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.140 11.220 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.943 10.774 0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -13.326 10.366 1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.634 12.694 0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.350 13.044 0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.378 13.833 2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -14.598 12.607 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -12.223 12.538 3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.084 11.125 3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -11.848 11.671 2.376 1.00 0.00 H new ATOM 540 N ARG A 120 -11.437 9.024 -2.293 1.00 0.00 N ATOM 541 CA ARG A 120 -10.512 8.929 -3.401 1.00 0.00 C ATOM 542 C ARG A 120 -10.094 7.503 -3.589 1.00 0.00 C ATOM 543 O ARG A 120 -9.423 7.165 -4.570 1.00 0.00 O ATOM 544 CB ARG A 120 -9.277 9.809 -3.128 1.00 0.00 C ATOM 545 CG ARG A 120 -9.619 11.259 -2.813 1.00 0.00 C ATOM 546 CD ARG A 120 -10.406 11.886 -3.937 1.00 0.00 C ATOM 547 NE ARG A 120 -10.927 13.210 -3.581 1.00 0.00 N ATOM 548 CZ ARG A 120 -12.194 13.604 -3.784 1.00 0.00 C ATOM 549 NH1 ARG A 120 -13.072 12.786 -4.367 1.00 0.00 N ATOM 550 NH2 ARG A 120 -12.575 14.813 -3.405 1.00 0.00 N ATOM 0 H ARG A 120 -10.996 9.081 -1.375 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.002 9.279 -4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.718 9.387 -2.293 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.621 9.780 -3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.196 11.308 -1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.702 11.825 -2.647 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.770 11.973 -4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -11.235 11.232 -4.206 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.284 13.875 -3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -12.782 11.854 -4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -14.033 13.093 -4.518 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -11.907 15.442 -2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -13.537 15.116 -3.558 1.00 0.00 H new ATOM 564 N GLU A 121 -10.511 6.669 -2.639 1.00 0.00 N ATOM 565 CA GLU A 121 -10.182 5.258 -2.593 1.00 0.00 C ATOM 566 C GLU A 121 -8.670 5.067 -2.574 1.00 0.00 C ATOM 567 O GLU A 121 -8.129 4.084 -3.095 1.00 0.00 O ATOM 568 CB GLU A 121 -10.864 4.490 -3.729 1.00 0.00 C ATOM 569 CG GLU A 121 -12.376 4.430 -3.575 1.00 0.00 C ATOM 570 CD GLU A 121 -13.063 3.769 -4.733 1.00 0.00 C ATOM 571 OE1 GLU A 121 -13.081 2.519 -4.810 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.622 4.496 -5.595 1.00 0.00 O ATOM 0 H GLU A 121 -11.101 6.969 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.571 4.836 -1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.619 4.963 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.467 3.476 -3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.620 3.890 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.763 5.442 -3.461 1.00 0.00 H new ATOM 579 N THR A 122 -8.000 5.994 -1.940 1.00 0.00 N ATOM 580 CA THR A 122 -6.585 5.932 -1.808 1.00 0.00 C ATOM 581 C THR A 122 -6.227 5.852 -0.333 1.00 0.00 C ATOM 582 O THR A 122 -7.051 6.153 0.527 1.00 0.00 O ATOM 583 CB THR A 122 -5.875 7.141 -2.468 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.297 8.370 -1.867 1.00 0.00 O ATOM 585 CG2 THR A 122 -6.150 7.214 -3.960 1.00 0.00 C ATOM 0 H THR A 122 -8.429 6.810 -1.504 1.00 0.00 H new ATOM 0 HA THR A 122 -6.237 5.041 -2.330 1.00 0.00 H new ATOM 0 HB THR A 122 -4.806 6.996 -2.312 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.651 9.076 -2.079 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.634 8.076 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.792 6.304 -4.441 1.00 0.00 H new ATOM 0 HG23 THR A 122 -7.222 7.315 -4.128 1.00 0.00 H new ATOM 593 N CYS A 123 -5.045 5.437 -0.039 1.00 0.00 N ATOM 594 CA CYS A 123 -4.606 5.317 1.308 1.00 0.00 C ATOM 595 C CYS A 123 -3.138 5.588 1.403 1.00 0.00 C ATOM 596 O CYS A 