USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 671 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 149 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 149 CACA :(metal ligand) USER MOD Set 1.1: A 109 MET CE :methyl -153:sc=-0.00551 (180deg=-0.00759) USER MOD Set 1.2: A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -148:sc= -0.0229 (180deg=0) USER MOD Set 2.2: A 107 HIS : no HD1:sc= -2.42 K(o=-2.4,f=-0.74) USER MOD Set 3.1: A 62 HIS : no HD1:sc= -0.32 X(o=-1.3,f=-1.1) USER MOD Set 3.2: A 69 ASN : amide:sc= -1 K(o=-1.3,f=-0.4) USER MOD Set 4.1: A 61 HIS : no HD1:sc= -6! C(o=-12!,f=-17!) USER MOD Set 4.2: A 63 HIS : no HD1:sc= -6.08! C(o=-12!,f=-13!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.19 K(o=-0.19,f=-0.9) USER MOD Single : A 60 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-7.2!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.79 X(o=-1.8,f=-2!) USER MOD Single : A 74 SER OG : rot 60:sc= 0.701 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -120:sc= -0.539 USER MOD Single : A 81 SER OG : rot -110:sc= -2.7! USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 110 THR OG1 : rot 5:sc= -0.462 USER MOD Single : A 111 ASN : amide:sc= -2.38! C(o=-2.4!,f=-4.7!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 129:sc= 0.0105 USER MOD Single : A 135 GLN : amide:sc= -3.86 K(o=-3.9,f=-1.8) USER MOD Single : A 137 ASN : amide:sc= -4.34! C(o=-4.3!,f=-11!) USER MOD Single : A 138 TYR OH : rot 180:sc= -2.23 USER MOD Single : A 143 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.18) USER MOD Single : A 144 MET CE :methyl 179:sc= 0 (180deg=-0.000537) USER MOD Single : A 145 MET CE :methyl 170:sc=-0.00598 (180deg=-0.22) USER MOD Single : A 146 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 148 LYS NZ :NH3+ -161:sc= -0.0407 (180deg=-0.647) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 24.377 19.132 -10.003 1.00 0.00 N ATOM 2 CA GLY A 56 24.148 18.028 -10.979 1.00 0.00 C ATOM 3 C GLY A 56 23.668 16.786 -10.239 1.00 0.00 C ATOM 4 O GLY A 56 22.492 16.673 -9.892 1.00 0.00 O ATOM 0 HA2 GLY A 56 23.408 18.331 -11.720 1.00 0.00 H new ATOM 0 HA3 GLY A 56 25.069 17.809 -11.519 1.00 0.00 H new ATOM 8 N SER A 57 24.586 15.854 -10.000 1.00 0.00 N ATOM 9 CA SER A 57 24.243 14.621 -9.300 1.00 0.00 C ATOM 10 C SER A 57 23.920 14.911 -7.837 1.00 0.00 C ATOM 11 O SER A 57 24.524 15.789 -7.219 1.00 0.00 O ATOM 12 CB SER A 57 25.409 13.633 -9.383 1.00 0.00 C ATOM 13 OG SER A 57 25.464 13.083 -10.692 1.00 0.00 O ATOM 0 H SER A 57 25.565 15.928 -10.278 1.00 0.00 H new ATOM 0 HA SER A 57 23.364 14.185 -9.775 1.00 0.00 H new ATOM 0 HB2 SER A 57 26.346 14.138 -9.148 1.00 0.00 H new ATOM 0 HB3 SER A 57 25.281 12.839 -8.647 1.00 0.00 H new ATOM 0 HG SER A 57 26.211 12.451 -10.750 1.00 0.00 H new ATOM 19 N HIS A 58 22.963 14.168 -7.290 1.00 0.00 N ATOM 20 CA HIS A 58 22.566 14.355 -5.899 1.00 0.00 C ATOM 21 C HIS A 58 23.569 13.691 -4.963 1.00 0.00 C ATOM 22 O HIS A 58 24.061 12.598 -5.239 1.00 0.00 O ATOM 23 CB HIS A 58 21.178 13.757 -5.668 1.00 0.00 C ATOM 24 CG HIS A 58 20.168 14.494 -6.504 1.00 0.00 C ATOM 25 ND1 HIS A 58 19.720 14.006 -7.721 1.00 0.00 N ATOM 26 CD2 HIS A 58 19.514 15.685 -6.313 1.00 0.00 C ATOM 27 CE1 HIS A 58 18.833 14.892 -8.211 1.00 0.00 C ATOM 28 NE2 HIS A 58 18.671 15.935 -7.392 1.00 0.00 N ATOM 0 H HIS A 58 22.452 13.437 -7.784 1.00 0.00 H new ATOM 0 HA HIS A 58 22.541 15.424 -5.688 1.00 0.00 H new ATOM 0 HB2 HIS A 58 21.179 12.699 -5.929 1.00 0.00 H new ATOM 0 HB3 HIS A 58 20.912 13.825 -4.613 1.00 0.00 H new ATOM 0 HD2 HIS A 58 19.635 16.330 -5.456 1.00 0.00 H new ATOM 0 HE1 HIS A 58 18.315 14.774 -9.152 1.00 0.00 H new ATOM 0 HE2 HIS A 58 18.061 16.741 -7.528 1.00 0.00 H new ATOM 36 N HIS A 59 23.869 14.360 -3.853 1.00 0.00 N ATOM 37 CA HIS A 59 24.818 13.825 -2.881 1.00 0.00 C ATOM 38 C HIS A 59 24.101 12.931 -1.876 1.00 0.00 C ATOM 39 O HIS A 59 23.184 13.369 -1.183 1.00 0.00 O ATOM 40 CB HIS A 59 25.509 14.972 -2.141 1.00 0.00 C ATOM 41 CG HIS A 59 26.671 14.432 -1.355 1.00 0.00 C ATOM 42 ND1 HIS A 59 26.506 13.790 -0.137 1.00 0.00 N ATOM 43 CD2 HIS A 59 28.022 14.430 -1.600 1.00 0.00 C ATOM 44 CE1 HIS A 59 27.727 13.431 0.301 1.00 0.00 C ATOM 45 NE2 HIS A 59 28.686 13.797 -0.552 1.00 0.00 N ATOM 0 H HIS A 59 23.472 15.266 -3.605 1.00 0.00 H new ATOM 0 HA HIS A 59 25.564 13.234 -3.413 1.00 0.00 H new ATOM 0 HB2 HIS A 59 25.854 15.722 -2.852 1.00 0.00 H new ATOM 0 HB3 HIS A 59 24.803 15.466 -1.474 1.00 0.00 H new ATOM 0 HD2 HIS A 59 28.497 14.854 -2.472 1.00 0.00 H new ATOM 0 HE1 HIS A 59 27.909 12.910 1.230 1.00 0.00 H new ATOM 0 HE2 HIS A 59 29.690 13.646 -0.457 1.00 0.00 H new ATOM 53 N HIS A 60 24.527 11.674 -1.802 1.00 0.00 N ATOM 54 CA HIS A 60 23.921 10.723 -0.876 1.00 0.00 C ATOM 55 C HIS A 60 24.905 9.613 -0.530 1.00 0.00 C ATOM 56 O HIS A 60 25.860 9.366 -1.265 1.00 0.00 O ATOM 57 CB HIS A 60 22.663 10.115 -1.501 1.00 0.00 C ATOM 58 CG HIS A 60 23.027 9.419 -2.784 1.00 0.00 C ATOM 59 ND1 HIS A 60 24.321 9.407 -3.278 1.00 0.00 N ATOM 60 CD2 HIS A 60 22.275 8.704 -3.684 1.00 0.00 C ATOM 61 CE1 HIS A 60 24.311 8.707 -4.428 1.00 0.00 C ATOM 62 NE2 HIS A 60 23.089 8.256 -4.721 1.00 0.00 N ATOM 0 H HIS A 60 25.285 11.292 -2.368 1.00 0.00 H new ATOM 0 HA HIS A 60 23.653 11.254 0.037 1.00 0.00 H new ATOM 0 HB2 HIS A 60 22.205 9.408 -0.809 1.00 0.00 H new ATOM 0 HB3 HIS A 60 21.926 10.895 -1.694 1.00 0.00 H new ATOM 0 HD2 HIS A 60 21.214 8.518 -3.600 1.00 0.00 H new ATOM 0 HE1 HIS A 60 25.184 8.532 -5.039 1.00 0.00 H new ATOM 0 HE2 HIS A 60 22.811 7.702 -5.531 1.00 0.00 H new ATOM 70 N HIS A 61 24.667 8.946 0.595 1.00 0.00 N ATOM 71 CA HIS A 61 25.541 7.860 1.033 1.00 0.00 C ATOM 72 C HIS A 61 24.757 6.836 1.845 1.00 0.00 C ATOM 73 O HIS A 61 25.097 5.652 1.862 1.00 0.00 O ATOM 74 CB HIS A 61 26.683 8.423 1.881 1.00 0.00 C ATOM 75 CG HIS A 61 26.115 9.176 3.052 1.00 0.00 C ATOM 76 ND1 HIS A 61 25.867 10.539 3.004 1.00 0.00 N ATOM 77 CD2 HIS A 61 25.742 8.771 4.310 1.00 0.00 C ATOM 78 CE1 HIS A 61 25.366 10.902 4.199 1.00 0.00 C ATOM 79 NE2 HIS A 61 25.269 9.863 5.033 1.00 0.00 N ATOM 0 H HIS A 61 23.882 9.136 1.218 1.00 0.00 H new ATOM 0 HA HIS A 61 25.951 7.368 0.151 1.00 0.00 H new ATOM 0 HB2 HIS A 61 27.323 7.613 2.232 1.00 0.00 H new ATOM 0 HB3 HIS A 61 27.306 9.084 1.278 1.00 0.00 H new ATOM 0 HD2 HIS A 61 25.806 7.759 4.682 1.00 0.00 H new ATOM 0 HE1 HIS A 61 25.077 11.911 4.453 1.00 0.00 H new ATOM 0 HE2 HIS A 61 24.923 9.868 5.993 1.00 0.00 H new ATOM 87 N HIS A 62 23.710 7.297 2.520 1.00 0.00 N ATOM 88 CA HIS A 62 22.887 6.410 3.334 1.00 0.00 C ATOM 89 C HIS A 62 23.764 5.498 4.185 1.00 0.00 C ATOM 90 O HIS A 62 24.135 4.403 3.761 1.00 0.00 O ATOM 91 CB HIS A 62 21.986 5.562 2.435 1.00 0.00 C ATOM 92 CG HIS A 62 21.109 4.688 3.289 1.00 0.00 C ATOM 93 ND1 HIS A 62 20.388 5.188 4.363 1.00 0.00 N ATOM 94 CD2 HIS A 62 20.819 3.347 3.236 1.00 0.00 C ATOM 95 CE1 HIS A 62 19.710 4.163 4.908 1.00 0.00 C ATOM 96 NE2 HIS A 62 19.936 3.018 4.260 1.00 0.00 N ATOM 0 H HIS A 62 23.412 8.273 2.520 1.00 0.00 H new ATOM 0 HA HIS A 62 22.270 7.020 3.993 1.00 0.00 H new ATOM 0 HB2 HIS A 62 21.373 6.206 1.805 1.00 0.00 H new ATOM 0 HB3 HIS A 62 22.592 4.948 1.769 1.00 0.00 H new ATOM 0 HD2 HIS A 62 21.216 2.653 2.510 1.00 0.00 H new ATOM 0 HE1 HIS A 62 19.061 4.255 5.766 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.545 2.099 4.470 1.00 0.00 H new ATOM 104 N HIS A 63 24.093 5.957 5.388 1.00 0.00 N ATOM 105 CA HIS A 63 24.927 5.176 6.293 1.00 0.00 C ATOM 106 C HIS A 63 24.219 3.889 6.696 1.00 0.00 C ATOM 107 O HIS A 63 24.855 2.854 6.894 1.00 0.00 O ATOM 108 CB HIS A 63 25.258 5.995 7.543 1.00 0.00 C ATOM 109 CG HIS A 63 26.270 7.054 7.201 1.00 0.00 C ATOM 110 ND1 HIS A 63 25.960 8.404 7.212 1.00 0.00 N ATOM 111 CD2 HIS A 63 27.589 6.974 6.831 1.00 0.00 C ATOM 112 CE1 HIS A 63 27.070 9.077 6.860 1.00 0.00 C ATOM 113 NE2 HIS A 63 28.094 8.253 6.616 1.00 0.00 N ATOM 0 H HIS A 63 23.797 6.861 5.757 1.00 0.00 H new ATOM 0 HA HIS A 63 25.851 4.922 5.775 1.00 0.00 H new ATOM 0 HB2 HIS A 63 24.353 6.457 7.937 1.00 0.00 H new ATOM 0 HB3 HIS A 63 25.649 5.343 8.324 1.00 0.00 H new ATOM 0 HD2 HIS A 63 28.150 6.058 6.723 1.00 0.00 H new ATOM 0 HE1 HIS A 63 27.127 10.153 6.784 1.00 0.00 H new ATOM 0 HE2 HIS A 63 29.041 8.507 6.333 1.00 0.00 H new ATOM 121 N GLY A 64 22.897 3.960 6.823 1.00 0.00 N ATOM 122 CA GLY A 64 22.113 2.792 7.209 1.00 0.00 C ATOM 123 C GLY A 64 22.088 2.629 8.725 1.00 0.00 C ATOM 124 O GLY A 64 21.999 1.513 9.236 1.00 0.00 O ATOM 0 H GLY A 64 22.350 4.807 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.095 2.892 6.833 1.00 0.00 H new ATOM 0 HA3 GLY A 64 22.535 1.898 6.750 1.00 0.00 H new ATOM 128 N SER A 65 22.171 3.748 9.437 1.00 0.00 N ATOM 129 CA SER A 65 22.157 3.720 10.895 1.00 0.00 C ATOM 130 C SER A 65 20.964 2.917 11.405 1.00 0.00 C ATOM 131 O SER A 65 20.255 2.279 10.627 1.00 0.00 O ATOM 132 CB SER A 65 22.087 5.144 11.446 1.00 0.00 C ATOM 133 OG SER A 65 23.190 5.892 10.954 1.00 0.00 O ATOM 0 H SER A 65 22.248 4.681 9.031 1.00 0.00 H new ATOM 0 HA SER A 65 23.075 3.243 11.237 1.00 0.00 H new ATOM 0 HB2 SER A 65 21.151 5.616 11.148 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.102 5.126 12.536 1.00 0.00 H new ATOM 0 HG SER A 65 23.147 6.806 11.304 1.00 0.00 H new ATOM 139 N SER A 66 20.751 2.949 12.715 1.00 0.00 N ATOM 140 CA SER A 66 19.643 2.215 13.316 1.00 0.00 C ATOM 141 C SER A 66 18.318 2.656 12.704 1.00 0.00 C ATOM 142 O SER A 66 18.126 3.833 12.397 1.00 0.00 O ATOM 143 CB SER A 66 19.615 2.459 14.825 1.00 0.00 C ATOM 144 OG SER A 66 20.800 1.935 15.408 1.00 0.00 O ATOM 0 H SER A 66 21.325 3.471 13.377 1.00 0.00 H new ATOM 0 HA SER A 66 19.786 1.152 13.122 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.536 3.526 15.031 1.00 0.00 H new ATOM 0 HB3 SER A 66 18.739 1.984 15.266 1.00 0.00 H new ATOM 0 HG SER A 66 20.786 2.092 16.375 1.00 0.00 H new ATOM 150 N GLY A 67 17.408 1.703 12.527 1.00 0.00 N ATOM 151 CA GLY A 67 16.102 2.002 11.945 1.00 0.00 C ATOM 152 C GLY A 67 15.509 0.767 11.278 1.00 0.00 C ATOM 153 O GLY A 67 14.292 0.658 11.123 1.00 0.00 O ATOM 0 H GLY A 67 17.548 0.724 12.776 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.427 2.361 12.722 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.200 2.804 11.213 1.00 0.00 H new ATOM 157 N GLU A 68 16.374 -0.162 10.885 1.00 0.00 N ATOM 158 CA GLU A 68 15.922 -1.387 10.235 1.00 0.00 C ATOM 159 C GLU A 68 14.964 -1.068 9.092 1.00 0.00 C ATOM 160 O GLU A 68 13.776 -0.832 9.312 1.00 0.00 O ATOM 161 CB GLU A 68 15.219 -2.288 11.255 1.00 0.00 C ATOM 162 CG GLU A 68 16.219 -2.730 12.327 1.00 0.00 C ATOM 163 CD GLU A 68 17.292 -3.619 11.708 1.00 0.00 C ATOM 164 OE1 GLU A 68 17.040 -4.164 10.645 1.00 0.00 O ATOM 165 OE2 GLU A 68 18.351 -3.739 12.301 