USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=22 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 94 LYS NZ :NH3+ -117:sc= 0.23 (180deg=-0.427) USER MOD Set 1.2: A 107 HIS : no HD1:sc= -2.31! C(o=-2.1!,f=-5.9!) USER MOD Set 2.1: A 57 SER OG : rot 43:sc= 0.827 USER MOD Set 2.2: A 58 HIS : no HD1:sc= 0.488 K(o=1.3,f=-8.3!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HE2:sc= -2.24! C(o=-2.2!,f=-3.9!) USER MOD Single : A 61 HIS : no HD1:sc= -0.929 K(o=-0.93,f=-2!) USER MOD Single : A 62 HIS : no HE2:sc= -8.24! C(o=-8.2!,f=-10!) USER MOD Single : A 63 HIS : no HE2:sc= -0.57 K(o=-0.57,f=-2.6!) USER MOD Single : A 65 SER OG : rot -57:sc= 0.748 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -2.44 X(o=-2.4,f=-2.1!) USER MOD Single : A 74 SER OG : rot 73:sc= 0.992 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 -150:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.417! USER MOD Single : A 109 MET CE :methyl 178:sc= -0.0406 (180deg=-0.0644) USER MOD Single : A 110 THR OG1 : rot 84:sc= 0.472 USER MOD Single : A 111 ASN : amide:sc= -0.623 K(o=-0.62,f=-2.4!) USER MOD Single : A 115 LYS NZ :NH3+ -125:sc= -0.642 (180deg=-2.16!) USER MOD Single : A 117 THR OG1 : rot -161:sc= -1.57 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 137 ASN : amide:sc= -0.027 K(o=-0.027,f=-1.5!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -134:sc= -0.254 (180deg=-1.38!) USER MOD Single : A 146 THR OG1 : rot -82:sc= 0.396 USER MOD Single : A 148 LYS NZ :NH3+ 147:sc= -0.266 (180deg=-1.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 30.059 8.695 11.132 1.00 0.00 N ATOM 2 CA GLY A 56 29.872 9.449 12.405 1.00 0.00 C ATOM 3 C GLY A 56 30.561 10.805 12.301 1.00 0.00 C ATOM 4 O GLY A 56 31.691 10.976 12.759 1.00 0.00 O ATOM 0 HA2 GLY A 56 28.809 9.584 12.607 1.00 0.00 H new ATOM 0 HA3 GLY A 56 30.286 8.882 13.239 1.00 0.00 H new ATOM 8 N SER A 57 29.874 11.767 11.693 1.00 0.00 N ATOM 9 CA SER A 57 30.430 13.105 11.532 1.00 0.00 C ATOM 10 C SER A 57 30.514 13.815 12.878 1.00 0.00 C ATOM 11 O SER A 57 31.223 14.811 13.024 1.00 0.00 O ATOM 12 CB SER A 57 29.560 13.922 10.578 1.00 0.00 C ATOM 13 OG SER A 57 28.239 14.002 11.098 1.00 0.00 O ATOM 0 H SER A 57 28.938 11.646 11.306 1.00 0.00 H new ATOM 0 HA SER A 57 31.434 13.012 11.118 1.00 0.00 H new ATOM 0 HB2 SER A 57 29.976 14.922 10.455 1.00 0.00 H new ATOM 0 HB3 SER A 57 29.547 13.458 9.592 1.00 0.00 H new ATOM 0 HG SER A 57 28.277 14.181 12.061 1.00 0.00 H new ATOM 19 N HIS A 58 29.784 13.298 13.862 1.00 0.00 N ATOM 20 CA HIS A 58 29.784 13.893 15.194 1.00 0.00 C ATOM 21 C HIS A 58 29.467 12.841 16.245 1.00 0.00 C ATOM 22 O HIS A 58 28.852 11.816 15.950 1.00 0.00 O ATOM 23 CB HIS A 58 28.747 15.014 15.266 1.00 0.00 C ATOM 24 CG HIS A 58 27.396 14.475 14.881 1.00 0.00 C ATOM 25 ND1 HIS A 58 27.074 14.152 13.572 1.00 0.00 N ATOM 26 CD2 HIS A 58 26.275 14.195 15.622 1.00 0.00 C ATOM 27 CE1 HIS A 58 25.806 13.702 13.565 1.00 0.00 C ATOM 28 NE2 HIS A 58 25.272 13.708 14.789 1.00 0.00 N ATOM 0 H HIS A 58 29.189 12.475 13.764 1.00 0.00 H new ATOM 0 HA HIS A 58 30.775 14.303 15.389 1.00 0.00 H new ATOM 0 HB2 HIS A 58 28.712 15.427 16.274 1.00 0.00 H new ATOM 0 HB3 HIS A 58 29.029 15.828 14.598 1.00 0.00 H new ATOM 0 HD2 HIS A 58 26.185 14.332 16.690 1.00 0.00 H new ATOM 0 HE1 HIS A 58 25.284 13.376 12.678 1.00 0.00 H new ATOM 0 HE2 HIS A 58 24.331 13.418 15.056 1.00 0.00 H new ATOM 36 N HIS A 59 29.892 13.096 17.481 1.00 0.00 N ATOM 37 CA HIS A 59 29.648 12.159 18.578 1.00 0.00 C ATOM 38 C HIS A 59 28.619 12.731 19.549 1.00 0.00 C ATOM 39 O HIS A 59 27.848 13.623 19.196 1.00 0.00 O ATOM 40 CB HIS A 59 30.955 11.879 19.323 1.00 0.00 C ATOM 41 CG HIS A 59 31.967 11.313 18.365 1.00 0.00 C ATOM 42 ND1 HIS A 59 31.907 10.004 17.914 1.00 0.00 N ATOM 43 CD2 HIS A 59 33.070 11.867 17.764 1.00 0.00 C ATOM 44 CE1 HIS A 59 32.946 9.815 17.080 1.00 0.00 C ATOM 45 NE2 HIS A 59 33.687 10.919 16.953 1.00 0.00 N ATOM 0 H HIS A 59 30.404 13.937 17.748 1.00 0.00 H new ATOM 0 HA HIS A 59 29.261 11.229 18.161 1.00 0.00 H new ATOM 0 HB2 HIS A 59 31.335 12.798 19.770 1.00 0.00 H new ATOM 0 HB3 HIS A 59 30.778 11.178 20.138 1.00 0.00 H new ATOM 0 HD2 HIS A 59 33.408 12.884 17.900 1.00 0.00 H new ATOM 0 HE1 HIS A 59 33.155 8.884 16.575 1.00 0.00 H new ATOM 0 HE2 HIS A 59 34.525 11.041 16.384 1.00 0.00 H new ATOM 53 N HIS A 60 28.614 12.209 20.770 1.00 0.00 N ATOM 54 CA HIS A 60 27.676 12.672 21.785 1.00 0.00 C ATOM 55 C HIS A 60 26.246 12.601 21.266 1.00 0.00 C ATOM 56 O HIS A 60 25.426 13.475 21.549 1.00 0.00 O ATOM 57 CB HIS A 60 28.005 14.115 22.178 1.00 0.00 C ATOM 58 CG HIS A 60 27.183 14.510 23.373 1.00 0.00 C ATOM 59 ND1 HIS A 60 25.963 15.156 23.252 1.00 0.00 N ATOM 60 CD2 HIS A 60 27.392 14.356 24.721 1.00 0.00 C ATOM 61 CE1 HIS A 60 25.490 15.366 24.493 1.00 0.00 C ATOM 62 NE2 HIS A 60 26.322 14.897 25.427 1.00 0.00 N ATOM 0 H HIS A 60 29.245 11.470 21.080 1.00 0.00 H new ATOM 0 HA HIS A 60 27.766 12.026 22.658 1.00 0.00 H new ATOM 0 HB2 HIS A 60 29.067 14.208 22.407 1.00 0.00 H new ATOM 0 HB3 HIS A 60 27.799 14.786 21.344 1.00 0.00 H new ATOM 0 HD1 HIS A 60 25.507 15.424 22.380 1.00 0.00 H new ATOM 0 HD2 HIS A 60 28.256 13.886 25.166 1.00 0.00 H new ATOM 0 HE1 HIS A 60 24.551 15.855 24.709 1.00 0.00 H new ATOM 70 N HIS A 61 25.949 11.553 20.501 1.00 0.00 N ATOM 71 CA HIS A 61 24.610 11.379 19.946 1.00 0.00 C ATOM 72 C HIS A 61 24.328 9.904 19.697 1.00 0.00 C ATOM 73 O HIS A 61 23.464 9.309 20.345 1.00 0.00 O ATOM 74 CB HIS A 61 24.484 12.155 18.636 1.00 0.00 C ATOM 75 CG HIS A 61 23.068 12.075 18.141 1.00 0.00 C ATOM 76 ND1 HIS A 61 22.022 12.714 18.787 1.00 0.00 N ATOM 77 CD2 HIS A 61 22.507 11.434 17.063 1.00 0.00 C ATOM 78 CE1 HIS A 61 20.896 12.449 18.099 1.00 0.00 C ATOM 79 NE2 HIS A 61 21.136 11.672 17.039 1.00 0.00 N ATOM 0 H HIS A 61 26.611 10.818 20.253 1.00 0.00 H new ATOM 0 HA HIS A 61 23.883 11.761 20.663 1.00 0.00 H new ATOM 0 HB2 HIS A 61 24.769 13.196 18.789 1.00 0.00 H new ATOM 0 HB3 HIS A 61 25.165 11.744 17.891 1.00 0.00 H new ATOM 0 HD2 HIS A 61 23.048 10.836 16.344 1.00 0.00 H new ATOM 0 HE1 HIS A 61 19.918 12.819 18.370 1.00 0.00 H new ATOM 0 HE2 HIS A 61 20.459 11.327 16.358 1.00 0.00 H new ATOM 87 N HIS A 62 25.060 9.314 18.755 1.00 0.00 N ATOM 88 CA HIS A 62 24.880 7.902 18.431 1.00 0.00 C ATOM 89 C HIS A 62 23.401 7.525 18.440 1.00 0.00 C ATOM 90 O HIS A 62 22.848 7.181 19.485 1.00 0.00 O ATOM 91 CB HIS A 62 25.636 7.037 19.445 1.00 0.00 C ATOM 92 CG HIS A 62 25.125 7.322 20.831 1.00 0.00 C ATOM 93 ND1 HIS A 62 25.534 8.431 21.555 1.00 0.00 N ATOM 94 CD2 HIS A 62 24.237 6.655 21.637 1.00 0.00 C ATOM 95 CE1 HIS A 62 24.898 8.399 22.740 1.00 0.00 C ATOM 96 NE2 HIS A 62 24.095 7.337 22.842 1.00 0.00 N ATOM 0 H HIS A 62 25.778 9.788 18.207 1.00 0.00 H new ATOM 0 HA HIS A 62 25.276 7.727 17.431 1.00 0.00 H new ATOM 0 HB2 HIS A 62 25.504 5.981 19.208 1.00 0.00 H new ATOM 0 HB3 HIS A 62 26.705 7.245 19.390 1.00 0.00 H new ATOM 0 HD1 HIS A 62 26.197 9.142 21.246 1.00 0.00 H new ATOM 0 HD2 HIS A 62 23.726 5.740 21.376 1.00 0.00 H new ATOM 0 HE1 HIS A 62 25.022 9.142 23.514 1.00 0.00 H new ATOM 104 N HIS A 63 22.771 7.599 17.276 1.00 0.00 N ATOM 105 CA HIS A 63 21.357 7.266 17.165 1.00 0.00 C ATOM 106 C HIS A 63 20.987 6.993 15.711 1.00 0.00 C ATOM 107 O HIS A 63 20.475 7.870 15.015 1.00 0.00 O ATOM 108 CB HIS A 63 20.502 8.412 17.705 1.00 0.00 C ATOM 109 CG HIS A 63 19.048 8.032 17.629 1.00 0.00 C ATOM 110 ND1 HIS A 63 18.292 8.231 16.485 1.00 0.00 N ATOM 111 CD2 HIS A 63 18.199 7.464 18.547 1.00 0.00 C ATOM 112 CE1 HIS A 63 17.046 7.790 16.741 1.00 0.00 C ATOM 113 NE2 HIS A 63 16.936 7.313 17.983 1.00 0.00 N ATOM 0 H HIS A 63 23.212 7.884 16.401 1.00 0.00 H new ATOM 0 HA HIS A 63 21.168 6.368 17.753 1.00 0.00 H new ATOM 0 HB2 HIS A 63 20.778 8.631 18.736 1.00 0.00 H new ATOM 0 HB3 HIS A 63 20.683 9.318 17.127 1.00 0.00 H new ATOM 0 HD1 HIS A 63 18.620 8.637 15.609 1.00 0.00 H new ATOM 0 HD2 HIS A 63 18.470 7.178 19.553 1.00 0.00 H new ATOM 0 HE1 HIS A 63 16.235 7.819 16.029 1.00 0.00 H new ATOM 121 N GLY A 64 21.250 5.771 15.257 1.00 0.00 N ATOM 122 CA GLY A 64 20.941 5.394 13.881 1.00 0.00 C ATOM 123 C GLY A 64 19.485 4.967 13.747 1.00 0.00 C ATOM 124 O GLY A 64 18.738 4.972 14.724 1.00 0.00 O ATOM 0 H GLY A 64 21.673 5.030 15.816 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.140 6.235 13.216 1.00 0.00 H new ATOM 0 HA3 GLY A 64 21.593 4.579 13.568 1.00 0.00 H new ATOM 128 N SER A 65 19.090 4.602 12.532 1.00 0.00 N ATOM 129 CA SER A 65 17.717 4.175 12.281 1.00 0.00 C ATOM 130 C SER A 65 16.760 5.357 12.385 1.00 0.00 C ATOM 131 O SER A 65 15.565 5.183 12.623 1.00 0.00 O ATOM 132 CB SER A 65 17.313 3.098 13.290 1.00 0.00 C ATOM 133 OG SER A 65 16.786 3.719 14.456 1.00 0.00 O ATOM 0 H SER A 65 19.695 4.593 11.711 1.00 0.00 H new ATOM 0 HA SER A 65 17.662 3.767 11.272 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.569 2.433 12.851 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.176 2.485 13.549 1.00 0.00 H new ATOM 0 HG SER A 65 17.450 4.338 14.826 1.00 0.00 H new ATOM 139 N SER A 66 17.294 6.562 12.206 1.00 0.00 N ATOM 140 CA SER A 66 16.476 7.767 12.279 1.00 0.00 C ATOM 141 C SER A 66 15.410 7.761 11.189 1.00 0.00 C ATOM 142 O SER A 66 14.248 8.078 11.441 1.00 0.00 O ATOM 143 CB SER A 66 17.358 9.006 12.124 1.00 0.00 C ATOM 144 OG SER A 66 16.547 10.171 12.199 1.00 0.00 O ATOM 0 H SER A 66 18.281 6.729 12.011 1.00 0.00 H new ATOM 0 HA SER A 66 15.984 7.789 13.251 1.00 0.00 H new ATOM 0 HB2 SER A 66 18.117 9.026 12.906 1.00 0.00 H new ATOM 0 HB3 SER A 66 17.884 8.975 11.170 1.00 0.00 H new ATOM 0 HG SER A 66 17.109 10.968 12.102 1.00 0.00 H new ATOM 150 N GLY A 67 15.813 7.396 9.976 1.00 0.00 N ATOM 151 CA GLY A 67 14.882 7.350 8.856 1.00 0.00 C ATOM 152 C GLY A 67 15.466 6.553 7.701 1.00 0.00 C ATOM 153 O GLY A 67 16.685 6.452 7.550 1.00 0.00 O ATOM 0 H GLY A 67 16.770 7.130 9.745 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.943 6.899 9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.653 8.363 8.526 1.00 0.00 H new ATOM 157 N GLU A 68 14.591 5.983 6.875 1.00 0.00 N ATOM 158 CA GLU A 68 15.030 5.192 5.726 1.00 0.00 C ATOM 159 C GLU A 68 14.127 5.448 4.525 1.00 0.00 C ATOM 160 O GLU A 68 12.920 5.237 4.589 1.00 0.00 O ATOM 161 CB GLU A 68 15.011 3.704 6.079 1.00 0.00 C ATOM 162 CG GLU A 68 16.119 3.402 7.091 1.00 0.00 C ATOM 163 CD GLU A 68 16.074 1.932 7.490 1.00 0.00 C ATOM 164 OE1 GLU A 68 15.217 1.226 6.983 1.00 0.00 O ATOM 165 OE2 GLU A 68 16.898 1.532 8.296 1.00 0.00 O ATOM 0 H GLU A 68 13.579 6.053 6.978 1.00 0.00 H new ATOM 0 HA GLU A 68 16.047 5.489 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.041 3.431 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.153 3.105 5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.091 