USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 591 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 45 THR OG1 : rot 91:sc= 0.816 USER MOD Set 1.2: A 47 TYR OH : rot -29:sc= 0.951 USER MOD Set 2.1: A 28 GLN : amide:sc= -1.27 K(o=-4.4,f=-7.6!) USER MOD Set 2.2: A 29 GLN : amide:sc= -3.14 K(o=-4.4,f=-5.4!) USER MOD Single : A 32 THR OG1 : rot -27:sc= 0.456 USER MOD Single : A 37 ASN : amide:sc= -6.81! C(o=-6.8!,f=-8.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0724 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -160:sc= -0.0918 USER MOD Single : A 64 SER OG : rot 16:sc= 0.374 USER MOD Single : A 71 SER OG : rot 180:sc= -0.01 USER MOD Single : A 73 HIS : no HD1:sc= -0.965 K(o=-0.96,f=-1.9!) USER MOD Single : A 86 HIS : no HD1:sc= -5.18! C(o=-5.2!,f=-5.6!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -127:sc= -2.58 (180deg=-9.21!) USER MOD Single : A 92 ASN : amide:sc= -1.4 K(o=-1.4,f=-3!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ -160:sc= -0.0122 (180deg=-0.149) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl -152:sc= -2.41! (180deg=-4.68!) USER MOD Single : A 134 THR OG1 : rot 80:sc= 1.05 USER MOD Single : A 136 MET CE :methyl -126:sc= -0.48 (180deg=-1.89!) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.0038) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 28 13.078 4.200 5.519 1.00 0.00 N ATOM 19 CA GLN A 28 12.149 4.320 6.683 1.00 0.00 C ATOM 20 C GLN A 28 12.619 3.416 7.825 1.00 0.00 C ATOM 21 O GLN A 28 13.647 2.769 7.737 1.00 0.00 O ATOM 22 CB GLN A 28 10.784 3.860 6.190 1.00 0.00 C ATOM 23 CG GLN A 28 10.041 5.030 5.535 1.00 0.00 C ATOM 24 CD GLN A 28 9.754 6.113 6.582 1.00 0.00 C ATOM 25 OE1 GLN A 28 9.009 5.890 7.514 1.00 0.00 O ATOM 26 NE2 GLN A 28 10.318 7.284 6.463 1.00 0.00 N ATOM 0 HA GLN A 28 12.115 5.343 7.058 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.902 3.047 5.474 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.200 3.469 7.023 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.640 5.445 4.724 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.107 4.680 5.095 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.944 7.471 5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.133 8.012 7.153 1.00 0.00 H new ATOM 35 N GLN A 29 11.861 3.377 8.891 1.00 0.00 N ATOM 36 CA GLN A 29 12.231 2.525 10.063 1.00 0.00 C ATOM 37 C GLN A 29 11.916 1.042 9.745 1.00 0.00 C ATOM 38 O GLN A 29 11.007 0.764 8.987 1.00 0.00 O ATOM 39 CB GLN A 29 11.384 3.048 11.241 1.00 0.00 C ATOM 40 CG GLN A 29 9.874 2.861 10.977 1.00 0.00 C ATOM 41 CD GLN A 29 9.239 4.194 10.563 1.00 0.00 C ATOM 42 OE1 GLN A 29 9.401 5.196 11.232 1.00 0.00 O ATOM 43 NE2 GLN A 29 8.530 4.244 9.463 1.00 0.00 N ATOM 0 H GLN A 29 10.994 3.903 9.001 1.00 0.00 H new ATOM 0 HA GLN A 29 13.293 2.577 10.302 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.663 2.521 12.154 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.598 4.104 11.404 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.724 2.119 10.193 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.385 2.480 11.874 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.396 3.401 8.904 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.112 5.125 9.165 1.00 0.00 H new ATOM 52 N PRO A 30 12.708 0.124 10.284 1.00 0.00 N ATOM 53 CA PRO A 30 12.505 -1.312 9.978 1.00 0.00 C ATOM 54 C PRO A 30 11.504 -1.994 10.924 1.00 0.00 C ATOM 55 O PRO A 30 11.528 -3.208 11.052 1.00 0.00 O ATOM 56 CB PRO A 30 13.896 -1.905 10.176 1.00 0.00 C ATOM 57 CG PRO A 30 14.606 -0.991 11.136 1.00 0.00 C ATOM 58 CD PRO A 30 13.847 0.315 11.198 1.00 0.00 C ATOM 0 HA PRO A 30 12.088 -1.455 8.981 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.835 -2.918 10.575 1.00 0.00 H new ATOM 0 HB3 PRO A 30 14.432 -1.967 9.229 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.659 -1.446 12.125 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.631 -0.819 10.809 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.510 0.530 12.212 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.471 1.152 10.885 1.00 0.00 H new ATOM 66 N GLU A 31 10.639 -1.249 11.585 1.00 0.00 N ATOM 67 CA GLU A 31 9.654 -1.903 12.514 1.00 0.00 C ATOM 68 C GLU A 31 8.213 -1.730 12.011 1.00 0.00 C ATOM 69 O GLU A 31 7.591 -0.714 12.248 1.00 0.00 O ATOM 70 CB GLU A 31 9.846 -1.180 13.848 1.00 0.00 C ATOM 71 CG GLU A 31 9.199 -1.993 14.971 1.00 0.00 C ATOM 72 CD GLU A 31 9.448 -1.306 16.319 1.00 0.00 C ATOM 73 OE1 GLU A 31 10.485 -0.675 16.463 1.00 0.00 O ATOM 74 OE2 GLU A 31 8.599 -1.424 17.186 1.00 0.00 O ATOM 0 H GLU A 31 10.573 -0.233 11.522 1.00 0.00 H new ATOM 0 HA GLU A 31 9.820 -2.978 12.591 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.909 -1.044 14.050 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.401 -0.186 13.802 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.128 -2.088 14.793 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.610 -3.002 14.985 1.00 0.00 H new ATOM 81 N THR A 32 7.674 -2.737 11.357 1.00 0.00 N ATOM 82 CA THR A 32 6.261 -2.663 10.855 1.00 0.00 C ATOM 83 C THR A 32 5.774 -4.067 10.473 1.00 0.00 C ATOM 84 O THR A 32 6.488 -4.793 9.797 1.00 0.00 O ATOM 85 CB THR A 32 6.310 -1.787 9.592 1.00 0.00 C ATOM 86 OG1 THR A 32 6.891 -0.527 9.886 1.00 0.00 O ATOM 87 CG2 THR A 32 4.890 -1.576 9.060 1.00 0.00 C ATOM 0 H THR A 32 8.156 -3.611 11.149 1.00 0.00 H new ATOM 0 HA THR A 32 5.588 -2.258 11.611 1.00 0.00 H new ATOM 0 HB THR A 32 6.917 -2.291 8.840 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.748 -0.314 10.832 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.925 -0.955 8.165 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.446 -2.541 8.815 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.286 -1.082 9.821 1.00 0.00 H new ATOM 95 N GLU A 33 4.568 -4.454 10.865 1.00 0.00 N ATOM 96 CA GLU A 33 4.072 -5.812 10.468 1.00 0.00 C ATOM 97 C GLU A 33 2.973 -5.677 9.408 1.00 0.00 C ATOM 98 O GLU A 33 2.206 -4.728 9.393 1.00 0.00 O ATOM 99 CB GLU A 33 3.542 -6.461 11.754 1.00 0.00 C ATOM 100 CG GLU A 33 2.418 -5.613 12.359 1.00 0.00 C ATOM 101 CD GLU A 33 1.319 -6.523 12.914 1.00 0.00 C ATOM 102 OE1 GLU A 33 1.421 -6.902 14.071 1.00 0.00 O ATOM 103 OE2 GLU A 33 0.397 -6.827 12.175 1.00 0.00 O ATOM 0 H GLU A 33 3.926 -3.897 11.429 1.00 0.00 H new ATOM 0 HA GLU A 33 4.858 -6.425 10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.173 -7.463 11.537 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.353 -6.569 12.475 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.815 -4.981 13.154 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.004 -4.949 11.601 1.00 0.00 H new ATOM 110 N ALA A 34 2.923 -6.622 8.509 1.00 0.00 N ATOM 111 CA ALA A 34 1.919 -6.594 7.410 1.00 0.00 C ATOM 112 C ALA A 34 0.862 -7.715 7.493 1.00 0.00 C ATOM 113 O ALA A 34 1.180 -8.920 7.536 1.00 0.00 O ATOM 114 CB ALA A 34 2.740 -6.731 6.135 1.00 0.00 C ATOM 0 H ALA A 34 3.549 -7.427 8.491 1.00 0.00 H new ATOM 0 HA ALA A 34 1.337 -5.674 7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.075 -6.720 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.442 -5.900 6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.291 -7.671 6.156 1.00 0.00 H new ATOM 120 N VAL A 35 -0.387 -7.304 7.412 1.00 0.00 N ATOM 121 CA VAL A 35 -1.539 -8.255 7.375 1.00 0.00 C ATOM 122 C VAL A 35 -2.330 -7.889 6.104 1.00 0.00 C ATOM 123 O VAL A 35 -2.561 -6.717 5.854 1.00 0.00 O ATOM 124 CB VAL A 35 -2.351 -8.004 8.667 1.00 0.00 C ATOM 125 CG1 VAL A 35 -3.712 -8.731 8.619 1.00 0.00 C ATOM 126 CG2 VAL A 35 -1.542 -8.494 9.875 1.00 0.00 C ATOM 0 H VAL A 35 -0.657 -6.321 7.369 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.267 -9.310 7.339 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.543 -6.935 8.756 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.261 -8.537 9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.289 -8.367 7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.548 -9.803 8.514 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.110 -8.319 10.789 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.342 -9.560 9.771 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.598 -7.951 9.925 1.00 0.00 H new ATOM 136 N LEU A 36 -2.670 -8.852 5.261 1.00 0.00 N ATOM 137 CA LEU A 36 -3.356 -8.501 3.967 1.00 0.00 C ATOM 138 C LEU A 36 -4.680 -9.247 3.686 1.00 0.00 C ATOM 139 O LEU A 36 -4.746 -10.458 3.648 1.00 0.00 O ATOM 140 CB LEU A 36 -2.321 -8.846 2.885 1.00 0.00 C ATOM 141 CG LEU A 36 -2.318 -7.757 1.789 1.00 0.00 C ATOM 142 CD1 LEU A 36 -0.874 -7.377 1.435 1.00 0.00 C ATOM 143 CD2 LEU A 36 -3.036 -8.276 0.533 1.00 0.00 C ATOM 0 H LEU A 36 -2.504 -9.847 5.412 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.659 -7.454 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.330 -8.927 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.553 -9.816 2.445 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.841 -6.877 