1.00 0.00 O ATOM 0 H GLU A 68 17.385 -0.091 11.004 1.00 0.00 H new ATOM 0 HA GLU A 68 16.792 -1.903 9.830 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.389 -1.753 11.716 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.798 -3.160 10.755 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.681 -1.856 12.787 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.700 -3.270 13.119 1.00 0.00 H new ATOM 172 N ASN A 69 15.489 -1.067 7.874 1.00 0.00 N ATOM 173 CA ASN A 69 14.675 -0.781 6.698 1.00 0.00 C ATOM 174 C ASN A 69 13.598 -1.846 6.521 1.00 0.00 C ATOM 175 O ASN A 69 12.481 -1.550 6.100 1.00 0.00 O ATOM 176 CB ASN A 69 15.559 -0.719 5.449 1.00 0.00 C ATOM 177 CG ASN A 69 16.323 0.602 5.413 1.00 0.00 C ATOM 178 OD1 ASN A 69 17.494 0.631 5.035 1.00 0.00 O ATOM 179 ND2 ASN A 69 15.725 1.703 5.781 1.00 0.00 N ATOM 0 H ASN A 69 16.470 -1.260 7.674 1.00 0.00 H new ATOM 0 HA ASN A 69 14.190 0.185 6.840 1.00 0.00 H new ATOM 0 HB2 ASN A 69 16.260 -1.554 5.448 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.945 -0.818 4.554 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.228 2.590 5.756 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.755 1.676 6.094 1.00 0.00 H new ATOM 186 N LEU A 70 13.948 -3.083 6.834 1.00 0.00 N ATOM 187 CA LEU A 70 13.009 -4.191 6.697 1.00 0.00 C ATOM 188 C LEU A 70 11.800 -3.976 7.599 1.00 0.00 C ATOM 189 O LEU A 70 10.675 -4.316 7.235 1.00 0.00 O ATOM 190 CB LEU A 70 13.701 -5.514 7.060 1.00 0.00 C ATOM 191 CG LEU A 70 14.535 -6.002 5.872 1.00 0.00 C ATOM 192 CD1 LEU A 70 15.576 -4.939 5.509 1.00 0.00 C ATOM 193 CD2 LEU A 70 15.243 -7.304 6.249 1.00 0.00 C ATOM 0 H LEU A 70 14.869 -3.347 7.183 1.00 0.00 H new ATOM 0 HA LEU A 70 12.672 -4.235 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.340 -5.374 7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.956 -6.264 7.327 1.00 0.00 H new ATOM 0 HG LEU A 70 13.883 -6.178 5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.170 -5.285 4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.070 -4.011 5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.229 -4.763 6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.837 -7.653 5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.896 -7.129 7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.501 -8.060 6.508 1.00 0.00 H new ATOM 205 N TYR A 71 12.043 -3.424 8.778 1.00 0.00 N ATOM 206 CA TYR A 71 10.964 -3.183 9.732 1.00 0.00 C ATOM 207 C TYR A 71 9.892 -2.295 9.108 1.00 0.00 C ATOM 208 O TYR A 71 8.703 -2.600 9.180 1.00 0.00 O ATOM 209 CB TYR A 71 11.521 -2.501 10.986 1.00 0.00 C ATOM 210 CG TYR A 71 10.387 -2.179 11.931 1.00 0.00 C ATOM 211 CD1 TYR A 71 9.923 -3.154 12.822 1.00 0.00 C ATOM 212 CD2 TYR A 71 9.799 -0.909 11.914 1.00 0.00 C ATOM 213 CE1 TYR A 71 8.871 -2.859 13.697 1.00 0.00 C ATOM 214 CE2 TYR A 71 8.747 -0.613 12.789 1.00 0.00 C ATOM 215 CZ TYR A 71 8.283 -1.588 13.680 1.00 0.00 C ATOM 216 OH TYR A 71 7.247 -1.297 14.543 1.00 0.00 O ATOM 0 H TYR A 71 12.968 -3.136 9.098 1.00 0.00 H new ATOM 0 HA TYR A 71 10.520 -4.141 10.003 1.00 0.00 H new ATOM 0 HB2 TYR A 71 12.243 -3.153 11.477 1.00 0.00 H new ATOM 0 HB3 TYR A 71 12.050 -1.588 10.712 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.377 -4.134 12.834 1.00 0.00 H new ATOM 0 HD2 TYR A 71 10.157 -0.157 11.226 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.513 -3.611 14.385 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.294 0.367 12.777 1.00 0.00 H new ATOM 0 HH TYR A 71 6.954 -0.372 14.403 1.00 0.00 H new ATOM 226 N PHE A 72 10.321 -1.202 8.485 1.00 0.00 N ATOM 227 CA PHE A 72 9.387 -0.283 7.844 1.00 0.00 C ATOM 228 C PHE A 72 8.684 -0.964 6.674 1.00 0.00 C ATOM 229 O PHE A 72 7.489 -0.769 6.455 1.00 0.00 O ATOM 230 CB PHE A 72 10.129 0.956 7.344 1.00 0.00 C ATOM 231 CG PHE A 72 10.607 1.767 8.527 1.00 0.00 C ATOM 232 CD1 PHE A 72 9.680 2.449 9.326 1.00 0.00 C ATOM 233 CD2 PHE A 72 11.973 1.838 8.826 1.00 0.00 C ATOM 234 CE1 PHE A 72 10.120 3.200 10.422 1.00 0.00 C ATOM 235 CE2 PHE A 72 12.412 2.590 9.921 1.00 0.00 C ATOM 236 CZ PHE A 72 11.487 3.271 10.719 1.00 0.00 C ATOM 0 H PHE A 72 11.302 -0.932 8.410 1.00 0.00 H new ATOM 0 HA PHE A 72 8.640 0.016 8.580 1.00 0.00 H new ATOM 0 HB2 PHE A 72 10.976 0.661 6.725 1.00 0.00 H new ATOM 0 HB3 PHE A 72 9.472 1.559 6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.626 2.395 9.096 1.00 0.00 H new ATOM 0 HD2 PHE A 72 12.688 1.312 8.211 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.405 3.725 11.039 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.466 2.645 10.150 1.00 0.00 H new ATOM 0 HZ PHE A 72 11.827 3.851 11.564 1.00 0.00 H new ATOM 246 N GLN A 73 9.435 -1.762 5.922 1.00 0.00 N ATOM 247 CA GLN A 73 8.874 -2.464 4.773 1.00 0.00 C ATOM 248 C GLN A 73 7.786 -3.434 5.221 1.00 0.00 C ATOM 249 O GLN A 73 6.838 -3.701 4.483 1.00 0.00 O ATOM 250 CB GLN A 73 9.977 -3.234 4.042 1.00 0.00 C ATOM 251 CG GLN A 73 9.401 -3.873 2.777 1.00 0.00 C ATOM 252 CD GLN A 73 10.508 -4.578 1.999 1.00 0.00 C ATOM 253 OE1 GLN A 73 11.663 -4.579 2.424 1.00 0.00 O ATOM 254 NE2 GLN A 73 10.221 -5.181 0.878 1.00 0.00 N ATOM 0 H GLN A 73 10.426 -1.938 6.086 1.00 0.00 H new ATOM 0 HA GLN A 73 8.436 -1.729 4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.794 -2.561 3.782 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.392 -4.003 4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.621 -4.586 3.043 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.936 -3.110 2.153 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.263 -5.178 0.528 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.955 -5.655 0.351 1.00 0.00 H new ATOM 263 N SER A 74 7.931 -3.961 6.431 1.00 0.00 N ATOM 264 CA SER A 74 6.955 -4.905 6.965 1.00 0.00 C ATOM 265 C SER A 74 5.562 -4.286 6.973 1.00 0.00 C ATOM 266 O SER A 74 4.569 -4.964 6.720 1.00 0.00 O ATOM 267 CB SER A 74 7.347 -5.314 8.385 1.00 0.00 C ATOM 268 OG SER A 74 8.693 -5.771 8.387 1.00 0.00 O ATOM 0 H SER A 74 8.709 -3.753 7.057 1.00 0.00 H new ATOM 0 HA SER A 74 6.942 -5.788 6.326 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.237 -4.468 9.063 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.683 -6.100 8.746 1.00 0.00 H new ATOM 0 HG SER A 74 9.282 -5.054 8.073 1.00 0.00 H new ATOM 274 N LEU A 75 5.499 -2.998 7.271 1.00 0.00 N ATOM 275 CA LEU A 75 4.220 -2.300 7.313 1.00 0.00 C ATOM 276 C LEU A 75 3.556 -2.307 5.948 1.00 0.00 C ATOM 277 O LEU A 75 2.352 -2.542 5.836 1.00 0.00 O ATOM 278 CB LEU A 75 4.437 -0.847 7.777 1.00 0.00 C ATOM 279 CG LEU A 75 4.576 -0.812 9.307 1.00 0.00 C ATOM 280 CD1 LEU A 75 3.227 -1.168 9.974 1.00 0.00 C ATOM 281 CD2 LEU A 75 5.653 -1.821 9.742 1.00 0.00 C ATOM 0 H LEU A 75 6.310 -2.417 7.486 1.00 0.00 H new ATOM 0 HA LEU A 75 3.568 -2.816 8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.332 -0.435 7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.599 -0.225 7.463 1.00 0.00 H new ATOM 0 HG LEU A 75 4.866 0.192 9.618 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.338 -1.140 11.058 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.469 -0.447 9.668 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.922 -2.168 9.667 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.755 -1.799 10.827 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.363 -2.823 9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.606 -1.557 9.283 1.00 0.00 H new ATOM 293 N MET A 76 4.344 -2.052 4.916 1.00 0.00 N ATOM 294 CA MET A 76 3.826 -2.037 3.554 1.00 0.00 C ATOM 295 C MET A 76 3.851 -3.434 2.955 1.00 0.00 C ATOM 296 O MET A 76 3.305 -3.663 1.878 1.00 0.00 O ATOM 297 CB MET A 76 4.654 -1.089 2.687 1.00 0.00 C ATOM 298 CG MET A 76 4.395 0.357 3.114 1.00 0.00 C ATOM 299 SD MET A 76 5.409 1.473 2.113 1.00 0.00 S ATOM 300 CE MET A 76 4.576 3.012 2.574 1.00 0.00 C ATOM 0 H MET A 76 5.341 -1.853 4.993 1.00 0.00 H new ATOM 0 HA MET A 76 2.794 -1.688 3.584 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.714 -1.323 2.785 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.394 -1.221 1.637 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.339 0.600 2.992 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.631 0.483 4.171 1.00 0.00 H new ATOM 0 HE1 MET A 76 5.049 3.849 2.061 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.526 2.957 2.288 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.651 3.158 3.652 1.00 0.00 H new ATOM 310 N LYS A 77 4.483 -4.362 3.663 1.00 0.00 N ATOM 311 CA LYS A 77 4.577 -5.742 3.194 1.00 0.00 C ATOM 312 C LYS A 77 5.257 -5.799 1.829 1.00 0.00 C ATOM 313 O LYS A 77 4.967 -4.998 0.942 1.00 0.00 O ATOM 314 CB LYS A 77 3.181 -6.359 3.098 1.00 0.00 C ATOM 315 CG LYS A 77 3.302 -7.853 2.792 1.00 0.00 C ATOM 316 CD LYS A 77 1.909 -8.485 2.776 1.00 0.00 C ATOM 317 CE LYS A 77 2.030 -9.981 2.485 1.00 0.00 C ATOM 318 NZ LYS A 77 0.672 -10.594 2.462 1.00 0.00 N ATOM 0 H LYS A 77 4.936 -4.187 4.560 1.00 0.00 H new ATOM 0 HA LYS A 77 5.174 -6.308 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.642 -6.211 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.606 -5.863 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.790 -7.999 1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.925 -8.339 3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.417 -8.329 3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.289 -8.005 2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.527 -10.137 1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.645 -10.462 3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.754 -11.612 2.