3.641 6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.998 4.031 7.973 1.00 0.00 H new ATOM 172 N ASN A 69 14.725 5.900 3.430 1.00 0.00 N ATOM 173 CA ASN A 69 13.970 6.180 2.215 1.00 0.00 C ATOM 174 C ASN A 69 13.372 4.899 1.647 1.00 0.00 C ATOM 175 O ASN A 69 12.288 4.911 1.064 1.00 0.00 O ATOM 176 CB ASN A 69 14.875 6.837 1.171 1.00 0.00 C ATOM 177 CG ASN A 69 15.518 8.092 1.755 1.00 0.00 C ATOM 178 OD1 ASN A 69 14.837 8.843 2.577 1.00 0.00 O flip ATOM 179 ND2 ASN A 69 16.672 8.394 1.452 1.00 0.00 N flip ATOM 0 H ASN A 69 15.726 6.080 3.358 1.00 0.00 H new ATOM 0 HA ASN A 69 13.158 6.863 2.466 1.00 0.00 H new ATOM 0 HB2 ASN A 69 15.647 6.136 0.854 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.295 7.094 0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 69 17.201 7.805 0.809 1.00 0.00 H new ATOM 0 HD22 ASN A 69 17.099 9.233 1.844 1.00 0.00 H new ATOM 186 N LEU A 70 14.092 3.796 1.810 1.00 0.00 N ATOM 187 CA LEU A 70 13.629 2.511 1.300 1.00 0.00 C ATOM 188 C LEU A 70 12.400 2.041 2.072 1.00 0.00 C ATOM 189 O LEU A 70 11.735 1.085 1.673 1.00 0.00 O ATOM 190 CB LEU A 70 14.746 1.466 1.423 1.00 0.00 C ATOM 191 CG LEU A 70 15.734 1.631 0.265 1.00 0.00 C ATOM 192 CD1 LEU A 70 16.340 3.036 0.308 1.00 0.00 C ATOM 193 CD2 LEU A 70 16.845 0.590 0.392 1.00 0.00 C ATOM 0 H LEU A 70 14.993 3.765 2.288 1.00 0.00 H new ATOM 0 HA LEU A 70 13.360 2.632 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.264 1.583 2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.321 0.462 1.412 1.00 0.00 H new ATOM 0 HG LEU A 70 15.213 1.491 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.044 3.154 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.546 3.778 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.862 3.178 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.549 0.707 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.368 0.729 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 70 16.412 -0.410 0.361 1.00 0.00 H new ATOM 205 N TYR A 71 12.111 2.712 3.179 1.00 0.00 N ATOM 206 CA TYR A 71 10.964 2.348 4.002 1.00 0.00 C ATOM 207 C TYR A 71 9.677 2.423 3.183 1.00 0.00 C ATOM 208 O TYR A 71 8.862 1.502 3.209 1.00 0.00 O ATOM 209 CB TYR A 71 10.860 3.295 5.200 1.00 0.00 C ATOM 210 CG TYR A 71 9.630 2.955 6.006 1.00 0.00 C ATOM 211 CD1 TYR A 71 9.651 1.865 6.884 1.00 0.00 C ATOM 212 CD2 TYR A 71 8.470 3.728 5.878 1.00 0.00 C ATOM 213 CE1 TYR A 71 8.512 1.547 7.634 1.00 0.00 C ATOM 214 CE2 TYR A 71 7.331 3.410 6.627 1.00 0.00 C ATOM 215 CZ TYR A 71 7.352 2.320 7.504 1.00 0.00 C ATOM 216 OH TYR A 71 6.229 2.007 8.243 1.00 0.00 O ATOM 0 H TYR A 71 12.650 3.505 3.526 1.00 0.00 H new ATOM 0 HA TYR A 71 11.102 1.326 4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 71 11.751 3.210 5.823 1.00 0.00 H new ATOM 0 HB3 TYR A 71 10.809 4.328 4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.546 1.269 6.983 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.454 4.570 5.201 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.528 0.706 8.312 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.436 4.006 6.528 1.00 0.00 H new ATOM 0 HH TYR A 71 5.513 2.643 8.035 1.00 0.00 H new ATOM 226 N PHE A 72 9.505 3.521 2.456 1.00 0.00 N ATOM 227 CA PHE A 72 8.317 3.699 1.628 1.00 0.00 C ATOM 228 C PHE A 72 8.290 2.675 0.496 1.00 0.00 C ATOM 229 O PHE A 72 7.239 2.128 0.166 1.00 0.00 O ATOM 230 CB PHE A 72 8.294 5.112 1.042 1.00 0.00 C ATOM 231 CG PHE A 72 8.029 6.109 2.144 1.00 0.00 C ATOM 232 CD1 PHE A 72 6.715 6.370 2.551 1.00 0.00 C ATOM 233 CD2 PHE A 72 9.097 6.774 2.760 1.00 0.00 C ATOM 234 CE1 PHE A 72 6.468 7.294 3.572 1.00 0.00 C ATOM 235 CE2 PHE A 72 8.850 7.700 3.780 1.00 0.00 C ATOM 236 CZ PHE A 72 7.536 7.959 4.187 1.00 0.00 C ATOM 0 H PHE A 72 10.167 4.296 2.422 1.00 0.00 H new ATOM 0 HA PHE A 72 7.437 3.552 2.255 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.246 5.332 0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.522 5.187 0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.891 5.858 2.076 1.00 0.00 H new ATOM 0 HD2 PHE A 72 10.111 6.572 2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.454 7.494 3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.673 8.215 4.253 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.346 8.672 4.976 1.00 0.00 H new ATOM 246 N GLN A 73 9.453 2.427 -0.095 1.00 0.00 N ATOM 247 CA GLN A 73 9.553 1.472 -1.193 1.00 0.00 C ATOM 248 C GLN A 73 9.210 0.067 -0.713 1.00 0.00 C ATOM 249 O GLN A 73 8.722 -0.760 -1.484 1.00 0.00 O ATOM 250 CB GLN A 73 10.970 1.487 -1.771 1.00 0.00 C ATOM 251 CG GLN A 73 11.288 2.882 -2.315 1.00 0.00 C ATOM 252 CD GLN A 73 10.361 3.216 -3.480 1.00 0.00 C ATOM 253 OE1 GLN A 73 10.305 2.473 -4.459 1.00 0.00 O ATOM 254 NE2 GLN A 73 9.624 4.291 -3.427 1.00 0.00 N ATOM 0 H GLN A 73 10.334 2.870 0.165 1.00 0.00 H new ATOM 0 HA GLN A 73 8.843 1.761 -1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.691 1.213 -1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.057 0.747 -2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.173 3.624 -1.525 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.327 2.925 -2.643 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.674 4.904 -2.613 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.998 4.519 -4.199 1.00 0.00 H new ATOM 263 N SER A 74 9.475 -0.199 0.559 1.00 0.00 N ATOM 264 CA SER A 74 9.198 -1.512 1.129 1.00 0.00 C ATOM 265 C SER A 74 7.721 -1.859 0.980 1.00 0.00 C ATOM 266 O SER A 74 7.362 -3.014 0.792 1.00 0.00 O ATOM 267 CB SER A 74 9.579 -1.528 2.611 1.00 0.00 C ATOM 268 OG SER A 74 10.911 -1.054 2.759 1.00 0.00 O ATOM 0 H SER A 74 9.879 0.472 1.213 1.00 0.00 H new ATOM 0 HA SER A 74 9.791 -2.253 0.592 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.893 -0.902 3.181 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.494 -2.539 3.009 1.00 0.00 H new ATOM 0 HG SER A 74 10.932 -0.086 2.610 1.00 0.00 H new ATOM 274 N LEU A 75 6.870 -0.849 1.070 1.00 0.00 N ATOM 275 CA LEU A 75 5.434 -1.058 0.942 1.00 0.00 C ATOM 276 C LEU A 75 5.080 -1.537 -0.465 1.00 0.00 C ATOM 277 O LEU A 75 4.207 -2.384 -0.641 1.00 0.00 O ATOM 278 CB LEU A 75 4.683 0.244 1.248 1.00 0.00 C ATOM 279 CG LEU A 75 4.558 0.425 2.759 1.00 0.00 C ATOM 280 CD1 LEU A 75 5.953 0.498 3.383 1.00 0.00 C ATOM 281 CD2 LEU A 75 3.796 1.714 3.060 1.00 0.00 C ATOM 0 H LEU A 75 7.146 0.120 1.230 1.00 0.00 H new ATOM 0 HA LEU A 75 5.135 -1.824 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.213 1.091 0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.693 0.220 0.792 1.00 0.00 H new ATOM 0 HG LEU A 75 4.016 -0.422 3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.863 0.627 4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.495 -0.424 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.497 1.343 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.708 1.841 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.335 2.562 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.801 1.660 2.619 1.00 0.00 H new ATOM 293 N MET A 76 5.756 -0.974 -1.458 1.00 0.00 N ATOM 294 CA MET A 76 5.500 -1.336 -2.846 1.00 0.00 C ATOM 295 C MET A 76 6.118 -2.688 -3.176 1.00 0.00 C ATOM 296 O MET A 76 6.139 -3.105 -4.333 1.00 0.00 O ATOM 297 CB MET A 76 6.068 -0.267 -3.782 1.00 0.00 C ATOM 298 CG MET A 76 5.263 1.027 -3.633 1.00 0.00 C ATOM 299 SD MET A 76 5.905 2.272 -4.780 1.00 0.00 S ATOM 300 CE MET A 76 4.561 3.469 -4.589 1.00 0.00 C ATOM 0 H MET A 76 6.482 -0.269 -1.330 1.00 0.00 H new ATOM 0 HA MET A 76 4.421 -1.403 -2.987 1.00 0.00 H new ATOM 0 HB2 MET A 76 7.117 -0.084 -3.547 1.00 0.00 H new ATOM 0 HB3 MET A 76 6.028 -0.615 -4.814 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.209 0.838 -3.837 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.329 1.393 -2.608 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.754 4.336 -5.220 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.618 3.008 -4.884 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.500 3.785 -3.547 1.00 0.00 H new ATOM 310 N LYS A 77 6.622 -3.367 -2.151 1.00 0.00 N ATOM 311 CA LYS A 77 7.244 -4.671 -2.345 1.00 0.00 C ATOM 312 C LYS A 77 6.367 -5.560 -3.219 1.00 0.00 C ATOM 313 O LYS A 77 5.145 -5.575 -3.077 1.00 0.00 O ATOM 314 CB LYS A 77 7.471 -5.346 -0.990 1.00 0.00 C ATOM 315 CG LYS A 77 6.141 -5.432 -0.235 1.00 0.00 C ATOM 316 CD LYS A 77 6.376 -6.054 1.143 1.00 0.00 C ATOM 317 CE LYS A 77 5.050 -6.132 1.900 1.00 0.00 C ATOM 318 NZ LYS A 77 5.275 -6.765 3.231 1.00 0.00 N ATOM 0 H LYS A 77 6.612 -3.039 -1.185 1.00 0.00 H new ATOM 0 HA LYS A 77 8.202 -4.526 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.886 -6.344 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.197 -4.780 -0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.706 -4.438 -0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.428 -6.032 -0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.805 -7.050 1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.094 -5.457 1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.632 -5.133 2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.325 -6.711 1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.374 -6.819 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.656 -7.724 3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.953 -6.195 3.776 1.00 0.00 H new ATOM 332 N ASP A 78 7.001 -6.294 -4.127 1.00 0.00 N ATOM 333 CA ASP A 78 6.268 -7.180 -5.024 1.00 0.00 C ATOM 334 C ASP A 78 5.876 -8.461 -4.303 1.00 0.00 C ATOM 335 O ASP A 78 6.391 -8.766 -3.226 1.00 0.00 O ATOM 336 CB ASP A 78 7.127 -7.521 -6.243 1.00 0.00 C ATOM 337 CG ASP A 78 8.389 -8.255 -5.802 1.00 0.00 C ATOM 338 OD1 ASP A 78 8.461 -8.627 -4.642 1.00 0.00 O ATOM 339 OD2 ASP A 78 9.268 -8.429 -6.629 1.00 0.00 O ATOM 0 H ASP A 78 8.012 -6.294 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 78 5.364 -6.667 -5.352 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.559 -8.141 -6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.394 -6.609 -6.777 1.00 0.00 H new ATOM 344 N THR A 79 4.956 -9.216 -4.898 1.00 0.00 N ATOM 345 CA THR A 79 4.494 -10.466 -4.300 1.00 0.00 C ATOM 346 C THR A 79 5.277 -11.649 -4.858 1.00 0.00 C ATOM 347 O THR A 79 5.741 -11.617 -5.997 1.00 0.00 O ATOM 348 CB THR A 79 3.005 -10.658 -4.580 1.00 0.00 C ATOM 349 OG1 THR A 79 2.318 -9.434 -4.359 1.00 0.00 O ATOM 350 CG2 THR A 79 2.441 -11.734 -3.649 1.00 0.00 C ATOM 0 H THR A 79 4.517 -8.986 -5.790 1.00 0.00 H new ATOM 0 HA THR A 79 4.657 -10.414 -3.223 1.00 0.00 H new ATOM 0 HB THR A 79 2.870 -10.969 -5.616 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.401 -9.621 -4.068 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.378 -11.869 -3.851 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.965 -12.674 -3.820 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.577 -11.426 -2.612 1.00 0.00 H new ATOM 358 N ASP A 80 5.418 -12.690 -4.048 1.00 0.00 N ATOM 359 CA ASP A 80 6.146 -13.881 -4.470 1.00 0.00 C ATOM 360 C ASP A 80 5.449 -14.540 -5.649 1.00 0.00 C ATOM 361 O ASP A 80 6.098 -14.996 -6.594 1.00 0.00 O ATOM 362 CB ASP A 80 6.238 -14.879 -3.314 1.00 0.00 C ATOM 363 CG ASP A 80 6.997 -16.125 -3.758 1.00 0.00 C ATOM 364 OD1 ASP A 80 7.388 -16.176 -4.912 1.00 0.00 O ATOM 365 OD2 ASP A 80 7.186 -17.004 -2.933 1.00 0.00 O ATOM 0 H ASP A 80 5.041 -12.735 -3.101 1.00 0.00 H new ATOM 0 HA ASP A 80 7.149 -13.580 -4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.744 -14.419 -2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.238 -15.153 -2.979 1.00 0.00 H new ATOM 370 N SER A 81 4.118 -14.592 -5.597 1.00 0.00 N ATOM 371 CA SER A 81 3.338 -15.201 -6.675 1.00 0.00 C ATOM 372 C SER A 81 2.437 -14.162 -7.333 1.00 0.00 C ATOM 373 O SER A 81 1.469 -13.696 -6.734 1.00 0.00 O ATOM 374 CB SER A 81 2.485 -16.341 -6.117 1.00 0.00 C ATOM 375 OG SER A 81 3.327 -17.275 -5.452 1.00 0.00 O ATOM 0 H SER A 81 3.561 -14.223 -4.827 1.00 0.00 H new ATOM 0 HA SER A 81 4.026 -15.594 -7.423 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.740 -15.948 -5.425 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.942 -16.833 -6.924 1.00 0.00 H new ATOM 0 HG SER A 81 2.784 -18.006 -5.091 1.00 0.00 H new ATOM 381 N GLU A 82 2.760 -13.807 -8.571 1.00 0.00 N ATOM 382 CA GLU A 82 1.973 -12.822 -9.303 1.00 0.00 C ATOM 383 C GLU A 82 0.523 -13.274 -9.421 1.00 0.00 C ATOM 384 O GLU A 82 -0.394 -12.454 -9.434 1.00 0.00 O ATOM 385 CB GLU A 82 2.563 -12.618 -10.702 1.00 0.00 C ATOM 386 CG GLU A 82 2.577 -13.951 -11.450 1.00 0.00 C ATOM 387 CD GLU A 82 3.198 -13.770 -12.830 1.00 0.00 C ATOM 388 OE1 GLU A 82 2.770 -12.873 -13.537 1.00 0.00 O ATOM 389 OE2 GLU A 82 4.097 -14.527 -13.158 1.00 0.00 O ATOM 0 H GLU A 82 3.556 -14.183 -9.086 1.00 0.00 H new ATOM 0 HA GLU A 82 2.003 -11.880 -8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.973 -11.886 -11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.575 -12.221 -10.627 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.143 -14.690 -10.882 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.561 -14.333 -11.547 1.00 0.00 H new ATOM 396 N GLU A 83 0.323 -14.583 -9.511 1.00 0.00 N ATOM 397 CA GLU A 83 -1.021 -15.133 -9.635 1.00 0.00 C ATOM 398 C GLU A 83 -1.885 -14.710 -8.452 1.00 0.00 C ATOM 399 O GLU A 83 -3.084 -14.475 -8.600 1.00 0.00 O ATOM 400 CB GLU A 83 -0.956 -16.661 -9.701 1.00 0.00 C ATOM 401 CG GLU A 83 -2.353 -17.222 -9.980 1.00 0.00 C ATOM 402 CD GLU A 83 -2.285 -18.738 -10.137 1.00 0.00 C ATOM 403 OE1 GLU A 83 -1.248 -19.300 -9.826 1.00 0.00 O ATOM 404 OE2 GLU A 83 -3.271 -19.314 -10.564 1.00 0.00 O ATOM 0 H GLU A 83 1.068 -15.279 -9.501 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.467 -14.748 -10.552 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.265 -16.972 -10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.574 -17.060 -8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.028 -16.963 -9.164 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.760 -16.772 -10.886 1.00 0.00 H new ATOM 411 N GLU A 84 -1.270 -14.616 -7.280 1.00 0.00 N ATOM 412 CA GLU A 84 -1.993 -14.221 -6.079 1.00 0.00 C ATOM 413 C GLU A 84 -2.482 -12.781 -6.198 1.00 0.00 C ATOM 414 O GLU A 84 -3.531 -12.425 -5.658 1.00 0.00 O ATOM 415 CB GLU A 84 -1.085 -14.355 -4.853 1.00 0.00 C ATOM 416 CG GLU A 84 -1.895 -14.082 -3.583 1.00 0.00 C ATOM 417 CD GLU A 84 -0.999 -14.210 -2.356 1.00 0.00 C ATOM 418 OE1 GLU A 84 0.092 -14.739 -2.495 1.00 0.00 O ATOM 419 OE2 GLU A 84 -1.417 -13.779 -1.295 1.00 0.00 O ATOM 0 H GLU A 84 -0.278 -14.807 -7.136 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.855 -14.878 -5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.655 -15.356 -4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.254 -13.653 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.327 -13.082 -3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.725 -14.785 -3.513 1.00 0.00 H new ATOM 426 N ILE A 85 -1.714 -11.956 -6.895 1.00 0.00 N ATOM 427 CA ILE A 85 -2.077 -10.557 -7.065 1.00 0.00 C ATOM 428 C ILE A 85 -3.385 -10.430 -7.838 1.00 0.00 C ATOM 429 O ILE A 85 -4.260 -9.645 -7.469 1.00 0.00 O ATOM 430 CB ILE A 85 -0.969 -9.820 -7.825 1.00 0.00 C ATOM 431 CG1 ILE A 85 0.365 -10.017 -7.099 1.00 0.00 C ATOM 432 CG2 ILE A 85 -1.293 -8.325 -7.888 1.00 0.00 C ATOM 433 CD1 ILE A 85 1.499 -9.409 -7.932 1.00 0.00 C ATOM 0 H ILE A 85 -0.842 -12.228 -7.349 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.205 -10.114 -6.077 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.900 -10.220 -8.837 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.329 -9.546 -6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.549 -11.079 -6.937 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.503 -7.804 -8.429 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.242 -8.180 -8.403 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.364 -7.925 -6.876 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.447 -9.550 -7.414 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.540 -9.900 -8.904 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.317 -8.343 -8.072 1.00 0.00 H new ATOM 445 N ARG A 86 -3.512 -11.202 -8.915 1.00 0.00 N ATOM 446 CA ARG A 86 -4.716 -11.156 -9.733 1.00 0.00 C ATOM 447 C ARG A 86 -5.936 -11.593 -8.929 1.00 0.00 C ATOM 448 O ARG A 86 -6.975 -10.934 -8.956 1.00 0.00 O ATOM 449 CB ARG A 86 -4.551 -12.073 -10.947 1.00 0.00 C ATOM 450 CG ARG A 86 -3.499 -11.486 -11.893 1.00 0.00 C ATOM 451 CD ARG A 86 -3.290 -12.429 -13.079 1.00 0.00 C ATOM 452 NE ARG A 86 -4.473 -12.438 -13.933 1.00 0.00 N ATOM 453 CZ ARG A 86 -4.550 -13.234 -14.994 1.00 0.00 C ATOM 454 NH1 ARG A 86 -3.518 -13.949 -15.348 1.00 0.00 N ATOM 455 NH2 ARG A 86 -5.656 -13.297 -15.683 1.00 0.00 N ATOM 0 H ARG A 86 -2.802 -11.860 -9.237 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.867 -10.129 -10.064 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.250 -13.070 -10.625 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.503 -12.180 -11.467 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.820 -10.506 -12.247 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.559 -11.340 -11.361 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.420 -12.113 -13.655 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.085 -13.437 -12.719 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.255 -11.822 -13.711 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.653 -13.897 -14.810 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.576 -14.560 -16.162 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.461 -12.735 -15.407 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.715 -13.908 -16.498 1.00 0.00 H new ATOM 469 N GLU A 87 -5.796 -12.702 -8.208 1.00 0.00 N ATOM 470 CA GLU A 87 -6.890 -13.214 -7.389 1.00 0.00 C ATOM 471 C GLU A 87 -7.163 -12.276 -6.217 1.00 0.00 C ATOM 472 O GLU A 87 -8.315 -12.015 -5.870 1.00 0.00 O ATOM 473 CB GLU A 87 -6.547 -14.608 -6.870 1.00 0.00 C ATOM 474 CG GLU A 87 -6.517 -15.594 -8.038 1.00 0.00 C ATOM 475 CD GLU A 87 -6.068 -16.966 -7.548 1.00 0.00 C ATOM 476 OE1 GLU A 87 -5.751 -17.080 -6.376 1.00 0.00 O ATOM 477 OE2 GLU A 87 -6.039 -17.881 -8.354 1.00 0.00 O ATOM 0 H GLU A 87 -4.943 -13.260 -8.174 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.787 -13.273 -8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.580 -14.593 -6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.284 -14.924 -6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.506 -15.666 -8.490 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.838 -15.234 -8.811 1.00 0.00 H new ATOM 484 N ALA A 88 -6.092 -11.768 -5.608 1.00 0.00 N ATOM 485 CA ALA A 88 -6.229 -10.870 -4.468 1.00 0.00 C ATOM 486 C ALA A 88 -7.078 -9.664 -4.855 1.00 0.00 C ATOM 487 O ALA A 88 -7.910 -9.203 -4.071 1.00 0.00 O ATOM 488 CB ALA A 88 -4.847 -10.394 -4.015 1.00 0.00 C ATOM 0 H ALA A 88 -5.129 -11.962 -5.884 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.714 -11.406 -3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.955 -9.723 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.243 -11.254 -3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.358 -9.866 -4.833 1.00 0.00 H new ATOM 494 N PHE A 89 -6.872 -9.158 -6.067 1.00 0.00 N ATOM 495 CA PHE A 89 -7.632 -8.007 -6.543 1.00 0.00 C ATOM 496 C PHE A 89 -9.129 -8.307 -6.504 1.00 0.00 C ATOM 497 O PHE A 89 -9.925 -7.481 -6.056 1.00 0.00 O ATOM 498 CB PHE A 89 -7.219 -7.666 -7.976 1.00 0.00 C ATOM 499 CG PHE A 89 -7.923 -6.407 -8.419 1.00 0.00 C ATOM 500 CD1 PHE A 89 -7.400 -5.156 -8.073 1.00 0.00 C ATOM 501 CD2 PHE A 89 -9.099 -6.490 -9.174 1.00 0.00 C ATOM 502 CE1 PHE A 89 -8.053 -3.986 -8.482 1.00 0.00 C ATOM 503 CE2 PHE A 89 -9.751 -5.321 -9.584 1.00 0.00 C ATOM 504 CZ PHE A 89 -9.228 -4.069 -9.238 1.00 0.00 C ATOM 0 H PHE A 89 -6.191 -9.523 -6.733 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.421 -7.159 -5.892 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.139 -7.530 -8.031 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.471 -8.490 -8.644 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.493 -5.092 -7.491 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.503 -7.456 -9.440 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.650 -3.020 -8.214 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.658 -5.385 -10.167 1.00 0.00 H new ATOM 0 HZ PHE A 89 -9.731 -3.167 -9.554 1.00 0.00 H new ATOM 514 N ARG A 90 -9.505 -9.494 -6.973 1.00 0.00 N ATOM 515 CA ARG A 90 -10.910 -9.887 -6.979 1.00 0.00 C ATOM 516 C ARG A 90 -11.456 -9.957 -5.556 1.00 0.00 C ATOM 517 O ARG A 90 -12.545 -9.458 -5.275 1.00 0.00 O ATOM 518 CB ARG A 90 -11.062 -11.255 -7.651 1.00 0.00 C ATOM 519 CG ARG A 90 -12.545 -11.625 -7.728 1.00 0.00 C ATOM 520 CD ARG A 90 -12.699 -12.971 -8.436 1.00 0.00 C ATOM 521 NE ARG A 90 -14.113 -13.283 -8.623 1.00 0.00 N ATOM 522 CZ ARG A 90 -14.768 -12.881 -9.709 1.00 0.00 C ATOM 523 NH1 ARG A 90 -14.159 -12.847 -10.862 1.00 0.00 N ATOM 524 NH2 ARG A 90 -16.017 -12.520 -9.620 1.00 0.00 N ATOM 0 H ARG A 90 -8.864 -10.193 -7.350 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.475 -9.139 -7.535 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.630 -11.230 -8.652 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.516 -12.012 -7.087 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.970 -11.679 -6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.096 -10.854 -8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.195 -12.942 -9.402 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.220 -13.755 -7.850 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.607 -13.818 -7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.181 -13.129 -10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.661 -12.539 -11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.492 -12.546 -8.718 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.519 -12.212 -10.452 1.00 0.00 H new ATOM 538 N VAL A 91 -10.693 -10.572 -4.662 1.00 0.00 N ATOM 539 CA VAL A 91 -11.108 -10.702 -3.271 1.00 0.00 C ATOM 540 C VAL A 91 -11.299 -9.325 -2.645 1.00 0.00 C ATOM 541 O VAL A 91 -12.242 -9.106 -1.884 1.00 0.00 O ATOM 542 CB VAL A 91 -10.063 -11.490 -2.481 1.00 0.00 C ATOM 543 CG1 VAL A 91 -10.448 -11.510 -1.000 1.00 0.00 C ATOM 544 CG2 VAL A 91 -9.998 -12.925 -3.008 1.00 0.00 C ATOM 0 H VAL A 91 -9.786 -10.988 -4.874 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.056 -11.238 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.089 -11.015 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.702 -12.072 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.494 -10.489 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.423 -11.984 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.253 -13.486 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.973 -13.399 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.722 -12.913 -4.062 1.00 0.00 H new ATOM 554 N GLU A 92 -10.394 -8.408 -2.958 1.00 0.00 N ATOM 555 CA GLU A 92 -10.466 -7.060 -2.403 1.00 0.00 C ATOM 556 C GLU A 92 -11.648 -6.306 -2.992 1.00 0.00 C ATOM 557 O GLU A 92 -12.157 -5.360 -2.387 1.00 0.00 O ATOM 558 CB GLU A 92 -9.172 -6.301 -2.714 1.00 0.00 C ATOM 559 CG GLU A 92 -8.022 -6.894 -1.900 1.00 0.00 C ATOM 560 CD GLU A 92 -6.704 -6.244 -2.307 1.00 0.00 C ATOM 561 OE1 GLU A 92 -6.734 -5.375 -3.163 1.00 0.00 O ATOM 562 OE2 GLU A 92 -5.683 -6.626 -1.759 1.00 0.00 O ATOM 0 H GLU A 92 -9.607 -8.569 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.596 -7.135 -1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.948 -6.365 -3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.292 -5.244 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.200 -6.738 -0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.970 -7.971 -2.060 1.00 0.00 H new ATOM 569 N ASP A 93 -12.095 -6.731 -4.171 1.00 0.00 N ATOM 570 CA ASP A 93 -13.231 -6.089 -4.825 1.00 0.00 C ATOM 571 C ASP A 93 -14.538 -6.748 -4.391 1.00 0.00 C ATOM 572 O ASP A 93 -15.191 -7.433 -5.179 1.00 0.00 O ATOM 573 CB ASP A 93 -13.084 -6.195 -6.342 1.00 0.00 C ATOM 574 CG ASP A 93 -11.964 -5.279 -6.820 1.00 0.00 C ATOM 575 OD1 ASP A 93 -12.107 -4.076 -6.671 1.00 0.00 O ATOM 576 OD2 ASP A 93 -10.985 -5.791 -7.333 1.00 0.00 O ATOM 0 H ASP A 93 -11.691 -7.511 -4.689 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.252 -5.039 -4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.868 -7.226 -6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -14.021 -5.922 -6.827 1.00 0.00 H new ATOM 581 N LYS A 94 -14.913 -6.536 -3.134 1.00 0.00 N ATOM 582 CA LYS A 94 -16.142 -7.117 -2.606 1.00 0.00 C ATOM 583 C LYS A 94 -17.349 -6.630 -3.400 1.00 0.00 C ATOM 584 O LYS A 94 -18.257 -7.404 -3.705 1.00 0.00 O ATOM 585 CB LYS A 94 -16.310 -6.733 -1.134 1.00 0.00 C ATOM 586 CG LYS A 94 -15.225 -7.417 -0.300 1.00 0.00 C ATOM 587 CD LYS A 94 -15.402 -7.044 1.173 1.00 0.00 C ATOM 588 CE LYS A 94 -14.369 -7.792 2.017 1.00 0.00 C ATOM 589 NZ LYS A 94 -12.998 -7.359 1.622 1.00 0.00 N ATOM 0 H LYS A 94 -14.388 -5.971 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.076 -8.201 -2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -16.243 -5.651 -1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -17.297 -7.031 -0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.285 -8.498 -0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.238 -7.112 -0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -15.284 -5.968 1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -16.409 -7.296 1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.534 -7.592 3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.477 -8.867 1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.476 -8.170 1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.064 -6.613 0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.496 -6.992 2.456 1.00 0.00 H new ATOM 603 N ASP A 95 -17.352 -5.344 -3.734 1.00 0.00 N ATOM 604 CA ASP A 95 -18.457 -4.768 -4.492 1.00 0.00 C ATOM 605 C ASP A 95 -18.309 -5.080 -5.976 1.00 0.00 C ATOM 606 O ASP A 95 -19.164 -4.718 -6.785 1.00 0.00 O ATOM 607 CB ASP A 95 -18.485 -3.250 -4.294 1.00 0.00 C ATOM 608 CG ASP A 95 -17.123 -2.652 -4.633 1.00 0.00 C ATOM 609 OD1 ASP A 95 -16.204 -3.420 -4.865 1.00 0.00 O ATOM 610 OD2 ASP A 95 -17.017 -1.437 -4.650 1.00 0.00 O ATOM 0 H ASP A 95 -16.610 -4.686 -3.495 1.00 0.00 H new ATOM 0 HA ASP A 95 -19.388 -5.204 -4.130 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -19.253 -2.807 -4.928 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -18.748 -3.015 -3.263 1.00 0.00 H new ATOM 615 N GLY A 96 -17.226 -5.764 -6.327 1.00 0.00 N ATOM 616 CA GLY A 96 -16.983 -6.130 -7.716 1.00 0.00 C ATOM 617 C GLY A 96 -16.999 -4.897 -8.613 1.00 0.00 C ATOM 618 O GLY A 96 -17.197 -5.001 -9.824 1.00 0.00 O ATOM 0 H GLY A 96 -16.507 -6.074 -5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -16.020 -6.634 -7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.743 -6.837 -8.049 1.00 0.00 H new ATOM 622 N ASN A 97 -16.788 -3.732 -8.011 1.00 0.00 N ATOM 623 CA ASN A 97 -16.780 -2.484 -8.766 1.00 0.00 C ATOM 624 C ASN A 97 -15.522 -2.392 -9.626 1.00 0.00 C ATOM 625 O ASN A 97 -15.442 -1.571 -10.540 1.00 0.00 O ATOM 626 CB ASN A 97 -16.832 -1.293 -7.809 1.00 0.00 C ATOM 627 CG ASN A 97 -15.607 -1.299 -6.900 1.00 0.00 C ATOM 628 OD1 ASN A 97 -14.810 -2.236 -6.937 1.00 0.00 O ATOM 629 ND2 ASN A 97 -15.409 -0.301 -6.082 1.00 0.00 N ATOM 0 H ASN A 97 -16.621 -3.625 -7.010 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.656 -2.466 -9.414 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.870 -0.362 -8.375 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.741 -1.338 -7.209 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.592 -0.296 -5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.071 0.474 -6.054 1.00 0.00 H new ATOM 636 N GLY A 98 -14.543 -3.241 -9.330 1.00 0.00 N ATOM 637 CA GLY A 98 -13.295 -3.246 -10.084 1.00 0.00 C ATOM 638 C GLY A 98 -12.376 -2.128 -9.614 1.00 0.00 C ATOM 639 O GLY A 98 -11.487 -1.688 -10.346 1.00 0.00 O ATOM 0 H GLY A 98 -14.589 -3.930 -8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -12.796 -4.208 -9.964 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -13.506 -3.127 -11.147 1.00 0.00 H new ATOM 643 N TYR A 99 -12.581 -1.675 -8.380 1.00 0.00 N ATOM 644 CA TYR A 99 -11.755 -0.610 -7.818 1.00 0.00 C ATOM 645 C TYR A 99 -11.518 -0.848 -6.335 1.00 0.00 C ATOM 646 O TYR A 99 -12.378 -1.382 -5.630 1.00 0.00 O ATOM 647 CB TYR A 99 -12.438 0.741 -8.015 1.00 0.00 C ATOM 648 CG TYR A 99 -12.657 0.980 -9.489 1.00 0.00 C ATOM 649 CD1 TYR A 99 -11.610 1.464 -10.283 1.00 0.00 C ATOM 650 CD2 TYR A 99 -13.907 0.721 -10.063 1.00 0.00 C ATOM 651 CE1 TYR A 99 -11.813 1.687 -11.650 1.00 0.00 C ATOM 652 CE2 TYR A 99 -14.110 0.942 -11.430 1.00 0.00 C ATOM 653 CZ TYR A 99 -13.063 1.426 -12.224 1.00 0.00 C ATOM 654 OH TYR A 99 -13.263 1.645 -13.572 1.00 0.00 O ATOM 0 H TYR A 99 -13.306 -2.025 -7.754 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.795 -0.609 -8.335 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -13.391 0.760 -7.486 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -11.824 1.537 -7.593 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -10.646 1.665 -9.841 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -14.716 0.350 -9.450 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -11.005 2.060 -12.262 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -15.074 0.739 -11.872 1.00 0.00 H new ATOM 0 HH TYR A 99 -14.185 1.412 -13.808 1.00 0.00 H new ATOM 664 N ILE A 100 -10.342 -0.447 -5.853 1.00 0.00 N ATOM 665 CA ILE A 100 -10.005 -0.620 -4.442 1.00 0.00 C ATOM 666 C ILE A 100 -10.143 0.694 -3.694 1.00 0.00 C ATOM 667 O ILE A 100 -9.403 1.646 -3.937 1.00 0.00 O ATOM 668 CB ILE A 100 -8.567 -1.130 -4.307 1.00 0.00 C ATOM 669 CG1 ILE A 100 -8.341 -2.279 -5.296 1.00 0.00 C ATOM 670 CG2 ILE A 100 -8.327 -1.627 -2.881 1.00 0.00 C ATOM 671 CD1 ILE A 100 -9.418 -3.351 -5.093 1.00 0.00 C ATOM 0 H ILE A 100 -9.614 -0.004 -6.413 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.694 -1.347 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.873 -0.318 -4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.375 -1.904 -6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.351 -2.711 -5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -7.303 -1.989 -2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.487 -0.809 -2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.020 -2.438 -2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.256 -4.167 -5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.363 -3.734 -4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.402 -2.915 -5.264 1.00 0.00 H new ATOM 683 N SER A 101 -11.100 0.745 -2.770 1.00 0.00 N ATOM 684 CA SER A 101 -11.330 1.953 -1.979 1.00 0.00 C ATOM 685 C SER A 101 -10.682 1.819 -0.605 1.00 0.00 C ATOM 686 O SER A 101 -10.086 0.789 -0.284 1.00 0.00 O ATOM 687 CB SER A 101 -12.830 2.194 -1.814 1.00 0.00 C ATOM 688 OG SER A 101 -13.038 3.175 -0.806 1.00 0.00 O ATOM 0 H SER A 101 -11.725 -0.030 -2.551 1.00 0.00 H new ATOM 0 HA SER A 101 -10.884 2.799 -2.502 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.263 2.527 -2.757 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.332 1.265 -1.543 1.00 0.00 H new ATOM 0 HG SER A 101 -13.999 3.334 -0.698 1.00 0.00 H new ATOM 694 N ALA A 102 -10.800 2.866 0.205 1.00 0.00 N ATOM 695 CA ALA A 102 -10.220 2.853 1.543 1.00 0.00 C ATOM 696 C ALA A 102 -10.748 1.662 2.338 1.00 0.00 C ATOM 697 O ALA A 102 -9.981 0.933 2.958 1.00 0.00 O ATOM 698 CB ALA A 102 -10.572 4.151 2.275 1.00 0.00 C ATOM 0 H ALA A 102 -11.288 3.728 -0.039 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.137 2.768 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.136 4.135 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.176 5.001 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.655 4.242 2.354 1.00 0.00 H new ATOM 704 N ALA A 103 -12.061 1.471 2.313 1.00 0.00 N ATOM 705 CA ALA A 103 -12.676 0.365 3.043 1.00 0.00 C ATOM 706 C ALA A 103 -12.022 -0.957 2.661 1.00 0.00 C ATOM 707 O ALA A 103 -11.668 -1.756 3.528 1.00 0.00 O ATOM 708 CB ALA A 103 -14.172 0.305 2.729 1.00 0.00 C ATOM 0 H ALA A 103 -12.717 2.060 1.801 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.533 