USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 863 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 THR OG1 : rot -57:sc= -2.38! USER MOD Set 1.2: A 64 LYS NZ :NH3+ 152:sc= -1.31! (180deg=-0.533) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= -0.183 (180deg=-0.935) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0782 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 17 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.16) USER MOD Single : A 19 SER OG : rot -44:sc= -0.243! USER MOD Single : A 20 SER OG : rot 91:sc= 0.0332 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0211 X(o=-0.021,f=-0.35) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.626 K(o=-0.63,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -130:sc= -4.5! USER MOD Single : A 35 GLN : amide:sc= -0.0793 K(o=-0.079,f=-1.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -4.14! K(o=-4.1!,f=-2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 178:sc= -0.997 USER MOD Single : A 48 ASN : amide:sc= -6.19! C(o=-6.2!,f=-5.6!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -2.67! K(o=-2.7!,f=-1.4) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 70:sc= -1.54 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -88:sc= -1.24! USER MOD Single : A 73 THR OG1 : rot -8:sc= 0.449 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc=-0.00154 USER MOD Single : A 84 ASN : amide:sc= -0.645 K(o=-0.64,f=-0.078) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= -1.46 (180deg=-2.7!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0847 USER MOD Single : A 96 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.48) USER MOD Single : A 98 ASN : amide:sc= -4.12! K(o=-4.1!,f=0.7) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -3.53! K(o=-3.5!,f=-0.047) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -1.06 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.0584 K(o=-0.058,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.512 7.562 -15.257 1.00 0.00 N ATOM 2 CA MET A 1 -25.756 6.955 -14.705 1.00 0.00 C ATOM 3 C MET A 1 -26.027 7.533 -13.320 1.00 0.00 C ATOM 4 O MET A 1 -25.100 7.782 -12.550 1.00 0.00 O ATOM 5 CB MET A 1 -25.581 5.437 -14.613 1.00 0.00 C ATOM 6 CG MET A 1 -25.462 4.852 -16.021 1.00 0.00 C ATOM 7 SD MET A 1 -24.769 3.182 -15.925 1.00 0.00 S ATOM 8 CE MET A 1 -26.246 2.296 -16.482 1.00 0.00 C ATOM 0 H1 MET A 1 -24.707 7.957 -16.199 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.186 8.320 -14.625 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.774 6.833 -15.333 1.00 0.00 H new ATOM 0 HA MET A 1 -26.599 7.179 -15.358 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.691 5.197 -14.031 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.430 4.993 -14.094 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.441 4.824 -16.498 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.825 5.487 -16.637 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.043 1.225 -16.500 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.071 2.498 -15.798 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.515 2.631 -17.484 1.00 0.00 H new ATOM 18 N THR A 2 -27.302 7.744 -13.009 1.00 0.00 N ATOM 19 CA THR A 2 -27.678 8.294 -11.711 1.00 0.00 C ATOM 20 C THR A 2 -27.640 7.207 -10.639 1.00 0.00 C ATOM 21 O THR A 2 -27.608 6.017 -10.950 1.00 0.00 O ATOM 22 CB THR A 2 -29.082 8.900 -11.783 1.00 0.00 C ATOM 23 OG1 THR A 2 -29.526 8.906 -13.132 1.00 0.00 O ATOM 24 CG2 THR A 2 -29.052 10.334 -11.251 1.00 0.00 C ATOM 0 H THR A 2 -28.086 7.545 -13.631 1.00 0.00 H new ATOM 0 HA THR A 2 -26.964 9.074 -11.447 1.00 0.00 H new ATOM 0 HB THR A 2 -29.764 8.304 -11.177 1.00 0.00 H new ATOM 0 HG1 THR A 2 -30.425 9.292 -13.179 1.00 0.00 H new ATOM 0 HG21 THR A 2 -30.053 10.763 -11.304 1.00 0.00 H new ATOM 0 HG22 THR A 2 -28.713 10.331 -10.215 1.00 0.00 H new ATOM 0 HG23 THR A 2 -28.369 10.932 -11.855 1.00 0.00 H new ATOM 32 N ALA A 3 -27.641 7.626 -9.378 1.00 0.00 N ATOM 33 CA ALA A 3 -27.603 6.679 -8.268 1.00 0.00 C ATOM 34 C ALA A 3 -28.656 7.028 -7.221 1.00 0.00 C ATOM 35 O ALA A 3 -29.854 6.944 -7.486 1.00 0.00 O ATOM 36 CB ALA A 3 -26.216 6.691 -7.623 1.00 0.00 C ATOM 0 H ALA A 3 -27.667 8.607 -9.100 1.00 0.00 H new ATOM 0 HA ALA A 3 -27.817 5.684 -8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -26.194 5.982 -6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -25.468 6.408 -8.363 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -25.997 7.692 -7.250 1.00 0.00 H new ATOM 42 N GLU A 4 -28.187 7.420 -6.036 1.00 0.00 N ATOM 43 CA GLU A 4 -29.068 7.789 -4.929 1.00 0.00 C ATOM 44 C GLU A 4 -30.534 7.571 -5.279 1.00 0.00 C ATOM 45 O GLU A 4 -31.119 6.542 -4.939 1.00 0.00 O ATOM 46 CB GLU A 4 -28.826 9.252 -4.551 1.00 0.00 C ATOM 47 CG GLU A 4 -27.482 9.709 -5.121 1.00 0.00 C ATOM 48 CD GLU A 4 -27.003 10.960 -4.390 1.00 0.00 C ATOM 49 OE1 GLU A 4 -27.608 12.001 -4.581 1.00 0.00 O ATOM 50 OE2 GLU A 4 -26.038 10.856 -3.650 1.00 0.00 O ATOM 0 H GLU A 4 -27.193 7.490 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 4 -28.836 7.146 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -29.630 9.877 -4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -28.831 9.364 -3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -26.745 8.913 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -27.581 9.916 -6.187 1.00 0.00 H new ATOM 57 N LEU A 5 -31.119 8.541 -5.955 1.00 0.00 N ATOM 58 CA LEU A 5 -32.519 8.450 -6.350 1.00 0.00 C ATOM 59 C LEU A 5 -32.748 7.227 -7.230 1.00 0.00 C ATOM 60 O LEU A 5 -32.610 6.089 -6.780 1.00 0.00 O ATOM 61 CB LEU A 5 -32.937 9.712 -7.107 1.00 0.00 C ATOM 62 CG LEU A 5 -31.805 10.144 -8.042 1.00 0.00 C ATOM 63 CD1 LEU A 5 -32.386 10.949 -9.207 1.00 0.00 C ATOM 64 CD2 LEU A 5 -30.802 11.010 -7.273 1.00 0.00 C ATOM 0 H LEU A 5 -30.652 9.401 -6.243 1.00 0.00 H new ATOM 0 HA LEU A 5 -33.124 8.354 -5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -33.844 9.521 -7.681 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -33.167 10.512 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 5 -31.297 9.260 -8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -31.581 11.257 -9.874 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -33.096 10.332 -9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -32.895 11.832 -8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -29.997 11.316 -7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -31.307 11.894 -6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -30.387 10.437 -6.444 1.00 0.00 H new ATOM 76 N GLN A 6 -33.097 7.470 -8.487 1.00 0.00 N ATOM 77 CA GLN A 6 -33.343 6.384 -9.427 1.00 0.00 C ATOM 78 C GLN A 6 -32.123 6.156 -10.311 1.00 0.00 C ATOM 79 O GLN A 6 -31.060 6.736 -10.085 1.00 0.00 O ATOM 80 CB GLN A 6 -34.551 6.721 -10.307 1.00 0.00 C ATOM 81 CG GLN A 6 -35.769 5.908 -9.858 1.00 0.00 C ATOM 82 CD GLN A 6 -37.049 6.680 -10.159 1.00 0.00 C ATOM 83 OE1 GLN A 6 -37.750 6.370 -11.122 1.00 0.00 O ATOM 84 NE2 GLN A 6 -37.396 7.673 -9.387 1.00 0.00 N ATOM 0 H GLN A 6 -33.216 8.405 -8.878 1.00 0.00 H new ATOM 0 HA GLN A 6 -33.545 5.475 -8.859 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -34.771 7.787 -10.244 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -34.323 6.504 -11.351 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -35.785 4.947 -10.372 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -35.703 5.698 -8.790 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -36.813 7.927 -8.590 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -38.251 8.195 -9.581 1.00 0.00 H new ATOM 93 N GLN A 7 -32.288 5.312 -11.321 1.00 0.00 N ATOM 94 CA GLN A 7 -31.200 5.012 -12.244 1.00 0.00 C ATOM 95 C GLN A 7 -31.633 5.306 -13.674 1.00 0.00 C ATOM 96 O GLN A 7 -31.841 6.462 -14.043 1.00 0.00 O ATOM 97 CB GLN A 7 -30.789 3.545 -12.110 1.00 0.00 C ATOM 98 CG GLN A 7 -30.289 3.284 -10.689 1.00 0.00 C ATOM 99 CD GLN A 7 -29.271 2.151 -10.693 1.00 0.00 C ATOM 100 OE1 GLN A 7 -28.199 2.281 -11.288 1.00 0.00 O ATOM 101 NE2 GLN A 7 -29.540 1.040 -10.064 1.00 0.00 N ATOM 0 H GLN A 7 -33.161 4.824 -11.522 1.00 0.00 H new ATOM 0 HA GLN A 7 -30.344 5.641 -11.999 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -31.636 2.897 -12.334 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -30.007 3.308 -12.831 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -29.837 4.188 -10.282 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -31.127 3.028 -10.041 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -30.427 0.934 -9.572 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -28.863 0.277 -10.064 1.00 0.00 H new ATOM 110 N ASP A 8 -31.776 4.257 -14.474 1.00 0.00 N ATOM 111 CA ASP A 8 -32.195 4.421 -15.860 1.00 0.00 C ATOM 112 C ASP A 8 -33.691 4.689 -15.926 1.00 0.00 C ATOM 113 O ASP A 8 -34.198 5.246 -16.900 1.00 0.00 O ATOM 114 CB ASP A 8 -31.871 3.158 -16.658 1.00 0.00 C ATOM 115 CG ASP A 8 -30.366 3.055 -16.885 1.00 0.00 C ATOM 116 OD1 ASP A 8 -29.697 2.483 -16.040 1.00 0.00 O ATOM 117 OD2 ASP A 8 -29.906 3.550 -17.901 1.00 0.00 O ATOM 0 H ASP A 8 -31.610 3.291 -14.190 1.00 0.00 H new ATOM 0 HA ASP A 8 -31.658 5.267 -16.288 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -32.227 2.278 -16.122 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -32.391 3.180 -17.616 1.00 0.00 H new ATOM 122 N ASP A 9 -34.382 4.284 -14.875 1.00 0.00 N ATOM 123 CA ASP A 9 -35.826 4.471 -14.792 1.00 0.00 C ATOM 124 C ASP A 9 -36.231 5.819 -15.369 1.00 0.00 C ATOM 125 O ASP A 9 -36.754 5.906 -16.479 1.00 0.00 O ATOM 126 CB ASP A 9 -36.279 4.383 -13.334 1.00 0.00 C ATOM 127 CG ASP A 9 -36.482 2.924 -12.937 1.00 0.00 C ATOM 128 OD1 ASP A 9 -35.581 2.136 -13.174 1.00 0.00 O ATOM 129 OD2 ASP A 9 -37.534 2.618 -12.404 1.00 0.00 O ATOM 0 H ASP A 9 -33.969 3.823 -14.065 1.00 0.00 H new ATOM 0 HA ASP A 9 -36.307 3.684 -15.373 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -35.535 4.845 -12.685 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -37.208 4.938 -13.199 1.00 0.00 H new ATOM 134 N ALA A 10 -35.986 6.861 -14.596 1.00 0.00 N ATOM 135 CA ALA A 10 -36.326 8.218 -15.013 1.00 0.00 C ATOM 136 C ALA A 10 -35.301 9.217 -14.484 1.00 0.00 C ATOM 137 O ALA A 10 -34.339 8.840 -13.816 1.00 0.00 O ATOM 138 CB ALA A 10 -37.716 8.588 -14.494 1.00 0.00 C ATOM 0 H ALA A 10 -35.553 6.798 -13.675 1.00 0.00 H new ATOM 0 HA ALA A 10 -36.321 8.255 -16.102 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -37.964 9.602 -14.809 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -38.452 7.893 -14.898 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -37.724 8.534 -13.405 1.00 0.00 H new ATOM 144 N ALA A 11 -35.517 10.495 -14.784 1.00 0.00 N ATOM 145 CA ALA A 11 -34.607 11.541 -14.329 1.00 0.00 C ATOM 146 C ALA A 11 -35.380 12.814 -14.001 1.00 0.00 C ATOM 147 O ALA A 11 -36.520 12.987 -14.430 1.00 0.00 O ATOM 148 CB ALA A 11 -33.568 11.836 -15.411 1.00 0.00 C ATOM 0 H ALA A 11 -36.307 10.829 -15.335 1.00 0.00 H new ATOM 0 HA ALA A 11 -34.102 11.193 -13.428 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -32.893 12.618 -15.063 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -32.998 10.932 -15.624 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -34.072 12.169 -16.318 1.00 0.00 H new ATOM 154 N GLY A 12 -34.752 13.705 -13.239 1.00 0.00 N ATOM 155 CA GLY A 12 -35.395 14.959 -12.864 1.00 0.00 C ATOM 156 C GLY A 12 -34.787 15.526 -11.585 1.00 0.00 C ATOM 157 O GLY A 12 -33.566 15.603 -11.448 1.00 0.00 O ATOM 0 H GLY A 12 -33.808 13.584 -12.872 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -35.289 15.682 -13.673 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -36.463 14.795 -12.721 1.00 0.00 H new ATOM 161 N ALA A 13 -35.646 15.922 -10.651 1.00 0.00 N ATOM 162 CA ALA A 13 -35.186 16.482 -9.386 1.00 0.00 C ATOM 163 C ALA A 13 -33.827 17.155 -9.559 1.00 0.00 C ATOM 164 O ALA A 13 -33.540 17.731 -10.608 1.00 0.00 O ATOM 165 CB ALA A 13 -35.082 15.378 -8.331 1.00 0.00 C ATOM 0 H ALA A 13 -36.660 15.866 -10.746 1.00 0.00 H new ATOM 0 HA ALA A 13 -35.909 17.229 -9.058 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -34.738 15.806 -7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -36.061 14.921 -8.185 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -34.374 14.620 -8.666 1.00 0.00 H new ATOM 171 N ALA A 14 -32.996 17.078 -8.525 1.00 0.00 N ATOM 172 CA ALA A 14 -31.671 17.685 -8.577 1.00 0.00 C ATOM 173 C ALA A 14 -30.618 16.646 -8.951 1.00 0.00 C ATOM 174 O ALA A 14 -30.939 15.484 -9.197 1.00 0.00 O ATOM 175 CB ALA A 14 -31.324 18.301 -7.220 1.00 0.00 C ATOM 0 H ALA A 14 -33.214 16.605 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 14 -31.680 18.465 -9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -30.333 18.752 -7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -32.059 19.066 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -31.333 17.525 -6.455 1.00 0.00 H new ATOM 181 N ASP A 15 -29.362 17.075 -8.992 1.00 0.00 N ATOM 182 CA ASP A 15 -28.268 16.173 -9.338 1.00 0.00 C ATOM 183 C ASP A 15 -27.280 16.065 -8.182 1.00 0.00 C ATOM 184 O ASP A 15 -27.121 15.000 -7.585 1.00 0.00 O ATOM 185 CB ASP A 15 -27.545 16.683 -10.585 1.00 0.00 C ATOM 186 CG ASP A 15 -26.788 15.540 -11.254 1.00 0.00 C ATOM 187 OD1 ASP A 15 -25.635 15.337 -10.909 1.00 0.00 O ATOM 188 OD2 ASP A 15 -27.372 14.886 -12.102 1.00 0.00 O ATOM 0 H ASP A 15 -29.076 18.034 -8.792 1.00 0.00 H new ATOM 0 HA ASP A 15 -28.684 15.186 -9.539 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -28.265 17.111 -11.283 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -26.852 17.479 -10.313 1.00 0.00 H new ATOM 193 N GLY A 16 -26.616 17.174 -7.871 1.00 0.00 N ATOM 194 CA GLY A 16 -25.644 17.192 -6.785 1.00 0.00 C ATOM 195 C GLY A 16 -26.322 16.944 -5.441 1.00 0.00 C ATOM 196 O GLY A 16 -26.285 15.833 -4.911 1.00 0.00 O ATOM 0 H GLY A 16 -26.732 18.066 -8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -24.884 16.430 -6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -25.132 18.154 -6.766 1.00 0.00 H new ATOM 200 N HIS A 17 -26.941 17.987 -4.896 1.00 0.00 N ATOM 201 CA HIS A 17 -27.624 17.874 -3.613 1.00 0.00 C ATOM 202 C HIS A 17 -26.650 17.443 -2.521 1.00 0.00 C ATOM 203 O HIS A 17 -26.863 16.434 -1.849 1.00 0.00 O ATOM 204 CB HIS A 17 -28.762 16.856 -3.715 1.00 0.00 C ATOM 205 CG HIS A 17 -29.683 17.011 -2.536 1.00 0.00 C ATOM 206 ND1 HIS A 17 -30.911 16.371 -2.466 1.00 0.00 N ATOM 207 CD2 HIS A 17 -29.571 17.732 -1.373 1.00 0.00 C ATOM 208 CE1 HIS A 17 -31.483 16.715 -1.298 1.00 0.00 C ATOM 209 NE2 HIS A 17 -30.709 17.544 -0.593 1.00 0.00 N ATOM 0 H HIS A 17 -26.983 18.914 -5.320 1.00 0.00 H new ATOM 0 HA HIS A 17 -28.032 18.851 -3.354 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -29.314 17.004 -4.643 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -28.357 15.844 -3.743 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -28.728 18.351 -1.104 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -32.450 16.364 -0.970 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -30.909 17.952 0.320 1.00 0.00 H new ATOM 217 N GLY A 18 -25.582 18.215 -2.350 1.00 0.00 N ATOM 218 CA GLY A 18 -24.581 17.903 -1.336 1.00 0.00 C ATOM 219 C GLY A 18 -23.708 16.730 -1.771 1.00 0.00 C ATOM 220 O GLY A 18 -22.616 16.528 -1.241 1.00 0.00 O ATOM 0 H GLY A 18 -25.388 19.055 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -23.957 18.778 -1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -25.075 17.664 -0.394 1.00 0.00 H new ATOM 224 N SER A 19 -24.197 15.962 -2.739 1.00 0.00 N ATOM 225 CA SER A 19 -23.452 14.812 -3.239 1.00 0.00 C ATOM 226 C SER A 19 -22.788 14.057 -2.089 1.00 0.00 C ATOM 227 O SER A 19 -23.337 13.970 -0.991 1.00 0.00 O ATOM 228 CB SER A 19 -22.385 15.271 -4.234 1.00 0.00 C ATOM 229 OG SER A 19 -21.177 15.543 -3.534 1.00 0.00 O ATOM 0 H SER A 19 -25.099 16.113 -3.190 1.00 0.00 H new ATOM 0 HA SER A 19 -24.152 14.143 -3.740 1.00 0.00 H new ATOM 0 HB2 SER A 19 -22.217 14.501 -4.987 1.00 0.00 H new ATOM 0 HB3 SER A 19 -22.722 16.163 -4.761 1.00 0.00 H new ATOM 0 HG SER A 19 -21.378 16.047 -2.718 1.00 0.00 H new ATOM 235 N SER A 20 -21.603 13.514 -2.350 1.00 0.00 N ATOM 236 CA SER A 20 -20.872 12.765 -1.332 1.00 0.00 C ATOM 237 C SER A 20 -20.069 13.710 -0.442 1.00 0.00 C ATOM 238 O SER A 20 -20.231 14.930 -0.511 1.00 0.00 O ATOM 239 CB SER A 20 -19.925 11.770 -2.001 1.00 0.00 C ATOM 240 OG SER A 20 -20.307 11.600 -3.359 1.00 0.00 O ATOM 0 H SER A 20 -21.130 13.577 -3.252 1.00 0.00 H new ATOM 0 HA SER A 20 -21.593 12.228 -0.715 1.00 0.00 H new ATOM 0 HB2 SER A 20 -18.898 12.131 -1.942 1.00 0.00 H new ATOM 0 HB3 SER A 20 -19.956 10.813 -1.480 1.00 0.00 H new ATOM 0 HG SER A 20 -19.826 12.246 -3.917 1.00 0.00 H new ATOM 246 N CYS A 21 -19.204 13.139 0.392 1.00 0.00 N ATOM 247 CA CYS A 21 -18.381 13.943 1.288 1.00 0.00 C ATOM 248 C CYS A 21 -17.104 14.385 0.582 1.00 0.00 C ATOM 249 O CYS A 21 -16.157 13.611 0.445 1.00 0.00 O ATOM 250 CB CYS A 21 -18.025 13.135 2.536 1.00 0.00 C ATOM 251 SG CYS A 21 -19.288 13.397 3.806 1.00 0.00 S ATOM 0 H CYS A 21 -19.056 12.132 0.466 1.00 0.00 H new ATOM 0 HA CYS A 21 -18.947 14.827 1.580 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.957 12.076 2.289 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.048 13.438 2.912 1.00 0.00 H new ATOM 0 HG CYS A 21 -18.987 12.708 4.866 1.00 0.00 H new ATOM 257 N GLN A 22 -17.088 15.635 0.132 1.00 0.00 N ATOM 258 CA GLN A 22 -15.926 16.175 -0.564 1.00 0.00 C ATOM 259 C GLN A 22 -14.859 16.638 0.426 1.00 0.00 C ATOM 260 O GLN A 22 -13.724 16.911 0.042 1.00 0.00 O ATOM 261 CB GLN A 22 -16.353 17.353 -1.441 1.00 0.00 C ATOM 262 CG GLN A 22 -15.343 17.540 -2.576 1.00 0.00 C ATOM 263 CD GLN A 22 -15.060 19.023 -2.782 1.00 0.00 C ATOM 264 OE1 GLN A 22 -15.961 19.853 -2.651 1.00 0.00 O ATOM 265 NE2 GLN A 22 -13.855 19.411 -3.098 1.00 0.00 N ATOM 0 H GLN A 22 -17.863 16.291 0.236 1.00 0.00 H new ATOM 0 HA GLN A 22 -15.502 15.385 -1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -17.347 17.173 -1.851 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.415 18.262 -0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.418 17.014 -2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.733 17.104 -3.496 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.110 18.723 -3.206 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.658 20.402 -3.237 1.00 0.00 H new ATOM 274 N MET A 23 -15.233 16.735 1.698 1.00 0.00 N ATOM 275 CA MET A 23 -14.295 17.180 2.724 1.00 0.00 C ATOM 276 C MET A 23 -13.132 16.214 2.869 1.00 0.00 C ATOM 277 O MET A 23 -11.969 16.614 2.884 1.00 0.00 O ATOM 278 CB MET A 23 -15.012 17.310 4.070 1.00 0.00 C ATOM 279 CG MET A 23 -16.453 17.769 3.843 1.00 0.00 C ATOM 280 SD MET A 23 -17.077 18.543 5.356 1.00 0.00 S ATOM 281 CE MET A 23 -18.770 18.833 4.784 1.00 0.00 C ATOM 0 H MET A 23 -16.168 16.514 2.041 1.00 0.00 H new ATOM 0 HA MET A 23 -13.904 18.150 2.416 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.003 16.353 4.592 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.488 18.025 4.705 1.00 0.00 H new ATOM 0 HG2 MET A 23 -16.496 18.476 3.014 1.00 0.00 H new ATOM 0 HG3 MET A 23 -17.079 16.920 3.570 1.00 0.00 H new ATOM 0 HE1 MET A 23 -19.344 19.313 5.576 1.00 0.00 H new ATOM 0 HE2 MET A 23 -18.752 19.479 3.906 1.00 0.00 H new ATOM 0 HE3 MET A 23 -19.234 17.882 4.525 1.00 0.00 H new ATOM 291 N LEU A 24 -13.464 14.947 2.989 1.00 0.00 N ATOM 292 CA LEU A 24 -12.456 13.907 3.152 1.00 0.00 C ATOM 293 C LEU A 24 -11.475 13.903 1.990 1.00 0.00 C ATOM 294 O LEU A 24 -10.276 14.107 2.169 1.00 0.00 O ATOM 295 CB LEU A 24 -13.130 12.537 3.262 1.00 0.00 C ATOM 296 CG LEU A 24 -13.562 12.291 4.709 1.00 0.00 C ATOM 297 CD1 LEU A 24 -12.331 12.261 5.619 1.00 0.00 C ATOM 298 CD2 LEU A 24 -14.497 13.416 5.157 1.00 0.00 C ATOM 0 H LEU A 24 -14.425 14.606 2.977 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.902 14.116 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.996 12.492 2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.442 11.755 2.940 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.081 11.334 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.644 12.086 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.663 11.460 5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.809 13.216 5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.806 13.243 6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.976 14.371 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -15.376 13.437 4.513 1.00 0.00 H new ATOM 310 N LEU A 25 -11.992 13.664 0.804 1.00 0.00 N ATOM 311 CA LEU A 25 -11.150 13.625 -0.388 1.00 0.00 C ATOM 312 C LEU A 25 -10.423 14.953 -0.570 1.00 0.00 C ATOM 313 O LEU A 25 -9.212 14.983 -0.784 1.00 0.00 O ATOM 314 CB LEU A 25 -11.990 13.325 -1.636 1.00 0.00 C ATOM 315 CG LEU A 25 -13.480 13.302 -1.276 1.00 0.00 C ATOM 316 CD1 LEU A 25 -14.309 13.456 -2.550 1.00 0.00 C ATOM 317 CD2 LEU A 25 -13.835 11.973 -0.599 1.00 0.00 C ATOM 0 H LEU A 25 -12.983 13.494 0.632 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.416 12.830 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.804 14.081 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.696 12.365 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.696 14.122 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.369 13.440 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.064 14.403 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -14.085 12.635 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.895 11.965 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.618 11.149 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.245 11.859 0.310 1.00 0.00 H new ATOM 329 N ASN A 26 -11.167 16.051 -0.487 1.00 0.00 N ATOM 330 CA ASN A 26 -10.573 17.372 -0.648 1.00 0.00 C ATOM 331 C ASN A 26 -9.399 17.544 0.301 1.00 0.00 C ATOM 332 O ASN A 26 -8.282 17.853 -0.115 1.00 0.00 O ATOM 333 CB ASN A 26 -11.616 18.460 -0.383 1.00 0.00 C ATOM 334 CG ASN A 26 -10.998 19.839 -0.603 1.00 0.00 C ATOM 335 OD1 ASN A 26 -11.297 20.778 0.133 1.00 0.00 O ATOM 336 ND2 ASN A 26 -10.148 20.015 -1.579 1.00 0.00 N ATOM 0 H ASN A 26 -12.172 16.053 -0.311 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.216 17.465 -1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.471 18.325 -1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -11.988 18.378 0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.730 20.933 -1.732 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.902 19.235 -2.188 1.00 0.00 H new ATOM 343 N GLN A 27 -9.666 17.335 1.576 1.00 0.00 N ATOM 344 CA GLN A 27 -8.631 17.458 2.597 1.00 0.00 C ATOM 345 C GLN A 27 -7.465 16.531 2.277 1.00 0.00 C ATOM 346 O GLN A 27 -6.323 16.973 2.158 1.00 0.00 O ATOM 347 CB GLN A 27 -9.196 17.105 3.977 1.00 0.00 C ATOM 348 CG GLN A 27 -9.901 18.320 4.586 1.00 0.00 C ATOM 349 CD GLN A 27 -9.922 18.198 6.106 1.00 0.00 C ATOM 350 OE1 GLN A 27 -9.035 18.718 6.784 1.00 0.00 O ATOM 351 NE2 GLN A 27 -10.888 17.539 6.686 1.00 0.00 N ATOM 0 H GLN A 27 -10.587 17.080 1.934 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.281 18.490 2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.897 16.275 3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.391 16.775 4.634 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.387 19.235 4.293 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.919 18.390 4.204 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.622 