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.213 -10.457 3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.100 -10.142 1.721 1.00 0.00 H new ATOM 332 N ASP A 78 6.169 -6.749 1.665 1.00 0.00 N ATOM 333 CA ASP A 78 6.884 -6.897 0.401 1.00 0.00 C ATOM 334 C ASP A 78 6.050 -7.697 -0.591 1.00 0.00 C ATOM 335 O ASP A 78 4.919 -8.080 -0.297 1.00 0.00 O ATOM 336 CB ASP A 78 8.218 -7.605 0.636 1.00 0.00 C ATOM 337 CG ASP A 78 9.097 -7.486 -0.606 1.00 0.00 C ATOM 338 OD1 ASP A 78 8.944 -6.511 -1.324 1.00 0.00 O ATOM 339 OD2 ASP A 78 9.910 -8.369 -0.818 1.00 0.00 O ATOM 0 H ASP A 78 6.430 -7.424 2.384 1.00 0.00 H new ATOM 0 HA ASP A 78 7.068 -5.905 -0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 78 8.726 -7.166 1.495 1.00 0.00 H new ATOM 0 HB3 ASP A 78 8.045 -8.655 0.870 1.00 0.00 H new ATOM 344 N THR A 79 6.612 -7.944 -1.770 1.00 0.00 N ATOM 345 CA THR A 79 5.909 -8.703 -2.804 1.00 0.00 C ATOM 346 C THR A 79 6.878 -9.609 -3.547 1.00 0.00 C ATOM 347 O THR A 79 8.053 -9.283 -3.704 1.00 0.00 O ATOM 348 CB THR A 79 5.250 -7.740 -3.792 1.00 0.00 C ATOM 349 OG1 THR A 79 4.759 -8.473 -4.906 1.00 0.00 O ATOM 350 CG2 THR A 79 6.273 -6.708 -4.269 1.00 0.00 C ATOM 0 H THR A 79 7.547 -7.633 -2.034 1.00 0.00 H new ATOM 0 HA THR A 79 5.145 -9.318 -2.328 1.00 0.00 H new ATOM 0 HB THR A 79 4.425 -7.225 -3.300 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.191 -8.152 -5.725 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.799 -6.024 -4.973 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.649 -6.146 -3.414 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.102 -7.218 -4.761 1.00 0.00 H new ATOM 358 N ASP A 80 6.377 -10.755 -4.002 1.00 0.00 N ATOM 359 CA ASP A 80 7.207 -11.714 -4.734 1.00 0.00 C ATOM 360 C ASP A 80 6.880 -11.677 -6.223 1.00 0.00 C ATOM 361 O ASP A 80 7.663 -11.168 -7.025 1.00 0.00 O ATOM 362 CB ASP A 80 6.969 -13.124 -4.193 1.00 0.00 C ATOM 363 CG ASP A 80 7.581 -13.257 -2.802 1.00 0.00 C ATOM 364 OD1 ASP A 80 8.401 -12.423 -2.453 1.00 0.00 O ATOM 365 OD2 ASP A 80 7.217 -14.188 -2.102 1.00 0.00 O ATOM 0 H ASP A 80 5.406 -11.043 -3.879 1.00 0.00 H new ATOM 0 HA ASP A 80 8.254 -11.442 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.900 -13.331 -4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.410 -13.860 -4.865 1.00 0.00 H new ATOM 370 N SER A 81 5.719 -12.215 -6.584 1.00 0.00 N ATOM 371 CA SER A 81 5.301 -12.237 -7.983 1.00 0.00 C ATOM 372 C SER A 81 4.658 -10.907 -8.365 1.00 0.00 C ATOM 373 O SER A 81 3.501 -10.649 -8.043 1.00 0.00 O ATOM 374 CB SER A 81 4.302 -13.373 -8.208 1.00 0.00 C ATOM 375 OG SER A 81 3.349 -13.373 -7.156 1.00 0.00 O ATOM 0 H SER A 81 5.056 -12.638 -5.935 1.00 0.00 H new ATOM 0 HA SER A 81 6.180 -12.397 -8.608 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.801 -13.248 -9.168 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.823 -14.330 -8.243 1.00 0.00 H new ATOM 0 HG SER A 81 3.490 -14.158 -6.587 1.00 0.00 H new ATOM 381 N GLU A 82 5.419 -10.071 -9.056 1.00 0.00 N ATOM 382 CA GLU A 82 4.920 -8.767 -9.477 1.00 0.00 C ATOM 383 C GLU A 82 3.670 -8.923 -10.332 1.00 0.00 C ATOM 384 O GLU A 82 2.782 -8.074 -10.305 1.00 0.00 O ATOM 385 CB GLU A 82 5.994 -8.024 -10.277 1.00 0.00 C ATOM 386 CG GLU A 82 7.228 -7.782 -9.390 1.00 0.00 C ATOM 387 CD GLU A 82 8.130 -9.016 -9.392 1.00 0.00 C ATOM 388 OE1 GLU A 82 7.742 -10.015 -9.975 1.00 0.00 O ATOM 389 OE2 GLU A 82 9.201 -8.942 -8.816 1.00 0.00 O ATOM 0 H GLU A 82 6.379 -10.269 -9.337 1.00 0.00 H new ATOM 0 HA GLU A 82 4.670 -8.193 -8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.274 -8.606 -11.155 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.601 -7.073 -10.636 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.782 -6.917 -9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.914 -7.554 -8.372 1.00 0.00 H new ATOM 396 N GLU A 83 3.611 -10.008 -11.092 1.00 0.00 N ATOM 397 CA GLU A 83 2.462 -10.260 -11.954 1.00 0.00 C ATOM 398 C GLU A 83 1.179 -10.349 -11.135 1.00 0.00 C ATOM 399 O GLU A 83 0.149 -9.796 -11.520 1.00 0.00 O ATOM 400 CB GLU A 83 2.668 -11.566 -12.724 1.00 0.00 C ATOM 401 CG GLU A 83 3.812 -11.402 -13.726 1.00 0.00 C ATOM 402 CD GLU A 83 3.401 -10.437 -14.833 1.00 0.00 C ATOM 403 OE1 GLU A 83 2.210 -10.237 -15.003 1.00 0.00 O ATOM 404 OE2 GLU A 83 4.282 -9.909 -15.491 1.00 0.00 O ATOM 0 H GLU A 83 4.338 -10.723 -11.130 1.00 0.00 H new ATOM 0 HA GLU A 83 2.371 -9.431 -12.655 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.893 -12.376 -12.030 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.751 -11.839 -13.246 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.701 -11.028 -13.218 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.073 -12.370 -14.154 1.00 0.00 H new ATOM 411 N GLU A 84 1.248 -11.048 -10.009 1.00 0.00 N ATOM 412 CA GLU A 84 0.084 -11.204 -9.148 1.00 0.00 C ATOM 413 C GLU A 84 -0.401 -9.848 -8.649 1.00 0.00 C ATOM 414 O GLU A 84 -1.597 -9.640 -8.448 1.00 0.00 O ATOM 415 CB GLU A 84 0.429 -12.102 -7.958 1.00 0.00 C ATOM 416 CG GLU A 84 0.644 -13.536 -8.443 1.00 0.00 C ATOM 417 CD GLU A 84 0.974 -14.443 -7.262 1.00 0.00 C ATOM 418 OE1 GLU A 84 0.981 -13.950 -6.147 1.00 0.00 O ATOM 419 OE2 GLU A 84 1.213 -15.617 -7.491 1.00 0.00 O ATOM 0 H GLU A 84 2.092 -11.513 -9.673 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.714 -11.667 -9.728 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.328 -11.736 -7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.375 -12.073 -7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.252 -13.896 -8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.454 -13.564 -9.171 1.00 0.00 H new ATOM 426 N ILE A 85 0.535 -8.930 -8.447 1.00 0.00 N ATOM 427 CA ILE A 85 0.188 -7.598 -7.974 1.00 0.00 C ATOM 428 C ILE A 85 -0.660 -6.863 -9.000 1.00 0.00 C ATOM 429 O ILE A 85 -1.659 -6.235 -8.651 1.00 0.00 O ATOM 430 CB ILE A 85 1.466 -6.799 -7.684 1.00 0.00 C ATOM 431 CG1 ILE A 85 2.358 -7.579 -6.697 1.00 0.00 C ATOM 432 CG2 ILE A 85 1.097 -5.430 -7.083 1.00 0.00 C ATOM 433 CD1 ILE A 85 1.909 -7.305 -5.253 1.00 0.00 C ATOM 0 H ILE A 85 1.532 -9.082 -8.602 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.393 -7.698 -7.057 1.00 0.00 H new ATOM 0 HB ILE A 85 2.012 -6.647 -8.615 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.300 -8.647 -6.908 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.400 -7.285 -6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.007 -4.865 -6.878 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.478 -4.877 -7.790 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.545 -5.577 -6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.544 -7.860 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.990 -6.238 -5.043 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.874 -7.622 -5.128 1.00 0.00 H new ATOM 445 N ARG A 86 -0.256 -6.940 -10.262 1.00 0.00 N ATOM 446 CA ARG A 86 -0.986 -6.273 -11.322 1.00 0.00 C ATOM 447 C ARG A 86 -2.398 -6.833 -11.429 1.00 0.00 C ATOM 448 O ARG A 86 -3.362 -6.081 -11.567 1.00 0.00 O ATOM 449 CB ARG A 86 -0.253 -6.480 -12.650 1.00 0.00 C ATOM 450 CG ARG A 86 1.056 -5.668 -12.657 1.00 0.00 C ATOM 451 CD ARG A 86 0.786 -4.249 -13.162 1.00 0.00 C ATOM 452 NE ARG A 86 0.269 -4.293 -14.525 1.00 0.00 N ATOM 453 CZ ARG A 86 1.084 -4.442 -15.563 1.00 0.00 C ATOM 454 NH1 ARG A 86 2.376 -4.447 -15.382 1.00 0.00 N ATOM 455 NH2 ARG A 86 0.592 -4.584 -16.764 1.00 0.00 N ATOM 0 H ARG A 86 0.568 -7.455 -10.571 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.047 -5.209 -11.094 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.036 -7.538 -12.795 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.889 -6.169 -13.479 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.477 -5.632 -11.652 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.793 -6.156 -13.294 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.069 -3.752 -12.508 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.704 -3.663 -13.132 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.735 -4.208 -14.684 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.760 -4.337 -14.443 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.002 -4.561 -16.179 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.418 -4.580 -16.905 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.218 -4.698 -17.561 1.00 0.00 H new ATOM 469 N GLU A 87 -2.512 -8.153 -11.357 1.00 0.00 N ATOM 470 CA GLU A 87 -3.815 -8.799 -11.445 1.00 0.00 C ATOM 471 C GLU A 87 -4.663 -8.452 -10.223 1.00 0.00 C ATOM 472 O GLU A 87 -5.857 -8.184 -10.342 1.00 0.00 O ATOM 473 CB GLU A 87 -3.640 -10.318 -11.531 1.00 0.00 C ATOM 474 CG GLU A 87 -4.987 -10.971 -11.856 1.00 0.00 C ATOM 475 CD GLU A 87 -5.376 -10.667 -13.299 1.00 0.00 C ATOM 476 OE1 GLU A 87 -4.545 -10.137 -14.017 1.00 0.00 O ATOM 477 OE2 GLU A 87 -6.504 -10.961 -13.661 1.00 0.00 O ATOM 0 H GLU A 87 -1.726 -8.792 -11.239 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.320 -8.441 -12.342 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.908 -10.567 -12.300 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.255 -10.704 -10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.924 -12.049 -11.706 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.755 -10.599 -11.177 1.00 0.00 H new ATOM 484 N ALA A 88 -4.037 -8.465 -9.050 1.00 0.00 N ATOM 485 CA ALA A 88 -4.751 -8.162 -7.815 1.00 0.00 C ATOM 486 C ALA A 88 -5.385 -6.779 -7.896 1.00 0.00 C ATOM 487 O ALA A 88 -6.516 -6.579 -7.455 1.00 0.00 O ATOM 488 CB ALA A 88 -3.782 -8.208 -6.630 1.00 0.00 C ATOM 0 H ALA A 88 -3.047 -8.680 -8.929 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.535 -8.906 -7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.321 -7.981 -5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.343 -9.203 -6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.991 -7.473 -6.778 1.00 0.00 H new ATOM 494 N PHE A 89 -4.653 -5.827 -8.465 1.00 0.00 N ATOM 495 CA PHE A 89 -5.159 -4.467 -8.595 1.00 0.00 C ATOM 496 C PHE A 89 -6.460 -4.459 -9.396 1.00 0.00 C ATOM 497 O PHE A 89 -7.437 -3.823 -8.999 1.00 0.00 O ATOM 498 CB PHE A 89 -4.121 -3.592 -9.302 1.00 0.00 C ATOM 499 CG PHE A 89 -4.590 -2.156 -9.307 1.00 0.00 C ATOM 500 CD1 PHE A 89 -4.382 -1.350 -8.181 1.00 0.00 C ATOM 501 CD2 PHE A 89 -5.233 -1.632 -10.433 1.00 0.00 C ATOM 502 CE1 PHE A 89 -4.818 -0.019 -8.183 1.00 0.00 C ATOM 503 CE2 PHE A 89 -5.668 -0.300 -10.436 1.00 0.00 C ATOM 504 CZ PHE A 89 -5.461 0.507 -9.310 1.00 0.00 C ATOM 0 H PHE A 89 -3.715 -5.971 -8.840 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.352 -4.071 -7.598 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.159 -3.670 -8.795 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.972 -3.940 -10.324 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.886 -1.755 -7.311 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.394 -2.254 -11.301 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.658 0.602 -7.314 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.163 0.104 -11.307 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.797 1.533 -9.311 1.00 0.00 H new ATOM 514 N ARG A 90 -6.465 -5.169 -10.520 1.00 0.00 N ATOM 515 CA ARG A 90 -7.658 -5.235 -11.361 1.00 0.00 C ATOM 516 C ARG A 90 -8.803 -5.909 -10.614 1.00 0.00 C ATOM 517 O ARG A 90 -9.935 -5.425 -10.623 1.00 0.00 O ATOM 518 CB ARG A 90 -7.347 -6.019 -12.637 1.00 0.00 C ATOM 519 CG ARG A 90 -6.434 -5.184 -13.539 1.00 0.00 C ATOM 520 CD ARG A 90 -6.065 -5.995 -14.782 1.00 0.00 C ATOM 521 NE ARG A 90 -5.248 -5.191 -15.683 1.00 0.00 N ATOM 522 CZ ARG A 90 -4.766 -5.701 -16.812 1.00 0.00 C ATOM 523 NH1 ARG A 90 -5.472 -6.562 -17.493 1.00 0.00 N ATOM 524 NH2 ARG A 90 -3.587 -5.339 -17.240 1.00 0.00 N ATOM 0 H ARG A 90 -5.667 -5.701 -10.868 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.958 -4.219 -11.619 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.864 -6.964 -12.388 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.271 -6.262 -13.162 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.937 -4.262 -13.830 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.532 -4.898 -12.997 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.521 -6.894 -14.491 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.970 -6.322 -15.294 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.043 -4.221 -15.443 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.394 -6.844 -17.159 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.102 -6.953 -18.359 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.036 -4.665 -16.708 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.217 -5.730 -18.106 1.00 0.00 H new ATOM 538 N VAL A 91 -8.504 -7.032 -9.967 1.00 0.00 N ATOM 539 CA VAL A 91 -9.514 -7.765 -9.216 1.00 0.00 C ATOM 540 C VAL A 91 -10.080 -6.895 -8.101 1.00 0.00 C ATOM 541 O VAL A 91 -11.286 -6.890 -7.856 1.00 0.00 O ATOM 542 CB VAL A 91 -8.905 -9.036 -8.619 1.00 0.00 C ATOM 543 CG1 VAL A 91 -9.947 -9.742 -7.747 1.00 0.00 C ATOM 544 CG2 VAL A 91 -8.470 -9.973 -9.749 1.00 0.00 C ATOM 0 H VAL A 91 -7.574 -7.451 -9.948 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.321 -8.039 -9.896 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.040 -8.772 -8.011 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.513 -10.647 -7.322 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.259 -9.077 -6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.812 -10.006 -8.355 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.036 -10.878 -9.324 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.336 -10.236 -10.357 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.728 -9.473 -10.371 1.00 0.00 H new ATOM 554 N GLU A 92 -9.200 -6.169 -7.421 1.00 0.00 N ATOM 555 CA GLU A 92 -9.627 -5.309 -6.325 1.00 0.00 C ATOM 556 C GLU A 92 -10.392 -4.104 -6.863 1.00 0.00 C ATOM 557 O GLU A 92 -11.192 -3.496 -6.154 1.00 0.00 O ATOM 558 CB GLU A 92 -8.403 -4.826 -5.535 1.00 0.00 C ATOM 559 CG GLU A 92 -8.859 -4.137 -4.245 1.00 0.00 C ATOM 560 CD GLU A 92 -9.457 -5.166 -3.292 1.00 0.00 C ATOM 561 OE1 GLU A 92 -9.327 -6.348 -3.568 1.00 0.00 O ATOM 562 OE2 GLU A 92 -10.048 -4.757 -2.308 1.00 0.00 O ATOM 0 H GLU A 92 -8.197 -6.158 -7.607 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.282 -5.881 -5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.755 -5.670 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.817 -4.134 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.014 -3.637 -3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -9.597 -3.368 -4.474 1.00 0.00 H new ATOM 569 N ASP A 93 -10.147 -3.765 -8.124 1.00 0.00 N ATOM 570 CA ASP A 93 -10.830 -2.631 -8.742 1.00 0.00 C ATOM 571 C ASP A 93 -12.146 -3.083 -9.368 1.00 0.00 C ATOM 572 O ASP A 93 -12.263 -3.181 -10.589 1.00 0.00 O ATOM 573 CB ASP A 93 -9.934 -2.015 -9.821 1.00 0.00 C ATOM 574 CG ASP A 93 -10.414 -0.607 -10.156 1.00 0.00 C ATOM 575 OD1 ASP A 93 -11.453 -0.223 -9.649 1.00 0.00 O ATOM 576 OD2 ASP A 93 -9.734 0.064 -10.913 1.00 0.00 O ATOM 0 H ASP A 93 -9.489 -4.251 -8.733 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.041 -1.887 -7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.901 -1.983 -9.473 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -9.950 -2.636 -10.717 1.00 0.00 H new ATOM 581 N LYS A 94 -13.132 -3.357 -8.523 1.00 0.00 N ATOM 582 CA LYS A 94 -14.434 -3.799 -9.007 1.00 0.00 C ATOM 583 C LYS A 94 -15.074 -2.739 -9.895 1.00 0.00 C ATOM 584 O LYS A 94 -15.668 -3.055 -10.925 1.00 0.00 O ATOM 585 CB LYS A 94 -15.356 -4.088 -7.831 1.00 0.00 C ATOM 586 CG LYS A 94 -14.818 -5.286 -7.035 1.00 0.00 C ATOM 587 CD LYS A 94 -15.873 -5.762 -6.023 1.00 0.00 C ATOM 588 CE LYS A 94 -15.855 -4.861 -4.786 1.00 0.00 C ATOM 589 NZ LYS A 94 -17.038 -5.158 -3.939 1.00 0.00 N ATOM 0 H LYS A 94 -13.057 -3.282 -7.509 1.00 0.00 H new ATOM 0 HA LYS A 94 -14.285 -4.706 -9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -15.425 -3.212 -7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.363 -4.300 -8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.561 -6.099 -7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.903 -5.005 -6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -16.862 -5.745 -6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.673 -6.794 -5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.938 -5.023 -4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.863 -3.813 -5.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -17.344 -4.291 -3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -17.812 -5.512 -4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.787 -5.880 -3.233 1.00 0.00 H new ATOM 603 N ASP A 95 -14.952 -1.480 -9.486 1.00 0.00 N ATOM 604 CA ASP A 95 -15.530 -0.380 -10.251 1.00 0.00 C ATOM 605 C ASP A 95 -14.622 -0.005 -11.418 1.00 0.00 C ATOM 606 O ASP A 95 -14.943 0.887 -12.204 1.00 0.00 O ATOM 607 CB ASP A 95 -15.729 0.836 -9.345 1.00 0.00 C ATOM 608 CG ASP A 95 -14.413 1.206 -8.669 1.00 0.00 C ATOM 609 OD1 ASP A 95 -13.517 0.380 -8.672 1.00 0.00 O ATOM 610 OD2 ASP A 95 -14.323 2.308 -8.155 1.00 0.00 O ATOM 0 H ASP A 95 -14.463 -1.197 -8.637 1.00 0.00 H new ATOM 0 HA ASP A 95 -16.494 -0.701 -10.645 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -16.096 1.679 -9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -16.485 0.618 -8.591 1.00 0.00 H new ATOM 615 N GLY A 96 -13.488 -0.687 -11.524 1.00 0.00 N ATOM 616 CA GLY A 96 -12.541 -0.417 -12.599 1.00 0.00 C ATOM 617 C GLY A 96 -12.205 1.069 -12.665 1.00 0.00 C ATOM 618 O GLY A 96 -11.743 1.566 -13.693 1.00 0.00 O ATOM 0 H GLY A 96 -13.203 -1.427 -10.883 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.630 -0.994 -12.440 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -12.962 -0.742 -13.551 1.00 0.00 H new ATOM 622 N ASN A 97 -12.437 1.773 -11.562 1.00 0.00 N ATOM 623 CA ASN A 97 -12.154 3.203 -11.506 1.00 0.00 C ATOM 624 C ASN A 97 -10.655 3.455 -11.608 1.00 0.00 C ATOM 625 O ASN A 97 -10.223 4.519 -12.049 1.00 0.00 O ATOM 626 CB ASN A 97 -12.682 3.789 -10.197 1.00 0.00 C ATOM 627 CG ASN A 97 -11.977 3.139 -9.011 1.00 0.00 C ATOM 628 OD1 ASN A 97 -11.210 2.191 -9.186 1.00 0.00 O ATOM 629 ND2 ASN A 97 -12.191 3.593 -7.806 1.00 0.00 N ATOM 0 H ASN A 97 -12.817 1.381 -10.701 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.652 3.686 -12.347 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.520 4.867 -10.180 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.757 3.627 -10.124 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.723 3.163 -7.008 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.826 4.378 -7.662 1.00 0.00 H new ATOM 636 N GLY A 98 -9.865 2.469 -11.199 1.00 0.00 N ATOM 637 CA GLY A 98 -8.409 2.593 -11.246 1.00 0.00 C ATOM 638 C GLY A 98 -7.873 3.187 -9.952 1.00 0.00 C ATOM 639 O GLY A 98 -6.757 3.703 -9.911 1.00 0.00 O ATOM 0 H GLY A 98 -10.203 1.579 -10.833 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.962 1.613 -11.414 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.121 3.223 -12.087 1.00 0.00 H new ATOM 643 N TYR A 99 -8.672 3.109 -8.892 1.00 0.00 N ATOM 644 CA TYR A 99 -8.263 3.639 -7.593 1.00 0.00 C ATOM 645 C TYR A 99 -8.784 2.758 -6.469 1.00 0.00 C ATOM 646 O TYR A 99 -9.857 2.166 -6.578 1.00 0.00 O ATOM 647 CB TYR A 99 -8.799 5.061 -7.420 1.00 0.00 C ATOM 648 CG TYR A 99 -8.198 5.956 -8.475 1.00 0.00 C ATOM 649 CD1 TYR A 99 -8.798 6.050 -9.737 1.00 0.00 C ATOM 650 CD2 TYR A 99 -7.043 6.693 -8.192 1.00 0.00 C ATOM 651 CE1 TYR A 99 -8.241 6.881 -10.716 1.00 0.00 C ATOM 652 CE2 TYR A 99 -6.485 7.524 -9.171 1.00 0.00 C ATOM 653 CZ TYR A 99 -7.084 7.619 -10.433 1.00 0.00 C ATOM 654 OH TYR A 99 -6.535 8.438 -11.398 1.00 0.00 O ATOM 0 H TYR A 99 -9.601 2.687 -8.905 1.00 0.00 H new ATOM 0 HA TYR A 99 -7.174 3.653 -7.552 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -9.886 5.064 -7.501 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -8.553 5.436 -6.426 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -9.690 5.482 -9.955 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.582 6.621 -7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -8.703 6.953 -11.690 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.593 8.092 -8.953 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.737 8.878 -11.038 1.00 0.00 H new ATOM 664 N ILE A 100 -8.017 2.675 -5.381 1.00 0.00 N ATOM 665 CA ILE A 100 -8.415 1.858 -4.233 1.00 0.00 C ATOM 666 C ILE A 100 -8.944 2.740 -3.113 1.00 0.00 C ATOM 667 O ILE A 100 -8.217 3.567 -2.564 1.00 0.00 O ATOM 668 CB ILE A 100 -7.219 1.052 -3.725 1.00 0.00 C ATOM 669 CG1 ILE A 100 -6.495 0.415 -4.915 1.00 0.00 C ATOM 670 CG2 ILE A 100 -7.702 -0.043 -2.773 1.00 0.00 C ATOM 671 CD1 ILE A 100 -7.489 -0.406 -5.750 1.00 0.00 C ATOM 0 H ILE A 100 -7.125 3.158 -5.270 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.203 1.176 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.535 1.713 -3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.040 1.189 -5.532 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.687 -0.226 -4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.847 -0.615 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.217 0.412 -1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.387 -0.707 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.969 -0.857 -6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.923 -1.191 -5.131 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.281 0.246 -6.118 1.00 0.00 H new ATOM 683 N SER A 101 -10.217 2.558 -2.775 1.00 0.00 N ATOM 684 CA SER A 101 -10.843 3.341 -1.709 1.00 0.00 C ATOM 685 C SER A 101 -10.858 2.549 -0.404 1.00 0.00 C ATOM 686 O SER A 101 -10.406 1.403 -0.356 1.00 0.00 O ATOM 687 CB SER A 101 -12.273 3.708 -2.102 1.00 0.00 C ATOM 688 OG SER A 101 -12.938 2.554 -2.600 1.00 0.00 O ATOM 0 H SER A 101 -10.835 1.879 -3.220 1.00 0.00 H new ATOM 0 HA SER A 101 -10.263 4.252 -1.562 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.808 4.105 -1.240 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.264 4.491 -2.860 1.00 0.00 H new ATOM 0 HG SER A 101 -13.856 2.788 -2.851 1.00 0.00 H new ATOM 694 N ALA A 102 -11.384 3.165 0.647 1.00 0.00 N ATOM 695 CA ALA A 102 -11.455 2.506 1.948 1.00 0.00 C ATOM 696 C ALA A 102 -12.263 1.214 1.850 1.00 0.00 C ATOM 697 O ALA A 102 -11.843 0.172 2.343 1.00 0.00 O ATOM 698 CB ALA A 102 -12.104 3.443 2.970 1.00 0.00 C ATOM 0 H ALA A 102 -11.765 4.111 0.627 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.442 2.263 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.154 2.946 3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.509 4.352 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.111 3.699 2.641 1.00 0.00 H new ATOM 704 N ALA A 103 -13.427 1.295 1.216 1.00 0.00 N ATOM 705 CA ALA A 103 -14.292 0.130 1.070 1.00 0.00 C ATOM 