0.532 4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -14.626 -0.522 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -14.644 1.241 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -14.313 0.153 1.659 1.00 0.00 H new ATOM 714 N GLU A 104 -11.858 -1.178 1.363 1.00 0.00 N ATOM 715 CA GLU A 104 -11.236 -2.405 0.881 1.00 0.00 C ATOM 716 C GLU A 104 -9.741 -2.411 1.185 1.00 0.00 C ATOM 717 O GLU A 104 -9.170 -3.444 1.528 1.00 0.00 O ATOM 718 CB GLU A 104 -11.450 -2.540 -0.629 1.00 0.00 C ATOM 719 CG GLU A 104 -12.940 -2.410 -0.948 1.00 0.00 C ATOM 720 CD GLU A 104 -13.222 -2.931 -2.353 1.00 0.00 C ATOM 721 OE1 GLU A 104 -12.310 -2.907 -3.165 1.00 0.00 O ATOM 722 OE2 GLU A 104 -14.341 -3.346 -2.597 1.00 0.00 O ATOM 0 H GLU A 104 -12.144 -0.529 0.630 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.701 -3.247 1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.886 -1.771 -1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.076 -3.504 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -13.526 -2.970 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -13.247 -1.367 -0.870 1.00 0.00 H new ATOM 729 N LEU A 105 -9.117 -1.249 1.058 1.00 0.00 N ATOM 730 CA LEU A 105 -7.697 -1.126 1.320 1.00 0.00 C ATOM 731 C LEU A 105 -7.384 -1.400 2.785 1.00 0.00 C ATOM 732 O LEU A 105 -6.309 -1.904 3.121 1.00 0.00 O ATOM 733 CB LEU A 105 -7.209 0.277 0.944 1.00 0.00 C ATOM 734 CG LEU A 105 -5.670 0.345 1.069 1.00 0.00 C ATOM 735 CD1 LEU A 105 -5.094 1.128 -0.114 1.00 0.00 C ATOM 736 CD2 LEU A 105 -5.294 1.051 2.377 1.00 0.00 C ATOM 0 H LEU A 105 -9.573 -0.382 0.776 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.179 -1.866 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.511 0.516 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.669 1.019 1.596 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.262 -0.666 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.009 1.175 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.360 0.628 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.502 2.139 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.209 1.099 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.703 2.061 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.703 0.495 3.221 1.00 0.00 H new ATOM 748 N ARG A 106 -8.325 -1.057 3.654 1.00 0.00 N ATOM 749 CA ARG A 106 -8.152 -1.277 5.086 1.00 0.00 C ATOM 750 C ARG A 106 -8.210 -2.763 5.422 1.00 0.00 C ATOM 751 O ARG A 106 -7.461 -3.245 6.268 1.00 0.00 O ATOM 752 CB ARG A 106 -9.231 -0.522 5.864 1.00 0.00 C ATOM 753 CG ARG A 106 -8.920 0.977 5.852 1.00 0.00 C ATOM 754 CD ARG A 106 -10.072 1.742 6.501 1.00 0.00 C ATOM 755 NE ARG A 106 -9.805 3.175 6.475 1.00 0.00 N ATOM 756 CZ ARG A 106 -10.713 4.052 6.890 1.00 0.00 C ATOM 757 NH1 ARG A 106 -11.681 3.665 7.674 1.00 0.00 N ATOM 758 NH2 ARG A 106 -10.637 5.299 6.513 1.00 0.00 N ATOM 0 H ARG A 106 -9.213 -0.627 3.395 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.170 -0.901 5.373 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.209 -0.704 5.419 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -9.275 -0.886 6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.992 1.171 6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.773 1.320 4.828 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.002 1.529 5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.205 1.408 7.530 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.905 3.511 6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.740 2.690 7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -12.379 4.337 7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.880 5.601 5.899 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.334 5.972 6.832 1.00 0.00 H new ATOM 772 N HIS A 107 -9.115 -3.475 4.763 1.00 0.00 N ATOM 773 CA HIS A 107 -9.277 -4.902 5.011 1.00 0.00 C ATOM 774 C HIS A 107 -7.957 -5.633 4.794 1.00 0.00 C ATOM 775 O HIS A 107 -7.600 -6.528 5.562 1.00 0.00 O ATOM 776 CB HIS A 107 -10.339 -5.478 4.072 1.00 0.00 C ATOM 777 CG HIS A 107 -11.690 -4.928 4.443 1.00 0.00 C ATOM 778 ND1 HIS A 107 -12.870 -5.561 4.085 1.00 0.00 N ATOM 779 CD2 HIS A 107 -12.063 -3.805 5.140 1.00 0.00 C ATOM 780 CE1 HIS A 107 -13.887 -4.820 4.563 1.00 0.00 C ATOM 781 NE2 HIS A 107 -13.450 -3.739 5.214 1.00 0.00 N ATOM 0 H HIS A 107 -9.744 -3.091 4.058 1.00 0.00 H new ATOM 0 HA HIS A 107 -9.593 -5.040 6.045 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -10.102 -5.224 3.039 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -10.347 -6.566 4.139 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -11.382 -3.083 5.566 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -14.930 -5.069 4.435 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -14.013 -3.020 5.668 1.00 0.00 H new ATOM 789 N VAL A 108 -7.238 -5.247 3.747 1.00 0.00 N ATOM 790 CA VAL A 108 -5.959 -5.878 3.443 1.00 0.00 C ATOM 791 C VAL A 108 -4.958 -5.643 4.573 1.00 0.00 C ATOM 792 O VAL A 108 -4.300 -6.574 5.027 1.00 0.00 O ATOM 793 CB VAL A 108 -5.397 -5.309 2.136 1.00 0.00 C ATOM 794 CG1 VAL A 108 -3.978 -5.838 1.912 1.00 0.00 C ATOM 795 CG2 VAL A 108 -6.289 -5.737 0.969 1.00 0.00 C ATOM 0 H VAL A 108 -7.514 -4.508 3.100 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.121 -6.951 3.336 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.372 -4.221 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.581 -5.432 0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.341 -5.533 2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.001 -6.926 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -5.890 -5.333 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.314 -6.825 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.299 -5.359 1.125 1.00 0.00 H new ATOM 805 N MET A 109 -4.855 -4.395 5.016 1.00 0.00 N ATOM 806 CA MET A 109 -3.933 -4.045 6.092 1.00 0.00 C ATOM 807 C MET A 109 -4.385 -4.677 7.406 1.00 0.00 C ATOM 808 O MET A 109 -3.563 -5.081 8.227 1.00 0.00 O ATOM 809 CB MET A 109 -3.850 -2.529 6.243 1.00 0.00 C ATOM 810 CG MET A 109 -3.190 -1.929 4.999 1.00 0.00 C ATOM 811 SD MET A 109 -3.081 -0.131 5.182 1.00 0.00 S ATOM 812 CE MET A 109 -1.437 -0.077 5.934 1.00 0.00 C ATOM 0 H MET A 109 -5.395 -3.612 4.649 1.00 0.00 H new ATOM 0 HA MET A 109 -2.945 -4.430 5.840 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.848 -2.111 6.376 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.275 -2.272 7.133 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.195 -2.352 4.862 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.769 -2.180 4.110 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.148 0.960 6.103 1.00 0.00 H new ATOM 0 HE2 MET A 109 -1.455 -0.608 6.886 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.716 -0.550 5.267 1.00 0.00 H new ATOM 822 N THR A 110 -5.697 -4.755 7.596 1.00 0.00 N ATOM 823 CA THR A 110 -6.256 -5.336 8.812 1.00 0.00 C ATOM 824 C THR A 110 -5.810 -6.791 8.949 1.00 0.00 C ATOM 825 O THR A 110 -5.516 -7.260 10.048 1.00 0.00 O ATOM 826 CB THR A 110 -7.782 -5.264 8.778 1.00 0.00 C ATOM 827 OG1 THR A 110 -8.182 -3.960 8.386 1.00 0.00 O ATOM 828 CG2 THR A 110 -8.336 -5.572 10.169 1.00 0.00 C ATOM 0 H THR A 110 -6.392 -4.425 6.926 1.00 0.00 H new ATOM 0 HA THR A 110 -5.894 -4.769 9.669 1.00 0.00 H new ATOM 0 HB THR A 110 -8.167 -5.993 8.065 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.178 -3.897 7.408 1.00 0.00 H new ATOM 0 HG21 THR A 110 -9.425 -5.521 10.147 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.026 -6.572 10.471 1.00 0.00 H new ATOM 0 HG23 THR A 110 -7.953 -4.843 10.883 1.00 0.00 H new ATOM 836 N ASN A 111 -5.767 -7.501 7.825 1.00 0.00 N ATOM 837 CA ASN A 111 -5.361 -8.904 7.830 1.00 0.00 C ATOM 838 C ASN A 111 -3.963 -9.044 8.428 1.00 0.00 C ATOM 839 O ASN A 111 -3.666 -10.024 9.112 1.00 0.00 O ATOM 840 CB ASN A 111 -5.367 -9.455 6.404 1.00 0.00 C ATOM 841 CG ASN A 111 -4.904 -10.908 6.408 1.00 0.00 C ATOM 842 OD1 ASN A 111 -4.900 -11.557 7.453 1.00 0.00 O ATOM 843 ND2 ASN A 111 -4.513 -11.459 5.291 1.00 0.00 N ATOM 0 H ASN A 111 -6.006 -7.132 6.905 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.067 -9.471 8.437 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.369 -9.385 5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.712 -8.857 5.771 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.203 -12.431 5.283 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.518 -10.918 4.426 1.00 0.00 H new ATOM 850 N LEU A 112 -3.110 -8.059 8.169 1.00 0.00 N ATOM 851 CA LEU A 112 -1.748 -8.085 8.693 1.00 0.00 C ATOM 852 C LEU A 112 -1.749 -7.795 10.190 1.00 0.00 C ATOM 853 O LEU A 112 -0.715 -7.904 10.851 1.00 0.00 O ATOM 854 CB LEU A 112 -0.886 -7.044 7.964 1.00 0.00 C ATOM 855 CG LEU A 112 -0.344 -7.641 6.663 1.00 0.00 C ATOM 856 CD1 LEU A 112 -1.501 -7.908 5.702 1.00 0.00 C ATOM 857 CD2 LEU A 112 0.639 -6.663 6.026 1.00 0.00 C ATOM 0 H LEU A 112 -3.334 -7.239 7.605 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.330 -9.078 8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.478 -6.155 7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.060 -6.730 8.603 1.00 0.00 H new ATOM 0 HG LEU A 112 0.168 -8.579 6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.114 -8.333 4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.199 -8.609 6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.016 -6.973 5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.026 -7.087 5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.130 -5.724 5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.465 -6.478 6.713 1.00 0.00 H new ATOM 869 N GLY A 113 -2.910 -7.429 10.717 1.00 0.00 N ATOM 870 CA GLY A 113 -3.031 -7.132 12.139 1.00 0.00 C ATOM 871 C GLY A 113 -2.625 -5.699 12.438 1.00 0.00 C ATOM 872 O GLY A 113 -2.424 -5.326 13.594 1.00 0.00 O ATOM 0 H GLY A 113 -3.776 -7.331 10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.059 -7.296 12.461 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.405 -7.817 12.711 1.00 0.00 H new ATOM 876 N GLU A 114 -2.499 -4.894 11.388 1.00 0.00 N ATOM 877 CA GLU A 114 -2.109 -3.496 11.552 1.00 0.00 C ATOM 878 C GLU A 114 -3.342 -2.623 11.721 1.00 0.00 C ATOM 879 O GLU A 114 -4.336 -2.785 11.009 1.00 0.00 O ATOM 880 CB GLU A 114 -1.315 -3.030 10.330 1.00 0.00 C ATOM 881 CG GLU A 114 0.018 -3.778 10.275 1.00 0.00 C ATOM 882 CD GLU A 114 0.788 -3.382 9.019 1.00 0.00 C ATOM 883 OE1 GLU A 114 0.326 -2.494 8.321 1.00 0.00 O ATOM 884 OE2 GLU A 114 1.829 -3.968 8.777 1.00 0.00 O ATOM 0 H GLU A 114 -2.659 -5.181 10.422 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.486 -3.409 12.442 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.886 -3.214 9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -1.140 -1.956 10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.610 -3.549 11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.159 -4.854 10.279 1.00 0.00 H new ATOM 891 N LYS A 115 -3.271 -1.681 12.659 1.00 0.00 N ATOM 892 CA LYS A 115 -4.392 -0.774 12.908 1.00 0.00 C ATOM 893 C LYS A 115 -3.973 0.667 12.659 1.00 0.00 C ATOM 894 O LYS A 115 -3.154 1.225 13.391 1.00 0.00 O ATOM 895 CB LYS A 115 -4.867 -0.915 14.351 1.00 0.00 C ATOM 896 CG LYS A 115 -6.210 -0.197 14.515 1.00 0.00 C ATOM 897 CD LYS A 115 -6.659 -0.292 15.978 1.00 0.00 C ATOM 898 CE LYS A 115 -6.872 -1.762 16.364 1.00 0.00 C ATOM 899 NZ LYS A 115 -5.626 -2.290 16.989 1.00 0.00 N ATOM 0 H LYS A 115 -2.458 -1.525 13.255 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.203 -1.035 12.228 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.971 -1.969 14.610 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.129 -0.490 15.032 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.116 0.848 14.218 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.958 -0.647 13.863 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.909 0.159 16.628 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.583 0.268 16.121 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -7.707 -1.851 17.059 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.127 -2.349 15.