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.879 -6.609 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.370 -6.995 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.346 -8.257 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.030 -7.503 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.522 -9.162 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.066 -8.532 0.782 1.00 0.00 H new ATOM 155 N ASN A 37 -5.715 -8.468 3.418 1.00 0.00 N ATOM 156 CA ASN A 37 -7.097 -8.961 3.030 1.00 0.00 C ATOM 157 C ASN A 37 -7.863 -9.727 4.120 1.00 0.00 C ATOM 158 O ASN A 37 -8.846 -10.369 3.804 1.00 0.00 O ATOM 159 CB ASN A 37 -6.900 -9.885 1.809 1.00 0.00 C ATOM 160 CG ASN A 37 -6.148 -9.148 0.693 1.00 0.00 C ATOM 161 OD1 ASN A 37 -5.990 -7.943 0.739 1.00 0.00 O ATOM 162 ND2 ASN A 37 -5.675 -9.827 -0.315 1.00 0.00 N ATOM 0 H ASN A 37 -5.654 -7.450 3.455 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.711 -8.082 2.832 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.344 -10.774 2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.869 -10.223 1.441 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.174 -9.347 -1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.806 -10.838 -0.356 1.00 0.00 H new ATOM 169 N GLY A 38 -7.497 -9.622 5.378 1.00 0.00 N ATOM 170 CA GLY A 38 -8.270 -10.340 6.457 1.00 0.00 C ATOM 171 C GLY A 38 -7.359 -11.377 7.107 1.00 0.00 C ATOM 172 O GLY A 38 -7.265 -11.462 8.320 1.00 0.00 O ATOM 0 H GLY A 38 -6.702 -9.075 5.707 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.625 -9.629 7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.150 -10.824 6.033 1.00 0.00 H new ATOM 176 N LYS A 39 -6.647 -12.126 6.300 1.00 0.00 N ATOM 177 CA LYS A 39 -5.681 -13.123 6.842 1.00 0.00 C ATOM 178 C LYS A 39 -4.343 -12.416 6.802 1.00 0.00 C ATOM 179 O LYS A 39 -3.906 -11.992 5.740 1.00 0.00 O ATOM 180 CB LYS A 39 -5.717 -14.306 5.873 1.00 0.00 C ATOM 181 CG LYS A 39 -4.777 -15.405 6.376 1.00 0.00 C ATOM 182 CD LYS A 39 -4.722 -16.540 5.348 1.00 0.00 C ATOM 183 CE LYS A 39 -3.766 -17.627 5.840 1.00 0.00 C ATOM 184 NZ LYS A 39 -4.616 -18.564 6.622 1.00 0.00 N ATOM 0 H LYS A 39 -6.697 -12.086 5.282 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.890 -13.480 7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.733 -14.691 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.416 -13.983 4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.779 -14.998 6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.126 -15.786 7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.718 -16.957 5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.388 -16.156 4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.284 -18.135 5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.973 -17.205 6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.029 -19.338 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.057 -18.054 7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.358 -18.956 6.007 1.00 0.00 H new ATOM 198 N GLY A 40 -3.746 -12.185 7.950 1.00 0.00 N ATOM 199 CA GLY A 40 -2.498 -11.382 7.970 1.00 0.00 C ATOM 200 C GLY A 40 -1.248 -12.163 7.627 1.00 0.00 C ATOM 201 O GLY A 40 -0.751 -12.952 8.411 1.00 0.00 O ATOM 0 H GLY A 40 -4.070 -12.517 8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.600 -10.556 7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.378 -10.944 8.961 1.00 0.00 H new ATOM 205 N LEU A 41 -0.684 -11.849 6.488 1.00 0.00 N ATOM 206 CA LEU A 41 0.605 -12.451 6.096 1.00 0.00 C ATOM 207 C LEU A 41 1.587 -11.308 5.797 1.00 0.00 C ATOM 208 O LEU A 41 1.419 -10.587 4.826 1.00 0.00 O ATOM 209 CB LEU A 41 0.280 -13.284 4.836 1.00 0.00 C ATOM 210 CG LEU A 41 1.561 -13.769 4.128 1.00 0.00 C ATOM 211 CD1 LEU A 41 2.418 -14.600 5.086 1.00 0.00 C ATOM 212 CD2 LEU A 41 1.174 -14.629 2.922 1.00 0.00 C ATOM 0 H LEU A 41 -1.074 -11.192 5.812 1.00 0.00 H new ATOM 0 HA LEU A 41 1.061 -13.080 6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.329 -14.144 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.313 -12.684 4.146 1.00 0.00 H new ATOM 0 HG LEU A 41 2.136 -12.902 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.319 -14.935 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.697 -13.991 5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.850 -15.467 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.076 -14.975 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.595 -15.489 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.575 -14.037 2.230 1.00 0.00 H new ATOM 224 N GLY A 42 2.613 -11.165 6.592 1.00 0.00 N ATOM 225 CA GLY A 42 3.629 -10.110 6.343 1.00 0.00 C ATOM 226 C GLY A 42 4.206 -9.603 7.662 1.00 0.00 C ATOM 227 O GLY A 42 3.492 -9.116 8.507 1.00 0.00 O ATOM 0 H GLY A 42 2.790 -11.744 7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.429 -10.507 5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.177 -9.283 5.795 1.00 0.00 H new ATOM 231 N THR A 43 5.500 -9.702 7.822 1.00 0.00 N ATOM 232 CA THR A 43 6.168 -9.180 9.048 1.00 0.00 C ATOM 233 C THR A 43 7.516 -8.634 8.603 1.00 0.00 C ATOM 234 O THR A 43 8.358 -9.414 8.193 1.00 0.00 O ATOM 235 CB THR A 43 6.339 -10.390 9.969 1.00 0.00 C ATOM 236 OG1 THR A 43 5.095 -11.061 10.102 1.00 0.00 O ATOM 237 CG2 THR A 43 6.820 -9.926 11.345 1.00 0.00 C ATOM 0 H THR A 43 6.130 -10.129 7.144 1.00 0.00 H new ATOM 0 HA THR A 43 5.616 -8.394 9.564 1.00 0.00 H new ATOM 0 HB THR A 43 7.076 -11.070 9.541 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.203 -11.837 10.690 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.941 -10.790 11.999 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.776 -9.412 11.242 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.087 -9.245 11.776 1.00 0.00 H new ATOM 245 N GLY A 44 7.741 -7.327 8.646 1.00 0.00 N ATOM 246 CA GLY A 44 9.060 -6.809 8.163 1.00 0.00 C ATOM 247 C GLY A 44 9.188 -5.298 8.267 1.00 0.00 C ATOM 248 O GLY A 44 8.915 -4.685 9.287 1.00 0.00 O ATOM 0 H GLY A 44 7.085 -6.624 8.985 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.859 -7.275 8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.201 -7.108 7.124 1.00 0.00 H new ATOM 252 N THR A 45 9.668 -4.718 7.204 1.00 0.00 N ATOM 253 CA THR A 45 9.909 -3.245 7.177 1.00 0.00 C ATOM 254 C THR A 45 9.091 -2.570 6.081 1.00 0.00 C ATOM 255 O THR A 45 8.892 -3.126 5.013 1.00 0.00 O ATOM 256 CB THR A 45 11.405 -3.101 6.881 1.00 0.00 C ATOM 257 OG1 THR A 45 11.697 -3.730 5.638 1.00 0.00 O ATOM 258 CG2 THR A 45 12.224 -3.761 7.995 1.00 0.00 C ATOM 0 H THR A 45 9.907 -5.206 6.341 1.00 0.00 H new ATOM 0 HA THR A 45 9.616 -2.773 8.115 1.00 0.00 H new ATOM 0 HB THR A 45 11.664 -2.044 6.830 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.610 -3.077 4.913 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.287 -3.654 7.777 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.998 -3.279 8.947 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.970 -4.819 8.055 1.00 0.00 H new ATOM 266 N LEU A 46 8.642 -1.365 6.332 1.00 0.00 N ATOM 267 CA LEU A 46 7.859 -0.616 5.308 1.00 0.00 C ATOM 268 C LEU A 46 8.658 0.601 4.837 1.00 0.00 C ATOM 269 O LEU A 46 9.012 1.457 5.628 1.00 0.00 O ATOM 270 CB LEU A 46 6.583 -0.172 6.026 1.00 0.00 C ATOM 271 CG LEU A 46 5.668 0.546 5.032 1.00 0.00 C ATOM 272 CD1 LEU A 46 4.206 0.386 5.463 1.00 0.00 C ATOM 273 CD2 LEU A 46 6.030 2.026 4.980 1.00 0.00 C ATOM 0 H LEU A 46 8.787 -0.867 7.210 1.00 0.00 H new ATOM 0 HA LEU A 46 7.638 -1.221 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.071 -1.036 6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.830 0.491 6.855 1.00 0.00 H new ATOM 0 HG LEU A 46 5.799 0.108 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.559 0.899 4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.948 -0.673 5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.070 0.818 6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.377 2.536 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.905 2.466 5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.067 2.136 4.662 1.00 0.00 H new ATOM 285 N TYR A 47 8.924 0.691 3.553 1.00 0.00 N ATOM 286 CA TYR A 47 9.684 1.871 3.018 1.00 0.00 C ATOM 287 C TYR A 47 8.764 2.717 2.148 1.00 0.00 C ATOM 288 O TYR A 47 8.154 2.212 1.220 1.00 0.00 O ATOM 289 CB TYR A 47 10.849 1.340 2.161 1.00 0.00 C ATOM 290 CG TYR A 47 11.640 0.270 2.892 1.00 0.00 C ATOM 291 CD1 TYR A 47 11.277 -1.076 2.766 1.00 0.00 C ATOM 292 CD2 TYR A 47 12.735 0.629 3.685 1.00 0.00 C ATOM 293 CE1 TYR A 47 12.009 -2.063 3.433 1.00 0.00 C ATOM 294 CE2 TYR A 47 13.468 -0.359 4.355 1.00 0.00 C ATOM 295 CZ TYR A 47 13.104 -1.705 4.226 1.00 0.00 C ATOM 296 OH TYR A 47 13.827 -2.679 4.884 1.00 0.00 O ATOM 0 H TYR A 47 8.649 0.001 2.854 1.00 0.00 H new ATOM 0 HA TYR A 47 10.060 2.482 3.838 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.459 0.931 1.229 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.511 2.164 1.895 