17.109 6.123 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.909 17.454 7.702 1.00 0.00 H new ATOM 360 N LEU A 28 -7.760 15.243 2.139 1.00 0.00 N ATOM 361 CA LEU A 28 -6.724 14.267 1.836 1.00 0.00 C ATOM 362 C LEU A 28 -5.846 14.752 0.687 1.00 0.00 C ATOM 363 O LEU A 28 -4.626 14.840 0.818 1.00 0.00 O ATOM 364 CB LEU A 28 -7.352 12.930 1.452 1.00 0.00 C ATOM 365 CG LEU A 28 -6.245 11.890 1.299 1.00 0.00 C ATOM 366 CD1 LEU A 28 -5.550 11.692 2.644 1.00 0.00 C ATOM 367 CD2 LEU A 28 -6.846 10.564 0.842 1.00 0.00 C ATOM 0 H LEU A 28 -8.699 14.855 2.231 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.111 14.141 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.063 12.614 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.908 13.029 0.520 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.524 12.235 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.759 10.950 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.119 12.637 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.275 11.347 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.054 9.823 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.568 10.217 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.347 10.702 -0.116 1.00 0.00 H new ATOM 379 N ARG A 29 -6.481 15.055 -0.440 1.00 0.00 N ATOM 380 CA ARG A 29 -5.755 15.520 -1.615 1.00 0.00 C ATOM 381 C ARG A 29 -5.037 16.836 -1.326 1.00 0.00 C ATOM 382 O ARG A 29 -4.028 17.149 -1.950 1.00 0.00 O ATOM 383 CB ARG A 29 -6.725 15.674 -2.800 1.00 0.00 C ATOM 384 CG ARG A 29 -7.184 17.129 -2.957 1.00 0.00 C ATOM 385 CD ARG A 29 -6.254 17.846 -3.939 1.00 0.00 C ATOM 386 NE ARG A 29 -6.386 19.292 -3.804 1.00 0.00 N ATOM 387 CZ ARG A 29 -6.331 20.092 -4.867 1.00 0.00 C ATOM 388 NH1 ARG A 29 -6.165 19.589 -6.061 1.00 0.00 N ATOM 389 NH2 ARG A 29 -6.445 21.383 -4.716 1.00 0.00 N ATOM 0 H ARG A 29 -7.491 14.987 -0.564 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.998 14.780 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.238 15.343 -3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.592 15.031 -2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.211 17.162 -3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.171 17.633 -1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.221 17.550 -3.753 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.493 17.547 -4.960 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.523 19.698 -2.878 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.077 18.580 -6.182 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.123 20.205 -6.873 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.576 21.778 -3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.403 21.997 -5.529 1.00 0.00 H new ATOM 403 N GLU A 30 -5.559 17.596 -0.370 1.00 0.00 N ATOM 404 CA GLU A 30 -4.949 18.872 -0.008 1.00 0.00 C ATOM 405 C GLU A 30 -3.702 18.643 0.838 1.00 0.00 C ATOM 406 O GLU A 30 -2.778 19.456 0.839 1.00 0.00 O ATOM 407 CB GLU A 30 -5.949 19.730 0.769 1.00 0.00 C ATOM 408 CG GLU A 30 -6.601 20.738 -0.179 1.00 0.00 C ATOM 409 CD GLU A 30 -7.455 21.726 0.608 1.00 0.00 C ATOM 410 OE1 GLU A 30 -7.691 21.474 1.779 1.00 0.00 O ATOM 411 OE2 GLU A 30 -7.864 22.719 0.029 1.00 0.00 O ATOM 0 H GLU A 30 -6.394 17.355 0.164 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.665 19.392 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.711 19.097 1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.443 20.253 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.832 21.274 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.218 20.215 -0.910 1.00 0.00 H new ATOM 418 N ILE A 31 -3.685 17.523 1.552 1.00 0.00 N ATOM 419 CA ILE A 31 -2.553 17.176 2.402 1.00 0.00 C ATOM 420 C ILE A 31 -1.482 16.473 1.601 1.00 0.00 C ATOM 421 O ILE A 31 -0.286 16.727 1.753 1.00 0.00 O ATOM 422 CB ILE A 31 -3.017 16.240 3.514 1.00 0.00 C ATOM 423 CG1 ILE A 31 -4.107 16.932 4.322 1.00 0.00 C ATOM 424 CG2 ILE A 31 -1.835 15.893 4.418 1.00 0.00 C ATOM 425 CD1 ILE A 31 -4.903 15.899 5.119 1.00 0.00 C ATOM 0 H ILE A 31 -4.443 16.840 1.559 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.146 18.096 2.823 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.413 15.320 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.662 17.661 4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.772 17.481 3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.168 15.224 5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.060 15.401 3.831 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.433 16.806 4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.680 16.403 5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.363 15.186 4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.235 15.370 5.798 1.00 0.00 H new ATOM 437 N THR A 32 -1.937 15.566 0.771 1.00 0.00 N ATOM 438 CA THR A 32 -1.053 14.770 -0.055 1.00 0.00 C ATOM 439 C THR A 32 -0.802 15.434 -1.405 1.00 0.00 C ATOM 440 O THR A 32 0.290 15.323 -1.964 1.00 0.00 O ATOM 441 CB THR A 32 -1.694 13.407 -0.270 1.00 0.00 C ATOM 442 OG1 THR A 32 -2.697 13.528 -1.266 1.00 0.00 O ATOM 443 CG2 THR A 32 -2.337 12.933 1.032 1.00 0.00 C ATOM 0 H THR A 32 -2.928 15.357 0.647 1.00 0.00 H new ATOM 0 HA THR A 32 -0.092 14.671 0.450 1.00 0.00 H new ATOM 0 HB THR A 32 -0.937 12.688 -0.583 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.529 13.122 -0.944 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.796 11.957 0.877 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.575 12.857 1.807 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.100 13.647 1.342 1.00 0.00 H new ATOM 451 N GLY A 33 -1.814 16.112 -1.933 1.00 0.00 N ATOM 452 CA GLY A 33 -1.671 16.772 -3.230 1.00 0.00 C ATOM 453 C GLY A 33 -1.873 15.774 -4.363 1.00 0.00 C ATOM 454 O GLY A 33 -1.214 15.854 -5.399 1.00 0.00 O ATOM 0 H GLY A 33 -2.728 16.220 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.398 17.580 -3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.682 17.224 -3.308 1.00 0.00 H new ATOM 458 N ILE A 34 -2.776 14.825 -4.149 1.00 0.00 N ATOM 459 CA ILE A 34 -3.049 13.800 -5.148 1.00 0.00 C ATOM 460 C ILE A 34 -4.238 14.190 -6.021 1.00 0.00 C ATOM 461 O ILE A 34 -5.162 14.863 -5.566 1.00 0.00 O ATOM 462 CB ILE A 34 -3.336 12.467 -4.451 1.00 0.00 C ATOM 463 CG1 ILE A 34 -2.231 12.199 -3.412 1.00 0.00 C ATOM 464 CG2 ILE A 34 -3.405 11.346 -5.494 1.00 0.00 C ATOM 465 CD1 ILE A 34 -1.204 11.204 -3.938 1.00 0.00 C ATOM 0 H ILE A 34 -3.330 14.744 -3.296 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.172 13.700 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.296 12.506 -3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.735 13.135 -3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.677 11.814 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.609 10.398 -4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.201 11.561 -6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.454 11.281 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.438 11.037 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.697 10.260 -4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.741 11.602 -4.841 1.00 0.00 H new ATOM 477 N GLN A 35 -4.205 13.758 -7.276 1.00 0.00 N ATOM 478 CA GLN A 35 -5.283 14.058 -8.211 1.00 0.00 C ATOM 479 C GLN A 35 -5.949 12.769 -8.678 1.00 0.00 C ATOM 480 O GLN A 35 -6.558 12.724 -9.748 1.00 0.00 O ATOM 481 CB GLN A 35 -4.734 14.814 -9.423 1.00 0.00 C ATOM 482 CG GLN A 35 -4.723 16.316 -9.129 1.00 0.00 C ATOM 483 CD GLN A 35 -6.080 16.928 -9.464 1.00 0.00 C ATOM 484 OE1 GLN A 35 -7.026 16.208 -9.780 1.00 0.00 O ATOM 485 NE2 GLN A 35 -6.230 18.225 -9.414 1.00 0.00 N ATOM 0 H GLN A 35 -3.446 13.201 -7.669 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.020 14.679 -7.702 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.725 14.471 -9.652 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.347 14.609 -10.300 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.488 16.487 -8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.942 16.803 -9.713 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.444 18.820 -9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.133 18.643 -9.637 1.00 0.00 H new ATOM 494 N ASP A 36 -5.822 11.717 -7.873 1.00 0.00 N ATOM 495 CA ASP A 36 -6.406 10.428 -8.219 1.00 0.00 C ATOM 496 C ASP A 36 -7.423 9.999 -7.167 1.00 0.00 C ATOM 497 O ASP A 36 -7.168 9.087 -6.382 1.00 0.00 O ATOM 498 CB ASP A 36 -5.306 9.370 -8.325 1.00 0.00 C ATOM 499 CG ASP A 36 -4.644 9.443 -9.697 1.00 0.00 C ATOM 500 OD1 ASP A 36 -4.817 10.450 -10.363 1.00 0.00 O ATOM 501 OD2 ASP A 36 -3.974 8.490 -10.061 1.00 0.00 O ATOM 0 H ASP A 36 -5.323 11.733 -6.983 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.913 10.527 -9.179 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.562 9.527 -7.544 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.728 8.377 -8.168 1.00 0.00 H new ATOM 506 N PRO A 37 -8.564 10.633 -7.143 1.00 0.00 N ATOM 507 CA PRO A 37 -9.642 10.313 -6.172 1.00 0.00 C ATOM 508 C PRO A 37 -9.726 8.824 -5.884 1.00 0.00 C ATOM 509 O PRO A 37 -10.277 8.395 -4.871 1.00 0.00 O ATOM 510 CB PRO A 37 -10.888 10.791 -6.893 1.00 0.00 C ATOM 511 CG PRO A 37 -10.440 11.965 -7.702 1.00 0.00 C ATOM 512 CD PRO A 37 -8.963 11.731 -8.041 1.00 0.00 C ATOM 0 HA PRO A 37 -9.485 10.779 -5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.301 10.008 -7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.669 11.073 -6.187 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.035 12.058 -8.610 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.566 12.891 -7.142 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.832 11.459 -9.088 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.366 12.626 -7.867 1.00 0.00 H new ATOM 520 N SER A 38 -9.181 8.054 -6.802 1.00 0.00 N ATOM 521 CA SER A 38 -9.190 6.599 -6.687 1.00 0.00 C ATOM 522 C SER A 38 -8.222 6.120 -5.609 1.00 0.00 C ATOM 523 O SER A 38 -8.615 5.390 -4.694 1.00 0.00 O ATOM 524 CB SER A 38 -8.811 5.971 -8.027 1.00 0.00 C ATOM 525 OG SER A 38 -9.601 4.809 -8.241 1.00 0.00 O ATOM 0 H SER A 38 -8.723 8.407 -7.642 1.00 0.00 H new ATOM 0 HA SER A 38 -10.197 6.291 -6.404 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.969 6.686 -8.834 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.752 5.711 -8.034 1.00 0.00 H new ATOM 0 HG SER A 38 -9.362 4.404 -9.101 1.00 0.00 H new ATOM 531 N PHE A 39 -6.960 6.538 -5.697 1.00 0.00 N ATOM 532 CA PHE A 39 -5.991 6.129 -4.697 1.00 0.00 C ATOM 533 C PHE A 39 -6.314 6.851 -3.387 1.00 0.00 C ATOM 534 O PHE A 39 -6.068 6.332 -2.293 1.00 0.00 O ATOM 535 CB PHE A 39 -4.556 6.421 -5.192 1.00 0.00 C ATOM 536 CG PHE A 39 -3.829 7.285 -4.201 1.00 0.00 C ATOM 537 CD1 PHE A 39 -4.319 8.552 -3.938 1.00 0.00 C ATOM 538 CD2 PHE A 39 -2.692 6.817 -3.533 1.00 0.00 C ATOM 539 CE1 PHE A 39 -3.691 9.371 -3.007 1.00 0.00 C ATOM 540 CE2 PHE A 39 -2.048 7.639 -2.602 1.00 0.00 C ATOM 541 CZ PHE A 39 -2.552 8.922 -2.339 1.00 0.00 C ATOM 0 H PHE A 39 -6.597 7.144 -6.433 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.047 5.055 -4.522 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.016 5.485 -5.334 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.592 6.919 -6.161 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.195 8.907 -4.460 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.313 5.826 -3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.085 10.355 -2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.166 7.287 -2.087 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.059 9.560 -1.621 1.00 0.00 H new ATOM 551 N LEU A 40 -6.914 8.038 -3.513 1.00 0.00 N ATOM 552 CA LEU A 40 -7.310 8.804 -2.341 1.00 0.00 C ATOM 