706 C ALA A 103 -13.508 -1.033 0.476 1.00 0.00 C ATOM 707 O ALA A 103 -13.566 -2.153 0.983 1.00 0.00 O ATOM 708 CB ALA A 103 -15.470 0.469 0.153 1.00 0.00 C ATOM 0 H ALA A 103 -13.792 2.150 0.797 1.00 0.00 H new ATOM 0 HA ALA A 103 -14.666 -0.154 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -16.113 -0.405 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -16.042 1.290 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -15.095 0.764 -0.827 1.00 0.00 H new ATOM 714 N GLU A 104 -12.755 -0.758 -0.581 1.00 0.00 N ATOM 715 CA GLU A 104 -11.944 -1.789 -1.222 1.00 0.00 C ATOM 716 C GLU A 104 -10.774 -2.181 -0.325 1.00 0.00 C ATOM 717 O GLU A 104 -10.371 -3.343 -0.281 1.00 0.00 O ATOM 718 CB GLU A 104 -11.417 -1.283 -2.563 1.00 0.00 C ATOM 719 CG GLU A 104 -12.584 -1.116 -3.538 1.00 0.00 C ATOM 720 CD GLU A 104 -12.058 -0.816 -4.936 1.00 0.00 C ATOM 721 OE1 GLU A 104 -11.007 -0.208 -5.033 1.00 0.00 O ATOM 722 OE2 GLU A 104 -12.712 -1.199 -5.889 1.00 0.00 O ATOM 0 H GLU A 104 -12.688 0.164 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.569 -2.666 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.902 -0.332 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.688 -1.985 -2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -13.187 -2.024 -3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -13.234 -0.307 -3.204 1.00 0.00 H new ATOM 729 N LEU A 105 -10.236 -1.204 0.391 1.00 0.00 N ATOM 730 CA LEU A 105 -9.119 -1.452 1.289 1.00 0.00 C ATOM 731 C LEU A 105 -9.517 -2.419 2.395 1.00 0.00 C ATOM 732 O LEU A 105 -8.696 -3.209 2.871 1.00 0.00 O ATOM 733 CB LEU A 105 -8.641 -0.137 1.914 1.00 0.00 C ATOM 734 CG LEU A 105 -7.199 -0.303 2.438 1.00 0.00 C ATOM 735 CD1 LEU A 105 -6.200 0.025 1.321 1.00 0.00 C ATOM 736 CD2 LEU A 105 -6.971 0.640 3.622 1.00 0.00 C ATOM 0 H LEU A 105 -10.554 -0.235 0.367 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.311 -1.895 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.680 0.663 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.304 0.151 2.730 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.051 -1.333 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.183 -0.094 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.358 -0.651 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.347 1.053 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.952 0.521 3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.123 1.670 3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.675 0.401 4.419 1.00 0.00 H new ATOM 748 N ARG A 106 -10.778 -2.352 2.801 1.00 0.00 N ATOM 749 CA ARG A 106 -11.282 -3.238 3.842 1.00 0.00 C ATOM 750 C ARG A 106 -11.407 -4.673 3.340 1.00 0.00 C ATOM 751 O ARG A 106 -11.142 -5.625 4.075 1.00 0.00 O ATOM 752 CB ARG A 106 -12.639 -2.742 4.346 1.00 0.00 C ATOM 753 CG ARG A 106 -12.448 -1.463 5.167 1.00 0.00 C ATOM 754 CD ARG A 106 -13.746 -1.126 5.898 1.00 0.00 C ATOM 755 NE ARG A 106 -14.786 -0.754 4.946 1.00 0.00 N ATOM 756 CZ ARG A 106 -14.923 0.503 4.534 1.00 0.00 C ATOM 757 NH1 ARG A 106 -13.930 1.340 4.657 1.00 0.00 N ATOM 758 NH2 ARG A 106 -16.050 0.898 4.009 1.00 0.00 N ATOM 0 H ARG A 106 -11.467 -1.698 2.428 1.00 0.00 H new ATOM 0 HA ARG A 106 -10.566 -3.228 4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -13.303 -2.549 3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -13.114 -3.510 4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -11.639 -1.597 5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -12.162 -0.639 4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -14.073 -1.984 6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -13.575 -0.307 6.597 1.00 0.00 H new ATOM 0 HE ARG A 106 -15.419 -1.470 4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.050 1.030 5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.034 2.304 4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -16.826 0.243 3.915 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -16.155 1.862 3.693 1.00 0.00 H new ATOM 772 N HIS A 107 -11.830 -4.818 2.090 1.00 0.00 N ATOM 773 CA HIS A 107 -12.008 -6.142 1.503 1.00 0.00 C ATOM 774 C HIS A 107 -10.708 -6.935 1.586 1.00 0.00 C ATOM 775 O HIS A 107 -10.711 -8.124 1.897 1.00 0.00 O ATOM 776 CB HIS A 107 -12.430 -6.008 0.039 1.00 0.00 C ATOM 777 CG HIS A 107 -13.761 -5.313 -0.039 1.00 0.00 C ATOM 778 ND1 HIS A 107 -14.473 -5.209 -1.224 1.00 0.00 N ATOM 779 CD2 HIS A 107 -14.519 -4.673 0.911 1.00 0.00 C ATOM 780 CE1 HIS A 107 -15.605 -4.531 -0.958 1.00 0.00 C ATOM 781 NE2 HIS A 107 -15.683 -4.181 0.328 1.00 0.00 N ATOM 0 H HIS A 107 -12.055 -4.042 1.467 1.00 0.00 H new ATOM 0 HA HIS A 107 -12.783 -6.669 2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -11.680 -5.444 -0.516 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -12.495 -6.993 -0.423 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -14.252 -4.568 1.952 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -16.359 -4.298 -1.696 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -16.434 -3.664 0.785 1.00 0.00 H new ATOM 789 N VAL A 108 -9.595 -6.268 1.314 1.00 0.00 N ATOM 790 CA VAL A 108 -8.295 -6.923 1.372 1.00 0.00 C ATOM 791 C VAL A 108 -7.986 -7.367 2.799 1.00 0.00 C ATOM 792 O VAL A 108 -7.525 -8.481 3.024 1.00 0.00 O ATOM 793 CB VAL A 108 -7.203 -5.966 0.884 1.00 0.00 C ATOM 794 CG1 VAL A 108 -5.825 -6.593 1.112 1.00 0.00 C ATOM 795 CG2 VAL A 108 -7.396 -5.699 -0.610 1.00 0.00 C ATOM 0 H VAL A 108 -9.565 -5.282 1.053 1.00 0.00 H new ATOM 0 HA VAL A 108 -8.321 -7.801 0.726 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.269 -5.030 1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.052 -5.909 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.685 -6.787 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.756 -7.530 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.621 -5.018 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.330 -6.638 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.375 -5.250 -0.776 1.00 0.00 H new ATOM 805 N MET A 109 -8.233 -6.482 3.757 1.00 0.00 N ATOM 806 CA MET A 109 -7.964 -6.793 5.159 1.00 0.00 C ATOM 807 C MET A 109 -8.863 -7.927 5.636 1.00 0.00 C ATOM 808 O MET A 109 -8.422 -8.805 6.380 1.00 0.00 O ATOM 809 CB MET A 109 -8.206 -5.548 6.020 1.00 0.00 C ATOM 810 CG MET A 109 -7.062 -4.551 5.815 1.00 0.00 C ATOM 811 SD MET A 109 -5.534 -5.217 6.524 1.00 0.00 S ATOM 812 CE MET A 109 -4.814 -3.642 7.039 1.00 0.00 C ATOM 0 H MET A 109 -8.616 -5.551 3.593 1.00 0.00 H new ATOM 0 HA MET A 109 -6.924 -7.106 5.254 1.00 0.00 H new ATOM 0 HB2 MET A 109 -9.156 -5.087 5.751 1.00 0.00 H new ATOM 0 HB3 MET A 109 -8.274 -5.828 7.071 1.00 0.00 H new ATOM 0 HG2 MET A 109 -6.925 -4.354 4.752 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.308 -3.599 6.286 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.727 -3.727 7.056 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.106 -2.861 6.337 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.173 -3.386 8.036 1.00 0.00 H new ATOM 822 N THR A 110 -10.122 -7.907 5.208 1.00 0.00 N ATOM 823 CA THR A 110 -11.068 -8.935 5.605 1.00 0.00 C ATOM 824 C THR A 110 -10.581 -10.309 5.156 1.00 0.00 C ATOM 825 O THR A 110 -10.822 -11.312 5.830 1.00 0.00 O ATOM 826 CB THR A 110 -12.435 -8.644 4.984 1.00 0.00 C ATOM 827 OG1 THR A 110 -12.280 -8.379 3.598 1.00 0.00 O ATOM 828 CG2 THR A 110 -13.072 -7.435 5.671 1.00 0.00 C ATOM 0 H THR A 110 -10.506 -7.192 4.589 1.00 0.00 H new ATOM 0 HA THR A 110 -11.154 -8.932 6.692 1.00 0.00 H new ATOM 0 HB THR A 110 -13.082 -9.511 5.118 1.00 0.00 H new ATOM 0 HG1 THR A 110 -11.345 -8.522 3.340 1.00 0.00 H new ATOM 0 HG21 THR A 110 -14.045 -7.233 5.224 1.00 0.00 H new ATOM 0 HG22 THR A 110 -13.197 -7.644 6.733 1.00 0.00 H new ATOM 0 HG23 THR A 110 -12.428 -6.564 5.546 1.00 0.00 H new ATOM 836 N ASN A 111 -9.882 -10.345 4.029 1.00 0.00 N ATOM 837 CA ASN A 111 -9.353 -11.601 3.509 1.00 0.00 C ATOM 838 C ASN A 111 -8.324 -12.182 4.476 1.00 0.00 C ATOM 839 O ASN A 111 -8.280 -13.391 4.699 1.00 0.00 O ATOM 840 CB ASN A 111 -8.707 -11.372 2.143 1.00 0.00 C ATOM 841 CG ASN A 111 -8.171 -12.690 1.592 1.00 0.00 C ATOM 842 OD1 ASN A 111 -8.001 -13.654 2.339 1.00 0.00 O ATOM 843 ND2 ASN A 111 -7.896 -12.790 0.322 1.00 0.00 N ATOM 0 H ASN A 111 -9.669 -9.526 3.460 1.00 0.00 H new ATOM 0 HA ASN A 111 -10.176 -12.308 3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -9.437 -10.950 1.452 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -7.896 -10.649 2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -7.539 -13.668 -0.055 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -8.038 -11.990 -0.295 1.00 0.00 H new ATOM 850 N LEU A 112 -7.498 -11.312 5.049 1.00 0.00 N ATOM 851 CA LEU A 112 -6.476 -11.753 5.991 1.00 0.00 C ATOM 852 C LEU A 112 -7.103 -12.080 7.340 1.00 0.00 C ATOM 853 O LEU A 112 -6.445 -12.636 8.218 1.00 0.00 O ATOM 854 CB LEU A 112 -5.416 -10.650 6.165 1.00 0.00 C ATOM 855 CG LEU A 112 -4.374 -10.751 5.050 1.00 0.00 C ATOM 856 CD1 LEU A 112 -5.046 -10.523 3.699 1.00 0.00 C ATOM 857 CD2 LEU A 112 -3.291 -9.698 5.271 1.00 0.00 C ATOM 0 H LEU A 112 -7.516 -10.306 4.879 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.002 -12.652 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.892 -9.669 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.932 -10.748 7.137 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.922 -11.743 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.302 -10.595 2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.816 -11.278 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.500 -9.532 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.547 -9.769 4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.741 -8.705 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.810 -9.867 6.234 1.00 0.00 H new ATOM 869 N GLY A 113 -8.372 -11.733 7.498 1.00 0.00 N ATOM 870 CA GLY A 113 -9.079 -11.997 8.749 1.00 0.00 C ATOM 871 C GLY A 113 -8.935 -10.824 9.711 1.00 0.00 C ATOM 872 O GLY A 113 -9.446 -10.864 10.830 1.00 0.00 O ATOM 0 H GLY A 113 -8.933 -11.271 6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.134 -12.178 8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -8.684 -12.902 9.211 1.00 0.00 H new ATOM 876 N GLU A 114 -8.239 -9.782 9.269 1.00 0.00 N ATOM 877 CA GLU A 114 -8.037 -8.602 10.102 1.00 0.00 C ATOM 878 C GLU A 114 -9.274 -7.718 10.073 1.00 0.00 C ATOM 879 O GLU A 114 -9.774 -7.374 9.004 1.00 0.00 O ATOM 880 CB GLU A 114 -6.830 -7.809 9.599 1.00 0.00 C ATOM 881 CG GLU A 114 -5.564 -8.649 9.757 1.00 0.00 C ATOM 882 CD GLU A 114 -5.253 -8.852 11.236 1.00 0.00 C ATOM 883 OE1 GLU A 114 -5.727 -8.061 12.034 1.00 0.00 O ATOM 884 OE2 GLU A 114 -4.543 -9.794 11.549 1.00 0.00 O ATOM 0 H GLU A 114 -7.808 -9.730 8.346 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.856 -8.926 11.127 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.971 -7.538 8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.734 -6.879 10.159 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -5.695 -9.615 9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.726 -8.155 9.265 1.00 0.00 H new ATOM 891 N LYS A 115 -9.764 -7.348 11.255 1.00 0.00 N ATOM 892 CA LYS A 115 -10.950 -6.496 11.363 1.00 0.00 C ATOM 893 C LYS A 115 -10.597 -5.177 12.031 1.00 0.00 C ATOM 894 O LYS A 115 -10.276 -5.139 13.216 1.00 0.00 O ATOM 895 CB LYS A 115 -12.029 -7.207 12.176 1.00 0.00 C ATOM 896 CG LYS A 115 -12.564 -8.398 11.382 1.00 0.00 C ATOM 897 CD LYS A 115 -13.640 -9.115 12.201 1.00 0.00 C ATOM 898 CE LYS A 115 -14.166 -10.315 11.412 1.00 0.00 C ATOM 899 NZ LYS A 115 -15.210 -11.017 12.213 1.00 0.00 N ATOM 0 H LYS A 115 -9.360 -7.623 12.150 1.00 0.00 H new ATOM 0 HA LYS A 115 -11.325 -6.295 10.359 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.619 -7.545 13.127 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.840 -6.516 12.406 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -12.980 -8.059 10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -11.752 -9.086 11.147 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.227 -9.446 13.154 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -14.456 -8.429 12.428 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.583 -9.984 10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -13.349 -10.998 11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -15.568 -11.833 11.