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.431 -1.352 2.154 1.00 0.00 H new ATOM 0 HD2 TYR A 47 13.015 1.668 3.781 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.729 -3.102 3.336 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.312 -0.083 4.970 1.00 0.00 H new ATOM 0 HH TYR A 47 13.242 -3.438 5.089 1.00 0.00 H new ATOM 306 N ILE A 48 8.677 3.996 2.424 1.00 0.00 N ATOM 307 CA ILE A 48 7.815 4.885 1.595 1.00 0.00 C ATOM 308 C ILE A 48 8.698 5.631 0.599 1.00 0.00 C ATOM 309 O ILE A 48 9.632 6.316 0.980 1.00 0.00 O ATOM 310 CB ILE A 48 7.145 5.843 2.592 1.00 0.00 C ATOM 311 CG1 ILE A 48 6.254 5.039 3.554 1.00 0.00 C ATOM 312 CG2 ILE A 48 6.283 6.870 1.841 1.00 0.00 C ATOM 313 CD1 ILE A 48 6.388 5.593 4.971 1.00 0.00 C ATOM 0 H ILE A 48 9.167 4.460 3.189 1.00 0.00 H new ATOM 0 HA ILE A 48 7.063 4.347 1.019 1.00 0.00 H new ATOM 0 HB ILE A 48 7.918 6.368 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.214 5.091 3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.541 3.988 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.813 7.544 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.912 7.445 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.512 6.351 1.271 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.754 5.019 5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.426 5.517 5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.079 6.638 4.984 1.00 0.00 H new ATOM 325 N ALA A 49 8.396 5.503 -0.664 1.00 0.00 N ATOM 326 CA ALA A 49 9.192 6.196 -1.711 1.00 0.00 C ATOM 327 C ALA A 49 8.476 7.480 -2.110 1.00 0.00 C ATOM 328 O ALA A 49 7.261 7.522 -2.181 1.00 0.00 O ATOM 329 CB ALA A 49 9.258 5.214 -2.881 1.00 0.00 C ATOM 0 H ALA A 49 7.622 4.940 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 49 10.192 6.472 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.832 5.656 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.741 4.292 -2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.249 4.992 -3.227 1.00 0.00 H new ATOM 335 N GLU A 50 9.213 8.538 -2.358 1.00 0.00 N ATOM 336 CA GLU A 50 8.578 9.855 -2.744 1.00 0.00 C ATOM 337 C GLU A 50 7.511 9.688 -3.848 1.00 0.00 C ATOM 338 O GLU A 50 6.598 10.488 -3.956 1.00 0.00 O ATOM 339 CB GLU A 50 9.734 10.718 -3.249 1.00 0.00 C ATOM 340 CG GLU A 50 9.227 12.130 -3.555 1.00 0.00 C ATOM 341 CD GLU A 50 10.351 12.952 -4.187 1.00 0.00 C ATOM 342 OE1 GLU A 50 11.276 13.300 -3.473 1.00 0.00 O ATOM 343 OE2 GLU A 50 10.270 13.217 -5.375 1.00 0.00 O ATOM 0 H GLU A 50 10.232 8.553 -2.311 1.00 0.00 H new ATOM 0 HA GLU A 50 8.057 10.300 -1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.524 10.759 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.167 10.274 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.373 12.082 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.882 12.610 -2.639 1.00 0.00 H new ATOM 350 N SER A 51 7.621 8.653 -4.655 1.00 0.00 N ATOM 351 CA SER A 51 6.615 8.427 -5.745 1.00 0.00 C ATOM 352 C SER A 51 6.174 6.955 -5.793 1.00 0.00 C ATOM 353 O SER A 51 5.691 6.486 -6.808 1.00 0.00 O ATOM 354 CB SER A 51 7.340 8.808 -7.034 1.00 0.00 C ATOM 355 OG SER A 51 8.259 7.778 -7.380 1.00 0.00 O ATOM 0 H SER A 51 8.364 7.956 -4.604 1.00 0.00 H new ATOM 0 HA SER A 51 5.710 9.014 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.620 8.955 -7.840 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.868 9.753 -6.902 1.00 0.00 H new ATOM 0 HG SER A 51 8.724 8.019 -8.208 1.00 0.00 H new ATOM 361 N ARG A 52 6.339 6.223 -4.709 1.00 0.00 N ATOM 362 CA ARG A 52 5.931 4.776 -4.691 1.00 0.00 C ATOM 363 C ARG A 52 6.039 4.218 -3.267 1.00 0.00 C ATOM 364 O ARG A 52 6.580 4.864 -2.392 1.00 0.00 O ATOM 365 CB ARG A 52 6.932 4.068 -5.611 1.00 0.00 C ATOM 366 CG ARG A 52 6.229 2.932 -6.360 1.00 0.00 C ATOM 367 CD ARG A 52 7.264 2.117 -7.140 1.00 0.00 C ATOM 368 NE ARG A 52 7.707 3.012 -8.245 1.00 0.00 N ATOM 369 CZ ARG A 52 8.102 2.503 -9.379 1.00 0.00 C ATOM 370 NH1 ARG A 52 7.242 1.909 -10.162 1.00 0.00 N ATOM 371 NH2 ARG A 52 9.355 2.583 -9.731 1.00 0.00 N ATOM 0 H ARG A 52 6.739 6.567 -3.836 1.00 0.00 H new ATOM 0 HA ARG A 52 4.901 4.635 -5.019 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.354 4.779 -6.321 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.762 3.672 -5.026 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.701 2.290 -5.655 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.482 3.339 -7.042 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.102 1.831 -6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.830 1.196 -7.528 1.00 0.00 H new ATOM 0 HE ARG A 52 7.701 4.024 -8.115 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.262 1.843 -9.887 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.550 1.511 -11.049 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.028 3.044 -9.119 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.662 2.184 -10.618 1.00 0.00 H new ATOM 385 N LEU A 53 5.541 3.022 -3.036 1.00 0.00 N ATOM 386 CA LEU A 53 5.632 2.411 -1.668 1.00 0.00 C ATOM 387 C LEU A 53 6.363 1.069 -1.758 1.00 0.00 C ATOM 388 O LEU A 53 5.984 0.209 -2.531 1.00 0.00 O ATOM 389 CB LEU A 53 4.184 2.207 -1.212 1.00 0.00 C ATOM 390 CG LEU A 53 4.061 2.542 0.280 1.00 0.00 C ATOM 391 CD1 LEU A 53 2.643 3.037 0.577 1.00 0.00 C ATOM 392 CD2 LEU A 53 4.347 1.291 1.117 1.00 0.00 C ATOM 0 H LEU A 53 5.076 2.444 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 53 6.182 3.039 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.516 2.842 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.878 1.176 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 53 4.781 3.320 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.555 3.275 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.438 3.930 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.925 2.259 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.259 1.534 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.630 0.511 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.357 0.937 0.909 1.00 0.00 H new ATOM 404 N SER A 54 7.408 0.888 -0.980 1.00 0.00 N ATOM 405 CA SER A 54 8.173 -0.398 -1.026 1.00 0.00 C ATOM 406 C SER A 54 8.104 -1.120 0.322 1.00 0.00 C ATOM 407 O SER A 54 8.496 -0.588 1.338 1.00 0.00 O ATOM 408 CB SER A 54 9.613 0.010 -1.336 1.00 0.00 C ATOM 409 OG SER A 54 9.691 0.464 -2.681 1.00 0.00 O ATOM 0 H SER A 54 7.762 1.577 -0.316 1.00 0.00 H new ATOM 0 HA SER A 54 7.768 -1.085 -1.769 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.935 0.797 -0.655 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.284 -0.836 -1.186 1.00 0.00 H new ATOM 0 HG SER A 54 10.613 0.728 -2.884 1.00 0.00 H new ATOM 415 N TRP A 55 7.607 -2.336 0.322 1.00 0.00 N ATOM 416 CA TRP A 55 7.505 -3.123 1.591 1.00 0.00 C ATOM 417 C TRP A 55 8.354 -4.396 1.497 1.00 0.00 C ATOM 418 O TRP A 55 8.456 -4.998 0.443 1.00 0.00 O ATOM 419 CB TRP A 55 6.025 -3.477 1.734 1.00 0.00 C ATOM 420 CG TRP A 55 5.642 -3.435 3.180 1.00 0.00 C ATOM 421 CD1 TRP A 55 5.095 -2.370 3.793 1.00 0.00 C ATOM 422 CD2 TRP A 55 5.774 -4.474 4.197 1.00 0.00 C ATOM 423 NE1 TRP A 55 4.879 -2.684 5.125 1.00 0.00 N ATOM 424 CE2 TRP A 55 5.281 -3.965 5.421 1.00 0.00 C ATOM 425 CE3 TRP A 55 6.265 -5.790 4.183 1.00 0.00 C ATOM 426 CZ2 TRP A 55 5.272 -4.730 6.585 1.00 0.00 C ATOM 427 CZ3 TRP A 55 6.255 -6.564 5.355 1.00 0.00 C ATOM 428 CH2 TRP A 55 5.760 -6.033 6.552 1.00 0.00 C ATOM 0 H TRP A 55 7.266 -2.819 -0.509 1.00 0.00 H new ATOM 0 HA TRP A 55 7.870 -2.559 2.449 1.00 0.00 H new ATOM 0 HB2 TRP A 55 5.415 -2.776 1.164 1.00 0.00 H new ATOM 0 HB3 TRP A 55 5.836 -4.469 1.325 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.862 -1.425 3.324 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.471 -2.042 5.804 1.00 0.00 H new ATOM 0 HE3 TRP A 55 6.652 -6.209 3.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.889 -4.315 7.