123 -2.395 5.365 0.453 1.00 0.00 O ATOM 597 CB CYS A 123 -4.901 3.921 1.820 1.00 0.00 C ATOM 598 SG CYS A 123 -4.241 2.615 0.768 1.00 0.00 S ATOM 0 H CYS A 123 -4.348 5.168 -0.734 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.139 6.047 1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.485 3.815 2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.980 3.795 1.908 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.933 3.108 -0.395 1.00 0.00 H new ATOM 604 N VAL A 124 -2.725 6.037 2.528 1.00 0.00 N ATOM 605 CA VAL A 124 -1.353 6.284 2.785 1.00 0.00 C ATOM 606 C VAL A 124 -0.811 5.075 3.474 1.00 0.00 C ATOM 607 O VAL A 124 -1.420 4.574 4.426 1.00 0.00 O ATOM 608 CB VAL A 124 -1.150 7.527 3.683 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.326 7.757 3.969 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.753 8.750 3.027 1.00 0.00 C ATOM 0 H VAL A 124 -3.341 6.248 3.313 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.836 6.481 1.846 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.656 7.348 4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.441 8.637 4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.738 6.886 4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.858 7.913 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.604 9.618 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.270 8.922 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.820 8.592 2.874 1.00 0.00 H new ATOM 620 N VAL A 125 0.295 4.597 3.011 1.00 0.00 N ATOM 621 CA VAL A 125 0.898 3.451 3.586 1.00 0.00 C ATOM 622 C VAL A 125 2.307 3.807 4.011 1.00 0.00 C ATOM 623 O VAL A 125 2.958 4.664 3.404 1.00 0.00 O ATOM 624 CB VAL A 125 0.949 2.237 2.589 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.436 1.824 2.094 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.876 2.521 1.416 1.00 0.00 C ATOM 0 H VAL A 125 0.804 4.994 2.221 1.00 0.00 H new ATOM 0 HA VAL A 125 0.294 3.146 4.440 1.00 0.00 H new ATOM 0 HB VAL A 125 1.352 1.395 3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.341 0.982 1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.054 1.533 2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.902 2.662 1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.888 1.662 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.520 3.398 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.884 2.707 1.786 1.00 0.00 H new ATOM 636 N VAL A 126 2.735 3.201 5.061 1.00 0.00 N ATOM 637 CA VAL A 126 4.050 3.384 5.588 1.00 0.00 C ATOM 638 C VAL A 126 4.863 2.165 5.281 1.00 0.00 C ATOM 639 O VAL A 126 4.501 1.066 5.690 1.00 0.00 O ATOM 640 CB VAL A 126 4.027 3.623 7.119 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.446 3.627 7.687 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.323 4.935 7.437 1.00 0.00 C ATOM 0 H VAL A 126 2.167 2.544 5.596 1.00 0.00 H new ATOM 0 HA VAL A 126 4.490 4.267 5.124 1.00 0.00 H new ATOM 0 HB VAL A 126 3.475 2.808 7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.407 3.796 8.763 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.920 2.666 7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.024 4.422 7.216 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.314 5.091 8.516 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.852 5.758 6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.298 4.897 7.067 1.00 0.00 H new ATOM 652 N TYR A 127 5.929 2.353 4.556 1.00 0.00 N ATOM 653 CA TYR A 127 6.798 1.276 4.175 1.00 0.00 C ATOM 654 C TYR A 127 7.477 0.706 5.376 1.00 0.00 C ATOM 655 O TYR A 127 8.317 1.362 6.022 1.00 0.00 O ATOM 656 CB TYR A 127 7.796 1.709 3.131 1.00 0.00 C ATOM 657 CG TYR A 127 7.157 2.062 1.819 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.733 1.067 0.954 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.964 3.382 1.447 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.143 1.372 -0.242 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.364 3.694 0.255 1.00 0.00 C ATOM 662 CZ TYR A 127 5.956 2.687 -0.586 1.00 0.00 C ATOM 663 OH TYR A 127 5.316 2.991 -1.775 1.00 0.00 O ATOM 0 H TYR A 127 6.222 