553 C LEU A 40 -8.337 7.991 -1.574 1.00 0.00 C ATOM 554 O LEU A 40 -8.199 7.750 -0.375 1.00 0.00 O ATOM 555 CB LEU A 40 -7.939 10.143 -2.742 1.00 0.00 C ATOM 556 CG LEU A 40 -6.860 11.114 -3.243 1.00 0.00 C ATOM 557 CD1 LEU A 40 -7.446 12.045 -4.304 1.00 0.00 C ATOM 558 CD2 LEU A 40 -6.318 11.949 -2.080 1.00 0.00 C ATOM 0 H LEU A 40 -7.132 8.480 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.428 9.008 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.683 9.983 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.460 10.577 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.047 10.534 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.674 12.730 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.814 11.454 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.269 12.615 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.554 12.633 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.131 12.520 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.883 11.289 -1.330 1.00 0.00 H new ATOM 570 N HIS A 41 -9.363 7.558 -2.301 1.00 0.00 N ATOM 571 CA HIS A 41 -10.421 6.749 -1.721 1.00 0.00 C ATOM 572 C HIS A 41 -9.834 5.467 -1.154 1.00 0.00 C ATOM 573 O HIS A 41 -10.299 4.958 -0.134 1.00 0.00 O ATOM 574 CB HIS A 41 -11.462 6.407 -2.788 1.00 0.00 C ATOM 575 CG HIS A 41 -12.446 7.537 -2.916 1.00 0.00 C ATOM 576 ND1 HIS A 41 -13.105 8.071 -1.819 1.00 0.00 N ATOM 577 CD2 HIS A 41 -12.896 8.242 -4.004 1.00 0.00 C ATOM 578 CE1 HIS A 41 -13.909 9.052 -2.268 1.00 0.00 C ATOM 579 NE2 HIS A 41 -13.820 9.198 -3.592 1.00 0.00 N ATOM 0 H HIS A 41 -9.481 7.756 -3.295 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.901 7.313 -0.921 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.971 6.229 -3.745 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.982 5.487 -2.521 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.581 8.080 -5.024 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.549 9.649 -1.634 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -14.322 9.867 -4.176 1.00 0.00 H new ATOM 587 N GLU A 42 -8.794 4.955 -1.811 1.00 0.00 N ATOM 588 CA GLU A 42 -8.149 3.743 -1.336 1.00 0.00 C ATOM 589 C GLU A 42 -7.701 3.956 0.097 1.00 0.00 C ATOM 590 O GLU A 42 -7.945 3.128 0.975 1.00 0.00 O ATOM 591 CB GLU A 42 -6.941 3.407 -2.210 1.00 0.00 C ATOM 592 CG GLU A 42 -6.425 2.016 -1.845 1.00 0.00 C ATOM 593 CD GLU A 42 -6.071 1.246 -3.112 1.00 0.00 C ATOM 594 OE1 GLU A 42 -6.938 1.109 -3.959 1.00 0.00 O ATOM 595 OE2 GLU A 42 -4.939 0.804 -3.216 1.00 0.00 O ATOM 0 H GLU A 42 -8.390 5.355 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.854 2.913 -1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.220 3.439 -3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.155 4.149 -2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.548 2.101 -1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.183 1.474 -1.279 1.00 0.00 H new ATOM 602 N ALA A 43 -7.048 5.088 0.323 1.00 0.00 N ATOM 603 CA ALA A 43 -6.573 5.425 1.654 1.00 0.00 C ATOM 604 C ALA A 43 -7.743 5.602 2.616 1.00 0.00 C ATOM 605 O ALA A 43 -7.791 4.969 3.667 1.00 0.00 O ATOM 606 CB ALA A 43 -5.754 6.710 1.601 1.00 0.00 C ATOM 0 H ALA A 43 -6.837 5.783 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.947 4.608 2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.401 6.958 2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.900 6.570 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.376 7.522 1.224 1.00 0.00 H new ATOM 612 N LEU A 44 -8.687 6.468 2.254 1.00 0.00 N ATOM 613 CA LEU A 44 -9.846 6.712 3.106 1.00 0.00 C ATOM 614 C LEU A 44 -10.441 5.391 3.582 1.00 0.00 C ATOM 615 O LEU A 44 -10.896 5.277 4.720 1.00 0.00 O ATOM 616 CB LEU A 44 -10.911 7.508 2.345 1.00 0.00 C ATOM 617 CG LEU A 44 -10.673 9.005 2.546 1.00 0.00 C ATOM 618 CD1 LEU A 44 -10.807 9.352 4.030 1.00 0.00 C ATOM 619 CD2 LEU A 44 -9.268 9.357 2.065 1.00 0.00 C ATOM 0 H LEU A 44 -8.673 7.006 1.387 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.519 7.290 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.874 7.263 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.905 7.237 2.700 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.410 9.572 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.637 10.419 4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.809 9.096 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.071 8.789 4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.092 10.423 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.535 8.789 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.173 9.110 1.008 1.00 0.00 H new ATOM 631 N LYS A 45 -10.433 4.397 2.701 1.00 0.00 N ATOM 632 CA LYS A 45 -10.971 3.084 3.035 1.00 0.00 C ATOM 633 C LYS A 45 -9.948 2.279 3.832 1.00 0.00 C ATOM 634 O LYS A 45 -10.312 1.424 4.639 1.00 0.00 O ATOM 635 CB LYS A 45 -11.364 2.353 1.740 1.00 0.00 C ATOM 636 CG LYS A 45 -11.053 0.849 1.829 1.00 0.00 C ATOM 637 CD LYS A 45 -9.603 0.587 1.391 1.00 0.00 C ATOM 638 CE LYS A 45 -9.444 -0.873 0.955 1.00 0.00 C ATOM 639 NZ LYS A 45 -9.097 -1.711 2.137 1.00 0.00 N ATOM 0 H LYS A 45 -10.062 4.475 1.754 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.859 3.199 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.427 2.496 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.827 2.788 0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.203 0.498 2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.740 0.289 1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.337 1.252 0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.921 0.806 2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.368 -1.231 0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.665 -0.954 0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.989 -2.702 1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.204 -1.374 2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.855 -1.642 2.846 1.00 0.00 H new ATOM 653 N ALA A 46 -8.669 2.558 3.603 1.00 0.00 N ATOM 654 CA ALA A 46 -7.606 1.849 4.308 1.00 0.00 C ATOM 655 C ALA A 46 -7.448 2.372 5.736 1.00 0.00 C ATOM 656 O ALA A 46 -6.906 1.682 6.602 1.00 0.00 O ATOM 657 CB ALA A 46 -6.285 2.013 3.554 1.00 0.00 C ATOM 0 H ALA A 46 -8.345 3.263 2.941 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.875 0.794 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.495 1.482 4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.386 1.603 2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.031 3.071 3.490 1.00 0.00 H new ATOM 663 N SER A 47 -7.915 3.593 5.976 1.00 0.00 N ATOM 664 CA SER A 47 -7.812 4.199 7.302 1.00 0.00 C ATOM 665 C SER A 47 -9.140 4.107 8.050 1.00 0.00 C ATOM 666 O SER A 47 -9.364 4.823 9.026 1.00 0.00 O ATOM 667 CB SER A 47 -7.400 5.665 7.171 1.00 0.00 C ATOM 668 OG SER A 47 -8.492 6.412 6.651 1.00 0.00 O ATOM 0 H SER A 47 -8.366 4.181 5.275 1.00 0.00 H new ATOM 0 HA SER A 47 -7.057 3.654 7.868 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.103 6.060 8.143 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.536 5.755 6.513 1.00 0.00 H new ATOM 0 HG SER A 47 -8.242 7.357 6.589 1.00 0.00 H new ATOM 674 N ASN A 48 -10.015 3.220 7.587 1.00 0.00 N ATOM 675 CA ASN A 48 -11.321 3.038 8.216 1.00 0.00 C ATOM 676 C ASN A 48 -12.019 4.379 8.435 1.00 0.00 C ATOM 677 O ASN A 48 -12.778 4.543 9.390 1.00 0.00 O ATOM 678 CB ASN A 48 -11.173 2.311 9.556 1.00 0.00 C ATOM 679 CG ASN A 48 -9.839 2.659 10.206 1.00 0.00 C ATOM 680 OD1 ASN A 48 -9.786 3.496 11.109 1.00 0.00 O ATOM 681 ND2 ASN A 48 -8.752 2.062 9.801 1.00 0.00 N ATOM 0 H ASN A 48 -9.846 2.617 6.782 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.931 2.434 7.544 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.992 2.589 10.220 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.239 1.234 9.402 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.855 2.288 10.232 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.799 1.370 9.053 1.00 0.00 H new ATOM 688 N GLY A 49 -11.770 5.327 7.539 1.00 0.00 N ATOM 689 CA GLY A 49 -12.396 6.643 7.637 1.00 0.00 C ATOM 690 C GLY A 49 -11.431 7.685 8.199 1.00 0.00 C ATOM 691 O GLY A 49 -11.587 8.881 7.951 1.00 0.00 O ATOM 0 H GLY A 49 -11.144 5.212 6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.738 6.958 6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.277 6.581 8.276 1.00 0.00 H new ATOM 695 N ASP A 50 -10.436 7.229 8.950 1.00 0.00 N ATOM 696 CA ASP A 50 -9.459 8.143 9.533 1.00 0.00 C ATOM 697 C ASP A 50 -8.637 8.814 8.435 1.00 0.00 C ATOM 698 O ASP A 50 -7.699 8.222 7.901 1.00 0.00 O ATOM 699 CB ASP A 50 -8.533 7.380 10.483 1.00 0.00 C ATOM 700 CG ASP A 50 -9.274 7.040 11.772 1.00 0.00 C ATOM 701 OD1 ASP A 50 -10.487 7.176 11.788 1.00 0.00 O ATOM 702 OD2 ASP A 50 -8.619 6.647 12.723 1.00 0.00 O ATOM 0 H ASP A 50 -10.284 6.244 9.168 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.991 8.913 10.092 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.180 6.466 10.005 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.653 7.982 10.708 1.00 0.00 H new ATOM 707 N ILE A 51 -9.002 10.048 8.097 1.00 0.00 N ATOM 708 CA ILE A 51 -8.296 10.785 7.053 1.00 0.00 C ATOM 709 C ILE A 51 -6.810 10.913 7.387 1.00 0.00 C ATOM 710 O ILE A 51 -5.956 10.496 6.605 1.00 0.00 O ATOM 711 CB ILE A 51 -8.928 12.170 6.866 1.00 0.00 C ATOM 712 CG1 ILE A 51 -8.495 12.752 5.520 1.00 0.00 C ATOM 713 CG2 ILE A 51 -8.488 13.113 7.987 1.00 0.00 C ATOM 714 CD1 ILE A 51 -9.303 14.020 5.235 1.00 0.00 C ATOM 0 H ILE A 51 -9.776 10.555 8.527 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.384 10.230 6.119 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.013 12.066 6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.430 12.982 5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.652 12.021 4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.945 14.092 7.840 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.802 12.707 8.948 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.403 13.214 7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.997 14.438 4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.365 13.775 5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.123 14.751 6.023 1.00 0.00 H new ATOM 726 N THR A 52 -6.502 11.483 8.549 1.00 0.00 N ATOM 727 CA THR A 52 -5.114 11.643 8.956 1.00 0.00 C ATOM 728 C THR A 52 -4.334 10.372 8.661 1.00 0.00 C ATOM 729 O THR A 52 -3.371 10.382 7.893 1.00 0.00 O ATOM 730 CB THR A 52 -5.022 11.948 10.448 1.00 0.00 C ATOM 731 OG1 THR A 52 -5.615 13.213 10.714 1.00 0.00 O ATOM 732 CG2 THR A 52 -3.550 11.972 10.853 1.00 0.00 C ATOM 0 H THR A 52 -7.187 11.837 9.216 1.00 0.00 H new ATOM 0 HA THR A 52 -4.690 12.475 8.394 1.00 0.00 H new ATOM 0 HB THR A 52 -5.550 11.183 11.018 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.557 13.407 11.673 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.469 12.189 11.918 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.100 11.001 10.645 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.029 12.743 10.285 1.00 0.00 H new ATOM 740 N GLN A 53 -4.761 9.273 9.269 1.00 0.00 N ATOM 741 CA GLN A 53 -4.095 8.001 9.052 1.00 0.00 C ATOM 742 C GLN A 53 -3.939 7.754 7.560 1.00 0.00 C ATOM 743 O GLN A 53 -2.825 7.603 7.064 1.00 0.00 O ATOM 744 CB GLN A 53 -4.908 6.868 9.671 1.00 0.00 C ATOM 745 CG GLN A 53 -4.467 6.648 11.119 1.00 0.00 C ATOM 746 CD GLN A 53 -5.394 5.649 11.802 1.00 0.00 C ATOM 747 OE1 GLN A 53 -5.317 4.448 11.538 1.00 0.00 O ATOM 748 NE2 GLN A 53 -6.272 6.074 12.668 1.00 0.00 N ATOM 0 H GLN A 53 -5.555 9.238 9.908 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.113 8.033 9.523 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.970 7.109 9.637 