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -5.316 -3.142 16.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.880 -1.567 16.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.811 -2.530 17.984 1.00 0.00 H new ATOM 913 N LEU A 116 -4.540 1.275 11.619 1.00 0.00 N ATOM 914 CA LEU A 116 -4.221 2.663 11.274 1.00 0.00 C ATOM 915 C LEU A 116 -5.455 3.540 11.403 1.00 0.00 C ATOM 916 O LEU A 116 -6.584 3.050 11.373 1.00 0.00 O ATOM 917 CB LEU A 116 -3.689 2.737 9.842 1.00 0.00 C ATOM 918 CG LEU A 116 -2.647 1.623 9.619 1.00 0.00 C ATOM 919 CD1 LEU A 116 -3.336 0.394 9.012 1.00 0.00 C ATOM 920 CD2 LEU A 116 -1.559 2.121 8.662 1.00 0.00 C ATOM 0 H LEU A 116 -5.220 0.832 11.001 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.457 3.023 11.964 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -4.509 2.629 9.133 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.238 3.713 9.661 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.195 1.354 10.574 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.600 -0.395 8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.109 0.037 9.692 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.789 0.665 8.058 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.823 1.332 8.506 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.010 2.391 7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.069 2.995 9.092 1.00 0.00 H new ATOM 932 N THR A 117 -5.233 4.842 11.551 1.00 0.00 N ATOM 933 CA THR A 117 -6.337 5.786 11.688 1.00 0.00 C ATOM 934 C THR A 117 -6.959 6.082 10.328 1.00 0.00 C ATOM 935 O THR A 117 -6.384 5.759 9.288 1.00 0.00 O ATOM 936 CB THR A 117 -5.839 7.085 12.321 1.00 0.00 C ATOM 937 OG1 THR A 117 -5.138 7.841 11.346 1.00 0.00 O ATOM 938 CG2 THR A 117 -4.907 6.763 13.490 1.00 0.00 C ATOM 0 H THR A 117 -4.306 5.266 11.579 1.00 0.00 H new ATOM 0 HA THR A 117 -7.095 5.340 12.331 1.00 0.00 H new ATOM 0 HB THR A 117 -6.688 7.661 12.689 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.570 8.504 11.792 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.553 7.691 13.940 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.447 6.181 14.237 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.055 6.187 13.128 1.00 0.00 H new ATOM 946 N ASP A 118 -8.140 6.691 10.344 1.00 0.00 N ATOM 947 CA ASP A 118 -8.836 7.018 9.105 1.00 0.00 C ATOM 948 C ASP A 118 -8.038 8.027 8.289 1.00 0.00 C ATOM 949 O ASP A 118 -7.937 7.912 7.067 1.00 0.00 O ATOM 950 CB ASP A 118 -10.218 7.592 9.420 1.00 0.00 C ATOM 951 CG ASP A 118 -11.137 6.490 9.936 1.00 0.00 C ATOM 952 OD1 ASP A 118 -10.810 5.331 9.740 1.00 0.00 O ATOM 953 OD2 ASP A 118 -12.156 6.821 10.521 1.00 0.00 O ATOM 0 H ASP A 118 -8.632 6.966 11.194 1.00 0.00 H new ATOM 0 HA ASP A 118 -8.945 6.104 8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -10.131 8.383 10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.646 8.044 8.525 1.00 0.00 H new ATOM 958 N GLU A 119 -7.470 9.019 8.970 1.00 0.00 N ATOM 959 CA GLU A 119 -6.684 10.044 8.299 1.00 0.00 C ATOM 960 C GLU A 119 -5.426 9.443 7.684 1.00 0.00 C ATOM 961 O GLU A 119 -5.010 9.835 6.594 1.00 0.00 O ATOM 962 CB GLU A 119 -6.299 11.138 9.296 1.00 0.00 C ATOM 963 CG GLU A 119 -5.659 10.505 10.531 1.00 0.00 C ATOM 964 CD GLU A 119 -5.309 11.581 11.551 1.00 0.00 C ATOM 965 OE1 GLU A 119 -6.133 12.454 11.767 1.00 0.00 O ATOM 966 OE2 GLU A 119 -4.221 11.517 12.099 1.00 0.00 O ATOM 0 H GLU A 119 -7.540 9.132 9.981 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.288 10.475 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.604 11.838 8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.182 11.709 9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -6.344 9.782 10.974 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -4.760 9.959 10.245 1.00 0.00 H new ATOM 973 N GLU A 120 -4.828 8.487 8.388 1.00 0.00 N ATOM 974 CA GLU A 120 -3.620 7.834 7.899 1.00 0.00 C ATOM 975 C GLU A 120 -3.907 7.070 6.613 1.00 0.00 C ATOM 976 O GLU A 120 -3.109 7.095 5.675 1.00 0.00 O ATOM 977 CB GLU A 120 -3.074 6.877 8.962 1.00 0.00 C ATOM 978 CG GLU A 120 -2.373 7.676 10.063 1.00 0.00 C ATOM 979 CD GLU A 120 -1.913 6.738 11.172 1.00 0.00 C ATOM 980 OE1 GLU A 120 -2.113 5.544 11.033 1.00 0.00 O ATOM 981 OE2 GLU A 120 -1.368 7.230 12.146 1.00 0.00 O ATOM 0 H GLU A 120 -5.158 8.150 9.292 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.874 8.601 7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.887 6.289 9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.375 6.174 8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.518 8.210 9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -3.052 8.427 10.468 1.00 0.00 H new ATOM 988 N VAL A 121 -5.048 6.395 6.575 1.00 0.00 N ATOM 989 CA VAL A 121 -5.430 5.630 5.396 1.00 0.00 C ATOM 990 C VAL A 121 -5.617 6.560 4.198 1.00 0.00 C ATOM 991 O VAL A 121 -5.146 6.272 3.101 1.00 0.00 O ATOM 992 CB VAL A 121 -6.735 4.873 5.663 1.00 0.00 C ATOM 993 CG1 VAL A 121 -7.223 4.215 4.370 1.00 0.00 C ATOM 994 CG2 VAL A 121 -6.489 3.797 6.721 1.00 0.00 C ATOM 0 H VAL A 121 -5.721 6.361 7.341 1.00 0.00 H new ATOM 0 HA VAL A 121 -4.636 4.917 5.173 1.00 0.00 H new ATOM 0 HB VAL A 121 -7.492 5.571 6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -8.151 3.677 4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -7.398 4.982 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.468 3.517 4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -7.416 3.257 6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.731 3.101 6.362 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -6.144 4.265 7.643 1.00 0.00 H new ATOM 1004 N ASP A 122 -6.312 7.670 4.418 1.00 0.00 N ATOM 1005 CA ASP A 122 -6.559 8.628 3.346 1.00 0.00 C ATOM 1006 C ASP A 122 -5.246 9.146 2.772 1.00 0.00 C ATOM 1007 O ASP A 122 -5.063 9.186 1.555 1.00 0.00 O ATOM 1008 CB ASP A 122 -7.382 9.804 3.879 1.00 0.00 C ATOM 1009 CG ASP A 122 -7.823 10.697 2.724 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -7.241 10.584 1.658 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -8.736 11.483 2.924 1.00 0.00 O ATOM 0 H ASP A 122 -6.711 7.928 5.320 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.112 8.122 2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -8.255 9.434 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -6.790 10.380 4.590 1.00 0.00 H new ATOM 1016 N GLU A 123 -4.337 9.539 3.654 1.00 0.00 N ATOM 1017 CA GLU A 123 -3.042 10.053 3.222 1.00 0.00 C ATOM 1018 C GLU A 123 -2.244 8.972 2.503 1.00 0.00 C ATOM 1019 O GLU A 123 -1.543 9.247 1.532 1.00 0.00 O ATOM 1020 CB GLU A 123 -2.249 10.553 4.434 1.00 0.00 C ATOM 1021 CG GLU A 123 -2.943 11.779 5.033 1.00 0.00 C ATOM 1022 CD GLU A 123 -2.860 12.952 4.062 1.00 0.00 C ATOM 1023 OE1 GLU A 123 -1.980 12.933 3.216 1.00 0.00 O ATOM 1024 OE2 GLU A 123 -3.673 13.853 4.180 1.00 0.00 O ATOM 0 H GLU A 123 -4.469 9.513 4.665 1.00 0.00 H new ATOM 0 HA GLU A 123 -3.214 10.878 2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -2.173 9.764 5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -1.232 10.808 4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -3.986 11.548 5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.474 12.046 5.980 1.00 0.00 H new ATOM 1031 N MET A 124 -2.360 7.740 2.983 1.00 0.00 N ATOM 1032 CA MET A 124 -1.642 6.628 2.376 1.00 0.00 C ATOM 1033 C MET A 124 -2.071 6.438 0.926 1.00 0.00 C ATOM 1034 O MET A 124 -1.242 6.178 0.054 1.00 0.00 O ATOM 1035 CB MET A 124 -1.908 5.342 3.167 1.00 0.00 C ATOM 1036 CG MET A 124 -1.106 4.189 2.558 1.00 0.00 C ATOM 1037 SD MET A 124 -1.382 2.685 3.523 1.00 0.00 S ATOM 1038 CE MET A 124 -0.764 1.510 2.293 1.00 0.00 C ATOM 0 H MET A 124 -2.939 7.488 3.784 1.00 0.00 H new ATOM 0 HA MET A 124 -0.576 6.853 2.397 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.628 5.481 4.211 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.972 5.107 3.151 1.00 0.00 H new ATOM 0 HG2 MET A 124 -1.407 4.030 1.523 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.045 4.437 2.547 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.842 0.497 2.687 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.356 1.592 1.382 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.279 1.733 2.069 1.00 0.00 H new ATOM 1048 N ILE A 125 -3.370 6.551 0.679 1.00 0.00 N ATOM 1049 CA ILE A 125 -3.898 6.380 -0.666 1.00 0.00 C ATOM 1050 C ILE A 125 -3.359 7.466 -1.591 1.00 0.00 C ATOM 1051 O ILE A 125 -2.971 7.192 -2.724 1.00 0.00 O ATOM 1052 CB ILE A 125 -5.427 6.447 -0.638 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -5.973 5.245 0.135 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -5.968 6.413 -2.072 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -7.472 5.430 0.379 1.00 0.00 C ATOM 0 H ILE A 125 -4.073 6.759 1.389 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.583 5.406 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.741 7.371 -0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -5.796 4.328 -0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -5.449 5.143 1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.057 6.461 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -5.578 7.265 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -5.655 5.489 -2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.859 4.573 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -7.637 6.338 0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -7.989 5.511 -0.577 1.00 0.00 H new ATOM 1067 N ARG A 126 -3.345 8.702 -1.104 1.00 0.00 N ATOM 1068 CA ARG A 126 -2.857 9.818 -1.905 1.00 0.00 C ATOM 1069 C ARG A 126 -1.396 9.619 -2.288 1.00 0.00 C ATOM 1070 O ARG A 126 -1.023 9.788 -3.448 1.00 0.00 O ATOM 1071 CB ARG A 126 -2.996 11.122 -1.108 1.00 0.00 C ATOM 1072 CG ARG A 126 -4.473 11.507 -1.004 1.00 0.00 C ATOM 1073 CD ARG A 126 -4.618 12.736 -0.105 1.00 0.00 C ATOM 1074 NE ARG A 126 -6.023 13.127 -0.004 1.00 0.00 N ATOM 1075 CZ ARG A 126 -6.542 14.052 -0.806 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -6.507 13.890 -2.100 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -7.079 15.125 -0.297 1.00 0.00 N ATOM 0 H ARG A 126 -3.662 8.955 -0.168 1.00 0.00 H new ATOM 0 HA ARG A 126 -3.452 9.870 -2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -2.571 10.998 -0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -2.436 11.919 -1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -4.875 11.719 -1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -5.049 10.676 -0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.222 12.518 0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.032 13.562 -0.508 1.00 0.00 H new ATOM 0 HE ARG A 126 -6.617 12.681 0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -6.081 13.053 -2.498 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -6.906 14.600 -2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -7.101 15.254 0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -7.478 15.836 -0.910 1.00 0.00 H new ATOM 1091 N GLU A 127 -0.575 9.248 -1.310 1.00 0.00 N ATOM 1092 CA GLU A 127 0.839 9.025 -1.563 1.00 0.00 C ATOM 1093 C GLU A 127 1.046 7.835 -2.491 1.00 0.00 C ATOM 1094 O GLU A 127 1.900 7.870 -3.377 1.00 0.00 O ATOM 1095 CB GLU A 127 1.570 8.778 -0.237 1.00 0.00 C ATOM 1096 CG GLU A 127 1.812 10.111 0.473 1.00 0.00 C ATOM 1097 CD GLU A 127 0.494 10.845 0.676 1.00 0.00 C ATOM 1098 OE1 GLU A 127 -0.045 11.338 -0.304 1.00 0.00 O ATOM 1099 OE2 GLU A 127 0.044 10.912 1.805 1.00 0.00 O ATOM 0 H GLU A 127 -0.864 9.097 -0.344 1.00 0.00 H new ATOM 0 HA GLU A 127 1.245 9.914 -2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.979 8.118 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 127 2.519 8.276 -0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.292 9.937 1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.493 10.726 -0.115 1.00 0.00 H new ATOM 1106 N ALA A 128 0.267 6.783 -2.276 1.00 0.00 N ATOM 1107 CA ALA A 128 0.379 5.584 -3.096 1.00 0.00 C ATOM 1108 C ALA A 128 -0.309 5.781 -4.440 1.00 0.00 C ATOM 1109 O ALA A 128 0.075 5.173 -5.439 1.00 0.00 O ATOM 1110 CB ALA A 128 -0.250 4.395 -2.366 1.00 0.00 C ATOM 0 H ALA A 128 -0.444 6.735 -1.546 1.00 0.00 H new ATOM 0 HA ALA A 128 1.436 5.387 -3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.163 3.501 -2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.267 4.234 -1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -1.303 4.602 -2.173 1.00 0.00 H new ATOM 1116 N ASP A 129 -1.328 6.631 -4.457 1.00 0.00 N ATOM 1117 CA ASP A 129 -2.067 6.895 -5.686 1.00 0.00 C ATOM 1118 C ASP A 129 -1.254 7.791 -6.616 1.00 0.00 C ATOM 1119 O ASP A 129 -1.107 8.986 -6.372 1.00 0.00 O ATOM 1120 CB ASP A 129 -3.399 7.576 -5.358 1.00 0.00 C ATOM 1121 CG ASP A 129 -4.120 7.960 -6.645 1.00 0.00 C ATOM 1122 OD1 ASP A 129 -3.691 7.515 -7.696 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -5.091 8.693 -6.560 1.00 0.00 O ATOM 0 H ASP A 129 -1.660 7.146 -3.641 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.257 5.945 -6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -4.024 6.906 -4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -3.223 8.464 -4.751 1.00 0.00 H new ATOM 1128 N ILE A 130 -0.729 7.199 -7.684 1.00 0.00 N ATOM 1129 CA ILE A 130 0.064 7.946 -8.651 1.00 0.00 C ATOM 1130 C ILE A 130 -0.830 8.845 -9.497 1.00 0.00 C ATOM 1131 O ILE A 130 -0.422 9.927 -9.919 1.00 0.00 O ATOM 1132 CB ILE A 130 0.835 6.984 -9.554 1.00 0.00 C ATOM 1133 CG1 ILE A 130 1.720 6.079 -8.694 1.00 0.00 C ATOM 1134 CG2 ILE A 130 1.713 7.784 -10.519 1.00 0.00 C ATOM 1135 CD1 ILE A 130 2.287 4.950 -9.556 1.00 0.00 C ATOM 0 H ILE A 130 -0.838 6.208 -7.900 1.00 0.00 H new ATOM 0 HA ILE A 130 0.772 8.570 -8.106 1.00 0.00 H new ATOM 0 HB ILE A 130 0.132 6.375 -10.121 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.532 6.658 -8.255 1.00 0.00 H new ATOM 0 HG13 ILE A 130 1.141 5.665 -7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 130 2.263 7.099 -11.164 1.00 0.00 H new ATOM 0 HG22 ILE A 130 1.085 8.432 -11.131 1.00 0.00 H new ATOM 0 HG23 ILE A 130 2.417 8.392 -9.951 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.917 4.306 -8.943 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.468 4.365 -9.974 1.00 0.00 H new ATOM 0 HD13 ILE A 130 2.881 5.374 -10.366 1.00 0.00 H new ATOM 1147 N ASP A 131 -2.049 8.384 -9.754 1.00 0.00 N ATOM 1148 CA ASP A 131 -2.990 9.148 -10.565 1.00 0.00 C ATOM 1149 C ASP A 131 -3.659 10.230 -9.726 1.00 0.00 C ATOM 1150 O ASP A 131 -4.471 11.008 -10.228 1.00 0.00 O ATOM 1151 CB ASP A 131 -4.059 8.217 -11.140 1.00 0.00 C ATOM 1152 CG ASP A 131 -3.401 7.063 -11.888 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -2.528 7.329 -12.698 1.00 0.00 O ATOM 1154 OD2 ASP A 131 -3.778 5.930 -11.637 1.00 0.00 O ATOM 0 H ASP A 131 -2.407 7.491 -9.415 1.00 0.00 H new ATOM 0 HA ASP A 131 -2.441 9.619 -11.380 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -4.685 7.830 -10.336 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.712 8.772 -11.814 1.00 0.00 H new ATOM 1159 N GLY A 132 -3.313 10.277 -8.442 1.00 0.00 N ATOM 1160 CA GLY A 132 -3.886 11.271 -7.542 1.00 0.00 C ATOM 1161 C GLY A 132 -5.391 11.379 -7.744 1.00 0.00 C ATOM 1162 O GLY A 132 -5.986 12.432 -7.511 1.00 0.00 O ATOM 0 H GLY A 132 -2.644 9.643 -8.005 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -3.672 10.999 -6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -3.420 12.240 -7.719 1.00 0.00 H new ATOM 1166 N ASP A 133 -6.007 10.282 -8.181 1.00 0.00 N ATOM 1167 CA ASP A 133 -7.449 10.268 -8.413 1.00 0.00 C ATOM 1168 C ASP A 133 -8.194 9.911 -7.133 1.00 0.00 C ATOM 1169 O ASP A 133 -9.424 9.942 -7.090 1.00 0.00 O ATOM 1170 CB ASP A 133 -7.790 9.251 -9.504 1.00 0.00 C ATOM 1171 CG ASP A 133 -7.158 7.903 -9.175 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -6.649 7.765 -8.077 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -7.192 7.029 -10.027 1.00 0.00 O ATOM 0 H ASP A 133 -5.535 9.400 -8.380 1.00 0.00 H new ATOM 0 HA ASP A 133 -7.757 11.263 -8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -8.871 9.144 -9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -7.429 9.606 -10.469 1.00 0.00 H new ATOM 1178 N GLY A 134 -7.441 9.582 -6.089 1.00 0.00 N ATOM 1179 CA GLY A 134 -8.041 9.228 -4.806 1.00 0.00 C ATOM 1180 C GLY A 134 -8.445 7.764 -4.781 1.00 0.00 C ATOM 1181 O GLY A 134 -8.907 7.250 -3.759 1.00 0.00 O ATOM 0 H GLY A 134 -6.422 9.553 -6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -7.333 9.428 -4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.915 9.854 -4.624 1.00 0.00 H new ATOM 1185 N GLN A 135 -8.271 7.083 -5.911 1.00 0.00 N ATOM 1186 CA GLN A 135 -8.625 5.669 -6.007 1.00 0.00 C ATOM 1187 C GLN A 135 -7.568 4.909 -6.793 1.00 0.00 C ATOM 1188 O GLN A 135 -6.868 5.476 -7.634 1.00 0.00 O ATOM 1189 CB GLN A 135 -9.983 5.517 -6.694 1.00 0.00 C ATOM 1190 CG GLN A 135 -11.076 6.104 -5.799 1.00 0.00 C ATOM 1191 CD GLN A 135 -12.425 6.025 -6.503 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -12.508 5.547 -7.634 1.00 0.00 O ATOM 1193 NE2 GLN A 135 -13.494 6.458 -5.895 1.00 0.00 N ATOM 0 H GLN A 135 -7.890 7.484 -6.768 1.00 0.00 H new ATOM 0 HA GLN A 135 -8.680 5.256 -5.000 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -9.974 6.027 -7.657 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -10.187 4.465 -6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -11.116 5.559 -4.856 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -10.842 7.141 -5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -13.423 6.854 -4.958 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -14.402 6.401 -6.357 1.00 0.00 H new ATOM 1202 N VAL A 136 -7.447 3.611 -6.517 1.00 0.00 N ATOM 1203 CA VAL A 136 -6.465 2.778 -7.207 1.00 0.00 C ATOM 1204 C VAL A 136 -7.136 1.960 -8.300 1.00 0.00 C ATOM 1205 O VAL A 136 -8.103 1.242 -8.051 1.00 0.00 O ATOM 1206 CB VAL A 136 -5.785 1.842 -6.207 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -4.633 1.107 -6.896 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -5.236 2.661 -5.036 1.00 0.00 C ATOM 0 H VAL A 136 -8.012 3.117 -5.826 1.00 0.00 H new ATOM 0 HA VAL A 136 -5.717 3.426 -7.663 1.00 0.00 H new ATOM 0 HB VAL A 136 -6.510 1.117 -5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.149 0.440 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -5.021 0.525 -7.732 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.908 1.832 -7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -4.751 1.995 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.511 3.386 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -6.055 3.186 -4.544 1.00 0.00 H new ATOM 1218 N ASN A 137 -6.611 2.066 -9.518 1.00 0.00 N ATOM 1219 CA ASN A 137 -7.165 1.328 -10.649 1.00 0.00 C ATOM 1220 C ASN A 137 -6.479 -0.025 -10.797 1.00 0.00 C ATOM 1221 O ASN A 137 -5.432 -0.268 -10.201 1.00 0.00 O ATOM 1222 CB ASN A 137 -6.984 2.134 -11.936 1.00 0.00 C ATOM 1223 CG ASN A 137 -7.860 3.382 -11.898 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -8.910 3.386 -11.257 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -7.485 4.450 -12.548 1.00 0.00 N ATOM 0 H ASN A 137 -5.808 2.652 -9.746 1.00 0.00 H new ATOM 0 HA ASN A 137 -8.227 1.166 -10.465 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.938 2.417 -12.053 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.247 1.521 -12.798 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -8.063 5.290 -12.525 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -6.614 4.444 -13.079 1.00 0.00 H new ATOM 1232 N TYR A 138 -7.084 -0.907 -11.591 1.00 0.00 N ATOM 1233 CA TYR A 138 -6.522 -2.238 -11.801 1.00 0.00 C ATOM 1234 C TYR A 138 -5.117 -2.131 -12.390 1.00 0.00 C ATOM 1235 O TYR A 138 -4.176 -2.743 -11.886 1.00 0.00 O ATOM 1236 CB TYR A 138 -7.416 -3.031 -12.755 1.00 0.00 C ATOM 1237 CG TYR A 138 -6.800 -4.386 -13.013 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -6.950 -5.410 -12.072 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -6.078 -4.615 -14.190 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -6.379 -6.667 -12.308 1.00 0.00 C ATOM 1241 CE2 TYR A 138 -5.508 -5.872 -14.426 1.00 0.00 C ATOM 1242 CZ TYR A 138 -5.658 -6.897 -13.485 1.00 0.00 C ATOM 1243 OH TYR A 138 -5.096 -8.136 -13.718 1.00 0.00 O ATOM 0 H TYR A 138 -7.953 -0.726 -12.094 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.467 -2.752 -10.841 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.411 -3.148 -12.325 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.535 -2.489 -13.693 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.506 -5.231 -11.164 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.961 -3.823 -14.915 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -6.495 -7.458 -11.582 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -4.952 -6.051 -15.335 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.631 -8.127 -14.581 1.00 0.00 H new ATOM 1253 N GLU A 139 -4.982 -1.347 -13.455 1.00 0.00 N ATOM 1254 CA GLU A 139 -3.685 -1.165 -14.098 1.00 0.00 C ATOM 1255 C GLU A 139 -2.690 -0.545 -13.121 1.00 0.00 C ATOM 1256 O GLU A 139 -1.515 -0.912 -13.100 1.00 0.00 O ATOM 1257 CB GLU A 139 -3.831 -0.259 -15.322 1.00 0.00 C ATOM 1258 CG GLU A 139 -4.670 -0.968 -16.384 1.00 0.00 C ATOM 1259 CD GLU A 139 -4.875 -0.051 -17.585 1.00 0.00 C ATOM 1260 OE1 GLU A 139 -5.106 1.127 -17.373 1.00 0.00 O ATOM 1261 OE2 GLU A 139 -4.795 -0.542 -18.699 1.00 0.00 O ATOM 0 H GLU A 139 -5.748 -0.831 -13.888 1.00 0.00 H new ATOM 0 HA GLU A 139 -3.314 -2.141 -14.412 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -4.304 0.681 -15.038 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -2.848 -0.012 -15.724 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -4.174 -1.886 -16.698 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.635 -1.254 -15.966 1.00 0.00 H new ATOM 1268 N GLU A 140 -3.166 0.399 -12.306 1.00 0.00 N ATOM 1269 CA GLU A 140 -2.311 1.052 -11.332 1.00 0.00 C ATOM 1270 C GLU A 140 -1.982 0.102 -10.183 1.00 0.00 C ATOM 1271 O GLU A 140 -0.870 0.113 -9.659 1.00 0.00 O ATOM 1272 CB GLU A 140 -3.012 2.303 -10.782 1.00 0.00 C ATOM 1273 CG GLU A 140 -1.965 3.324 -10.342 1.00 0.00 C ATOM 1274 CD GLU A 140 -2.616 4.411 -9.495 1.00 0.00 C ATOM 1275 OE1 GLU A 140 -3.411 4.066 -8.637 1.00 0.00 O ATOM 1276 OE2 GLU A 140 -2.315 5.570 -9.718 1.00 0.00 O ATOM 0 H GLU A 140 -4.134 0.722 -12.306 1.00 0.00 H new ATOM 0 HA GLU A 140 -1.382 1.340 -11.824 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.658 2.736 -11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -3.650 2.034 -9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.180 2.828 -9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.490 3.769 -11.216 1.00 0.00 H new ATOM 1283 N PHE A 141 -2.960 -0.711 -9.793 1.00 0.00 N ATOM 1284 CA PHE A 141 -2.759 -1.658 -8.702 1.00 0.00 C ATOM 1285 C PHE A 141 -1.634 -2.624 -9.056 1.00 0.00 C ATOM 1286 O PHE A 141 -0.731 -2.858 -8.251 1.00 0.00 O ATOM 1287 CB PHE A 141 -4.054 -2.430 -8.442 1.00 0.00 C ATOM 1288 CG PHE A 141 -3.808 -3.489 -7.392 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -3.554 -3.115 -6.068 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -3.830 -4.845 -7.746 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -3.324 -4.096 -5.097 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -3.599 -5.825 -6.776 1.00 0.00 C ATOM 1293 CZ PHE A 141 -3.347 -5.452 -5.451 1.00 0.00 C ATOM 0 H PHE A 141 -3.890 -0.733 -10.211 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.484 -1.113 -7.799 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.836 -1.748 -8.109 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.406 -2.892 -9.364 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.535 -2.070 -5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.025 -5.133 -8.768 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -3.129 -3.808 -4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.615 -6.870 -7.049 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.170 -6.209 -4.701 1.00 0.00 H new ATOM 1303 N VAL A 142 -1.719 -3.221 -10.240 1.00 0.00 N ATOM 1304 CA VAL A 142 -0.712 -4.189 -10.663 1.00 0.00 C ATOM 1305 C VAL A 142 0.668 -3.557 -10.645 1.00 0.00 C ATOM 1306 O VAL A 142 1.612 -4.124 -10.093 1.00 0.00 O ATOM 1307 CB VAL A 142 -1.030 -4.673 -12.082 1.00 0.00 C ATOM 1308 CG1 VAL A 142 0.102 -5.570 -12.585 1.00 0.00 C ATOM 1309 CG2 VAL A 142 -2.340 -5.464 -12.076 1.00 0.00 C ATOM 0 H VAL A 142 -2.464 -3.055 -10.916 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.725 -5.033 -9.973 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.130 -3.810 -12.740 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.127 -5.913 -13.594 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.035 -5.007 -12.596 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.205 -6.431 -11.924 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.563 -5.806 -13.087 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -2.242 -6.325 -11.414 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -3.149 -4.825 -11.723 1.00 0.00 H new ATOM 1319 N GLN A 143 0.785 -2.369 -11.235 1.00 0.00 N ATOM 1320 CA GLN A 143 2.060 -1.664 -11.260 1.00 0.00 C ATOM 1321 C GLN A 143 2.460 -1.220 -9.855 1.00 0.00 C ATOM 1322 O GLN A 143 3.611 -1.350 -9.459 1.00 0.00 O ATOM 1323 CB GLN A 143 1.962 -0.445 -12.179 1.00 0.00 C ATOM 1324 CG GLN A 143 1.760 -0.911 -13.623 1.00 0.00 C ATOM 1325 CD GLN A 143 1.689 0.294 -14.554 1.00 0.00 C ATOM 1326 OE1 GLN A 143 2.558 1.165 -14.510 1.00 0.00 O ATOM 1327 NE2 GLN A 143 0.698 0.398 -15.397 1.00 0.00 N ATOM 0 H GLN A 143 0.019 -1.880 -11.698 1.00 0.00 H new ATOM 0 HA GLN A 143 2.823 -2.344 -11.639 1.00 0.00 H new ATOM 0 HB2 GLN A 143 1.132 0.190 -11.871 1.00 0.00 H new ATOM 0 HB3 GLN A 143 2.868 0.156 -12.103 1.00 0.00 H new ATOM 0 HG2 GLN A 143 2.580 -1.564 -13.921 1.00 0.00 H new ATOM 0 HG3 GLN A 143 0.843 -1.495 -13.700 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -0.020 -0.325 -15.431 1.00 0.00 H new ATOM 0 HE22 GLN A 143 0.642 1.202 -16.022 1.00 0.00 H new ATOM 1336 N MET A 144 1.497 -0.684 -9.116 1.00 0.00 N ATOM 1337 CA MET A 144 1.758 -0.213 -7.764 1.00 0.00 C ATOM 1338 C MET A 144 2.294 -1.349 -6.899 1.00 0.00 C ATOM 1339 O MET A 144 3.173 -1.143 -6.062 1.00 0.00 O ATOM 1340 CB MET A 144 0.471 0.337 -7.140 1.00 0.00 C ATOM 1341 CG MET A 144 0.765 0.859 -5.730 1.00 0.00 C ATOM 1342 SD MET A 144 0.713 -0.517 -4.553 1.00 0.00 S ATOM 1343 CE MET A 144 -1.063 -0.460 -4.216 1.00 0.00 C ATOM 0 H MET A 144 0.533 -0.565 -9.429 1.00 0.00 H new ATOM 0 HA MET A 144 2.504 0.580 -7.815 1.00 0.00 H new ATOM 0 HB2 MET A 144 0.069 1.139 -7.759 1.00 0.00 H new ATOM 0 HB3 MET A 144 -0.288 -0.445 -7.098 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.745 1.336 -5.704 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.033 1.617 -5.452 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.323 -1.239 -3.499 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.324 0.514 -3.803 1.00 0.00 H new ATOM 0 HE3 MET A 144 -1.614 -0.621 -5.142 1.00 0.00 H new ATOM 1353 N MET A 145 1.771 -2.549 -7.118 1.00 0.00 N ATOM 1354 CA MET A 145 2.213 -3.717 -6.366 1.00 0.00 C ATOM 1355 C MET A 145 3.590 -4.170 -6.845 1.00 0.00 C ATOM 1356 O MET A 145 4.407 -4.655 -6.064 1.00 0.00 O ATOM 1357 CB MET A 145 1.208 -4.856 -6.529 1.00 0.00 C ATOM 1358 CG MET A 145 -0.018 -4.583 -5.655 1.00 0.00 C ATOM 1359 SD MET A 145 0.444 -4.687 -3.905 1.00 0.00 S ATOM 1360 CE MET A 145 0.771 -6.468 -3.864 1.00 0.00 C ATOM 0 H MET A 145 1.043 -2.739 -7.807 1.00 0.00 H new ATOM 0 HA MET A 145 2.280 -3.446 -5.312 1.00 0.00 H new ATOM 0 HB2 MET A 145 0.910 -4.946 -7.574 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.667 -5.803 -6.245 1.00 0.00 H new ATOM 0 HG2 MET A 145 -0.422 -3.595 -5.876 1.00 0.00 H new ATOM 0 HG3 MET A 145 -0.803 -5.305 -5.877 1.00 0.00 H new ATOM 0 HE1 MET A 145 0.298 -6.905 -2.985 1.00 0.00 H new ATOM 0 HE2 MET A 145 0.366 -6.933 -4.763 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.847 -6.640 -3.820 1.00 0.00 H new ATOM 1370 N THR A 146 3.838 -4.024 -8.146 1.00 0.00 N ATOM 1371 CA THR A 146 5.113 -4.431 -8.725 1.00 0.00 C ATOM 1372 C THR A 146 6.081 -3.254 -8.775 1.00 0.00 C ATOM 1373 O THR A 146 7.235 -3.407 -9.171 1.00 0.00 O ATOM 1374 CB THR A 146 4.889 -4.982 -10.140 1.00 0.00 C ATOM 1375 OG1 THR A 146 3.898 -4.210 -10.796 1.00 0.00 O ATOM 1376 CG2 THR A 146 4.439 -6.442 -10.066 1.00 0.00 C ATOM 0 H THR A 146 3.176 -3.629 -8.814 1.00 0.00 H new ATOM 0 HA THR A 146 5.547 -5.210 -8.098 1.00 0.00 H new ATOM 0 HB THR A 146 5.823 -4.926 -10.699 1.00 0.00 H new ATOM 0 HG1 THR A 146 3.009 -4.522 -10.527 1.00 0.00 H new ATOM 0 HG21 THR A 146 4.282 -6.826 -11.074 1.00 0.00 H new ATOM 0 HG22 THR A 146 5.206 -7.034 -9.567 1.00 0.00 H new ATOM 0 HG23 THR A 146 3.508 -6.508 -9.504 1.00 0.00 H new ATOM 1384 N ALA A 147 5.599 -2.088 -8.381 1.00 0.00 N ATOM 1385 CA ALA A 147 6.426 -0.887 -8.390 1.00 0.00 C ATOM 1386 C ALA A 147 7.663 -1.088 -7.524 1.00 0.00 C ATOM 1387 O ALA A 147 7.580 -1.625 -6.420 1.00 0.00 O ATOM 1388 CB ALA A 147 5.624 0.308 -7.868 1.00 0.00 C ATOM 0 H ALA A 147 4.644 -1.944 -8.052 1.00 0.00 H new ATOM 0 HA ALA A 147 6.738 -0.691 -9.416 1.00 0.00 H new ATOM 0 HB1 ALA A 147 6.251 1.200 -7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 147 4.754 0.468 -8.505 1.00 0.00 H new ATOM 0 HB3 ALA A 147 5.295 0.108 -6.848 1.00 0.00 H new ATOM 1394 N LYS A 148 8.812 -0.654 -8.032 1.00 0.00 N ATOM 1395 CA LYS A 148 10.064 -0.793 -7.295 1.00 0.00 C ATOM 1396 C LYS A 148 10.250 0.368 -6.327 1.00 0.00 C ATOM 1397 O LYS A 148 10.520 0.109 -5.166 1.00 0.00 O ATOM 1398 CB LYS A 148 11.237 -0.835 -8.270 1.00 0.00 C ATOM 1399 CG LYS A 148 12.489 -1.343 -7.545 1.00 0.00 C ATOM 1400 CD LYS A 148 13.637 -1.510 -8.550 1.00 0.00 C ATOM 1401 CE LYS A 148 14.345 -0.167 -8.747 1.00 0.00 C ATOM 1402 NZ LYS A 148 14.952 0.264 -7.454 1.00 0.00 N ATOM 1403 OXT LYS A 148 10.119 1.501 -6.760 1.00 0.00 O ATOM 0 H LYS A 148 8.903 -0.206 -8.944 1.00 0.00 H new ATOM 0 HA LYS A 148 10.027 -1.722 -6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 148 11.001 -1.487 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 148 11.419 0.159 -8.679 1.00 0.00 H new ATOM 0 HG2 LYS A 148 12.777 -0.642 -6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 148 12.278 -2.295 -7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 148 14.345 -2.256 -8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 148 13.250 -1.872 -9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 148 15.116 -0.258 -9.512 1.00 0.00 H new ATOM 0 HE3 LYS A 148 13.636 0.583 -9.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 15.830 0.789 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 14.284 0.877 -6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 15.166 -0.573 -6.875 1.00 0.00 H new TER 1417 LYS A 148 HETATM 1418 CA CA A 149 -13.890 -3.127 -5.047 1.00 0.00 CA HETATM 1419 CA CA A 150 -4.930 5.935 -9.303 1.00 0.00 CA