3.267 4.210 1.00 0.00 H new ATOM 0 HA TYR A 127 6.188 0.493 3.724 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.351 2.571 3.502 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.519 0.908 2.973 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.871 0.032 1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.290 4.175 2.104 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.827 0.584 -0.910 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.213 4.727 -0.022 1.00 0.00 H new ATOM 0 HH TYR A 127 5.467 3.934 -1.996 1.00 0.00 H new ATOM 673 N THR A 128 7.104 -0.496 5.671 1.00 0.00 N ATOM 674 CA THR A 128 7.530 -1.195 6.820 1.00 0.00 C ATOM 675 C THR A 128 9.027 -1.475 6.757 1.00 0.00 C ATOM 676 O THR A 128 9.551 -1.963 5.743 1.00 0.00 O ATOM 677 CB THR A 128 6.749 -2.502 6.888 1.00 0.00 C ATOM 678 OG1 THR A 128 5.335 -2.208 6.895 1.00 0.00 O ATOM 679 CG2 THR A 128 7.122 -3.312 8.109 1.00 0.00 C ATOM 0 H THR A 128 6.465 -1.034 5.086 1.00 0.00 H new ATOM 0 HA THR A 128 7.346 -0.595 7.711 1.00 0.00 H new ATOM 0 HB THR A 128 7.000 -3.101 6.013 1.00 0.00 H new ATOM 0 HG1 THR A 128 4.827 -3.045 6.937 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.545 -4.236 8.123 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.185 -3.549 8.078 1.00 0.00 H new ATOM 0 HG23 THR A 128 6.905 -2.735 9.008 1.00 0.00 H new ATOM 687 N GLY A 129 9.700 -1.139 7.825 1.00 0.00 N ATOM 688 CA GLY A 129 11.108 -1.337 7.915 1.00 0.00 C ATOM 689 C GLY A 129 11.872 -0.113 7.491 1.00 0.00 C ATOM 690 O GLY A 129 13.023 0.067 7.875 1.00 0.00 O ATOM 0 H GLY A 129 9.280 -0.720 8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.374 -1.595 8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.397 -2.181 7.289 1.00 0.00 H new ATOM 694 N TYR A 130 11.235 0.751 6.723 1.00 0.00 N ATOM 695 CA TYR A 130 11.901 1.924 6.234 1.00 0.00 C ATOM 696 C TYR A 130 11.399 3.146 6.961 1.00 0.00 C ATOM 697 O TYR A 130 12.190 3.928 7.481 1.00 0.00 O ATOM 698 CB TYR A 130 11.709 2.074 4.740 1.00 0.00 C ATOM 699 CG TYR A 130 12.225 0.907 3.924 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.583 0.737 3.697 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.349 -0.017 3.372 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.053 -0.323 2.945 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.808 -1.077 2.622 1.00 0.00 C ATOM 704 CZ TYR A 130 13.158 -1.227 2.409 1.00 0.00 C ATOM 705 OH TYR A 130 13.620 -2.299 1.664 1.00 0.00 O ATOM 0 H TYR A 130 10.263 0.656 6.430 1.00 0.00 H new ATOM 0 HA TYR A 130 12.969 1.818 6.424 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.647 2.205 4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.212 2.983 4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.284 1.444 4.115 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.287 0.097 3.534 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.113 -0.443 2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.111 -1.787 2.203 1.00 0.00 H new ATOM 0 HH TYR A 130 13.231 -2.264 0.765 1.00 0.00 H new ATOM 715 N GLY A 131 10.090 3.296 7.020 1.00 0.00 N ATOM 716 CA GLY A 131 9.522 4.404 7.738 1.00 0.00 C ATOM 717 C GLY A 131 8.945 5.490 6.851 1.00 0.00 C ATOM 718 O GLY A 131 8.469 6.506 7.363 1.00 0.00 O ATOM 0 H GLY A 131 9.413 2.670 6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.736 4.032 8.395 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.290 4.841 8.376 1.00 0.00 H new ATOM 722 N ASN A 132 8.952 5.286 5.534 1.00 0.00 N ATOM 723 CA ASN A 132 8.402 6.312 4.622 1.00 0.00 C ATOM 724 C ASN A 132 6.950 6.098 4.440 1.00 0.00 C ATOM 725 O ASN A 132 6.447 5.018 4.699 1.00 0.00 O ATOM 726 CB ASN A 132 9.042 6.350 3.223 1.00 0.00 C ATOM 727 CG ASN A 132 10.437 6.921 3.167 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.827 7.731 4.005 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.180 6.554 2.142 1.00 0.00 N ATOM 0 H ASN A 132 9.318 4.451 5.077 1.00 0.00 H new ATOM 0 HA ASN A 132 8.628 7.262 5.107 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.066 5.336 2.825 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.401 