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.770 5.952 9.096 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.441 6.280 11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.479 7.595 11.659 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.334 7.069 12.885 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.896 5.412 13.128 1.00 0.00 H new ATOM 757 N ALA A 54 -5.064 7.744 6.848 1.00 0.00 N ATOM 758 CA ALA A 54 -5.036 7.527 5.411 1.00 0.00 C ATOM 759 C ALA A 54 -3.838 8.240 4.835 1.00 0.00 C ATOM 760 O ALA A 54 -2.955 7.624 4.243 1.00 0.00 O ATOM 761 CB ALA A 54 -6.319 8.069 4.775 1.00 0.00 C ATOM 0 H ALA A 54 -5.995 7.882 7.241 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.967 6.460 5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.290 7.902 3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.181 7.554 5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.401 9.137 4.975 1.00 0.00 H new ATOM 767 N VAL A 55 -3.797 9.532 5.053 1.00 0.00 N ATOM 768 CA VAL A 55 -2.682 10.327 4.589 1.00 0.00 C ATOM 769 C VAL A 55 -1.399 9.574 4.868 1.00 0.00 C ATOM 770 O VAL A 55 -0.621 9.271 3.966 1.00 0.00 O ATOM 771 CB VAL A 55 -2.657 11.668 5.322 1.00 0.00 C ATOM 772 CG1 VAL A 55 -1.681 12.612 4.628 1.00 0.00 C ATOM 773 CG2 VAL A 55 -4.061 12.283 5.320 1.00 0.00 C ATOM 0 H VAL A 55 -4.520 10.056 5.547 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.783 10.512 3.519 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.335 11.511 6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.664 13.568 5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.682 12.175 4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.998 12.769 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.040 13.239 5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.388 12.439 4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.754 11.609 5.823 1.00 0.00 H new ATOM 783 N SER A 56 -1.216 9.262 6.137 1.00 0.00 N ATOM 784 CA SER A 56 -0.047 8.524 6.593 1.00 0.00 C ATOM 785 C SER A 56 0.192 7.291 5.725 1.00 0.00 C ATOM 786 O SER A 56 1.315 7.034 5.293 1.00 0.00 O ATOM 787 CB SER A 56 -0.246 8.100 8.046 1.00 0.00 C ATOM 788 OG SER A 56 1.010 7.743 8.607 1.00 0.00 O ATOM 0 H SER A 56 -1.869 9.510 6.880 1.00 0.00 H new ATOM 0 HA SER A 56 0.825 9.173 6.514 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.694 8.914 8.616 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.934 7.257 8.100 1.00 0.00 H new ATOM 0 HG SER A 56 0.886 7.472 9.541 1.00 0.00 H new ATOM 794 N LEU A 57 -0.865 6.525 5.473 1.00 0.00 N ATOM 795 CA LEU A 57 -0.732 5.320 4.657 1.00 0.00 C ATOM 796 C LEU A 57 -0.218 5.657 3.270 1.00 0.00 C ATOM 797 O LEU A 57 0.534 4.892 2.668 1.00 0.00 O ATOM 798 CB LEU A 57 -2.080 4.610 4.516 1.00 0.00 C ATOM 799 CG LEU A 57 -2.409 3.844 5.801 1.00 0.00 C ATOM 800 CD1 LEU A 57 -3.264 4.710 6.731 1.00 0.00 C ATOM 801 CD2 LEU A 57 -3.184 2.580 5.434 1.00 0.00 C ATOM 0 H LEU A 57 -1.808 6.711 5.814 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.021 4.665 5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.863 5.339 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.051 3.922 3.671 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.483 3.585 6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.491 4.153 7.640 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.717 5.617 6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.193 4.976 6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.425 2.025 6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.106 2.854 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.575 1.958 4.778 1.00 0.00 H new ATOM 813 N LEU A 58 -0.658 6.792 2.762 1.00 0.00 N ATOM 814 CA LEU A 58 -0.268 7.224 1.418 1.00 0.00 C ATOM 815 C LEU A 58 1.107 7.884 1.385 1.00 0.00 C ATOM 816 O LEU A 58 1.741 7.944 0.332 1.00 0.00 O ATOM 817 CB LEU A 58 -1.298 8.204 0.850 1.00 0.00 C ATOM 818 CG LEU A 58 -2.710 7.656 1.054 1.00 0.00 C ATOM 819 CD1 LEU A 58 -3.734 8.674 0.547 1.00 0.00 C ATOM 820 CD2 LEU A 58 -2.883 6.340 0.285 1.00 0.00 C ATOM 0 H LEU A 58 -1.283 7.434 3.250 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.224 6.321 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.200 9.172 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.112 8.365 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.866 7.473 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.740 8.282 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.624 9.607 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.568 8.860 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.893 5.959 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.719 6.516 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.161 5.609 0.648 1.00 0.00 H new ATOM 832 N THR A 59 1.558 8.399 2.515 1.00 0.00 N ATOM 833 CA THR A 59 2.855 9.073 2.551 1.00 0.00 C ATOM 834 C THR A 59 3.868 8.330 3.423 1.00 0.00 C ATOM 835 O THR A 59 4.960 8.839 3.684 1.00 0.00 O ATOM 836 CB THR A 59 2.678 10.503 3.065 1.00 0.00 C ATOM 837 OG1 THR A 59 3.928 11.006 3.515 1.00 0.00 O ATOM 838 CG2 THR A 59 1.674 10.510 4.216 1.00 0.00 C ATOM 0 H THR A 59 1.062 8.368 3.406 1.00 0.00 H new ATOM 0 HA THR A 59 3.248 9.087 1.534 1.00 0.00 H new ATOM 0 HB THR A 59 2.307 11.135 2.259 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.292 10.410 4.202 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.548 11.529 4.582 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.715 10.129 3.865 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.042 9.877 5.024 1.00 0.00 H new ATOM 846 N ASP A 60 3.514 7.131 3.870 1.00 0.00 N ATOM 847 CA ASP A 60 4.413 6.340 4.710 1.00 0.00 C ATOM 848 C ASP A 60 5.746 6.071 4.006 1.00 0.00 C ATOM 849 O ASP A 60 6.503 5.199 4.426 1.00 0.00 O ATOM 850 CB ASP A 60 3.752 5.007 5.071 1.00 0.00 C ATOM 851 CG ASP A 60 4.423 4.410 6.305 1.00 0.00 C ATOM 852 OD1 ASP A 60 5.642 4.415 6.352 1.00 0.00 O ATOM 853 OD2 ASP A 60 3.708 3.958 7.183 1.00 0.00 O ATOM 0 H ASP A 60 2.619 6.686 3.668 1.00 0.00 H new ATOM 0 HA ASP A 60 4.612 6.913 5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.690 5.158 5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.830 4.314 4.233 1.00 0.00 H new ATOM 858 N GLU A 61 6.022 6.828 2.941 1.00 0.00 N ATOM 859 CA GLU A 61 7.261 6.678 2.183 1.00 0.00 C ATOM 860 C GLU A 61 7.046 5.809 0.950 1.00 0.00 C ATOM 861 O GLU A 61 7.694 4.775 0.786 1.00 0.00 O ATOM 862 CB GLU A 61 8.342 6.057 3.057 1.00 0.00 C ATOM 863 CG GLU A 61 9.718 6.348 2.451 1.00 0.00 C ATOM 864 CD GLU A 61 10.322 7.592 3.091 1.00 0.00 C ATOM 865 OE1 GLU A 61 10.838 7.476 4.190 1.00 0.00 O ATOM 866 OE2 GLU A 61 10.263 8.641 2.472 1.00 0.00 O ATOM 0 H GLU A 61 5.399 7.553 2.585 1.00 0.00 H new ATOM 0 HA GLU A 61 7.578 7.670 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.285 6.462 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.188 4.981 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.379 5.494 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.626 6.492 1.374 1.00 0.00 H new ATOM 873 N ARG A 62 6.132 6.235 0.088 1.00 0.00 N ATOM 874 CA ARG A 62 5.834 5.496 -1.126 1.00 0.00 C ATOM 875 C ARG A 62 5.781 6.430 -2.324 1.00 0.00 C ATOM 876 O ARG A 62 6.762 6.592 -3.049 1.00 0.00 O ATOM 877 CB ARG A 62 4.492 4.800 -0.968 1.00 0.00 C ATOM 878 CG ARG A 62 3.720 5.453 0.174 1.00 0.00 C ATOM 879 CD ARG A 62 2.242 5.113 0.035 1.00 0.00 C ATOM 880 NE ARG A 62 2.077 3.672 -0.129 1.00 0.00 N ATOM 881 CZ ARG A 62 1.355 3.159 -1.124 1.00 0.00 C ATOM 882 NH1 ARG A 62 0.738 3.941 -1.968 1.00 0.00 N ATOM 883 NH2 ARG A 62 1.259 1.864 -1.253 1.00 0.00 N ATOM 0 H ARG A 62 5.586 7.088 0.209 1.00 0.00 H new ATOM 0 HA ARG A 62 6.621 4.761 -1.294 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.922 4.869 -1.894 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.641 3.740 -0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.098 5.100 1.134 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.861 6.534 0.153 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.697 5.452 0.916 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.819 5.636 -0.822 1.00 0.00 H new ATOM 0 HE ARG A 62 2.526 3.042 0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.807 4.954 -1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.187 3.539 -2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.736 1.249 -0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.707 1.467 -2.013 1.00 0.00 H new ATOM 897 N VAL A 63 4.625 7.040 -2.516 1.00 0.00 N ATOM 898 CA VAL A 63 4.430 7.964 -3.623 1.00 0.00 C ATOM 899 C VAL A 63 5.543 9.005 -3.642 1.00 0.00 C ATOM 900 O VAL A 63 6.546 8.842 -4.338 1.00 0.00 O ATOM 901 CB VAL A 63 3.063 8.648 -3.494 1.00 0.00 C ATOM 902 CG1 VAL A 63 2.798 9.510 -4.729 1.00 0.00 C ATOM 903 CG2 VAL A 63 1.967 7.583 -3.382 1.00 0.00 C ATOM 0 H VAL A 63 3.806 6.913 -1.921 1.00 0.00 H new ATOM 0 HA VAL A 63 4.460 7.408 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 63 3.060 9.276 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.826 9.994 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.575 10.270 -4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.804 8.881 -5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.996 8.069 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.976 6.956 -4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.148 6.965 -2.502 1.00 0.00 H new ATOM 913 N LYS A 64 5.357 10.059 -2.864 1.00 0.00 N ATOM 914 CA LYS A 64 6.339 11.139 -2.768 1.00 0.00 C ATOM 915 C LYS A 64 7.316 11.109 -3.941 1.00 0.00 C ATOM 916 O LYS A 64 6.922 10.887 -5.087 1.00 0.00 O ATOM 917 CB LYS A 64 7.119 11.018 -1.456 1.00 0.00 C ATOM 918 CG LYS A 64 6.151 10.696 -0.315 1.00 0.00 C ATOM 919 CD LYS A 64 6.945 10.344 0.945 1.00 0.00 C ATOM 920 CE LYS A 64 7.057 11.580 1.841 1.00 0.00 C ATOM 921 NZ LYS A 64 5.719 11.900 2.413 1.00 0.00 N ATOM 0 H LYS A 64 4.529 10.194 -2.283 1.00 0.00 H new ATOM 0 HA LYS A 64 5.799 12.085 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.873 10.235 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.647 11.948 -1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.503 11.551 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.506 9.863 -0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.452 9.535 1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.939 9.987 0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.773 11.398 2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.431 12.427 1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.838 12.380 3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.202 12.523 1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.181 11.021 2.551 1.00 0.00 H new ATOM 935 N GLU A 65 8.592 11.339 -3.645 1.00 0.00 N ATOM 936 CA GLU A 65 9.623 11.340 -4.676 1.00 0.00 C ATOM 937 C GLU A 65 10.873 10.624 -4.177 1.00 0.00 C ATOM 938 O GLU A 65 11.793 11.251 -3.650 1.00 0.00 O ATOM 939 CB GLU A 65 9.975 12.777 -5.059 1.00 0.00 C ATOM 940 CG GLU A 65 8.692 13.598 -5.203 1.00 0.00 C ATOM 941 CD GLU A 65 8.352 14.268 -3.877 1.00 0.00 C ATOM 942 OE1 GLU A 65 7.860 13.580 -2.996 1.00 0.00 O ATOM 943 OE2 GLU A 65 8.587 15.460 -3.760 1.00 0.00 O ATOM 0 H GLU A 65 8.935 11.526 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 65 9.240 10.815 -5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.619 13.220 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.533 12.788 -5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.818 14.352 -5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.871 12.953 -5.516 1.00 0.00 H new ATOM 950 N PRO A 66 10.916 9.329 -4.331 1.00 0.00 N ATOM 951 CA PRO A 66 12.069 8.499 -3.887 1.00 0.00 C ATOM 952 C PRO A 66 13.218 8.524 -4.883 