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -14.797 -11.345 13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.993 -10.363 12.412 1.00 0.00 H new ATOM 913 N LEU A 116 -10.657 -4.093 11.258 1.00 0.00 N ATOM 914 CA LEU A 116 -10.344 -2.757 11.776 1.00 0.00 C ATOM 915 C LEU A 116 -11.571 -1.862 11.721 1.00 0.00 C ATOM 916 O LEU A 116 -12.516 -2.132 10.981 1.00 0.00 O ATOM 917 CB LEU A 116 -9.216 -2.132 10.955 1.00 0.00 C ATOM 918 CG LEU A 116 -7.964 -3.017 11.043 1.00 0.00 C ATOM 919 CD1 LEU A 116 -6.878 -2.452 10.125 1.00 0.00 C ATOM 920 CD2 LEU A 116 -7.445 -3.052 12.495 1.00 0.00 C ATOM 0 H LEU A 116 -10.919 -4.111 10.272 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.027 -2.854 12.814 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.526 -2.025 9.915 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.993 -1.132 11.326 1.00 0.00 H new ATOM 0 HG LEU A 116 -8.218 -4.030 10.731 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.988 -3.079 10.186 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.242 -2.437 9.098 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.629 -1.438 10.437 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.557 -3.682 12.549 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.193 -2.041 12.816 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.218 -3.458 13.148 1.00 0.00 H new ATOM 932 N THR A 117 -11.550 -0.798 12.517 1.00 0.00 N ATOM 933 CA THR A 117 -12.669 0.133 12.556 1.00 0.00 C ATOM 934 C THR A 117 -12.634 1.059 11.347 1.00 0.00 C ATOM 935 O THR A 117 -11.631 1.143 10.646 1.00 0.00 O ATOM 936 CB THR A 117 -12.618 0.966 13.838 1.00 0.00 C ATOM 937 OG1 THR A 117 -12.357 0.114 14.947 1.00 0.00 O ATOM 938 CG2 THR A 117 -13.953 1.683 14.051 1.00 0.00 C ATOM 0 H THR A 117 -10.777 -0.561 13.139 1.00 0.00 H new ATOM 0 HA THR A 117 -13.594 -0.443 12.536 1.00 0.00 H new ATOM 0 HB THR A 117 -11.824 1.708 13.749 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.612 0.477 15.471 1.00 0.00 H new ATOM 0 HG21 THR A 117 -13.907 2.273 14.966 1.00 0.00 H new ATOM 0 HG22 THR A 117 -14.152 2.340 13.205 1.00 0.00 H new ATOM 0 HG23 THR A 117 -14.752 0.947 14.134 1.00 0.00 H new ATOM 946 N ASP A 118 -13.739 1.750 11.107 1.00 0.00 N ATOM 947 CA ASP A 118 -13.827 2.666 9.974 1.00 0.00 C ATOM 948 C ASP A 118 -12.840 3.818 10.140 1.00 0.00 C ATOM 949 O ASP A 118 -12.216 4.253 9.172 1.00 0.00 O ATOM 950 CB ASP A 118 -15.258 3.216 9.857 1.00 0.00 C ATOM 951 CG ASP A 118 -16.165 2.196 9.169 1.00 0.00 C ATOM 952 OD1 ASP A 118 -15.657 1.184 8.715 1.00 0.00 O ATOM 953 OD2 ASP A 118 -17.356 2.443 9.109 1.00 0.00 O ATOM 0 H ASP A 118 -14.584 1.696 11.676 1.00 0.00 H new ATOM 0 HA ASP A 118 -13.575 2.121 9.064 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -15.647 3.449 10.848 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -15.252 4.147 9.291 1.00 0.00 H new ATOM 958 N GLU A 119 -12.717 4.317 11.366 1.00 0.00 N ATOM 959 CA GLU A 119 -11.813 5.421 11.640 1.00 0.00 C ATOM 960 C GLU A 119 -10.366 4.991 11.440 1.00 0.00 C ATOM 961 O GLU A 119 -9.546 5.754 10.931 1.00 0.00 O ATOM 962 CB GLU A 119 -12.015 5.907 13.076 1.00 0.00 C ATOM 963 CG GLU A 119 -13.426 6.478 13.236 1.00 0.00 C ATOM 964 CD GLU A 119 -13.582 7.737 12.390 1.00 0.00 C ATOM 965 OE1 GLU A 119 -12.569 8.317 12.034 1.00 0.00 O ATOM 966 OE2 GLU A 119 -14.712 8.101 12.106 1.00 0.00 O ATOM 0 H GLU A 119 -13.230 3.975 12.179 1.00 0.00 H new ATOM 0 HA GLU A 119 -12.033 6.233 10.946 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -11.865 5.083 13.773 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.275 6.669 13.319 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.164 5.734 12.934 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -13.616 6.709 14.284 1.00 0.00 H new ATOM 973 N GLU A 120 -10.057 3.765 11.845 1.00 0.00 N ATOM 974 CA GLU A 120 -8.701 3.246 11.708 1.00 0.00 C ATOM 975 C GLU A 120 -8.311 3.164 10.237 1.00 0.00 C ATOM 976 O GLU A 120 -7.174 3.461 9.870 1.00 0.00 O ATOM 977 CB GLU A 120 -8.608 1.852 12.353 1.00 0.00 C ATOM 978 CG GLU A 120 -8.352 1.993 13.855 1.00 0.00 C ATOM 979 CD GLU A 120 -9.439 2.849 14.496 1.00 0.00 C ATOM 980 OE1 GLU A 120 -9.525 4.016 14.157 1.00 0.00 O ATOM 981 OE2 GLU A 120 -10.168 2.324 15.321 1.00 0.00 O ATOM 0 H GLU A 120 -10.721 3.116 12.268 1.00 0.00 H new ATOM 0 HA GLU A 120 -8.013 3.923 12.215 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.532 1.300 12.182 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -7.804 1.280 11.890 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.332 1.008 14.322 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -7.375 2.446 14.024 1.00 0.00 H new ATOM 988 N VAL A 121 -9.256 2.752 9.403 1.00 0.00 N ATOM 989 CA VAL A 121 -8.999 2.633 7.975 1.00 0.00 C ATOM 990 C VAL A 121 -8.718 4.005 7.368 1.00 0.00 C ATOM 991 O VAL A 121 -7.799 4.164 6.566 1.00 0.00 O ATOM 992 CB VAL A 121 -10.200 1.993 7.276 1.00 0.00 C ATOM 993 CG1 VAL A 121 -9.977 1.997 5.761 1.00 0.00 C ATOM 994 CG2 VAL A 121 -10.362 0.550 7.764 1.00 0.00 C ATOM 0 H VAL A 121 -10.201 2.496 9.688 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.123 2.000 7.833 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.100 2.562 7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.834 1.541 5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -9.861 3.023 5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -9.077 1.430 5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -11.217 0.092 7.267 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -9.460 -0.016 7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.524 0.546 8.842 1.00 0.00 H new ATOM 1004 N ASP A 122 -9.526 4.990 7.750 1.00 0.00 N ATOM 1005 CA ASP A 122 -9.361 6.341 7.227 1.00 0.00 C ATOM 1006 C ASP A 122 -7.980 6.883 7.577 1.00 0.00 C ATOM 1007 O ASP A 122 -7.303 7.474 6.737 1.00 0.00 O ATOM 1008 CB ASP A 122 -10.433 7.260 7.818 1.00 0.00 C ATOM 1009 CG ASP A 122 -10.521 8.549 7.007 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -10.759 8.458 5.814 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -10.349 9.607 7.590 1.00 0.00 O ATOM 0 H ASP A 122 -10.293 4.880 8.413 1.00 0.00 H new ATOM 0 HA ASP A 122 -9.464 6.308 6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -11.398 6.754 7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -10.194 7.490 8.856 1.00 0.00 H new ATOM 1016 N GLU A 123 -7.568 6.674 8.822 1.00 0.00 N ATOM 1017 CA GLU A 123 -6.261 7.144 9.274 1.00 0.00 C ATOM 1018 C GLU A 123 -5.143 6.401 8.551 1.00 0.00 C ATOM 1019 O GLU A 123 -4.110 6.983 8.218 1.00 0.00 O ATOM 1020 CB GLU A 123 -6.122 6.935 10.783 1.00 0.00 C ATOM 1021 CG GLU A 123 -7.078 7.874 11.519 1.00 0.00 C ATOM 1022 CD GLU A 123 -7.040 7.588 13.016 1.00 0.00 C ATOM 1023 OE1 GLU A 123 -6.245 6.756 13.420 1.00 0.00 O ATOM 1024 OE2 GLU A 123 -7.806 8.206 13.737 1.00 0.00 O ATOM 0 H GLU A 123 -8.114 6.186 9.532 1.00 0.00 H new ATOM 0 HA GLU A 123 -6.182 8.207 9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -6.344 5.899 11.039 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -5.095 7.127 11.094 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -6.799 8.911 11.331 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -8.092 7.743 11.141 1.00 0.00 H new ATOM 1031 N MET A 124 -5.354 5.109 8.313 1.00 0.00 N ATOM 1032 CA MET A 124 -4.356 4.296 7.630 1.00 0.00 C ATOM 1033 C MET A 124 -4.106 4.827 6.223 1.00 0.00 C ATOM 1034 O MET A 124 -2.961 4.910 5.778 1.00 0.00 O ATOM 1035 CB MET A 124 -4.827 2.843 7.557 1.00 0.00 C ATOM 1036 CG MET A 124 -3.771 1.995 6.843 1.00 0.00 C ATOM 1037 SD MET A 124 -4.268 0.256 6.877 1.00 0.00 S ATOM 1038 CE MET A 124 -2.605 -0.453 6.922 1.00 0.00 C ATOM 0 H MET A 124 -6.201 4.607 8.581 1.00 0.00 H new ATOM 0 HA MET A 124 -3.425 4.345 8.194 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.001 2.456 8.561 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.776 2.784 7.024 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.656 2.331 5.813 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.803 2.117 7.328 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.674 -1.541 6.947 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.054 -0.145 6.034 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.084 -0.102 7.812 1.00 0.00 H new ATOM 1048 N ILE A 125 -5.182 5.181 5.524 1.00 0.00 N ATOM 1049 CA ILE A 125 -5.053 5.699 4.175 1.00 0.00 C ATOM 1050 C ILE A 125 -4.284 7.007 4.170 1.00 0.00 C ATOM 1051 O ILE A 125 -3.417 7.210 3.328 1.00 0.00 O ATOM 1052 CB ILE A 125 -6.447 5.923 3.574 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -7.127 4.569 3.353 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -6.329 6.658 2.233 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -6.353 3.736 2.307 1.00 0.00 C ATOM 0 H ILE A 125 -6.140 5.118 5.869 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.505 4.971 3.577 1.00 0.00 H new ATOM 0 HB ILE A 125 -7.040 6.527 4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.178 4.023 4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -8.153 4.722 3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.323 6.812 1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -5.847 