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.632 -7.576 5.333 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.757 -6.634 7.449 1.00 0.00 H new ATOM 439 N LEU A 56 8.962 -4.802 2.589 1.00 0.00 N ATOM 440 CA LEU A 56 9.810 -6.037 2.569 1.00 0.00 C ATOM 441 C LEU A 56 9.274 -7.074 3.575 1.00 0.00 C ATOM 442 O LEU A 56 9.057 -6.769 4.745 1.00 0.00 O ATOM 443 CB LEU A 56 11.214 -5.525 2.953 1.00 0.00 C ATOM 444 CG LEU A 56 12.296 -6.643 2.988 1.00 0.00 C ATOM 445 CD1 LEU A 56 12.147 -7.457 4.258 1.00 0.00 C ATOM 446 CD2 LEU A 56 12.200 -7.592 1.781 1.00 0.00 C ATOM 0 H LEU A 56 8.907 -4.331 3.492 1.00 0.00 H new ATOM 0 HA LEU A 56 9.814 -6.546 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.519 -4.758 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.163 -5.049 3.932 1.00 0.00 H new ATOM 0 HG LEU A 56 13.267 -6.149 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.906 -8.239 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.271 -6.807 5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.157 -7.911 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.977 -8.353 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.221 -8.072 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.334 -7.024 0.860 1.00 0.00 H new ATOM 458 N ASP A 57 9.076 -8.301 3.117 1.00 0.00 N ATOM 459 CA ASP A 57 8.560 -9.393 4.007 1.00 0.00 C ATOM 460 C ASP A 57 9.698 -10.074 4.784 1.00 0.00 C ATOM 461 O ASP A 57 10.768 -10.354 4.260 1.00 0.00 O ATOM 462 CB ASP A 57 7.859 -10.392 3.086 1.00 0.00 C ATOM 463 CG ASP A 57 6.769 -11.129 3.866 1.00 0.00 C ATOM 464 OD1 ASP A 57 7.114 -12.008 4.639 1.00 0.00 O ATOM 465 OD2 ASP A 57 5.610 -10.802 3.677 1.00 0.00 O ATOM 0 H ASP A 57 9.254 -8.588 2.154 1.00 0.00 H new ATOM 0 HA ASP A 57 7.879 -8.992 4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.422 -9.872 2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.581 -11.105 2.688 1.00 0.00 H new ATOM 470 N GLY A 58 9.435 -10.338 6.042 1.00 0.00 N ATOM 471 CA GLY A 58 10.420 -10.975 6.972 1.00 0.00 C ATOM 472 C GLY A 58 10.948 -12.336 6.489 1.00 0.00 C ATOM 473 O GLY A 58 11.906 -12.842 7.049 1.00 0.00 O ATOM 0 H GLY A 58 8.538 -10.128 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.263 -10.298 7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.952 -11.104 7.948 1.00 0.00 H new ATOM 477 N SER A 59 10.358 -12.935 5.473 1.00 0.00 N ATOM 478 CA SER A 59 10.857 -14.263 4.980 1.00 0.00 C ATOM 479 C SER A 59 11.985 -14.087 3.946 1.00 0.00 C ATOM 480 O SER A 59 12.288 -15.004 3.205 1.00 0.00 O ATOM 481 CB SER A 59 9.641 -14.922 4.334 1.00 0.00 C ATOM 482 OG SER A 59 9.378 -14.300 3.084 1.00 0.00 O ATOM 0 H SER A 59 9.555 -12.561 4.967 1.00 0.00 H new ATOM 0 HA SER A 59 11.276 -14.861 5.789 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.823 -15.987 4.192 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.774 -14.831 4.988 1.00 0.00 H new ATOM 0 HG SER A 59 8.452 -14.480 2.817 1.00 0.00 H new ATOM 488 N GLY A 60 12.593 -12.916 3.872 1.00 0.00 N ATOM 489 CA GLY A 60 13.675 -12.677 2.876 1.00 0.00 C ATOM 490 C GLY A 60 13.069 -12.380 1.509 1.00 0.00 C ATOM 491 O GLY A 60 13.709 -12.567 0.488 1.00 0.00 O ATOM 0 H GLY A 60 12.377 -12.117 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.297 -11.841 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.323 -13.551 2.814 1.00 0.00 H new ATOM 495 N LEU A 61 11.844 -11.915 1.486 1.00 0.00 N ATOM 496 CA LEU A 61 11.176 -11.594 0.196 1.00 0.00 C ATOM 497 C LEU A 61 10.542 -10.221 0.314 1.00 0.00 C ATOM 498 O LEU A 61 9.848 -9.952 1.273 1.00 0.00 O ATOM 499 CB LEU A 61 10.105 -12.674 0.010 1.00 0.00 C ATOM 500 CG LEU A 61 10.757 -14.062 -0.026 1.00 0.00 C ATOM 501 CD1 LEU A 61 9.665 -15.132 -0.111 1.00 0.00 C ATOM 502 CD2 LEU A 61 11.679 -14.170 -1.248 1.00 0.00 C ATOM 0 H LEU A 61 11.277 -11.744 2.316 1.00 0.00 H new ATOM 0 HA LEU A 61 11.863 -11.578 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.382 -12.624 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.556 -12.497 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 61 11.345 -14.210 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.125 -16.120 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.014 -15.057 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.078 -14.981 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.140 -15.157 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.097 -14.021 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.456 -13.408 -1.186 1.00 0.00 H new ATOM 514 N GLY A 62 10.781 -9.354 -0.633 1.00 0.00 N ATOM 515 CA GLY A 62 10.188 -7.991 -0.561 1.00 0.00 C ATOM 516 C GLY A 62 9.387 -7.700 -1.811 1.00 0.00 C ATOM 517 O GLY A 62 9.504 -8.382 -2.813 1.00 0.00 O ATOM 0 H GLY A 62 11.361 -9.532 -1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.547 -7.912 0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.978 -7.249 -0.446 1.00 0.00 H new ATOM 521 N PHE A 63 8.588 -6.672 -1.752 1.00 0.00 N ATOM 522 CA PHE A 63 7.776 -6.274 -2.948 1.00 0.00 C ATOM 523 C PHE A 63 7.484 -4.775 -2.932 1.00 0.00 C ATOM 524 O PHE A 63 7.415 -4.150 -1.889 1.00 0.00 O ATOM 525 CB PHE A 63 6.464 -7.107 -2.998 1.00 0.00 C ATOM 526 CG PHE A 63 5.874 -7.478 -1.639 1.00 0.00 C ATOM 527 CD1 PHE A 63 6.042 -6.669 -0.506 1.00 0.00 C ATOM 528 CD2 PHE A 63 5.120 -8.656 -1.539 1.00 0.00 C ATOM 529 CE1 PHE A 63 5.456 -7.040 0.716 1.00 0.00 C ATOM 530 CE2 PHE A 63 4.539 -9.027 -0.323 1.00 0.00 C ATOM 531 CZ PHE A 63 4.703 -8.220 0.804 1.00 0.00 C ATOM 0 H PHE A 63 8.458 -6.085 -0.928 1.00 0.00 H new ATOM 0 HA PHE A 63 8.350 -6.484 -3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 63 5.717 -6.545 -3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.656 -8.024 -3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.622 -5.760 -0.573 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.987 -9.282 -2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.585 -6.416 1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.963 -9.938 -0.255 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.251 -8.504 1.743 1.00 0.00 H new ATOM 541 N SER A 64 7.342 -4.194 -4.103 1.00 0.00 N ATOM 542 CA SER A 64 7.081 -2.731 -4.197 1.00 0.00 C ATOM 543 C SER A 64 5.691 -2.461 -4.775 1.00 0.00 C ATOM 544 O SER A 64 5.297 -3.046 -5.767 1.00 0.00 O ATOM 545 CB SER A 64 8.161 -2.199 -5.136 1.00 0.00 C ATOM 546 OG SER A 64 7.959 -2.739 -6.437 1.00 0.00 O ATOM 0 H SER A 64 7.397 -4.679 -4.999 1.00 0.00 H new ATOM 0 HA SER A 64 7.109 -2.250 -3.219 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.124 -1.110 -5.172 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.149 -2.473 -4.765 1.00 0.00 H new ATOM 0 HG SER A 64 7.055 -3.113 -6.499 1.00 0.00 H new ATOM 552 N LEU A 65 4.958 -1.567 -4.158 1.00 0.00 N ATOM 553 CA LEU A 65 3.591 -1.225 -4.656 1.00 0.00 C ATOM 554 C LEU A 65 3.661 0.056 -5.493 1.00 0.00 C ATOM 555 O LEU A 65 3.923 1.133 -4.977 1.00 0.00 O ATOM 556 CB LEU A 65 2.743 -1.008 -3.395 1.00 0.00 C ATOM 557 CG LEU A 65 2.736 -2.281 -2.537 1.00 0.00 C ATOM 558 CD1 LEU A 65 1.972 -2.020 -1.238 1.00 0.00 C ATOM 559 CD2 LEU A 65 2.059 -3.419 -3.305 1.00 0.00 C ATOM 0 H LEU A 65 5.251 -1.056 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 65 3.166 -2.004 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.142 -0.174 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.723 -0.743 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 65 3.763 -2.562 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.968 -2.925 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.457 -1.214 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.946 -1.735 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.056 -4.320 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.033 -3.138 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.605 -3.610 -4.229 1.00 0.00 H new ATOM 654 N SER A 71 -8.027 2.404 0.673 1.00 0.00 N ATOM 655 CA SER A 71 -9.431 2.874 0.467 1.00 0.00 C ATOM 656 C SER A 71 -10.009 3.336 1.809 1.00 0.00 C ATOM 657 O SER A 71 -10.167 4.523 2.041 1.00 0.00 O ATOM 658 CB SER A 71 -10.182 1.658 -0.085 1.00 0.00 C ATOM 659 OG SER A 71 -11.574 1.786 0.188 1.00 0.00 O ATOM 0 HA SER A 71 -9.506 3.719 -0.217 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.019 1.575 -1.160 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.796 0.744 0.367 1.00 0.00 H new ATOM 0 HG SER A 71 -12.050 1.007 -0.168 1.00 0.00 H new ATOM 665 N LEU A 72 -10.303 2.412 2.697 1.00 0.00 N ATOM 666 CA LEU A 72 -10.844 2.792 4.036 1.00 0.00 C ATOM 667 C LEU A 72 -9.731 2.635 5.070 1.00 0.00 C ATOM 668 O LEU A 72 -9.477 1.543 5.510 1.00 0.00 O ATOM 669 CB LEU A 72 -11.995 1.796 4.288 1.00 0.00 C ATOM 670 CG LEU A 72 -12.694 2.048 5.642 1.00 0.00 C ATOM 671 CD1 LEU A 72 -14.046 1.335 5.635 1.00 0.00 C ATOM 672 CD2 LEU A 72 -11.870 1.484 6.806 1.00 0.00 C ATOM 0 H LEU A 72 -10.190 1.409 2.547 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.198 3.821 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.725 1.875 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.605 0.778 4.265 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.808 3.124 5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.552 1.504 6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.659 1.726 4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.893 0.266 5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.388 1.677 7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.744 0.409 6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.892 1.964 6.826 1.00 0.00 H new ATOM 684 N HIS A 73 -9.050 3.706 5.431 1.00 0.00 N ATOM 685 CA HIS A 73 -7.922 3.597 6.406 1.00 0.00 C ATOM 686 C HIS A 73 -8.310 4.135 7.789 1.00 0.00 C ATOM 687 O HIS A 73 -8.750 5.257 7.948 1.00 0.00 O ATOM 688 CB HIS A 73 -6.782 4.433 5.797 1.00 0.00 C ATOM 689 CG HIS A 73 -7.208 5.869 5.616 1.00 0.00 C ATOM 690 ND1 HIS A 73 -7.813 6.323 4.455 1.00 0.00 N ATOM 691 CD2 HIS A 73 -7.116 6.963 6.442 1.00 0.00 C ATOM 692 CE1 HIS A 73 -8.061 7.636 4.612 1.00 