1.00 0.00 C ATOM 953 O PRO A 66 13.974 9.492 -4.953 1.00 0.00 O ATOM 954 CB PRO A 66 11.463 7.102 -3.769 1.00 0.00 C ATOM 955 CG PRO A 66 10.356 7.067 -4.770 1.00 0.00 C ATOM 956 CD PRO A 66 9.864 8.508 -4.949 1.00 0.00 C ATOM 0 HA PRO A 66 12.510 8.860 -2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.206 6.332 -3.977 1.00 0.00 H new ATOM 0 HB3 PRO A 66 11.088 6.920 -2.762 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.707 6.659 -5.718 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.546 6.423 -4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.733 8.756 -6.002 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.901 8.663 -4.463 1.00 0.00 H new ATOM 964 N SER A 67 13.348 7.450 -5.645 1.00 0.00 N ATOM 965 CA SER A 67 14.413 7.352 -6.629 1.00 0.00 C ATOM 966 C SER A 67 15.629 8.152 -6.177 1.00 0.00 C ATOM 967 O SER A 67 15.697 9.364 -6.384 1.00 0.00 O ATOM 968 CB SER A 67 13.926 7.867 -7.983 1.00 0.00 C ATOM 969 OG SER A 67 15.046 8.250 -8.770 1.00 0.00 O ATOM 0 H SER A 67 12.733 6.638 -5.601 1.00 0.00 H new ATOM 0 HA SER A 67 14.699 6.305 -6.728 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.355 7.093 -8.495 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.258 8.717 -7.843 1.00 0.00 H new ATOM 0 HG SER A 67 15.546 7.451 -9.038 1.00 0.00 H new ATOM 975 N GLN A 68 16.580 7.457 -5.555 1.00 0.00 N ATOM 976 CA GLN A 68 17.803 8.087 -5.059 1.00 0.00 C ATOM 977 C GLN A 68 18.000 9.475 -5.664 1.00 0.00 C ATOM 978 O GLN A 68 17.786 10.487 -4.997 1.00 0.00 O ATOM 979 CB GLN A 68 19.009 7.207 -5.394 1.00 0.00 C ATOM 980 CG GLN A 68 18.656 5.739 -5.134 1.00 0.00 C ATOM 981 CD GLN A 68 19.761 5.070 -4.324 1.00 0.00 C ATOM 982 OE1 GLN A 68 20.741 4.586 -4.891 1.00 0.00 O ATOM 983 NE2 GLN A 68 19.663 5.015 -3.024 1.00 0.00 N ATOM 0 H GLN A 68 16.527 6.453 -5.382 1.00 0.00 H new ATOM 0 HA GLN A 68 17.711 8.197 -3.978 1.00 0.00 H new ATOM 0 HB2 GLN A 68 19.295 7.344 -6.437 1.00 0.00 H new ATOM 0 HB3 GLN A 68 19.866 7.499 -4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.710 5.674 -4.596 1.00 0.00 H new ATOM 0 HG3 GLN A 68 18.521 5.216 -6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 68 18.850 5.417 -2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 68 20.399 4.570 -2.475 1.00 0.00 H new ATOM 992 N ASP A 69 18.409 9.518 -6.929 1.00 0.00 N ATOM 993 CA ASP A 69 18.631 10.794 -7.601 1.00 0.00 C ATOM 994 C ASP A 69 17.625 11.003 -8.716 1.00 0.00 C ATOM 995 O ASP A 69 17.121 12.107 -8.925 1.00 0.00 O ATOM 996 CB ASP A 69 20.049 10.850 -8.170 1.00 0.00 C ATOM 997 CG ASP A 69 20.911 9.765 -7.533 1.00 0.00 C ATOM 998 OD1 ASP A 69 20.736 8.612 -7.889 1.00 0.00 O ATOM 999 OD2 ASP A 69 21.734 10.104 -6.699 1.00 0.00 O ATOM 0 H ASP A 69 18.591 8.695 -7.503 1.00 0.00 H new ATOM 0 HA ASP A 69 18.504 11.589 -6.866 1.00 0.00 H new ATOM 0 HB2 ASP A 69 20.021 10.715 -9.251 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.487 11.830 -7.982 1.00 0.00 H new ATOM 1004 N THR A 70 17.345 9.933 -9.421 1.00 0.00 N ATOM 1005 CA THR A 70 16.395 9.971 -10.529 1.00 0.00 C ATOM 1006 C THR A 70 16.494 8.703 -11.372 1.00 0.00 C ATOM 1007 O THR A 70 17.267 7.797 -11.061 1.00 0.00 O ATOM 1008 CB THR A 70 16.662 11.196 -11.415 1.00 0.00 C ATOM 1009 OG1 THR A 70 17.867 11.828 -11.003 1.00 0.00 O ATOM 1010 CG2 THR A 70 15.499 12.184 -11.291 1.00 0.00 C ATOM 0 H THR A 70 17.759 9.016 -9.253 1.00 0.00 H new ATOM 0 HA THR A 70 15.391 10.038 -10.110 1.00 0.00 H new ATOM 0 HB THR A 70 16.756 10.876 -12.453 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.670 12.482 -10.300 1.00 0.00 H new ATOM 0 HG21 THR A 70 15.691 13.053 -11.921 1.00 0.00 H new ATOM 0 HG22 THR A 70 14.576 11.701 -11.611 1.00 0.00 H new ATOM 0 HG23 THR A 70 15.401 12.503 -10.253 1.00 0.00 H new ATOM 1018 N VAL A 71 15.703 8.649 -12.440 1.00 0.00 N ATOM 1019 CA VAL A 71 15.703 7.491 -13.329 1.00 0.00 C ATOM 1020 C VAL A 71 15.789 7.941 -14.786 1.00 0.00 C ATOM 1021 O VAL A 71 15.053 8.831 -15.214 1.00 0.00 O ATOM 1022 CB VAL A 71 14.428 6.673 -13.116 1.00 0.00 C ATOM 1023 CG1 VAL A 71 14.407 6.119 -11.690 1.00 0.00 C ATOM 1024 CG2 VAL A 71 13.204 7.570 -13.331 1.00 0.00 C ATOM 0 H VAL A 71 15.056 9.390 -12.710 1.00 0.00 H new ATOM 0 HA VAL A 71 16.571 6.873 -13.099 1.00 0.00 H new ATOM 0 HB VAL A 71 14.405 5.847 -13.827 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.498 5.536 -11.539 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.277 5.481 -11.535 1.00 0.00 H new ATOM 0 HG13 VAL A 71 14.431 6.944 -10.979 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.295 6.988 -13.179 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.229 8.396 -12.620 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.216 7.965 -14.347 1.00 0.00 H new ATOM 1034 N ALA A 72 16.692 7.325 -15.542 1.00 0.00 N ATOM 1035 CA ALA A 72 16.867 7.676 -16.948 1.00 0.00 C ATOM 1036 C ALA A 72 15.670 7.225 -17.771 1.00 0.00 C ATOM 1037 O ALA A 72 15.256 7.899 -18.714 1.00 0.00 O ATOM 1038 CB ALA A 72 18.137 7.027 -17.497 1.00 0.00 C ATOM 0 H ALA A 72 17.310 6.585 -15.208 1.00 0.00 H new ATOM 0 HA ALA A 72 16.953 8.760 -17.019 1.00 0.00 H new ATOM 0 HB1 ALA A 72 18.258 7.295 -18.547 1.00 0.00 H new ATOM 0 HB2 ALA A 72 18.999 7.379 -16.931 1.00 0.00 H new ATOM 0 HB3 ALA A 72 18.061 5.944 -17.406 1.00 0.00 H new ATOM 1044 N THR A 73 15.128 6.080 -17.403 1.00 0.00 N ATOM 1045 CA THR A 73 13.975 5.524 -18.104 1.00 0.00 C ATOM 1046 C THR A 73 13.415 4.325 -17.347 1.00 0.00 C ATOM 1047 O THR A 73 12.293 4.366 -16.844 1.00 0.00 O ATOM 1048 CB THR A 73 14.378 5.095 -19.515 1.00 0.00 C ATOM 1049 OG1 THR A 73 14.697 6.245 -20.286 1.00 0.00 O ATOM 1050 CG2 THR A 73 13.218 4.342 -20.172 1.00 0.00 C ATOM 0 H THR A 73 15.463 5.513 -16.624 1.00 0.00 H new ATOM 0 HA THR A 73 13.205 6.293 -18.164 1.00 0.00 H new ATOM 0 HB THR A 73 15.249 4.441 -19.462 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.461 7.052 -19.783 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.506 4.036 -21.178 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.975 3.459 -19.580 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.346 4.993 -20.226 1.00 0.00 H new ATOM 1058 N GLU A 74 14.204 3.259 -17.267 1.00 0.00 N ATOM 1059 CA GLU A 74 13.773 2.057 -16.565 1.00 0.00 C ATOM 1060 C GLU A 74 13.170 2.426 -15.213 1.00 0.00 C ATOM 1061 O GLU A 74 13.546 3.429 -14.607 1.00 0.00 O ATOM 1062 CB GLU A 74 14.961 1.116 -16.358 1.00 0.00 C ATOM 1063 CG GLU A 74 16.254 1.931 -16.301 1.00 0.00 C ATOM 1064 CD GLU A 74 17.238 1.281 -15.334 1.00 0.00 C ATOM 1065 OE1 GLU A 74 17.506 0.103 -15.496 1.00 0.00 O ATOM 1066 OE2 GLU A 74 17.709 1.973 -14.445 1.00 0.00 O ATOM 0 H GLU A 74 15.137 3.203 -17.676 1.00 0.00 H new ATOM 0 HA GLU A 74 13.017 1.553 -17.167 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.834 0.551 -15.435 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.011 0.392 -17.171 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.697 1.996 -17.295 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.037 2.950 -15.982 1.00 0.00 H new ATOM 1073 N PRO A 75 12.246 1.637 -14.737 1.00 0.00 N ATOM 1074 CA PRO A 75 11.575 1.885 -13.430 1.00 0.00 C ATOM 1075 C PRO A 75 12.541 1.750 -12.258 1.00 0.00 C ATOM 1076 O PRO A 75 13.644 1.221 -12.405 1.00 0.00 O ATOM 1077 CB PRO A 75 10.476 0.819 -13.364 1.00 0.00 C ATOM 1078 CG PRO A 75 10.879 -0.246 -14.331 1.00 0.00 C ATOM 1079 CD PRO A 75 11.746 0.424 -15.396 1.00 0.00 C ATOM 0 HA PRO A 75 11.183 2.900 -13.360 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.383 0.416 -12.356 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.507 1.241 -13.629 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.432 -1.037 -13.825 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.002 -0.709 -14.783 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.563 -0.225 -15.711 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.168 0.664 -16.288 1.00 0.00 H new ATOM 1087 N SER A 76 12.122 2.236 -11.095 1.00 0.00 N ATOM 1088 CA SER A 76 12.959 2.169 -9.903 1.00 0.00 C ATOM 1089 C SER A 76 13.778 0.883 -9.891 1.00 0.00 C ATOM 1090 O SER A 76 13.461 -0.075 -10.598 1.00 0.00 O ATOM 1091 CB SER A 76 12.087 2.230 -8.649 1.00 0.00 C ATOM 1092 OG SER A 76 11.727 3.581 -8.392 1.00 0.00 O ATOM 0 H SER A 76 11.214 2.678 -10.952 1.00 0.00 H new ATOM 0 HA SER A 76 13.641 3.019 -9.915 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.192 1.623 -8.785 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.626 1.817 -7.797 1.00 0.00 H new ATOM 0 HG SER A 76 11.166 3.623 -7.589 1.00 0.00 H new ATOM 1098 N GLU A 77 14.828 0.867 -9.078 1.00 0.00 N ATOM 1099 CA GLU A 77 15.686 -0.307 -8.974 1.00 0.00 C ATOM 1100 C GLU A 77 15.376 -1.076 -7.701 1.00 0.00 C ATOM 1101 O GLU A 77 14.692 -2.099 -7.724 1.00 0.00 O ATOM 1102 CB GLU A 77 17.157 0.115 -8.980 1.00 0.00 C ATOM 1103 CG GLU A 77 17.718 -0.025 -10.396 1.00 0.00 C ATOM 1104 CD GLU A 77 19.163 0.460 -10.437 1.00 0.00 C ATOM 1105 OE1 GLU A 77 19.878 0.211 -9.482 1.00 0.00 O ATOM 1106 OE2 GLU A 77 19.534 1.073 -11.426 1.00 0.00 O ATOM 0 H GLU A 77 15.105 1.649 -8.484 1.00 0.00 H new ATOM 0 HA GLU A 77 15.496 -0.953 -9.831 1.00 0.00 H new ATOM 0 HB2 GLU A 77 17.253 1.146 -8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.728 -0.504 -8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.666 -1.066 -10.715 1.00 0.00 H new ATOM 0 HG3 GLU A 77 17.112 0.553 -11.094 1.00 0.00 H new ATOM 1113 N VAL A 78 15.882 -0.566 -6.595 1.00 0.00 N ATOM 1114 CA VAL A 78 15.663 -1.195 -5.298 1.00 0.00 C ATOM 1115 C VAL A 78 14.193 -1.105 -4.903 1.00 0.00 C ATOM 1116 O VAL A 78 13.305 -1.304 -5.731 1.00 0.00 O ATOM 1117 CB VAL A 78 16.518 -0.507 -4.232 1.00 0.00 C ATOM 1118 CG1 VAL A 78 16.779 -1.479 -3.080 1.00 0.00 C ATOM 1119 CG2 VAL A 78 17.852 -0.078 -4.848 1.00 0.00 C ATOM 0 H VAL A 78 16.448 0.282 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 78 15.948 -2.245 -5.372 1.00 0.00 H new ATOM 0 HB VAL A 78 15.992 0.370 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 78 17.388 -0.988 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 78 15.830 -1.786 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 78 17.305 -2.356 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 78 18.462 0.412 -4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.378 -0.955 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 78 17.668 0.615 -5.669 1.00 0.00 H new ATOM 1129 N GLU A 79 13.944 -0.802 -3.632 1.00 0.00 N ATOM 1130 CA GLU A 79 12.578 -0.685 -3.138 1.00 0.00 C ATOM 1131 C GLU A 79 12.275 0.756 -2.745 1.00 0.00 C ATOM 1132 O GLU A 79 11.888 1.570 -3.584 1.00 0.00 O ATOM 1133 CB GLU A 79 12.378 -1.599 -1.927 1.00 0.00 C ATOM 1134 CG GLU A 79 12.415 -3.059 -2.378 1.00 0.00 C ATOM 1135 CD GLU A 79 11.523 -3.905 -1.477 1.00 0.00 C ATOM 1136 OE1 GLU A 79 11.809 -3.977 -0.293 1.00 0.00 O ATOM 1137 OE2 GLU A 79 10.567 -4.469 -1.984 1.00 0.00 O ATOM 0 H GLU A 79 14.666 -0.634 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 79 11.897 -0.985 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.157 -1.416 -1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.425 -1.380 -1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.080 -3.137 -3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.438 -3.433 -2.345 1.00 0.00 H new ATOM 1144 N GLY A 80 12.457 1.066 -1.465 1.00 0.00 N ATOM 1145 CA GLY A 80 12.204 2.416 -0.974 1.00 0.00 C ATOM 1146 C GLY A 80 10.942 2.460 -0.118 1.00 0.00 C ATOM 1147 O GLY A 80 10.051 3.276 -0.353 1.00 0.00 O ATOM 0 H GLY A 80 12.776 0.407 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.057 2.759 -0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.100 3.100 -1.817 1.00 0.00 H new ATOM 1151 N SER A 81 10.873 1.581 0.876 