7.623 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -5.733 6.061 1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -6.852 2.777 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -6.325 4.276 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -5.335 3.566 2.658 1.00 0.00 H new ATOM 1067 N ARG A 126 -4.611 7.887 5.102 1.00 0.00 N ATOM 1068 CA ARG A 126 -3.946 9.181 5.179 1.00 0.00 C ATOM 1069 C ARG A 126 -2.452 9.008 5.410 1.00 0.00 C ATOM 1070 O ARG A 126 -1.635 9.689 4.791 1.00 0.00 O ATOM 1071 CB ARG A 126 -4.549 10.005 6.319 1.00 0.00 C ATOM 1072 CG ARG A 126 -5.962 10.450 5.940 1.00 0.00 C ATOM 1073 CD ARG A 126 -6.579 11.230 7.103 1.00 0.00 C ATOM 1074 NE ARG A 126 -7.942 11.641 6.769 1.00 0.00 N ATOM 1075 CZ ARG A 126 -8.194 12.820 6.210 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -7.645 13.130 5.069 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -8.984 13.668 6.808 1.00 0.00 N ATOM 0 H ARG A 126 -5.327 7.733 5.812 1.00 0.00 H new ATOM 0 HA ARG A 126 -4.093 9.701 4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -4.577 9.413 7.234 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -3.925 10.875 6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -5.931 11.073 5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -6.577 9.582 5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -6.587 10.612 8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -5.971 12.107 7.325 1.00 0.00 H new ATOM 0 HE ARG A 126 -8.717 11.009 6.970 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -7.023 12.468 4.606 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -7.838 14.035 4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -9.408 13.426 7.704 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -9.178 14.573 6.380 1.00 0.00 H new ATOM 1091 N GLU A 127 -2.099 8.091 6.303 1.00 0.00 N ATOM 1092 CA GLU A 127 -0.698 7.834 6.607 1.00 0.00 C ATOM 1093 C GLU A 127 -0.001 7.181 5.418 1.00 0.00 C ATOM 1094 O GLU A 127 1.180 7.424 5.168 1.00 0.00 O ATOM 1095 CB GLU A 127 -0.586 6.920 7.829 1.00 0.00 C ATOM 1096 CG GLU A 127 -1.080 7.665 9.069 1.00 0.00 C ATOM 1097 CD GLU A 127 -1.061 6.736 10.278 1.00 0.00 C ATOM 1098 OE1 GLU A 127 -0.683 5.588 10.112 1.00 0.00 O ATOM 1099 OE2 GLU A 127 -1.425 7.185 11.353 1.00 0.00 O ATOM 0 H GLU A 127 -2.760 7.516 6.826 1.00 0.00 H new ATOM 0 HA GLU A 127 -0.213 8.787 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.176 6.016 7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.448 6.606 7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.448 8.533 9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.091 8.037 8.901 1.00 0.00 H new ATOM 1106 N ALA A 128 -0.735 6.340 4.695 1.00 0.00 N ATOM 1107 CA ALA A 128 -0.172 5.646 3.541 1.00 0.00 C ATOM 1108 C ALA A 128 -0.196 6.544 2.307 1.00 0.00 C ATOM 1109 O ALA A 128 0.625 6.389 1.404 1.00 0.00 O ATOM 1110 CB ALA A 128 -0.973 4.373 3.261 1.00 0.00 C ATOM 0 H ALA A 128 -1.713 6.124 4.886 1.00 0.00 H new ATOM 0 HA ALA A 128 0.863 5.387 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.549 3.859 2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.931 3.718 4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.011 4.634 3.053 1.00 0.00 H new ATOM 1116 N ASP A 129 -1.141 7.478 2.277 1.00 0.00 N ATOM 1117 CA ASP A 129 -1.263 8.388 1.144 1.00 0.00 C ATOM 1118 C ASP A 129 -0.026 9.273 1.038 1.00 0.00 C ATOM 1119 O ASP A 129 0.199 10.151 1.872 1.00 0.00 O ATOM 1120 CB ASP A 129 -2.504 9.265 1.312 1.00 0.00 C ATOM 1121 CG ASP A 129 -2.796 9.996 0.018 1.00 0.00 C ATOM 1122 OD1 ASP A 129 -1.950 9.972 -0.852 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -3.867 10.562 -0.084 1.00 0.00 O ATOM 0 H ASP A 129 -1.828 7.624 3.017 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.356 7.797 0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -3.359 8.651 1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.347 9.982 2.118 1.00 0.00 H new ATOM 1128 N ILE A 130 0.786 9.021 0.016 1.00 0.00 N ATOM 1129 CA ILE A 130 2.006 9.791 -0.185 1.00 0.00 C ATOM 1130 C ILE A 130 1.686 11.220 -0.607 1.00 0.00 C ATOM 1131 O ILE A 130 2.297 12.173 -0.125 1.00 0.00 O ATOM 1132 CB ILE A 130 2.872 9.127 -1.257 1.00 0.00 C ATOM 1133 CG1 ILE A 130 3.137 7.671 -0.865 1.00 0.00 C ATOM 1134 CG2 ILE A 130 4.205 9.870 -1.371 1.00 0.00 C ATOM 1135 CD1 ILE A 130 3.790 6.935 -2.038 1.00 0.00 C ATOM 0 H ILE A 130 0.622 8.294 -0.681 1.00 0.00 H new ATOM 0 HA ILE A 130 2.548 9.819 0.760 1.00 0.00 H new ATOM 0 HB ILE A 130 2.353 9.161 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 130 3.787 7.632 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 130 2.203 7.182 -0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 130 4.821 9.396 -2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 130 4.020 10.908 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 130 4.724 9.835 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 130 3.978 5.899 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.124 6.963 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 130 4.733 7.419 -2.292 1.00 0.00 H new ATOM 1147 N ASP A 131 0.738 11.360 -1.532 1.00 0.00 N ATOM 1148 CA ASP A 131 0.356 12.678 -2.036 1.00 0.00 C ATOM 1149 C ASP A 131 -0.811 13.242 -1.237 1.00 0.00 C ATOM 1150 O ASP A 131 -1.374 14.277 -1.591 1.00 0.00 O ATOM 1151 CB ASP A 131 -0.027 12.578 -3.514 1.00 0.00 C ATOM 1152 CG ASP A 131 -1.110 11.526 -3.703 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -1.834 11.283 -2.759 1.00 0.00 O ATOM 1154 OD2 ASP A 131 -1.205 10.984 -4.791 1.00 0.00 O ATOM 0 H ASP A 131 0.223 10.583 -1.946 1.00 0.00 H new ATOM 0 HA ASP A 131 1.207 13.350 -1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -0.381 13.545 -3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.850 12.320 -4.108 1.00 0.00 H new ATOM 1159 N GLY A 132 -1.168 12.558 -0.152 1.00 0.00 N ATOM 1160 CA GLY A 132 -2.265 13.012 0.695 1.00 0.00 C ATOM 1161 C GLY A 132 -3.455 13.456 -0.146 1.00 0.00 C ATOM 1162 O GLY A 132 -4.082 14.473 0.143 1.00 0.00 O ATOM 0 H GLY A 132 -0.718 11.697 0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -2.569 12.208 1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -1.928 13.839 1.321 1.00 0.00 H new ATOM 1166 N ASP A 133 -3.756 12.695 -1.196 1.00 0.00 N ATOM 1167 CA ASP A 133 -4.871 13.030 -2.077 1.00 0.00 C ATOM 1168 C ASP A 133 -6.158 12.381 -1.574 1.00 0.00 C ATOM 1169 O ASP A 133 -7.224 12.568 -2.156 1.00 0.00 O ATOM 1170 CB ASP A 133 -4.579 12.545 -3.498 1.00 0.00 C ATOM 1171 CG ASP A 133 -4.315 11.044 -3.496 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -4.154 10.494 -2.421 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -4.269 10.468 -4.570 1.00 0.00 O ATOM 0 H ASP A 133 -3.248 11.849 -1.456 1.00 0.00 H new ATOM 0 HA ASP A 133 -4.995 14.113 -2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -5.423 12.773 -4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -3.715 13.073 -3.900 1.00 0.00 H new ATOM 1178 N GLY A 134 -6.047 11.618 -0.492 1.00 0.00 N ATOM 1179 CA GLY A 134 -7.206 10.944 0.080 1.00 0.00 C ATOM 1180 C GLY A 134 -7.558 9.698 -0.719 1.00 0.00 C ATOM 1181 O GLY A 134 -8.435 8.929 -0.330 1.00 0.00 O ATOM 0 H GLY A 134 -5.171 11.452 0.004 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -6.999 10.671 1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.057 11.625 0.094 1.00 0.00 H new ATOM 1185 N GLN A 135 -6.868 9.497 -1.839 1.00 0.00 N ATOM 1186 CA GLN A 135 -7.119 8.330 -2.687 1.00 0.00 C ATOM 1187 C GLN A 135 -5.801 7.706 -3.125 1.00 0.00 C ATOM 1188 O GLN A 135 -4.789 8.393 -3.261 1.00 0.00 O ATOM 1189 CB GLN A 135 -7.926 8.751 -3.920 1.00 0.00 C ATOM 1190 CG GLN A 135 -8.442 7.506 -4.644 1.00 0.00 C ATOM 1191 CD GLN A 135 -9.504 6.814 -3.795 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -10.296 7.480 -3.128 1.00 0.00 O ATOM 1193 NE2 GLN A 135 -9.568 5.511 -3.778 1.00 0.00 N ATOM 0 H GLN A 135 -6.136 10.120 -2.180 1.00 0.00 H new ATOM 0 HA GLN A 135 -7.686 7.594 -2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.762 9.383 -3.622 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.303 9.342 -4.591 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -8.862 7.785 -5.611 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -7.617 6.821 -4.840 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -8.911 4.961 -4.331 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -10.275 5.042 -3.211 1.00 0.00 H new ATOM 1202 N VAL A 136 -5.819 6.398 -3.355 1.00 0.00 N ATOM 1203 CA VAL A 136 -4.617 5.685 -3.784 1.00 0.00 C ATOM 1204 C VAL A 136 -4.618 5.511 -5.298 1.00 0.00 C ATOM 1205 O VAL A 136 -5.563 4.973 -5.873 1.00 0.00 O ATOM 1206 CB VAL A 136 -4.564 4.313 -3.114 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -3.305 3.575 -3.569 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -4.531 4.492 -1.595 1.00 0.00 C ATOM 0 H VAL A 136 -6.647 5.811 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.742 6.267 -3.494 1.00 0.00 H new ATOM 0 HB VAL A 136 -5.445 3.735 -3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -3.265 2.596 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.327 3.451 -4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.424 4.152 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -4.493 3.515 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -3.649 5.068 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -5.427 5.021 -1.271 1.00 0.00 H new ATOM 1218 N ASN A 137 -3.549 5.978 -5.941 1.00 0.00 N ATOM 1219 CA ASN A 137 -3.431 5.875 -7.395 1.00 0.00 C ATOM 1220 C ASN A 137 -2.663 4.616 -7.782 1.00 0.00 C ATOM 1221 O ASN A 137 -2.082 3.943 -6.929 1.00 0.00 O ATOM 1222 CB ASN A 137 -2.709 7.107 -7.946 1.00 0.00 C ATOM 1223 CG ASN A 137 -1.480 7.415 -7.100 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -0.383 6.948 -7.404 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -1.599 8.175 -6.046 1.00 0.00 N ATOM 0 H ASN A 137 -2.757 6.428 -5.482 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.433 5.819 -7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.414 6.933 -8.981 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.383 7.963 -7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -0.782 8.383 -5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.509 8.561 -5.796 1.00 0.00 H new ATOM 1232 N TYR A 138 -2.671 4.298 -9.072 1.00 0.00 N ATOM 1233 CA TYR A 138 -1.977 3.113 -9.561 1.00 0.00 C ATOM 1234 C TYR A 138 -0.482 3.211 -9.274 1.00 0.00 C ATOM 1235 O TYR A 138 0.122 2.280 -8.742 1.00 0.00 O ATOM 1236 CB TYR A 138 -2.198 2.964 -11.065 1.00 0.00 C ATOM 1237 CG TYR A 138 -1.438 1.760 -11.570 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -2.005 0.484 -11.473 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -0.168 1.921 -12.134 