0.00 C ATOM 693 NE2 HIS A 73 -7.655 8.077 5.807 1.00 0.00 N ATOM 0 H HIS A 73 -9.232 4.649 5.088 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.635 2.557 6.563 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.906 4.388 6.444 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.490 4.012 4.835 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.690 6.959 7.434 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.531 8.258 3.864 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.725 9.026 6.174 1.00 0.00 H new ATOM 701 N ALA A 74 -8.130 3.307 8.784 1.00 0.00 N ATOM 702 CA ALA A 74 -8.455 3.683 10.181 1.00 0.00 C ATOM 703 C ALA A 74 -7.175 4.104 10.900 1.00 0.00 C ATOM 704 O ALA A 74 -6.244 3.320 11.045 1.00 0.00 O ATOM 705 CB ALA A 74 -9.023 2.404 10.808 1.00 0.00 C ATOM 0 H ALA A 74 -7.761 2.362 8.678 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.158 4.514 10.245 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.290 2.596 11.847 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.910 2.091 10.257 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.273 1.614 10.766 1.00 0.00 H new ATOM 711 N VAL A 75 -7.127 5.334 11.336 1.00 0.00 N ATOM 712 CA VAL A 75 -5.920 5.848 12.045 1.00 0.00 C ATOM 713 C VAL A 75 -6.356 6.718 13.230 1.00 0.00 C ATOM 714 O VAL A 75 -7.229 7.559 13.098 1.00 0.00 O ATOM 715 CB VAL A 75 -5.171 6.684 10.995 1.00 0.00 C ATOM 716 CG1 VAL A 75 -3.908 7.290 11.613 1.00 0.00 C ATOM 717 CG2 VAL A 75 -4.770 5.794 9.815 1.00 0.00 C ATOM 0 H VAL A 75 -7.882 6.012 11.230 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.291 5.053 12.445 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.827 7.482 10.649 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.383 7.881 10.862 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.184 7.930 12.451 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.256 6.491 11.966 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.239 6.391 9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.121 4.993 10.168 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.664 5.364 9.363 1.00 0.00 H new ATOM 876 N GLU A 85 0.401 1.440 18.292 1.00 0.00 N ATOM 877 CA GLU A 85 -0.302 2.188 17.200 1.00 0.00 C ATOM 878 C GLU A 85 -0.666 1.217 16.070 1.00 0.00 C ATOM 879 O GLU A 85 -0.022 0.195 15.903 1.00 0.00 O ATOM 880 CB GLU A 85 0.698 3.251 16.723 1.00 0.00 C ATOM 881 CG GLU A 85 1.989 2.586 16.216 1.00 0.00 C ATOM 882 CD GLU A 85 3.103 2.736 17.257 1.00 0.00 C ATOM 883 OE1 GLU A 85 3.453 3.863 17.563 1.00 0.00 O ATOM 884 OE2 GLU A 85 3.586 1.720 17.728 1.00 0.00 O ATOM 0 HA GLU A 85 -1.230 2.650 17.535 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.252 3.847 15.927 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.930 3.933 17.541 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.808 1.530 16.015 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.297 3.042 15.275 1.00 0.00 H new ATOM 891 N HIS A 86 -1.703 1.510 15.310 1.00 0.00 N ATOM 892 CA HIS A 86 -2.117 0.573 14.206 1.00 0.00 C ATOM 893 C HIS A 86 -2.661 1.347 12.992 1.00 0.00 C ATOM 894 O HIS A 86 -3.530 2.189 13.137 1.00 0.00 O ATOM 895 CB HIS A 86 -3.260 -0.293 14.790 1.00 0.00 C ATOM 896 CG HIS A 86 -2.879 -0.925 16.117 1.00 0.00 C ATOM 897 ND1 HIS A 86 -2.815 -0.192 17.292 1.00 0.00 N ATOM 898 CD2 HIS A 86 -2.572 -2.218 16.469 1.00 0.00 C ATOM 899 CE1 HIS A 86 -2.485 -1.039 18.283 1.00 0.00 C ATOM 900 NE2 HIS A 86 -2.323 -2.286 17.835 1.00 0.00 N ATOM 0 H HIS A 86 -2.275 2.349 15.405 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.264 -0.018 13.870 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.148 0.324 14.925 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.521 -1.076 14.078 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.531 -3.055 15.787 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -2.366 -0.746 19.316 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -2.071 -3.112 18.378 1.00 0.00 H new ATOM 908 N LEU A 87 -2.201 1.025 11.792 1.00 0.00 N ATOM 909 CA LEU A 87 -2.747 1.702 10.571 1.00 0.00 C ATOM 910 C LEU A 87 -3.529 0.653 9.784 1.00 0.00 C ATOM 911 O LEU A 87 -2.960 -0.168 9.087 1.00 0.00 O ATOM 912 CB LEU A 87 -1.537 2.213 9.781 1.00 0.00 C ATOM 913 CG LEU A 87 -2.019 3.093 8.617 1.00 0.00 C ATOM 914 CD1 LEU A 87 -1.059 4.266 8.425 1.00 0.00 C ATOM 915 CD2 LEU A 87 -2.065 2.266 7.327 1.00 0.00 C ATOM 0 H LEU A 87 -1.478 0.328 11.614 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.412 2.536 10.795 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.878 2.785 10.434 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.957 1.373 9.400 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.016 3.469 8.846 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.404 4.887 7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.025 4.861 9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.062 3.887 8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.407 2.894 6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.068 1.886 7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.752 1.430 7.455 1.00 0.00 H new ATOM 927 N TYR A 88 -4.828 0.649 9.934 1.00 0.00 N ATOM 928 CA TYR A 88 -5.664 -0.388 9.246 1.00 0.00 C ATOM 929 C TYR A 88 -6.272 0.146 7.967 1.00 0.00 C ATOM 930 O TYR A 88 -7.047 1.078 8.056 1.00 0.00 O ATOM 931 CB TYR A 88 -6.808 -0.634 10.239 1.00 0.00 C ATOM 932 CG TYR A 88 -7.277 -2.056 10.158 1.00 0.00 C ATOM 933 CD1 TYR A 88 -6.674 -2.982 10.977 1.00 0.00 C ATOM 934 CD2 TYR A 88 -8.312 -2.445 9.293 1.00 0.00 C ATOM 935 CE1 TYR A 88 -7.072 -4.307 10.965 1.00 0.00 C ATOM 936 CE2 TYR A 88 -8.724 -3.782 9.265 1.00 0.00 C ATOM 937 CZ TYR A 88 -8.102 -4.718 10.106 1.00 0.00 C ATOM 938 OH TYR A 88 -8.504 -6.038 10.089 1.00 0.00 O ATOM 0 H TYR A 88 -5.349 1.317 10.502 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.077 -1.269 8.986 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.472 -0.413 11.252 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.636 0.041 10.023 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.879 -2.671 11.638 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.787 -1.717 8.653 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.591 -5.023 11.615 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.516 -4.092 8.600 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.228 -6.151 9.438 1.00 0.00 H new ATOM 948 N VAL A 89 -6.013 -0.440 6.789 1.00 0.00 N ATOM 949 CA VAL A 89 -6.719 0.098 5.570 1.00 0.00 C ATOM 950 C VAL A 89 -7.404 -1.017 4.776 1.00 0.00 C ATOM 951 O VAL A 89 -6.806 -1.981 4.351 1.00 0.00 O ATOM 952 CB VAL A 89 -5.732 0.969 4.755 1.00 0.00 C ATOM 953 CG1 VAL A 89 -4.951 1.907 5.696 1.00 0.00 C ATOM 954 CG2 VAL A 89 -4.699 0.144 4.046 1.00 0.00 C ATOM 0 H VAL A 89 -5.378 -1.223 6.635 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.541 0.750 5.866 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.338 1.516 4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.260 2.515 5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.649 2.557 6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.391 1.314 6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.030 0.799 3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.124 -0.425 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.192 -0.543 3.358 1.00 0.00 H new ATOM 964 N MET A 90 -8.695 -0.892 4.617 1.00 0.00 N ATOM 965 CA MET A 90 -9.490 -1.948 3.921 1.00 0.00 C ATOM 966 C MET A 90 -9.796 -1.540 2.484 1.00 0.00 C ATOM 967 O MET A 90 -10.210 -0.426 2.223 1.00 0.00 O ATOM 968 CB MET A 90 -10.768 -2.059 4.759 1.00 0.00 C ATOM 969 CG MET A 90 -10.430 -2.476 6.206 1.00 0.00 C ATOM 970 SD MET A 90 -11.741 -1.885 7.311 1.00 0.00 S ATOM 971 CE MET A 90 -11.893 -3.371 8.334 1.00 0.00 C ATOM 0 H MET A 90 -9.240 -0.094 4.944 1.00 0.00 H new ATOM 0 HA MET A 90 -8.961 -2.898 3.847 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.292 -1.103 4.763 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.441 -2.790 4.311 1.00 0.00 H new ATOM 0 HG2 MET A 90 -10.340 -3.560 6.274 1.00 0.00 H new ATOM 0 HG3 MET A 90 -9.469 -2.057 6.504 1.00 0.00 H new ATOM 0 HE1 MET A 90 -12.934 -3.692 8.357 1.00 0.00 H new ATOM 0 HE2 MET A 90 -11.278 -4.166 7.914 1.00 0.00 H new ATOM 0 HE3 MET A 90 -11.559 -3.151 9.348 1.00 0.00 H new ATOM 981 N VAL A 91 -9.587 -2.442 1.551 1.00 0.00 N ATOM 982 CA VAL A 91 -9.851 -2.123 0.114 1.00 0.00 C ATOM 983 C VAL A 91 -10.724 -3.207 -0.533 1.00 0.00 C ATOM 984 O VAL A 91 -10.646 -4.375 -0.190 1.00 0.00 O ATOM 985 CB VAL A 91 -8.458 -2.060 -0.536 1.00 0.00 C ATOM 986 CG1 VAL A 91 -7.745 -3.409 -0.394 1.00 0.00 C ATOM 987 CG2 VAL A 91 -8.599 -1.715 -2.022 1.00 0.00 C ATOM 0 H VAL A 91 -9.244 -3.387 1.726 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.397 -1.188 -0.010 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.870 -1.291 -0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.760 -3.351 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.634 -3.653 0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.332 -4.185 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.611 -1.671 -2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.196 -2.480 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.091 -0.748 -2.126 1.00 0.00 H new ATOM 997 N ASN A 92 -11.549 -2.813 -1.473 1.00 0.00 N ATOM 998 CA ASN A 92 -12.437 -3.795 -2.170 1.00 0.00 C ATOM 999 C ASN A 92 -11.769 -4.287 -3.460 1.00 0.00 C ATOM 1000 O ASN A 92 -11.174 -3.512 -4.192 1.00 0.00 O ATOM 1001 CB ASN A 92 -13.735 -3.031 -2.477 1.00 0.00 C ATOM 1002 CG ASN A 92 -13.446 -1.814 -3.365 1.00 0.00 C ATOM 1003 OD1 ASN A 92 -13.096 -1.960 -4.520 1.00 0.00 O ATOM 1004 ND2 ASN A 92 -13.581 -0.614 -2.871 1.00 0.00 N ATOM 0 H ASN A 92 -11.646 -1.848 -1.789 1.00 0.00 H new ATOM 0 HA ASN A 92 -12.633 -4.677 -1.561 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.444 -3.692 -2.976 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -14.202 -2.707 -1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -13.393 0.202 -3.454 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.875 -0.491 -1.902 1.00 0.00 H new ATOM 1011 N ALA A 93 -11.861 -5.566 -3.738 1.00 0.00 N ATOM 1012 CA ALA A 93 -11.237 -6.126 -4.975 1.00 0.00 C ATOM 1013 C ALA A 93 -12.257 -6.961 -5.753 1.00 0.00 C ATOM 1014 O ALA A 93 -13.144 -7.564 -5.175 1.00 0.00 O ATOM 1015 CB ALA A 93 -10.090 -7.006 -4.476 1.00 0.00 C ATOM 0 H ALA A 93 -12.345 -6.249 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.888 -5.345 -5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.579 -7.456 -5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.385 -6.398 -3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.487 -7.793 -3.835 1.00 0.00 H new ATOM 1320 N PRO A 115 -15.286 -10.864 -2.117 1.00 0.00 N ATOM 1321 CA PRO A 115 -15.696 -9.472 -2.445 1.00 0.00 C ATOM 1322 C PRO A 115 -14.640 -8.436 -2.015 1.00 0.00 C ATOM 1323 O PRO A 115 -13.831 -8.015 -2.824 1.00 0.00 O ATOM 1324 CB PRO A 115 -17.014 -9.293 -1.694 1.00 0.00 C ATOM 1325 CG PRO A 115 -16.972 -10.278 -0.567 1.00 0.00 C ATOM 1326 CD PRO A 115 -16.056 -11.405 -0.978 1.00 0.00 C ATOM 0 HA PRO A 115 -15.802 -9.314 -3.518 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -17.117 -8.274 -1.321 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -17.866 -9.481 -2.347 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -16.608 -9.802 0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -17.971 -10.656 -0.352 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -15.399 -11.700 -0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -16.622 -12.290 -1.267 1.00 0.00 H new ATOM 1334 N ILE A 116 -14.649 -8.006 -0.768 1.00 0.00 N ATOM 1335 CA ILE A 116 -13.655 -6.975 -0.311 1.00 0.00 C ATOM 1336 C ILE A 116 -12.620 -7.606 0.624 1.00 0.00 C ATOM 1337 O ILE A 116 -12.946 -8.437 1.450 1.00 0.00 O ATOM 1338 CB ILE A 116 -14.478 -5.911 0.436 1.00 0.00 C ATOM 1339 CG1 ILE A 116 -15.550 -5.331 -0.496 1.00 0.00 C ATOM 1340 CG2 ILE A 116 -13.560 -4.775 0.906 1.00 0.00 C ATOM 1341 CD1 ILE A 116 -16.475 -4.408 0.300 1.00 0.00 C ATOM 0 H ILE A 116 -15.300 -8.324 -0.051 1.00 0.00 H new ATOM 0 HA ILE A 116 -13.105 -6.545 -1.148 1.00 0.00 H new ATOM 0 HB ILE A 116 -14.954 -6.379 1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -15.079 -4.778 -1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -16.126 -6.137 -0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -14.150 -4.026 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -12.799 -5.176 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -13.078 -4.316 0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -17.236 -3.996 -0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -16.956 -4.975 1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -15.893 -3.595 0.733 1.00 0.00 H new ATOM 1353 N ALA A 117 -11.379 -7.202 0.499 1.00 0.00 N ATOM 1354 CA ALA A 117 -10.302 -7.756 1.374 1.00 0.00 C ATOM 1355 C ALA A 117 -9.852 -6.686 2.371 1.00 0.00 C ATOM 1356 O ALA A 117 -9.755 -5.516 2.022 1.00 0.00 O ATOM 1357 CB ALA A 117 -9.164 -8.119 0.415 1.00 0.00 C ATOM 0 H ALA A 117 -11.065 -6.506 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 117 -10.629 -8.619 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.330 -8.535 0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.517 -8.856 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -8.834 -7.224 -0.113 1.00 0.00 H new ATOM 1363 N GLU A 118 -9.570 -7.071 3.603 1.00 0.00 N ATOM 1364 CA GLU A 118 -9.120 -6.051 4.612 1.00 0.00 C ATOM 1365 C GLU A 118 -7.596 -6.093 4.756 1.00 0.00 C ATOM 1366 O GLU A 118 -7.030 -7.089 5.158 1.00 0.00 O ATOM 1367 CB GLU A 118 -9.799 -6.405 5.950 1.00 0.00 C ATOM 1368 CG GLU A 118 -11.321 -6.599 5.783 1.00 0.00 C ATOM 1369 CD GLU A 118 -11.970 -5.365 5.136 1.00 0.00 C ATOM 1370 OE1 GLU A 118 -12.048 -5.331 3.920 1.00 0.00 O ATOM 1371 OE2 GLU A 118 -12.375 -4.478 5.869 1.00 0.00 O ATOM 0 H GLU A 118 -9.631 -8.030 3.946 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.395 -5.044 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.358 -7.317 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.610 -5.613 6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.513 -7.479 5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.776 -6.784 6.756 1.00 0.00 H new ATOM 1378 N PHE A 119 -6.939 -5.011 4.430 1.00 0.00 N ATOM 1379 CA PHE A 119 -5.453 -4.954 4.537 1.00 0.00 C ATOM 1380 C PHE A 119 -5.102 -4.220 5.838 1.00 0.00 C ATOM 1381 O PHE A 119 -5.610 -3.152 6.114 1.00 0.00 O ATOM 1382 CB PHE A 119 -5.061 -4.216 3.226 1.00 0.00 C ATOM 1383 CG PHE A 119 -3.675 -3.582 3.232 1.00 0.00 C ATOM 1384 CD1 PHE A 119 -3.378 -2.524 4.090 1.00 0.00 C ATOM 1385 CD2 PHE A 119 -2.708 -4.019 2.315 1.00 0.00 C ATOM 1386 CE1 PHE A 119 -2.129 -1.900 4.043 1.00 0.00 C ATOM 1387 CE2 PHE A 119 -1.449 -3.399 2.271 1.00 0.00 C ATOM 1388 CZ PHE A 119 -1.166 -2.332 3.135 1.00 0.00 C ATOM 0 H PHE A 119 -7.375 -4.154 4.090 1.00 0.00 H new ATOM 0 HA PHE A 119 -4.919 -5.902 4.607 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.117 -4.923 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.799 -3.438 3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.120 -2.184 4.797 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -2.932 -4.833 1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -1.910 -1.081 4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.700 -3.743 1.573 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.202 -1.846 3.096 1.00 0.00 H new ATOM 1398 N ARG A 120 -4.267 -4.805 6.664 1.00 0.00 N ATOM 1399 CA ARG A 120 -3.904 -4.141 7.953 1.00 0.00 C ATOM 1400 C ARG A 120 -2.389 -4.046 8.037 1.00 0.00 C ATOM 1401 O ARG A 120 -1.693 -5.044 8.028 1.00 0.00 O ATOM 1402 CB ARG A 120 -4.514 -5.071 9.032 1.00 0.00 C ATOM 1403 CG ARG A 120 -3.943 -4.800 10.440 1.00 0.00 C ATOM 1404 CD ARG A 120 -4.298 -5.965 11.369 1.00 0.00 C ATOM 1405 NE ARG A 120 -4.377 -5.360 12.728 1.00 0.00 N ATOM 1406 CZ ARG A 120 -3.969 -6.034 13.767 1.00 0.00 C ATOM 1407 NH1 ARG A 120 -2.716 -6.387 13.865 1.00 0.00 N ATOM 1408 NH2 ARG A 120 -4.812 -6.356 14.711 1.00 0.00 N ATOM 0 H ARG A 120 -3.824 -5.709 6.501 1.00 0.00 H new ATOM 0 HA ARG A 120 -4.277 -3.123 8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -5.596 -4.939 9.051 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -4.324 -6.110 8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.861 -4.679 10.388 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -4.349 -3.869 10.836 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -5.245 -6.423 11.085 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -3.541 -6.748 11.328 1.00 0.00 H new ATOM 0 HE ARG A 120 -4.750 -4.418 12.846 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -2.056 -6.136 13.129 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -2.397 -6.914 14.678 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.791 -6.080 14.636 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -4.491 -6.883 15.523 1.00 0.00 H new ATOM 1422 N PHE A 121 -1.879 -2.848 8.139 1.00 0.00 N ATOM 1423 CA PHE A 121 -0.416 -2.660 8.262 1.00 0.00 C ATOM 1424 C PHE A 121 -0.218 -1.926 9.563 1.00 0.00 C ATOM 1425 O PHE A 121 -0.669 -0.803 9.742 1.00 0.00 O ATOM 1426 CB PHE A 121 0.045 -1.911 7.005 1.00 0.00 C ATOM 1427 CG PHE A 121 0.481 -2.939 5.955 1.00 0.00 C ATOM 1428 CD1 PHE A 121 -0.419 -3.920 5.500 1.00 0.00 C ATOM 1429 CD2 PHE A 121 1.788 -2.936 5.456 1.00 0.00 C ATOM 1430 CE1 PHE A 121 -0.026 -4.868 4.557 1.00 0.00 C ATOM 1431 CE2 PHE A 121 2.173 -3.895 4.500 1.00 0.00 C ATOM 1432 CZ PHE A 121 1.267 -4.856 4.057 1.00 0.00 C ATOM 0 H PHE A 121 -2.425 -1.986 8.142 1.00 0.00 H new ATOM 0 HA PHE A 121 0.181 -3.571 8.304 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -0.763 -1.292 6.616 1.00 0.00 H new ATOM 0 HB3 PHE A 121 0.871 -1.242 7.245 