1.00 0.00 N ATOM 1152 CA SER A 81 9.715 1.535 1.761 1.00 0.00 C ATOM 1153 C SER A 81 10.145 1.285 3.203 1.00 0.00 C ATOM 1154 O SER A 81 11.308 0.986 3.473 1.00 0.00 O ATOM 1155 CB SER A 81 8.758 0.431 1.319 1.00 0.00 C ATOM 1156 OG SER A 81 8.529 0.537 -0.080 1.00 0.00 O ATOM 0 H SER A 81 11.599 0.896 1.088 1.00 0.00 H new ATOM 0 HA SER A 81 9.209 2.499 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.178 -0.546 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.815 0.513 1.860 1.00 0.00 H new ATOM 0 HG SER A 81 7.916 -0.172 -0.366 1.00 0.00 H new ATOM 1162 N ALA A 82 9.197 1.413 4.125 1.00 0.00 N ATOM 1163 CA ALA A 82 9.476 1.205 5.532 1.00 0.00 C ATOM 1164 C ALA A 82 9.385 -0.274 5.889 1.00 0.00 C ATOM 1165 O ALA A 82 9.046 -1.107 5.049 1.00 0.00 O ATOM 1166 CB ALA A 82 8.477 1.997 6.372 1.00 0.00 C ATOM 0 H ALA A 82 8.229 1.660 3.918 1.00 0.00 H new ATOM 0 HA ALA A 82 10.489 1.549 5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.687 1.841 7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.565 3.058 6.138 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.465 1.659 6.149 1.00 0.00 H new ATOM 1172 N ALA A 83 9.687 -0.594 7.145 1.00 0.00 N ATOM 1173 CA ALA A 83 9.634 -1.976 7.604 1.00 0.00 C ATOM 1174 C ALA A 83 10.143 -2.081 9.037 1.00 0.00 C ATOM 1175 O ALA A 83 10.383 -1.069 9.697 1.00 0.00 O ATOM 1176 CB ALA A 83 10.481 -2.864 6.691 1.00 0.00 C ATOM 0 H ALA A 83 9.969 0.080 7.857 1.00 0.00 H new ATOM 0 HA ALA A 83 8.597 -2.311 7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.435 -3.895 7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.097 -2.810 5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.515 -2.521 6.707 1.00 0.00 H new ATOM 1182 N ASN A 84 10.308 -3.311 9.513 1.00 0.00 N ATOM 1183 CA ASN A 84 10.793 -3.535 10.869 1.00 0.00 C ATOM 1184 C ASN A 84 12.257 -3.957 10.849 1.00 0.00 C ATOM 1185 O ASN A 84 12.737 -4.614 11.775 1.00 0.00 O ATOM 1186 CB ASN A 84 9.957 -4.618 11.554 1.00 0.00 C ATOM 1187 CG ASN A 84 8.889 -3.976 12.432 1.00 0.00 C ATOM 1188 OD1 ASN A 84 8.489 -4.551 13.445 1.00 0.00 O ATOM 1189 ND2 ASN A 84 8.401 -2.812 12.103 1.00 0.00 N ATOM 0 H ASN A 84 10.115 -4.162 8.984 1.00 0.00 H new ATOM 0 HA ASN A 84 10.701 -2.602 11.425 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.488 -5.255 10.804 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.600 -5.257 12.159 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.686 -2.376 12.685 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.734 -2.338 11.263 1.00 0.00 H new ATOM 1196 N LYS A 85 12.961 -3.578 9.789 1.00 0.00 N ATOM 1197 CA LYS A 85 14.371 -3.925 9.656 1.00 0.00 C ATOM 1198 C LYS A 85 15.213 -2.673 9.430 1.00 0.00 C ATOM 1199 O LYS A 85 14.680 -1.577 9.256 1.00 0.00 O ATOM 1200 CB LYS A 85 14.565 -4.888 8.481 1.00 0.00 C ATOM 1201 CG LYS A 85 15.641 -5.925 8.822 1.00 0.00 C ATOM 1202 CD LYS A 85 14.973 -7.220 9.291 1.00 0.00 C ATOM 1203 CE LYS A 85 16.031 -8.314 9.457 1.00 0.00 C ATOM 1204 NZ LYS A 85 15.873 -9.328 8.375 1.00 0.00 N ATOM 0 H LYS A 85 12.582 -3.034 9.014 1.00 0.00 H new ATOM 0 HA LYS A 85 14.694 -4.406 10.579 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.625 -5.390 8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.854 -4.332 7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.263 -6.120 7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.298 -5.540 9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.457 -7.053 10.236 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.220 -7.535 8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.029 -7.878 9.418 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.928 -8.789 10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.592 -10.071 8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.925 -9.752 8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.992 -8.869 7.449 1.00 0.00 H new ATOM 1218 N GLU A 86 16.529 -2.845 9.434 1.00 0.00 N ATOM 1219 CA GLU A 86 17.439 -1.731 9.228 1.00 0.00 C ATOM 1220 C GLU A 86 17.376 -0.763 10.396 1.00 0.00 C ATOM 1221 O GLU A 86 16.505 0.104 10.457 1.00 0.00 O ATOM 1222 CB GLU A 86 17.092 -0.993 7.943 1.00 0.00 C ATOM 1223 CG GLU A 86 18.313 -0.213 7.453 1.00 0.00 C ATOM 1224 CD GLU A 86 17.864 1.046 6.718 1.00 0.00 C ATOM 1225 OE1 GLU A 86 17.544 2.015 7.385 1.00 0.00 O ATOM 1226 OE2 GLU A 86 17.845 1.020 5.498 1.00 0.00 O ATOM 0 H GLU A 86 16.987 -3.745 9.578 1.00 0.00 H new ATOM 0 HA GLU A 86 18.450 -2.132 9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.771 -1.702 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.259 -0.312 8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.947 0.055 8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.912 -0.837 6.790 1.00 0.00 H new ATOM 1233 N VAL A 87 18.317 -0.918 11.307 1.00 0.00 N ATOM 1234 CA VAL A 87 18.406 -0.066 12.470 1.00 0.00 C ATOM 1235 C VAL A 87 17.776 1.294 12.216 1.00 0.00 C ATOM 1236 O VAL A 87 17.767 1.792 11.091 1.00 0.00 O ATOM 1237 CB VAL A 87 19.873 0.118 12.801 1.00 0.00 C ATOM 1238 CG1 VAL A 87 20.584 -1.231 12.700 1.00 0.00 C ATOM 1239 CG2 VAL A 87 20.489 1.098 11.799 1.00 0.00 C ATOM 0 H VAL A 87 19.039 -1.637 11.259 1.00 0.00 H new ATOM 0 HA VAL A 87 17.867 -0.532 13.295 1.00 0.00 H new ATOM 0 HB VAL A 87 19.981 0.510 13.812 1.00 0.00 H new ATOM 0 HG11 VAL A 87 21.640 -1.104 12.937 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.136 -1.932 13.404 1.00 0.00 H new ATOM 0 HG13 VAL A 87 20.484 -1.620 11.687 1.00 0.00 H new ATOM 0 HG21 VAL A 87 21.545 1.237 12.029 1.00 0.00 H new ATOM 0 HG22 VAL A 87 20.387 0.699 10.790 1.00 0.00 H new ATOM 0 HG23 VAL A 87 19.974 2.057 11.864 1.00 0.00 H new ATOM 1249 N LEU A 88 17.271 1.899 13.282 1.00 0.00 N ATOM 1250 CA LEU A 88 16.659 3.212 13.180 1.00 0.00 C ATOM 1251 C LEU A 88 17.708 4.226 12.761 1.00 0.00 C ATOM 1252 O LEU A 88 17.428 5.183 12.039 1.00 0.00 O ATOM 1253 CB LEU A 88 16.072 3.614 14.529 1.00 0.00 C ATOM 1254 CG LEU A 88 14.708 2.954 14.724 1.00 0.00 C ATOM 1255 CD1 LEU A 88 14.900 1.516 15.212 1.00 0.00 C ATOM 1256 CD2 LEU A 88 13.922 3.744 15.769 1.00 0.00 C ATOM 0 H LEU A 88 17.274 1.502 14.222 1.00 0.00 H new ATOM 0 HA LEU A 88 15.862 3.182 12.437 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.747 3.317 15.332 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.971 4.698 14.582 1.00 0.00 H new ATOM 0 HG LEU A 88 14.164 2.944 13.779 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.926 1.046 15.351 1.00 0.00 H new ATOM 0 HD12 LEU A 88 15.472 0.954 14.473 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.438 1.522 16.160 1.00 0.00 H new ATOM 0 HD21 LEU A 88 12.946 3.282 15.916 1.00 0.00 H new ATOM 0 HD22 LEU A 88 14.469 3.745 16.712 1.00 0.00 H new ATOM 0 HD23 LEU A 88 13.789 4.770 15.426 1.00 0.00 H new ATOM 1268 N ALA A 89 18.918 3.984 13.225 1.00 0.00 N ATOM 1269 CA ALA A 89 20.047 4.848 12.913 1.00 0.00 C ATOM 1270 C ALA A 89 19.743 6.298 13.279 1.00 0.00 C ATOM 1271 O ALA A 89 18.622 6.632 13.663 1.00 0.00 O ATOM 1272 CB ALA A 89 20.370 4.742 11.428 1.00 0.00 C ATOM 0 H ALA A 89 19.149 3.191 13.824 1.00 0.00 H new ATOM 0 HA ALA A 89 20.907 4.525 13.500 1.00 0.00 H new ATOM 0 HB1 ALA A 89 21.215 5.389 11.192 1.00 0.00 H new ATOM 0 HB2 ALA A 89 20.623 3.710 11.183 1.00 0.00 H new ATOM 0 HB3 ALA A 89 19.503 5.051 10.844 1.00 0.00 H new ATOM 1278 N LYS A 90 20.755 7.154 13.165 1.00 0.00 N ATOM 1279 CA LYS A 90 20.594 8.566 13.492 1.00 0.00 C ATOM 1280 C LYS A 90 20.603 9.419 12.231 1.00 0.00 C ATOM 1281 O LYS A 90 20.208 8.967 11.157 1.00 0.00 O ATOM 1282 CB LYS A 90 21.728 9.013 14.421 1.00 0.00 C ATOM 1283 CG LYS A 90 21.178 9.940 15.514 1.00 0.00 C ATOM 1284 CD LYS A 90 20.845 9.132 16.777 1.00 0.00 C ATOM 1285 CE LYS A 90 19.471 8.476 16.625 1.00 0.00 C ATOM 1286 NZ LYS A 90 18.485 9.488 16.150 1.00 0.00 N ATOM 0 H LYS A 90 21.690 6.896 12.850 1.00 0.00 H new ATOM 0 HA LYS A 90 19.634 8.696 13.992 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.201 8.143 14.875 1.00 0.00 H new ATOM 0 HB3 LYS A 90 22.497 9.530 13.847 1.00 0.00 H new ATOM 0 HG2 LYS A 90 21.911 10.711 15.750 1.00 0.00 H new ATOM 0 HG3 LYS A 90 20.284 10.449 15.153 1.00 0.00 H new ATOM 0 HD2 LYS A 90 21.606 8.369 16.943 1.00 0.00 H new ATOM 0 HD3 LYS A 90 20.852 9.785 17.650 1.00 0.00 H new ATOM 0 HE2 LYS A 90 19.528 7.649 15.918 1.00 0.00 H new ATOM 0 HE3 LYS A 90 19.148 8.058 17.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 17.540 9.248 16.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 18.759 10.429 16.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 18.468 9.494 15.110 1.00 0.00 H new ATOM 1300 N VAL A 91 21.048 10.661 12.378 1.00 0.00 N ATOM 1301 CA VAL A 91 21.100 11.584 11.255 1.00 0.00 C ATOM 1302 C VAL A 91 22.312 11.296 10.374 1.00 0.00 C ATOM 1303 O VAL A 91 23.016 12.214 9.954 1.00 0.00 O ATOM 1304 CB VAL A 91 21.180 13.016 11.779 1.00 0.00 C ATOM 1305 CG1 VAL A 91 22.540 13.233 12.448 1.00 0.00 C ATOM 1306 CG2 VAL A 91 21.015 13.995 10.616 1.00 0.00 C ATOM 0 H VAL A 91 21.377 11.050 13.262 1.00 0.00 H new ATOM 0 HA VAL A 91 20.198 11.457 10.657 1.00 0.00 H new ATOM 0 HB VAL A 91 20.386 13.186 12.506 1.00 0.00 H new ATOM 0 HG11 VAL A 91 22.602 14.254 12.824 1.00 0.00 H new ATOM 0 HG12 VAL A 91 22.654 12.534 13.277 1.00 0.00 H new ATOM 0 HG13 VAL A 91 23.334 13.065 11.721 1.00 0.00 H new ATOM 0 HG21 VAL A 91 21.072 15.017 10.990 1.00 0.00 H new ATOM 0 HG22 VAL A 91 21.808 13.831 9.887 1.00 0.00 H new ATOM 0 HG23 VAL A 91 20.047 13.836 10.141 1.00 0.00 H new ATOM 1316 N ILE A 92 22.553 10.019 10.100 1.00 0.00 N ATOM 1317 CA ILE A 92 23.687 9.632 9.271 1.00 0.00 C ATOM 1318 C ILE A 92 23.682 10.400 7.953 1.00 0.00 C ATOM 1319 O ILE A 92 22.642 10.556 7.316 1.00 0.00 O ATOM 1320 CB ILE A 92 23.660 8.118 9.010 1.00 0.00 C ATOM 1321 CG1 ILE A 92 22.774 7.788 7.798 1.00 0.00 C ATOM 1322 CG2 ILE A 92 23.105 7.405 10.242 1.00 0.00 C ATOM 1323 CD1 ILE A 92 21.329 8.214 8.074 1.00 0.00 C ATOM 0 H ILE A 92 21.985 9.242 10.436 1.00 0.00 H new ATOM 0 HA ILE A 92 24.604 9.880 9.805 1.00 0.00 H new ATOM 0 HB ILE A 92 24.676 7.783 8.803 1.00 0.00 H new ATOM 0 HG12 ILE A 92 23.150 8.300 6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 92 22.813 6.719 7.589 1.00 0.00 H new ATOM 0 HG21 ILE A 92 23.084 6.330 10.062 1.00 0.00 H new ATOM 0 HG22 ILE A 92 23.741 7.616 11.102 1.00 0.00 H new ATOM 0 HG23 ILE A 92 22.094 7.759 10.443 1.00 0.00 H new ATOM 0 HD11 ILE A 92 20.708 7.976 7.210 1.00 0.00 H new ATOM 0 HD12 ILE A 92 20.953 7.682 8.948 1.00 0.00 H new ATOM 0 HD13 ILE A 92 21.295 9.287 8.261 1.00 0.00 H new ATOM 1335 N ASP A 93 24.852 10.876 7.550 1.00 0.00 N ATOM 1336 CA ASP A 93 24.975 11.623 6.304 1.00 0.00 C ATOM 1337 C ASP A 93 26.385 11.514 5.766 1.00 0.00 C ATOM 1338 O ASP A 93 27.268 12.294 6.124 1.00 0.00 O ATOM 1339 CB ASP A 93 24.613 13.094 6.523 1.00 0.00 C ATOM 1340 CG ASP A 93 24.219 13.737 5.198 1.00 0.00 C ATOM 1341 OD1 ASP A 93 24.948 13.558 4.235 1.00 0.00 O ATOM 1342 OD2 ASP A 93 23.195 14.398 5.164 1.00 0.00 O ATOM 0 H ASP A 93 25.726 10.760 8.064 1.00 0.00 H new ATOM 0 HA ASP A 93 24.283 11.197 5.577 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.790 13.173 7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 93 25.461 13.625 6.957 1.00 0.00 H new ATOM 1347 N LEU A 94 26.596 10.516 4.921 1.00 0.00 N ATOM 1348 CA LEU A 94 27.900 10.284 4.361 1.00 0.00 C ATOM 1349 C LEU A 94 27.832 9.339 3.172 1.00 0.00 C ATOM 1350 O LEU A 94 28.356 9.627 2.096 1.00 0.00 O ATOM 1351 CB LEU A 94 28.767 9.689 5.451 1.00 0.00 C ATOM 1352 CG LEU A 94 28.038 8.525 6.131 1.00 0.00 C ATOM 1353 CD1 LEU A 94 28.715 7.205 5.756 1.00 0.00 C ATOM 1354 CD2 LEU A 94 28.097 8.708 7.650 1.00 0.00 C ATOM 0 H LEU A 94 25.877 9.861 4.614 