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -1.300 -0.632 -11.940 1.00 0.00 C ATOM 1241 CE2 TYR A 138 0.536 0.807 -12.601 1.00 0.00 C ATOM 1242 CZ TYR A 138 -0.029 -0.470 -12.505 1.00 0.00 C ATOM 1243 OH TYR A 138 0.668 -1.567 -12.965 1.00 0.00 O ATOM 0 H TYR A 138 -3.147 4.840 -9.793 1.00 0.00 H new ATOM 0 HA TYR A 138 -2.379 2.241 -9.045 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.261 2.851 -11.278 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -1.863 3.862 -11.583 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.986 0.360 -11.038 1.00 0.00 H new ATOM 0 HD2 TYR A 138 0.269 2.906 -12.209 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -1.736 -1.617 -11.864 1.00 0.00 H new ATOM 0 HE2 TYR A 138 1.517 0.932 -13.036 1.00 0.00 H new ATOM 0 HH TYR A 138 1.531 -1.278 -13.327 1.00 0.00 H new ATOM 1253 N GLU A 139 0.106 4.348 -9.627 1.00 0.00 N ATOM 1254 CA GLU A 139 1.531 4.561 -9.400 1.00 0.00 C ATOM 1255 C GLU A 139 1.861 4.441 -7.911 1.00 0.00 C ATOM 1256 O GLU A 139 2.907 3.905 -7.545 1.00 0.00 O ATOM 1257 CB GLU A 139 1.942 5.945 -9.904 1.00 0.00 C ATOM 1258 CG GLU A 139 1.844 5.984 -11.430 1.00 0.00 C ATOM 1259 CD GLU A 139 2.147 7.391 -11.936 1.00 0.00 C ATOM 1260 OE1 GLU A 139 2.426 8.248 -11.114 1.00 0.00 O ATOM 1261 OE2 GLU A 139 2.094 7.590 -13.139 1.00 0.00 O ATOM 0 H GLU A 139 -0.377 5.131 -10.068 1.00 0.00 H new ATOM 0 HA GLU A 139 2.084 3.797 -9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 139 1.297 6.708 -9.468 1.00 0.00 H new ATOM 0 HB3 GLU A 139 2.961 6.170 -9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.546 5.273 -11.866 1.00 0.00 H new ATOM 0 HG3 GLU A 139 0.846 5.682 -11.746 1.00 0.00 H new ATOM 1268 N GLU A 140 0.963 4.932 -7.053 1.00 0.00 N ATOM 1269 CA GLU A 140 1.169 4.865 -5.628 1.00 0.00 C ATOM 1270 C GLU A 140 0.939 3.444 -5.126 1.00 0.00 C ATOM 1271 O GLU A 140 1.617 2.987 -4.206 1.00 0.00 O ATOM 1272 CB GLU A 140 0.202 5.828 -4.929 1.00 0.00 C ATOM 1273 CG GLU A 140 0.303 5.638 -3.425 1.00 0.00 C ATOM 1274 CD GLU A 140 -0.364 6.801 -2.692 1.00 0.00 C ATOM 1275 OE1 GLU A 140 0.189 7.887 -2.714 1.00 0.00 O ATOM 1276 OE2 GLU A 140 -1.423 6.588 -2.122 1.00 0.00 O ATOM 0 H GLU A 140 0.090 5.378 -7.334 1.00 0.00 H new ATOM 0 HA GLU A 140 2.196 5.151 -5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 140 0.442 6.858 -5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -0.819 5.642 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -0.172 4.700 -3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 140 1.350 5.568 -3.131 1.00 0.00 H new ATOM 1283 N PHE A 141 -0.031 2.756 -5.723 1.00 0.00 N ATOM 1284 CA PHE A 141 -0.338 1.391 -5.314 1.00 0.00 C ATOM 1285 C PHE A 141 0.858 0.476 -5.557 1.00 0.00 C ATOM 1286 O PHE A 141 1.283 -0.257 -4.665 1.00 0.00 O ATOM 1287 CB PHE A 141 -1.548 0.876 -6.099 1.00 0.00 C ATOM 1288 CG PHE A 141 -1.810 -0.566 -5.736 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -2.579 -0.877 -4.609 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -1.281 -1.593 -6.527 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -2.819 -2.215 -4.272 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -1.520 -2.930 -6.191 1.00 0.00 C ATOM 1293 CZ PHE A 141 -2.290 -3.242 -5.064 1.00 0.00 C ATOM 0 H PHE A 141 -0.610 3.116 -6.481 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.567 1.391 -4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.425 1.483 -5.875 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.364 0.965 -7.170 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.988 -0.085 -3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.688 -1.353 -7.397 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -3.412 -2.455 -3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -1.110 -3.722 -6.801 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.476 -4.274 -4.806 1.00 0.00 H new ATOM 1303 N VAL A 142 1.389 0.516 -6.776 1.00 0.00 N ATOM 1304 CA VAL A 142 2.525 -0.327 -7.126 1.00 0.00 C ATOM 1305 C VAL A 142 3.706 -0.024 -6.209 1.00 0.00 C ATOM 1306 O VAL A 142 4.340 -0.937 -5.684 1.00 0.00 O ATOM 1307 CB VAL A 142 2.933 -0.069 -8.580 1.00 0.00 C ATOM 1308 CG1 VAL A 142 4.201 -0.862 -8.905 1.00 0.00 C ATOM 1309 CG2 VAL A 142 1.803 -0.509 -9.513 1.00 0.00 C ATOM 0 H VAL A 142 1.055 1.117 -7.530 1.00 0.00 H new ATOM 0 HA VAL A 142 2.237 -1.371 -7.007 1.00 0.00 H new ATOM 0 HB VAL A 142 3.126 0.995 -8.719 1.00 0.00 H new ATOM 0 HG11 VAL A 142 4.490 -0.678 -9.940 1.00 0.00 H new ATOM 0 HG12 VAL A 142 5.007 -0.548 -8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 142 4.010 -1.926 -8.766 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.093 -0.325 -10.548 1.00 0.00 H new ATOM 0 HG22 VAL A 142 1.609 -1.573 -9.374 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.900 0.057 -9.283 1.00 0.00 H new ATOM 1319 N GLN A 143 3.988 1.259 -6.012 1.00 0.00 N ATOM 1320 CA GLN A 143 5.090 1.662 -5.148 1.00 0.00 C ATOM 1321 C GLN A 143 4.809 1.262 -3.700 1.00 0.00 C ATOM 1322 O GLN A 143 5.675 0.718 -3.016 1.00 0.00 O ATOM 1323 CB GLN A 143 5.288 3.176 -5.229 1.00 0.00 C ATOM 1324 CG GLN A 143 6.580 3.566 -4.508 1.00 0.00 C ATOM 1325 CD GLN A 143 7.785 3.063 -5.295 1.00 0.00 C ATOM 1326 OE1 GLN A 143 7.977 3.446 -6.449 1.00 0.00 O ATOM 1327 NE2 GLN A 143 8.613 2.222 -4.739 1.00 0.00 N ATOM 0 H GLN A 143 3.474 2.032 -6.435 1.00 0.00 H new ATOM 0 HA GLN A 143 5.995 1.157 -5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.332 3.491 -6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.439 3.688 -4.777 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.633 4.649 -4.398 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.588 3.143 -3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 143 8.453 1.905 -3.783 1.00 0.00 H new ATOM 0 HE22 GLN A 143 9.421 1.881 -5.261 1.00 0.00 H new ATOM 1336 N MET A 144 3.594 1.538 -3.242 1.00 0.00 N ATOM 1337 CA MET A 144 3.208 1.210 -1.875 1.00 0.00 C ATOM 1338 C MET A 144 3.342 -0.285 -1.632 1.00 0.00 C ATOM 1339 O MET A 144 3.641 -0.717 -0.522 1.00 0.00 O ATOM 1340 CB MET A 144 1.764 1.643 -1.616 1.00 0.00 C ATOM 1341 CG MET A 144 1.415 1.409 -0.143 1.00 0.00 C ATOM 1342 SD MET A 144 -0.283 1.953 0.168 1.00 0.00 S ATOM 1343 CE MET A 144 -1.105 0.414 -0.314 1.00 0.00 C ATOM 0 H MET A 144 2.862 1.986 -3.794 1.00 0.00 H new ATOM 0 HA MET A 144 3.871 1.743 -1.193 1.00 0.00 H new ATOM 0 HB2 MET A 144 1.639 2.696 -1.867 1.00 0.00 H new ATOM 0 HB3 MET A 144 1.084 1.080 -2.255 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.521 0.353 0.104 1.00 0.00 H new ATOM 0 HG3 MET A 144 2.107 1.956 0.497 1.00 0.00 H new ATOM 0 HE1 MET A 144 -2.182 0.520 -0.182 1.00 0.00 H new ATOM 0 HE2 MET A 144 -0.887 0.197 -1.360 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.741 -0.403 0.309 1.00 0.00 H new ATOM 1353 N MET A 145 3.112 -1.075 -2.678 1.00 0.00 N ATOM 1354 CA MET A 145 3.208 -2.529 -2.561 1.00 0.00 C ATOM 1355 C MET A 145 4.602 -3.005 -2.934 1.00 0.00 C ATOM 1356 O MET A 145 4.952 -4.162 -2.699 1.00 0.00 O ATOM 1357 CB MET A 145 2.184 -3.186 -3.486 1.00 0.00 C ATOM 1358 CG MET A 145 0.773 -2.843 -3.008 1.00 0.00 C ATOM 1359 SD MET A 145 0.464 -3.622 -1.399 1.00 0.00 S ATOM 1360 CE MET A 145 -1.118 -4.392 -1.808 1.00 0.00 C ATOM 0 H MET A 145 2.860 -0.738 -3.607 1.00 0.00 H new ATOM 0 HA MET A 145 3.006 -2.808 -1.527 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.327 -2.839 -4.509 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.325 -4.267 -3.493 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.659 -1.762 -2.927 1.00 0.00 H new ATOM 0 HG3 MET A 145 0.039 -3.187 -3.736 1.00 0.00 H new ATOM 0 HE1 MET A 145 -1.408 -5.075 -1.009 1.00 0.00 H new ATOM 0 HE2 MET A 145 -1.880 -3.621 -1.920 1.00 0.00 H new ATOM 0 HE3 MET A 145 -1.022 -4.946 -2.742 1.00 0.00 H new ATOM 1370 N THR A 146 5.400 -2.111 -3.513 1.00 0.00 N ATOM 1371 CA THR A 146 6.766 -2.452 -3.913 1.00 0.00 C ATOM 1372 C THR A 146 7.779 -1.702 -3.057 1.00 0.00 C ATOM 1373 O THR A 146 8.980 -1.748 -3.313 1.00 0.00 O ATOM 1374 CB THR A 146 6.980 -2.103 -5.388 1.00 0.00 C ATOM 1375 OG1 THR A 146 6.041 -2.815 -6.183 1.00 0.00 O ATOM 1376 CG2 THR A 146 8.408 -2.489 -5.811 1.00 0.00 C ATOM 0 H THR A 146 5.128 -1.149 -3.716 1.00 0.00 H new ATOM 0 HA THR A 146 6.910 -3.523 -3.769 1.00 0.00 H new ATOM 0 HB THR A 146 6.840 -1.031 -5.530 1.00 0.00 H new ATOM 0 HG1 THR A 146 5.203 -2.309 -6.231 1.00 0.00 H new ATOM 0 HG21 THR A 146 8.556 -2.239 -6.862 1.00 0.00 H new ATOM 0 HG22 THR A 146 9.128 -1.942 -5.203 1.00 0.00 H new ATOM 0 HG23 THR A 146 8.553 -3.560 -5.669 1.00 0.00 H new ATOM 1384 N ALA A 147 7.286 -1.016 -2.034 1.00 0.00 N ATOM 1385 CA ALA A 147 8.160 -0.259 -1.144 1.00 0.00 C ATOM 1386 C ALA A 147 9.158 -1.187 -0.466 1.00 0.00 C ATOM 1387 O ALA A 147 8.818 -2.306 -0.090 1.00 0.00 O ATOM 1388 CB ALA A 147 7.330 0.460 -0.082 1.00 0.00 C ATOM 0 H ALA A 147 6.294 -0.967 -1.800 1.00 0.00 H new ATOM 0 HA ALA A 147 8.704 0.476 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 147 7.991 1.022 0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 147 6.633 1.144 -0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 147 6.773 -0.273 0.502 1.00 0.00 H new ATOM 1394 N LYS A 148 10.395 -0.716 -0.314 1.00 0.00 N ATOM 1395 CA LYS A 148 11.444 -1.515 0.321 1.00 0.00 C ATOM 1396 C LYS A 148 11.769 -0.963 1.704 1.00 0.00 C ATOM 1397 O LYS A 148 11.209 0.061 2.059 1.00 0.00 O ATOM 1398 CB LYS A 148 12.704 -1.498 -0.546 1.00 0.00 C ATOM 1399 CG LYS A 148 12.405 -2.159 -1.894 1.00 0.00 C ATOM 1400 CD LYS A 148 13.666 -2.144 -2.760 1.00 0.00 C ATOM 1401 CE LYS A 148 13.341 -2.714 -4.143 1.00 0.00 C ATOM 1402 NZ LYS A 148 12.762 -4.079 -3.993 1.00 0.00 N ATOM 1403 OXT LYS A 148 12.570 -1.576 2.389 1.00 0.00 O ATOM 0 H LYS A 148 10.695 0.210 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 148 11.087 -2.540 0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 148 13.040 -0.472 -0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 148 13.513 -2.026 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 148 12.068 -3.184 -1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 148 11.597 -1.630 -2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 148 14.044 -1.126 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 148 14.452 -2.733 -2.287 1.00 0.00 H new ATOM 0 HE2 LYS A 148 12.636 -2.063 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 148 14.244 -2.755 -4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 12.838 -4.590 -4.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 13.282 -4.598 -3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 11.761 -4.004 -3.722 1.00 0.00 H new TER 1417 LYS A 148 HETATM 1418 CA CA A 149 -11.482 0.396 -7.375 1.00 0.00 CA HETATM 1419 CA CA A 150 -2.261 8.817 -2.877 1.00 0.00 CA