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -1.427 -3.939 5.886 1.00 0.00 H new ATOM 0 HD2 PHE A 121 2.499 -2.201 5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -0.730 -5.613 4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 121 3.179 -3.886 4.107 1.00 0.00 H new ATOM 0 HZ PHE A 121 1.571 -5.590 3.326 1.00 0.00 H new ATOM 1442 N VAL A 122 0.331 -2.621 10.522 1.00 0.00 N ATOM 1443 CA VAL A 122 0.413 -2.041 11.888 1.00 0.00 C ATOM 1444 C VAL A 122 1.867 -1.894 12.388 1.00 0.00 C ATOM 1445 O VAL A 122 2.567 -2.881 12.496 1.00 0.00 O ATOM 1446 CB VAL A 122 -0.394 -3.039 12.764 1.00 0.00 C ATOM 1447 CG1 VAL A 122 -0.557 -2.468 14.165 1.00 0.00 C ATOM 1448 CG2 VAL A 122 -1.810 -3.339 12.171 1.00 0.00 C ATOM 0 H VAL A 122 0.723 -3.557 10.418 1.00 0.00 H new ATOM 0 HA VAL A 122 0.016 -1.026 11.922 1.00 0.00 H new ATOM 0 HB VAL A 122 0.165 -3.975 12.789 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.123 -3.168 14.780 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.425 -2.308 14.609 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.090 -1.519 14.111 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.335 -4.041 12.819 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.380 -2.412 12.103 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.704 -3.773 11.177 1.00 0.00 H new ATOM 1458 N PRO A 123 2.293 -0.673 12.689 1.00 0.00 N ATOM 1459 CA PRO A 123 3.668 -0.466 13.182 1.00 0.00 C ATOM 1460 C PRO A 123 3.707 -0.595 14.706 1.00 0.00 C ATOM 1461 O PRO A 123 2.707 -0.405 15.374 1.00 0.00 O ATOM 1462 CB PRO A 123 3.988 0.960 12.746 1.00 0.00 C ATOM 1463 CG PRO A 123 2.664 1.656 12.617 1.00 0.00 C ATOM 1464 CD PRO A 123 1.573 0.608 12.601 1.00 0.00 C ATOM 0 HA PRO A 123 4.382 -1.194 12.797 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.622 1.460 13.478 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.527 0.967 11.799 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.515 2.345 13.448 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.634 2.248 11.702 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.887 0.736 13.438 1.00 0.00 H new ATOM 0 HD3 PRO A 123 0.978 0.668 11.689 1.00 0.00 H new ATOM 1472 N SER A 124 4.855 -0.914 15.255 1.00 0.00 N ATOM 1473 CA SER A 124 4.977 -1.057 16.739 1.00 0.00 C ATOM 1474 C SER A 124 5.938 0.003 17.291 1.00 0.00 C ATOM 1475 O SER A 124 6.670 -0.245 18.233 1.00 0.00 O ATOM 1476 CB SER A 124 5.533 -2.465 16.960 1.00 0.00 C ATOM 1477 OG SER A 124 4.806 -3.096 18.007 1.00 0.00 O ATOM 0 H SER A 124 5.716 -1.082 14.735 1.00 0.00 H new ATOM 0 HA SER A 124 4.025 -0.917 17.250 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.453 -3.049 16.043 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.592 -2.415 17.215 1.00 0.00 H new ATOM 0 HG SER A 124 5.158 -3.999 18.151 1.00 0.00 H new ATOM 1483 N ASP A 125 5.939 1.178 16.704 1.00 0.00 N ATOM 1484 CA ASP A 125 6.850 2.266 17.177 1.00 0.00 C ATOM 1485 C ASP A 125 6.170 3.630 17.069 1.00 0.00 C ATOM 1486 O ASP A 125 5.572 3.957 16.061 1.00 0.00 O ATOM 1487 CB ASP A 125 8.063 2.196 16.250 1.00 0.00 C ATOM 1488 CG ASP A 125 9.289 2.757 16.971 1.00 0.00 C ATOM 1489 OD1 ASP A 125 9.397 2.547 18.168 1.00 0.00 O ATOM 1490 OD2 ASP A 125 10.102 3.388 16.315 1.00 0.00 O ATOM 0 H ASP A 125 5.344 1.429 15.914 1.00 0.00 H new ATOM 0 HA ASP A 125 7.124 2.140 18.224 1.00 0.00 H new ATOM 0 HB2 ASP A 125 8.245 1.164 15.949 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.872 2.764 15.340 1.00 0.00 H new ATOM 1495 N LYS A 126 6.284 4.444 18.101 1.00 0.00 N ATOM 1496 CA LYS A 126 5.672 5.819 18.062 1.00 0.00 C ATOM 1497 C LYS A 126 6.292 6.596 16.899 1.00 0.00 C ATOM 1498 O LYS A 126 5.630 7.354 16.209 1.00 0.00 O ATOM 1499 CB LYS A 126 6.031 6.471 19.401 1.00 0.00 C ATOM 1500 CG LYS A 126 5.434 7.880 19.468 1.00 0.00 C ATOM 1501 CD LYS A 126 3.928 7.789 19.719 1.00 0.00 C ATOM 1502 CE LYS A 126 3.352 9.197 19.888 1.00 0.00 C ATOM 1503 NZ LYS A 126 3.659 9.572 21.296 1.00 0.00 N ATOM 0 H LYS A 126 6.773 4.215 18.966 1.00 0.00 H new ATOM 0 HA LYS A 126 4.592 5.798 17.918 1.00 0.00 H new ATOM 0 HB2 LYS A 126 5.651 5.866 20.224 1.00 0.00 H new ATOM 0 HB3 LYS A 126 7.114 6.519 19.514 1.00 0.00 H new ATOM 0 HG2 LYS A 126 5.912 8.450 20.265 1.00 0.00 H new ATOM 0 HG3 LYS A 126 5.626 8.412 18.536 1.00 0.00 H new ATOM 0 HD2 LYS A 126 3.440 7.283 18.886 1.00 0.00 H new ATOM 0 HD3 LYS A 126 3.733 7.195 20.612 1.00 0.00 H new ATOM 0 HE2 LYS A 126 3.806 9.896 19.185 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.278 9.209 19.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 3.029 10.343 21.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 3.515 8.748 21.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 4.648 9.887 21.364 1.00 0.00 H new ATOM 1517 N SER A 127 7.562 6.367 16.670 1.00 0.00 N ATOM 1518 CA SER A 127 8.259 7.036 15.538 1.00 0.00 C ATOM 1519 C SER A 127 7.708 6.480 14.225 1.00 0.00 C ATOM 1520 O SER A 127 7.648 7.180 13.226 1.00 0.00 O ATOM 1521 CB SER A 127 9.742 6.685 15.690 1.00 0.00 C ATOM 1522 OG SER A 127 10.495 7.396 14.717 1.00 0.00 O ATOM 0 H SER A 127 8.146 5.741 17.225 1.00 0.00 H new ATOM 0 HA SER A 127 8.114 8.116 15.537 1.00 0.00 H new ATOM 0 HB2 SER A 127 10.087 6.941 16.692 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.888 5.612 15.567 1.00 0.00 H new ATOM 0 HG SER A 127 11.445 7.175 14.813 1.00 0.00 H new ATOM 1528 N ALA A 128 7.291 5.224 14.223 1.00 0.00 N ATOM 1529 CA ALA A 128 6.731 4.626 12.969 1.00 0.00 C ATOM 1530 C ALA A 128 5.354 5.221 12.679 1.00 0.00 C ATOM 1531 O ALA A 128 5.001 5.449 11.534 1.00 0.00 O ATOM 1532 CB ALA A 128 6.626 3.124 13.233 1.00 0.00 C ATOM 0 H ALA A 128 7.317 4.600 15.029 1.00 0.00 H new ATOM 0 HA ALA A 128 7.360 4.831 12.103 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.222 2.627 12.351 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.615 2.723 13.454 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.966 2.949 14.083 1.00 0.00 H new ATOM 1538 N LEU A 129 4.578 5.475 13.709 1.00 0.00 N ATOM 1539 CA LEU A 129 3.215 6.058 13.504 1.00 0.00 C ATOM 1540 C LEU A 129 3.320 7.502 13.008 1.00 0.00 C ATOM 1541 O LEU A 129 2.630 7.889 12.079 1.00 0.00 O ATOM 1542 CB LEU A 129 2.528 6.008 14.870 1.00 0.00 C ATOM 1543 CG LEU A 129 1.039 6.325 14.706 1.00 0.00 C ATOM 1544 CD1 LEU A 129 0.361 5.234 13.867 1.00 0.00 C ATOM 1545 CD2 LEU A 129 0.378 6.388 16.086 1.00 0.00 C ATOM 0 H LEU A 129 4.832 5.303 14.682 1.00 0.00 H new ATOM 0 HA LEU A 129 2.651 5.504 12.754 1.00 0.00 H new ATOM 0 HB2 LEU A 129 2.653 5.021 15.316 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.991 6.725 15.548 1.00 0.00 H new ATOM 0 HG LEU A 129 0.931 7.285 14.201 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.698 5.467 13.755 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.829 5.188 12.883 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.470 4.271 14.366 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.682 6.614 15.972 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.492 5.428 16.588 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.853 7.168 16.682 1.00 0.00 H new ATOM 1557 N GLU A 130 4.176 8.301 13.617 1.00 0.00 N ATOM 1558 CA GLU A 130 4.320 9.725 13.173 1.00 0.00 C ATOM 1559 C GLU A 130 4.871 9.770 11.743 1.00 0.00 C ATOM 1560 O GLU A 130 4.495 10.622 10.955 1.00 0.00 O ATOM 1561 CB GLU A 130 5.276 10.387 14.176 1.00 0.00 C ATOM 1562 CG GLU A 130 6.655 9.721 14.141 1.00 0.00 C ATOM 1563 CD GLU A 130 7.606 10.487 15.064 1.00 0.00 C ATOM 1564 OE1 GLU A 130 7.257 10.674 16.219 1.00 0.00 O ATOM 1565 OE2 GLU A 130 8.667 10.872 14.602 1.00 0.00 O ATOM 0 H GLU A 130 4.775 8.027 14.396 1.00 0.00 H new ATOM 0 HA GLU A 130 3.366 10.252 13.155 1.00 0.00 H new ATOM 0 HB2 GLU A 130 5.374 11.448 13.945 1.00 0.00 H new ATOM 0 HB3 GLU A 130 4.860 10.317 15.181 1.00 0.00 H new ATOM 0 HG2 GLU A 130 6.578 8.681 14.459 1.00 0.00 H new ATOM 0 HG3 GLU A 130 7.044 9.715 13.123 1.00 0.00 H new ATOM 1572 N ALA A 131 5.745 8.846 11.402 1.00 0.00 N ATOM 1573 CA ALA A 131 6.311 8.818 10.014 1.00 0.00 C ATOM 1574 C ALA A 131 5.197 8.458 9.030 1.00 0.00 C ATOM 1575 O ALA A 131 5.050 9.075 7.988 1.00 0.00 O ATOM 1576 CB ALA A 131 7.389 7.731 10.029 1.00 0.00 C ATOM 0 H ALA A 131 6.088 8.114 12.024 1.00 0.00 H new ATOM 0 HA ALA A 131 6.728 9.779 9.711 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.845 7.657 9.042 1.00 0.00 H new ATOM 0 HB2 ALA A 131 8.153 7.986 10.764 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.938 6.774 10.292 1.00 0.00 H new ATOM 1582 N MET A 132 4.402 7.471 9.371 1.00 0.00 N ATOM 1583 CA MET A 132 3.271 7.062 8.478 1.00 0.00 C ATOM 1584 C MET A 132 2.253 8.198 8.398 1.00 0.00 C ATOM 1585 O MET A 132 1.659 8.436 7.364 1.00 0.00 O ATOM 1586 CB MET A 132 2.651 5.825 9.136 1.00 0.00 C ATOM 1587 CG MET A 132 3.619 4.647 9.023 1.00 0.00 C ATOM 1588 SD MET A 132 3.755 4.141 7.290 1.00 0.00 S ATOM 1589 CE MET A 132 2.072 