6.936 2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 132 12.114 6.945 2.023 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.821 5.879 1.467 1.00 0.00 H new ATOM 736 N ARG A 133 6.285 7.088 3.956 1.00 0.00 N ATOM 737 CA ARG A 133 4.881 7.010 3.746 1.00 0.00 C ATOM 738 C ARG A 133 4.528 7.559 2.377 1.00 0.00 C ATOM 739 O ARG A 133 5.064 8.587 1.946 1.00 0.00 O ATOM 740 CB ARG A 133 4.120 7.686 4.910 1.00 0.00 C ATOM 741 CG ARG A 133 4.284 9.198 5.059 1.00 0.00 C ATOM 742 CD ARG A 133 3.245 9.968 4.257 1.00 0.00 C ATOM 743 NE ARG A 133 3.287 11.413 4.526 1.00 0.00 N ATOM 744 CZ ARG A 133 2.588 12.352 3.862 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.842 12.025 2.803 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.649 13.616 4.256 1.00 0.00 N ATOM 0 H ARG A 133 6.702 7.981 3.693 1.00 0.00 H new ATOM 0 HA ARG A 133 4.561 5.968 3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.058 7.470 4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.439 7.217 5.841 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.203 9.469 6.112 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.282 9.488 4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.409 9.794 3.194 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.252 9.586 4.493 1.00 0.00 H new ATOM 0 HE ARG A 133 3.897 11.730 5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.798 11.055 2.490 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.316 12.745 2.307 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.224 13.873 5.059 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.121 14.332 3.757 1.00 0.00 H new ATOM 760 N GLU A 134 3.667 6.865 1.704 1.00 0.00 N ATOM 761 CA GLU A 134 3.267 7.185 0.372 1.00 0.00 C ATOM 762 C GLU A 134 1.798 6.836 0.200 1.00 0.00 C ATOM 763 O GLU A 134 1.298 5.945 0.880 1.00 0.00 O ATOM 764 CB GLU A 134 4.187 6.436 -0.605 1.00 0.00 C ATOM 765 CG GLU A 134 3.737 6.409 -2.028 1.00 0.00 C ATOM 766 CD GLU A 134 4.893 6.308 -2.983 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.475 5.233 -3.178 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.241 7.343 -3.579 1.00 0.00 O ATOM 0 H GLU A 134 3.209 6.034 2.078 1.00 0.00 H new ATOM 0 HA GLU A 134 3.366 8.250 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.176 6.892 -0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.295 5.408 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.066 5.563 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.166 7.312 -2.245 1.00 0.00 H new ATOM 775 N GLU A 135 1.111 7.537 -0.670 1.00 0.00 N ATOM 776 CA GLU A 135 -0.292 7.325 -0.857 1.00 0.00 C ATOM 777 C GLU A 135 -0.507 6.531 -2.116 1.00 0.00 C ATOM 778 O GLU A 135 -0.040 6.895 -3.194 1.00 0.00 O ATOM 779 CB GLU A 135 -1.047 8.647 -0.903 1.00 0.00 C ATOM 780 CG GLU A 135 -2.559 8.491 -0.950 1.00 0.00 C ATOM 781 CD GLU A 135 -3.300 9.799 -0.906 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.068 10.615 0.024 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.186 10.010 -1.745 1.00 0.00 O ATOM 0 H GLU A 135 1.512 8.265 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.685 6.763 -0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.779 9.238 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.722 9.210 -1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.833 7.958 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.879 7.873 -0.111 1.00 0.00 H new ATOM 790 N GLN A 136 -1.185 5.451 -1.956 1.00 0.00 N ATOM 791 CA GLN A 136 -1.420 4.500 -2.994 1.00 0.00 C ATOM 792 C GLN A 136 -2.907 4.254 -3.061 1.00 0.00 C ATOM 793 O GLN A 136 -3.629 4.603 -2.141 1.00 0.00 O ATOM 794 CB GLN A 136 -0.703 3.205 -2.637 1.00 0.00 C ATOM 795 CG GLN A 136 0.772 3.401 -2.285 1.00 0.00 C ATOM 796 CD GLN A 136 1.668 3.609 -3.491 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.244 4.100 -4.543 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.915 3.313 -3.328 1.00 0.00 N ATOM 0 H GLN A 136 -1.610 5.191 -1.066 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.054 4.863 -3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.211 2.739 -1.793 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.779 2.514 -3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.866 4.261 -1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.122 2.531 -1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.232 2.909 -2.447 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.582 3.484 -4.080 1.00 0.00 H new ATOM 807 N ASN A 137 -3.361 3.682 -4.121 1.00 0.00 N ATOM 808 CA ASN A 137 -4.785 3.399 -4.289 1.00 0.00 C ATOM 809 C ASN A 137 -5.072 2.062 -3.675 1.00 0.00 C ATOM 810 O ASN A 137 -4.254 1.159 -3.778 1.00 0.00 O ATOM 811 CB ASN A 137 -5.156 3.331 -5.771 1.00 0.00 C ATOM 812 CG ASN A 137 -4.737 4.540 -6.578 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.496 5.499 -6.739 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.521 4.516 -7.068 1.00 0.00 N ATOM 0 H ASN A 137 -2.778 3.390 -4.905 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.362 4.192 -3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.699 2.443 -6.207 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.236 3.209 -5.857 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.172 5.310 -7.605 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.924 3.703 -6.912 1.00 0.00 H new ATOM 821 N LEU A 138 -6.216 1.936 -3.056 1.00 0.00 N ATOM 822 CA LEU A 138 -6.659 0.676 -2.431 1.00 0.00 C ATOM 823 C LEU A 138 -6.685 -0.460 -3.466 1.00 0.00 C ATOM 824 O LEU A 138 -6.264 -1.574 -3.199 1.00 0.00 O ATOM 825 CB LEU A 138 -8.057 0.866 -1.843 1.00 0.00 C ATOM 826 CG LEU A 138 -8.192 1.952 -0.781 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.646 2.239 -0.524 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.509 1.538 0.507 1.00 0.00 C ATOM 0 H LEU A 138 -6.886 2.699 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.958 0.410 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.744 1.094 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.379 -0.081 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.706 2.855 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.735 3.016 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.119 2.578 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.140 1.332 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.620 2.330 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.966 0.622 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.450 1.364 0.317 1.00 0.00 H new ATOM 840 N SER A 139 -7.129 -0.134 -4.666 1.00 0.00 N ATOM 841 CA SER A 139 -7.214 -1.083 -5.760 1.00 0.00 C ATOM 842 C SER A 139 -5.838 -1.309 -6.437 1.00 0.00 C ATOM 843 O SER A 139 -5.699 -2.148 -7.336 1.00 0.00 O ATOM 844 CB SER A 139 -8.266 -0.605 -6.777 1.00 0.00 C ATOM 845 OG SER A 139 -9.549 -0.450 -6.149 1.00 0.00 O ATOM 0 H SER A 139 -7.443 0.805 -4.910 1.00 0.00 H new ATOM 0 HA SER A 139 -7.523 -2.047 -5.356 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.952 0.344 -7.213 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.340 -1.322 -7.594 1.00 0.00 H new ATOM 0 HG SER A 139 -10.203 -0.144 -6.812 1.00 0.00 H new ATOM 851 N ASP A 140 -4.833 -0.559 -6.003 1.00 0.00 N ATOM 852 CA ASP A 140 -3.485 -0.642 -6.585 1.00 0.00 C ATOM 853 C ASP A 140 -2.544 -1.306 -5.585 1.00 0.00 C ATOM 854 O ASP A 140 -1.382 -1.608 -5.891 1.00 0.00 O ATOM 855 CB ASP A 140 -2.967 0.761 -6.925 1.00 0.00 C ATOM 856 CG ASP A 140 -1.691 0.775 -7.738 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.755 0.639 -8.972 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.604 0.983 -7.167 1.00 0.00 O ATOM 0 H ASP A 140 -4.920 0.119 -5.246 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.527 -1.233 -7.500 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.740 1.297 -7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.799 1.308 -5.997 1.00 0.00 H new ATOM 863 N LEU A 141 -3.050 -1.521 -4.377 1.00 0.00 N ATOM 864 CA LEU A 141 -2.294 -2.178 -3.340 1.00 0.00 C ATOM 865 C LEU A 141 -2.099 -3.629 -3.666 1.00 0.00 C ATOM 866 O LEU A 141 -2.781 -4.189 -4.525 1.00 0.00 O ATOM 867 CB LEU A 141 -2.952 -2.047 -1.968 1.00 0.00 C ATOM 868 CG LEU A 141 -3.051 -0.648 -1.381 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.647 -0.711 0.008 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.690 0.012 -1.343 1.00 0.00 C ATOM 0 H LEU A 141 -3.991 -1.243 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.326 -1.678 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.959 -2.459 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.399 -2.671 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.702 -0.048 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.714 0.295 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.644 -1.150 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.013 -1.324 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.782 1.012 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.015 -0.582 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.291 0.082 -2.355 1.00 0.00 H new ATOM 882 N LEU A 142 -1.182 -4.222 -2.990 1.00 0.00 N ATOM 883 CA LEU A 142 -0.825 -5.589 -3.222 1.00 0.00 C ATOM 884 C LEU A 142 -0.808 -6.308 -1.888 1.00 0.00 C ATOM 885 O LEU A 142 -0.758 -5.655 -0.835 1.00 0.00 O ATOM 886 CB LEU A 142 0.560 -5.607 -3.871 1.00 0.00 C ATOM 887 CG LEU A 142 0.683 -4.783 -5.160 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.127 -4.508 -5.497 1.00 0.00 C ATOM 889 CD2 LEU A 142 -0.021 -5.475 -6.322 1.00 0.00 C ATOM 0 H LEU A 142 -0.646 -3.772 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.536 -6.088 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.288 -5.236 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.828 -6.640 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 142 0.191 -3.826 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.181 -3.923 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.591 -3.951 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.654 -5.452 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.082 -4.869 -7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.429 -6.454 -6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.078 -5.597 -6.086 1.00 0.00 H new ATOM 901 N SER A 143 -0.845 -7.617 -1.917 1.00 0.00 N ATOM 902 CA SER A 143 -0.852 -8.413 -0.701 1.00 0.00 C ATOM 903 C SER A 143 0.523 -8.351 -0.038 1.00 0.00 C ATOM 904 O SER A 143 1.543 -8.351 -0.745 1.00 0.00 O ATOM 905 CB SER A 143 -1.230 -9.851 -1.042 1.00 0.00 C ATOM 906 OG SER A 143 -2.482 -9.880 -1.709 1.00 0.00 O ATOM 0 H SER A 143 -0.871 -8.165 -2.777 1.00 0.00 H new ATOM 0 HA SER A 143 -1.587 -8.017 -0.000 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.462 -10.297 -1.674 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.280 -10.448 -0.131 1.00 0.00 H new ATOM 0 HG SER A 143 -2.716 -10.807 -1.926 1.00 0.00 H new ATOM 912 N PRO A 144 0.586 -8.285 1.316 1.00 0.00 N ATOM 913 CA PRO A 144 1.855 -8.138 2.036 1.00 0.00 C ATOM 914 C PRO A 144 2.809 -9.293 1.778 1.00 0.00 C ATOM 915 O PRO A 144 2.391 -10.460 1.657 1.00 0.00 O ATOM 916 CB PRO A 144 1.474 -8.082 3.508 1.00 0.00 C ATOM 917 CG PRO A 144 0.078 -8.616 3.586 1.00 0.00 C ATOM 918 CD PRO A 144 -0.562 -8.381 2.242 1.00 0.00 C ATOM 0 HA PRO A 144 2.384 -7.245 1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 144 2.156 -8.680 4.112 1.00 0.00 H new ATOM 0 HB3 PRO A 144 1.524 -7.061 3.887 1.00 0.00 H new ATOM 0 HG2 PRO A 144 0.085 -9.679 3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -0.483 -8.113 4.373 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -1.229 -9.198 1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.157 -7.468 2.237 1.00 0.00 H new ATOM 926 N ILE A 145 4.066 -8.974 1.689 1.00 0.00 N ATOM 927 CA ILE A 145 5.078 -9.953 1.369 1.00 0.00 C ATOM 928 C ILE A 145 5.515 -10.677 2.641 1.00 0.00 C ATOM 929 O ILE A 145 5.565 -10.079 3.734 1.00 0.00 O ATOM 930 CB ILE A 145 6.317 -9.300 0.683 1.00 0.00 C ATOM 931 CG1 ILE A 145 5.878 -8.397 -0.482 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.261 -10.384 0.166 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.016 -7.673 -1.177 1.00 0.00 C ATOM 0 H ILE A 145 4.425 -8.030 1.835 1.00 0.00 H new ATOM 0 HA ILE A 145 4.644 -10.665 0.667 1.00 0.00 H new ATOM 0 HB ILE A 145 6.837 -8.690 