3.497 7.109 1.00 0.00 C ATOM 0 H MET A 132 4.488 6.930 10.231 1.00 0.00 H new ATOM 0 HA MET A 132 3.601 6.843 7.462 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.431 6.029 10.184 1.00 0.00 H new ATOM 0 HB3 MET A 132 1.705 5.579 8.654 1.00 0.00 H new ATOM 0 HG2 MET A 132 4.599 4.929 9.408 1.00 0.00 H new ATOM 0 HG3 MET A 132 3.266 3.813 9.630 1.00 0.00 H new ATOM 0 HE1 MET A 132 2.061 2.717 6.348 1.00 0.00 H new ATOM 0 HE2 MET A 132 1.737 3.082 8.060 1.00 0.00 H new ATOM 0 HE3 MET A 132 1.404 4.305 6.810 1.00 0.00 H new ATOM 1599 N PHE A 133 2.057 8.899 9.490 1.00 0.00 N ATOM 1600 CA PHE A 133 1.081 10.038 9.502 1.00 0.00 C ATOM 1601 C PHE A 133 1.559 11.129 8.575 1.00 0.00 C ATOM 1602 O PHE A 133 0.775 11.721 7.864 1.00 0.00 O ATOM 1603 CB PHE A 133 1.011 10.501 10.975 1.00 0.00 C ATOM 1604 CG PHE A 133 0.158 9.551 11.841 1.00 0.00 C ATOM 1605 CD1 PHE A 133 -0.210 8.257 11.397 1.00 0.00 C ATOM 1606 CD2 PHE A 133 -0.255 9.979 13.111 1.00 0.00 C ATOM 1607 CE1 PHE A 133 -0.976 7.419 12.211 1.00 0.00 C ATOM 1608 CE2 PHE A 133 -1.025 9.136 13.924 1.00 0.00 C ATOM 1609 CZ PHE A 133 -1.386 7.859 13.475 1.00 0.00 C ATOM 0 H PHE A 133 2.532 8.731 10.377 1.00 0.00 H new ATOM 0 HA PHE A 133 0.090 9.755 9.146 1.00 0.00 H new ATOM 0 HB2 PHE A 133 2.019 10.558 11.385 1.00 0.00 H new ATOM 0 HB3 PHE A 133 0.592 11.506 11.019 1.00 0.00 H new ATOM 0 HD1 PHE A 133 0.104 7.916 10.422 1.00 0.00 H new ATOM 0 HD2 PHE A 133 0.021 10.962 13.464 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.251 6.433 11.866 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -1.341 9.472 14.900 1.00 0.00 H new ATOM 0 HZ PHE A 133 -1.981 7.214 14.104 1.00 0.00 H new ATOM 1619 N THR A 134 2.847 11.368 8.547 1.00 0.00 N ATOM 1620 CA THR A 134 3.392 12.393 7.614 1.00 0.00 C ATOM 1621 C THR A 134 3.206 11.867 6.189 1.00 0.00 C ATOM 1622 O THR A 134 2.931 12.619 5.272 1.00 0.00 O ATOM 1623 CB THR A 134 4.876 12.538 7.961 1.00 0.00 C ATOM 1624 OG1 THR A 134 5.010 12.836 9.344 1.00 0.00 O ATOM 1625 CG2 THR A 134 5.487 13.667 7.131 1.00 0.00 C ATOM 0 H THR A 134 3.540 10.898 9.129 1.00 0.00 H new ATOM 0 HA THR A 134 2.895 13.360 7.695 1.00 0.00 H new ATOM 0 HB THR A 134 5.395 11.606 7.739 1.00 0.00 H new ATOM 0 HG1 THR A 134 4.929 12.010 9.866 1.00 0.00 H new ATOM 0 HG21 THR A 134 6.544 13.770 7.378 1.00 0.00 H new ATOM 0 HG22 THR A 134 5.383 13.436 6.071 1.00 0.00 H new ATOM 0 HG23 THR A 134 4.970 14.601 7.351 1.00 0.00 H new ATOM 1633 N ALA A 135 3.332 10.566 6.014 1.00 0.00 N ATOM 1634 CA ALA A 135 3.136 9.966 4.654 1.00 0.00 C ATOM 1635 C ALA A 135 1.661 10.057 4.252 1.00 0.00 C ATOM 1636 O ALA A 135 1.328 10.466 3.153 1.00 0.00 O ATOM 1637 CB ALA A 135 3.568 8.503 4.785 1.00 0.00 C ATOM 0 H ALA A 135 3.561 9.900 6.752 1.00 0.00 H new ATOM 0 HA ALA A 135 3.713 10.486 3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.451 8.002 3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 135 4.613 8.458 5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.949 8.006 5.532 1.00 0.00 H new ATOM 1643 N MET A 136 0.777 9.678 5.150 1.00 0.00 N ATOM 1644 CA MET A 136 -0.689 9.736 4.849 1.00 0.00 C ATOM 1645 C MET A 136 -1.159 11.188 4.816 1.00 0.00 C ATOM 1646 O MET A 136 -1.850 11.601 3.900 1.00 0.00 O ATOM 1647 CB MET A 136 -1.375 8.977 5.990 1.00 0.00 C ATOM 1648 CG MET A 136 -2.859 8.802 5.664 1.00 0.00 C ATOM 1649 SD MET A 136 -3.070 7.381 4.563 1.00 0.00 S ATOM 1650 CE MET A 136 -2.986 6.095 5.833 1.00 0.00 C ATOM 0 H MET A 136 1.011 9.331 6.080 1.00 0.00 H new ATOM 0 HA MET A 136 -0.923 9.298 3.879 1.00 0.00 H new ATOM 0 HB2 MET A 136 -0.905 8.004 6.128 1.00 0.00 H new ATOM 0 HB3 MET A 136 -1.259 9.523 6.926 1.00 0.00 H new ATOM 0 HG2 MET A 136 -3.429 8.653 6.581 1.00 0.00 H new ATOM 0 HG3 MET A 136 -3.247 9.704 5.190 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.220 5.368 5.564 1.00 0.00 H new ATOM 0 HE2 MET A 136 -2.737 6.547 6.793 1.00 0.00 H new ATOM 0 HE3 MET A 136 -3.951 5.594 5.908 1.00 0.00 H new ATOM 1660 N CYS A 137 -0.786 11.960 5.810 1.00 0.00 N ATOM 1661 CA CYS A 137 -1.208 13.403 5.849 1.00 0.00 C ATOM 1662 C CYS A 137 -0.680 14.138 4.614 1.00 0.00 C ATOM 1663 O CYS A 137 -1.384 14.925 4.004 1.00 0.00 O ATOM 1664 CB CYS A 137 -0.588 13.983 7.122 1.00 0.00 C ATOM 1665 SG CYS A 137 -1.298 15.613 7.449 1.00 0.00 S ATOM 0 H CYS A 137 -0.209 11.657 6.595 1.00 0.00 H new ATOM 0 HA CYS A 137 -2.293 13.509 5.850 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -0.773 13.318 7.965 1.00 0.00 H new ATOM 0 HB3 CYS A 137 0.493 14.061 7.010 1.00 0.00 H new ATOM 0 HG CYS A 137 -0.773 16.106 8.532 1.00 0.00 H new ATOM 1671 N GLU A 138 0.553 13.880 4.240 1.00 0.00 N ATOM 1672 CA GLU A 138 1.141 14.556 3.038 1.00 0.00 C ATOM 1673 C GLU A 138 0.456 14.054 1.773 1.00 0.00 C ATOM 1674 O GLU A 138 0.243 14.794 0.829 1.00 0.00 O ATOM 1675 CB GLU A 138 2.625 14.181 3.035 1.00 0.00 C ATOM 1676 CG GLU A 138 3.338 14.921 1.900 1.00 0.00 C ATOM 1677 CD GLU A 138 4.793 14.456 1.824 1.00 0.00 C ATOM 1678 OE1 GLU A 138 5.518 14.678 2.780 1.00 0.00 O ATOM 1679 OE2 GLU A 138 5.161 13.886 0.809 1.00 0.00 O ATOM 0 H GLU A 138 1.178 13.229 4.716 1.00 0.00 H new ATOM 0 HA GLU A 138 1.006 15.637 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 138 3.078 14.439 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 138 2.738 13.104 2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 138 2.834 14.729 0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.297 15.997 2.071 1.00 0.00 H new ATOM 1686 N CYS A 139 0.110 12.800 1.766 1.00 0.00 N ATOM 1687 CA CYS A 139 -0.577 12.200 0.576 1.00 0.00 C ATOM 1688 C CYS A 139 -2.004 12.745 0.472 1.00 0.00 C ATOM 1689 O CYS A 139 -2.461 13.109 -0.597 1.00 0.00 O ATOM 1690 CB CYS A 139 -0.595 10.693 0.831 1.00 0.00 C ATOM 1691 SG CYS A 139 -1.109 9.833 -0.675 1.00 0.00 S ATOM 0 H CYS A 139 0.272 12.153 2.538 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.069 12.440 -0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 139 0.394 10.353 1.137 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -1.279 10.460 1.647 1.00 0.00 H new ATOM 0 HG CYS A 139 -1.123 8.551 -0.460 1.00 0.00 H new ATOM 1697 N GLN A 140 -2.702 12.802 1.582 1.00 0.00 N ATOM 1698 CA GLN A 140 -4.107 13.327 1.572 1.00 0.00 C ATOM 1699 C GLN A 140 -4.100 14.824 1.258 1.00 0.00 C ATOM 1700 O GLN A 140 -4.959 15.318 0.547 1.00 0.00 O ATOM 1701 CB GLN A 140 -4.651 13.079 2.983 1.00 0.00 C ATOM 1702 CG GLN A 140 -5.514 11.816 2.991 1.00 0.00 C ATOM 1703 CD GLN A 140 -6.101 11.606 4.376 1.00 0.00 C ATOM 1704 OE1 GLN A 140 -6.829 12.436 4.882 1.00 0.00 O ATOM 1705 NE2 GLN A 140 -5.804 10.513 5.013 1.00 0.00 N ATOM 0 H GLN A 140 -2.359 12.507 2.496 1.00 0.00 H new ATOM 0 HA GLN A 140 -4.721 12.838 0.816 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -3.826 12.971 3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -5.240 13.935 3.311 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -6.314 11.906 2.256 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -4.914 10.952 2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -5.192 9.821 4.581 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.183 10.347 5.945 1.00 0.00 H new ATOM 1714 N ALA A 141 -3.137 15.541 1.785 1.00 0.00 N ATOM 1715 CA ALA A 141 -3.059 17.015 1.526 1.00 0.00 C ATOM 1716 C ALA A 141 -2.707 17.270 0.058 1.00 0.00 C ATOM 1717 O ALA A 141 -3.202 18.201 -0.551 1.00 0.00 O ATOM 1718 CB ALA A 141 -1.950 17.538 2.442 1.00 0.00 C ATOM 0 H ALA A 141 -2.400 15.169 2.384 1.00 0.00 H new ATOM 0 HA ALA A 141 -4.008 17.515 1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -1.840 18.613 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -2.208 17.331 3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -1.011 17.042 2.196 1.00 0.00 H new ATOM 1724 N LEU A 142 -1.858 16.442 -0.506 1.00 0.00 N ATOM 1725 CA LEU A 142 -1.464 16.621 -1.941 1.00 0.00 C ATOM 1726 C LEU A 142 -2.650 16.295 -2.852 1.00 0.00 C ATOM 1727 O LEU A 142 -3.039 17.096 -3.685 1.00 0.00 O ATOM 1728 CB LEU A 142 -0.313 15.628 -2.179 1.00 0.00 C ATOM 1729 CG LEU A 142 0.581 16.087 -3.346 1.00 0.00 C ATOM 1730 CD1 LEU A 142 -0.241 16.189 -4.637 1.00 0.00 C ATOM 1731 CD2 LEU A 142 1.198 17.455 -3.025 1.00 0.00 C ATOM 0 H LEU A 142 -1.421 15.650 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.161 17.645 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.285 15.536 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.719 14.640 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 142 1.375 15.353 -3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.403 16.514 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.665 15.214 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -1.046 16.911 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 142 1.829 17.773 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.404 18.186 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.800 17.379 -2.120 1.00 0.00 H new