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.347 -9.004 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.169 -7.659 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.123 -9.918 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.597 -11.001 0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 145 6.737 -11.007 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.617 -7.059 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.534 -7.037 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.715 -8.402 -1.586 1.00 0.00 H new ATOM 945 N CYS A 146 5.800 -11.937 2.496 1.00 0.00 N ATOM 946 CA CYS A 146 6.227 -12.784 3.567 1.00 0.00 C ATOM 947 C CYS A 146 7.358 -13.655 3.062 1.00 0.00 C ATOM 948 O CYS A 146 7.130 -14.664 2.395 1.00 0.00 O ATOM 949 CB CYS A 146 5.062 -13.656 4.047 1.00 0.00 C ATOM 950 SG CYS A 146 5.434 -14.731 5.463 1.00 0.00 S ATOM 0 H CYS A 146 5.739 -12.418 1.599 1.00 0.00 H new ATOM 0 HA CYS A 146 6.568 -12.180 4.408 1.00 0.00 H new ATOM 0 HB2 CYS A 146 4.228 -13.006 4.313 1.00 0.00 H new ATOM 0 HB3 CYS A 146 4.728 -14.278 3.217 1.00 0.00 H new ATOM 0 HG CYS A 146 4.375 -15.416 5.778 1.00 0.00 H new ATOM 956 N GLU A 147 8.548 -13.234 3.313 1.00 0.00 N ATOM 957 CA GLU A 147 9.719 -13.953 2.903 1.00 0.00 C ATOM 958 C GLU A 147 10.343 -14.620 4.099 1.00 0.00 C ATOM 959 O GLU A 147 10.974 -13.925 4.917 1.00 0.00 O ATOM 960 CB GLU A 147 10.712 -13.031 2.208 1.00 0.00 C ATOM 961 CG GLU A 147 10.186 -12.452 0.914 1.00 0.00 C ATOM 962 CD GLU A 147 11.136 -11.483 0.287 1.00 0.00 C ATOM 963 OE1 GLU A 147 11.060 -10.278 0.592 1.00 0.00 O ATOM 964 OE2 GLU A 147 11.990 -11.899 -0.534 1.00 0.00 O ATOM 965 OXT GLU A 147 10.185 -15.850 4.251 1.00 0.00 O ATOM 0 H GLU A 147 8.746 -12.369 3.816 1.00 0.00 H new ATOM 0 HA GLU A 147 9.430 -14.719 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 147 10.974 -12.216 2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.629 -13.584 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 147 9.985 -13.262 0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 147 9.236 -11.952 1.104 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 17.187 3.103 -2.844 1.00 0.00 N HETATM 974 CA 2MR A1148 16.799 3.373 -1.466 1.00 0.00 C HETATM 975 CB 2MR A1148 16.361 2.070 -0.794 1.00 0.00 C HETATM 976 CG 2MR A1148 15.999 2.152 0.685 1.00 0.00 C HETATM 977 CD 2MR A1148 14.623 2.743 0.909 1.00 0.00 C HETATM 978 NE 2MR A1148 13.563 1.885 0.347 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.261 2.034 0.573 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.873 3.057 1.392 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.550 3.495 1.843 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.420 1.175 -0.035 1.00 0.00 N HETATM 983 CQ2 2MR A1148 9.966 1.072 0.005 1.00 0.00 C HETATM 984 C 2MR A1148 17.968 3.978 -0.747 1.00 0.00 C HETATM 985 O 2MR A1148 17.845 5.107 -0.259 1.00 0.00 O HETATM 986 OXT 2MR A1148 19.022 3.338 -0.675 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.642 0.898 1.031 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.525 1.999 -0.363 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.643 0.242 -0.623 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 9.943 3.766 0.980 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.065 2.685 2.388 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.657 4.360 2.498 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.878 0.479 -0.623 1.00 0.00 H new HETATM 0 HG3 2MR A1148 16.039 1.154 1.122 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.741 2.758 1.205 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.851 1.119 -0.262 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.454 2.877 1.977 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.572 3.731 0.451 1.00 0.00 H new HETATM 0 HB3 2MR A1148 15.498 1.681 -1.335 1.00 0.00 H new HETATM 0 HB2 2MR A1148 17.164 1.341 -0.908 1.00 0.00 H new HETATM 0 HA 2MR A1148 15.962 4.071 -1.436 1.00 0.00 H new HETATM 0 H2 2MR A1148 17.508 3.864 -3.442 1.00 0.00 H new HETATM 0 H 2MR A1148 17.138 2.152 -3.211 1.00 0.00 H new