1.00 0.00 H new ATOM 0 HA LEU A 94 28.318 11.224 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 94 29.708 9.340 5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 94 29.013 10.454 6.188 1.00 0.00 H new ATOM 0 HG LEU A 94 26.999 8.507 5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 94 28.195 6.379 6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 94 28.679 7.072 4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 94 29.754 7.223 6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 94 27.579 7.881 8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 94 29.138 8.725 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 94 27.616 9.648 7.922 1.00 0.00 H new ATOM 1366 N THR A 95 27.183 8.215 3.387 1.00 0.00 N ATOM 1367 CA THR A 95 27.033 7.204 2.349 1.00 0.00 C ATOM 1368 C THR A 95 27.005 7.854 0.969 1.00 0.00 C ATOM 1369 O THR A 95 26.233 8.782 0.724 1.00 0.00 O ATOM 1370 CB THR A 95 25.740 6.418 2.578 1.00 0.00 C ATOM 1371 OG1 THR A 95 25.184 6.780 3.835 1.00 0.00 O ATOM 1372 CG2 THR A 95 26.042 4.918 2.566 1.00 0.00 C ATOM 0 H THR A 95 26.746 7.972 4.276 1.00 0.00 H new ATOM 0 HA THR A 95 27.884 6.525 2.396 1.00 0.00 H new ATOM 0 HB THR A 95 25.029 6.649 1.785 1.00 0.00 H new ATOM 0 HG1 THR A 95 24.355 6.279 3.983 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.120 4.360 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 95 26.468 4.640 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 95 26.753 4.684 3.358 1.00 0.00 H new ATOM 1380 N HIS A 96 27.856 7.365 0.073 1.00 0.00 N ATOM 1381 CA HIS A 96 27.922 7.907 -1.279 1.00 0.00 C ATOM 1382 C HIS A 96 27.278 6.950 -2.276 1.00 0.00 C ATOM 1383 O HIS A 96 26.791 5.883 -1.903 1.00 0.00 O ATOM 1384 CB HIS A 96 29.380 8.155 -1.670 1.00 0.00 C ATOM 1385 CG HIS A 96 29.995 6.871 -2.153 1.00 0.00 C ATOM 1386 ND1 HIS A 96 30.516 6.735 -3.430 1.00 0.00 N ATOM 1387 CD2 HIS A 96 30.180 5.656 -1.541 1.00 0.00 C ATOM 1388 CE1 HIS A 96 30.985 5.480 -3.547 1.00 0.00 C ATOM 1389 NE2 HIS A 96 30.805 4.778 -2.423 1.00 0.00 N ATOM 0 H HIS A 96 28.505 6.600 0.257 1.00 0.00 H new ATOM 0 HA HIS A 96 27.375 8.850 -1.299 1.00 0.00 H new ATOM 0 HB2 HIS A 96 29.434 8.913 -2.451 1.00 0.00 H new ATOM 0 HB3 HIS A 96 29.937 8.538 -0.815 1.00 0.00 H new ATOM 0 HD2 HIS A 96 29.886 5.417 -0.530 1.00 0.00 H new ATOM 0 HE1 HIS A 96 31.450 5.087 -4.439 1.00 0.00 H new ATOM 0 HE2 HIS A 96 31.069 3.808 -2.249 1.00 0.00 H new ATOM 1397 N ASP A 97 27.273 7.343 -3.546 1.00 0.00 N ATOM 1398 CA ASP A 97 26.680 6.516 -4.588 1.00 0.00 C ATOM 1399 C ASP A 97 27.738 6.076 -5.595 1.00 0.00 C ATOM 1400 O ASP A 97 28.772 6.727 -5.750 1.00 0.00 O ATOM 1401 CB ASP A 97 25.585 7.306 -5.305 1.00 0.00 C ATOM 1402 CG ASP A 97 25.596 8.756 -4.831 1.00 0.00 C ATOM 1403 OD1 ASP A 97 26.669 9.333 -4.779 1.00 0.00 O ATOM 1404 OD2 ASP A 97 24.531 9.266 -4.525 1.00 0.00 O ATOM 0 H ASP A 97 27.670 8.223 -3.876 1.00 0.00 H new ATOM 0 HA ASP A 97 26.251 5.627 -4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 97 25.742 7.265 -6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 97 24.612 6.857 -5.107 1.00 0.00 H new ATOM 1409 N ASN A 98 27.470 4.970 -6.281 1.00 0.00 N ATOM 1410 CA ASN A 98 28.404 4.454 -7.275 1.00 0.00 C ATOM 1411 C ASN A 98 28.121 5.073 -8.640 1.00 0.00 C ATOM 1412 O ASN A 98 27.008 5.530 -8.904 1.00 0.00 O ATOM 1413 CB ASN A 98 28.282 2.930 -7.369 1.00 0.00 C ATOM 1414 CG ASN A 98 27.656 2.375 -6.094 1.00 0.00 C ATOM 1415 OD1 ASN A 98 28.304 1.633 -5.355 1.00 0.00 O ATOM 1416 ND2 ASN A 98 26.426 2.689 -5.790 1.00 0.00 N ATOM 0 H ASN A 98 26.620 4.417 -6.168 1.00 0.00 H new ATOM 0 HA ASN A 98 29.416 4.717 -6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 98 27.672 2.659 -8.231 1.00 0.00 H new ATOM 0 HB3 ASN A 98 29.266 2.487 -7.523 1.00 0.00 H new ATOM 0 HD21 ASN A 98 26.001 2.320 -4.940 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.890 3.304 -6.403 1.00 0.00 H new ATOM 1423 N LYS A 99 29.132 5.091 -9.501 1.00 0.00 N ATOM 1424 CA LYS A 99 28.969 5.663 -10.832 1.00 0.00 C ATOM 1425 C LYS A 99 28.604 4.580 -11.846 1.00 0.00 C ATOM 1426 O LYS A 99 28.272 4.877 -12.993 1.00 0.00 O ATOM 1427 CB LYS A 99 30.258 6.383 -11.253 1.00 0.00 C ATOM 1428 CG LYS A 99 30.994 5.571 -12.322 1.00 0.00 C ATOM 1429 CD LYS A 99 32.413 6.117 -12.494 1.00 0.00 C ATOM 1430 CE LYS A 99 33.333 5.496 -11.442 1.00 0.00 C ATOM 1431 NZ LYS A 99 34.420 6.458 -11.100 1.00 0.00 N ATOM 0 H LYS A 99 30.062 4.721 -9.305 1.00 0.00 H new ATOM 0 HA LYS A 99 28.154 6.386 -10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 99 30.020 7.374 -11.639 1.00 0.00 H new ATOM 0 HB3 LYS A 99 30.903 6.525 -10.386 1.00 0.00 H new ATOM 0 HG2 LYS A 99 31.030 4.520 -12.034 1.00 0.00 H new ATOM 0 HG3 LYS A 99 30.456 5.624 -13.268 1.00 0.00 H new ATOM 0 HD2 LYS A 99 32.782 5.890 -13.494 1.00 0.00 H new ATOM 0 HD3 LYS A 99 32.410 7.202 -12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 99 32.762 5.243 -10.548 1.00 0.00 H new ATOM 0 HE3 LYS A 99 33.761 4.567 -11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 35.045 6.035 -10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 34.970 6.678 -11.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 34.003 7.333 -10.722 1.00 0.00 H new ATOM 1445 N ASP A 100 28.658 3.326 -11.415 1.00 0.00 N ATOM 1446 CA ASP A 100 28.318 2.223 -12.304 1.00 0.00 C ATOM 1447 C ASP A 100 27.053 2.570 -13.076 1.00 0.00 C ATOM 1448 O ASP A 100 26.755 1.978 -14.113 1.00 0.00 O ATOM 1449 CB ASP A 100 28.092 0.943 -11.492 1.00 0.00 C ATOM 1450 CG ASP A 100 29.426 0.394 -11.000 1.00 0.00 C ATOM 1451 OD1 ASP A 100 30.388 0.476 -11.745 1.00 0.00 O ATOM 1452 OD2 ASP A 100 29.467 -0.101 -9.885 1.00 0.00 O ATOM 0 H ASP A 100 28.929 3.050 -10.471 1.00 0.00 H new ATOM 0 HA ASP A 100 29.139 2.058 -13.001 1.00 0.00 H new ATOM 0 HB2 ASP A 100 27.440 1.151 -10.644 1.00 0.00 H new ATOM 0 HB3 ASP A 100 27.587 0.197 -12.106 1.00 0.00 H new ATOM 1457 N ASP A 101 26.319 3.546 -12.551 1.00 0.00 N ATOM 1458 CA ASP A 101 25.080 3.995 -13.169 1.00 0.00 C ATOM 1459 C ASP A 101 25.337 4.548 -14.567 1.00 0.00 C ATOM 1460 O ASP A 101 24.778 4.061 -15.550 1.00 0.00 O ATOM 1461 CB ASP A 101 24.449 5.085 -12.300 1.00 0.00 C ATOM 1462 CG ASP A 101 23.046 4.669 -11.867 1.00 0.00 C ATOM 1463 OD1 ASP A 101 22.301 4.200 -12.711 1.00 0.00 O ATOM 1464 OD2 ASP A 101 22.738 4.827 -10.697 1.00 0.00 O ATOM 0 H ASP A 101 26.564 4.042 -11.694 1.00 0.00 H new ATOM 0 HA ASP A 101 24.405 3.143 -13.253 1.00 0.00 H new ATOM 0 HB2 ASP A 101 25.070 5.265 -11.422 1.00 0.00 H new ATOM 0 HB3 ASP A 101 24.403 6.022 -12.855 1.00 0.00 H new ATOM 1469 N LEU A 102 26.179 5.572 -14.648 1.00 0.00 N ATOM 1470 CA LEU A 102 26.489 6.187 -15.932 1.00 0.00 C ATOM 1471 C LEU A 102 27.505 5.369 -16.700 1.00 0.00 C ATOM 1472 O LEU A 102 27.454 5.311 -17.913 1.00 0.00 O ATOM 1473 CB LEU A 102 27.065 7.587 -15.738 1.00 0.00 C ATOM 1474 CG LEU A 102 28.383 7.482 -14.960 1.00 0.00 C ATOM 1475 CD1 LEU A 102 29.549 7.199 -15.919 1.00 0.00 C ATOM 1476 CD2 LEU A 102 28.645 8.793 -14.219 1.00 0.00 C ATOM 0 H LEU A 102 26.655 5.990 -13.848 1.00 0.00 H new ATOM 0 HA LEU A 102 25.555 6.238 -16.492 1.00 0.00 H new ATOM 0 HB2 LEU A 102 27.235 8.061 -16.705 1.00 0.00 H new ATOM 0 HB3 LEU A 102 26.357 8.214 -15.196 1.00 0.00 H new ATOM 0 HG LEU A 102 28.304 6.663 -14.246 1.00 0.00 H new ATOM 0 HD11 LEU A 102 30.477 7.127 -15.352 1.00 0.00 H new ATOM 0 HD12 LEU A 102 29.370 6.260 -16.442 1.00 0.00 H new ATOM 0 HD13 LEU A 102 29.628 8.009 -16.644 1.00 0.00 H new ATOM 0 HD21 LEU A 102 29.582 8.718 -13.666 1.00 0.00 H new ATOM 0 HD22 LEU A 102 28.712 9.610 -14.938 1.00 0.00 H new ATOM 0 HD23 LEU A 102 27.828 8.988 -13.524 1.00 0.00 H new ATOM 1488 N GLN A 103 28.436 4.749 -15.998 1.00 0.00 N ATOM 1489 CA GLN A 103 29.455 3.963 -16.669 1.00 0.00 C ATOM 1490 C GLN A 103 28.803 2.821 -17.403 1.00 0.00 C ATOM 1491 O GLN A 103 29.168 2.480 -18.530 1.00 0.00 O ATOM 1492 CB GLN A 103 30.459 3.437 -15.646 1.00 0.00 C ATOM 1493 CG GLN A 103 31.877 3.824 -16.072 1.00 0.00 C ATOM 1494 CD GLN A 103 32.892 3.227 -15.104 1.00 0.00 C ATOM 1495 OE1 GLN A 103 33.866 2.605 -15.529 1.00 0.00 O ATOM 1496 NE2 GLN A 103 32.723 3.382 -13.820 1.00 0.00 N ATOM 0 H GLN A 103 28.508 4.773 -14.981 1.00 0.00 H new ATOM 0 HA GLN A 103 29.986 4.588 -17.387 1.00 0.00 H new ATOM 0 HB2 GLN A 103 30.239 3.849 -14.661 1.00 0.00 H new ATOM 0 HB3 GLN A 103 30.376 2.353 -15.564 1.00 0.00 H new ATOM 0 HG2 GLN A 103 32.072 3.467 -17.083 1.00 0.00 H new ATOM 0 HG3 GLN A 103 31.976 4.909 -16.093 1.00 0.00 H new ATOM 0 HE21 GLN A 103 31.915 3.898 -13.470 1.00 0.00 H new ATOM 0 HE22 GLN A 103 33.399 2.988 -13.165 1.00 0.00 H new ATOM 1505 N ALA A 104 27.825 2.246 -16.749 1.00 0.00 N ATOM 1506 CA ALA A 104 27.095 1.141 -17.309 1.00 0.00 C ATOM 1507 C ALA A 104 26.060 1.628 -18.316 1.00 0.00 C ATOM 1508 O ALA A 104 26.072 1.216 -19.474 1.00 0.00 O ATOM 1509 CB ALA A 104 26.417 0.380 -16.180 1.00 0.00 C ATOM 0 H ALA A 104 27.515 2.530 -15.819 1.00 0.00 H new ATOM 0 HA ALA A 104 27.786 0.483 -17.836 1.00 0.00 H new ATOM 0 HB1 ALA A 104 25.859 -0.461 -16.592 1.00 0.00 H new ATOM 0 HB2 ALA A 104 27.172 0.010 -15.486 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.733 1.045 -15.652 1.00 0.00 H new ATOM 1515 N ALA A 105 25.172 2.511 -17.876 1.00 0.00 N ATOM 1516 CA ALA A 105 24.150 3.044 -18.767 1.00 0.00 C ATOM 1517 C ALA A 105 24.803 3.612 -20.022 1.00 0.00 C ATOM 1518 O ALA A 105 24.347 3.373 -21.143 1.00 0.00 O ATOM 1519 CB ALA A 105 23.362 4.144 -18.052 1.00 0.00 C ATOM 0 H ALA A 105 25.138 2.869 -16.921 1.00 0.00 H new ATOM 0 HA ALA A 105 23.469 2.241 -19.050 1.00 0.00 H new ATOM 0 HB1 ALA A 105 22.599 4.539 -18.722 1.00 0.00 H new ATOM 0 HB2 ALA A 105 22.885 3.731 -17.163 1.00 0.00 H new ATOM 0 HB3 ALA A 105 24.040 4.946 -17.760 1.00 0.00 H new ATOM 1525 N ILE A 106 25.881 4.360 -19.816 1.00 0.00 N ATOM 1526 CA ILE A 106 26.613 4.966 -20.919 1.00 0.00 C ATOM 1527 C ILE A 106 27.236 3.916 -21.810 1.00 0.00 C ATOM 1528 O ILE A 106 27.058 3.941 -23.015 1.00 0.00 O ATOM 1529 CB ILE A 106 27.734 5.836 -20.404 1.00 0.00 C ATOM 1530 CG1 ILE A 106 27.163 7.027 -19.630 1.00 0.00 C ATOM 1531 CG2 ILE A 106 28.554 6.338 -21.591 1.00 0.00 C ATOM 1532 CD1 ILE A 106 26.821 8.151 -20.608 1.00 0.00 C ATOM 0 H ILE A 106 26.267 4.561 -18.893 1.00 0.00 H new ATOM 0 HA ILE A 106 25.892 5.558 -21.483 1.00 0.00 H new ATOM 0 HB ILE A 106 28.368 5.256 -19.733 1.00 0.00 H new ATOM 0 HG12 ILE A 106 26.272 6.724 -19.081 1.00 0.00 H new ATOM 0 HG13 ILE A 106 27.887 7.378 -18.894 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.367 6.968 -21.231 1.00 0.00 H new ATOM 0 HG22 ILE A 106 28.967 5.488 -22.134 1.00 0.00 H new ATOM 0 HG23 ILE A 106 27.914 6.917 -22.257 1.00 0.00 H new ATOM 0 HD11 ILE A 106 26.414 9.000 -20.059 1.00 0.00 H new ATOM 0 HD12 ILE A 106 27.722 8.460 -21.137 1.00 0.00 H new ATOM 0 HD13 ILE A 106 26.082 7.796 -21.326 1.00 0.00 H new ATOM 1544 N ALA A 107 27.996 3.012 -21.210 1.00 0.00 N ATOM 1545 CA ALA A 107 28.666 1.974 -21.975 1.00 0.00 C ATOM 1546 C ALA A 107 27.658 1.167 -22.780 1.00 0.00 C ATOM 1547 O ALA A 107 27.826 0.963 -23.980 1.00 0.00 O ATOM 1548 CB ALA A 107 29.429 1.052 -21.031 1.00 0.00 C ATOM 0 H ALA A 107 28.163 2.977 -20.204 1.00 0.00 H new ATOM 0 HA ALA A 107 29.364 2.446 -22.666 1.00 0.00 H new ATOM 0 HB1 ALA A 107 29.930 0.275 -21.608 1.00 0.00 H new ATOM 0 HB2 ALA A 107 30.171 1.629 -20.479 1.00 0.00 H new ATOM 0 HB3 ALA A 107 28.733 0.592 -20.330 1.00 0.00 H new ATOM 1554 N LEU A 108 26.614 0.712 -22.109 1.00 0.00 N ATOM 1555 CA LEU A 108 25.579 -0.075 -22.760 1.00 0.00 C ATOM 1556 C LEU A 108 24.991 0.679 -23.951 1.00 0.00 C ATOM 1557 O LEU A 108 24.817 0.114 -25.030 1.00 0.00 O ATOM 1558 CB LEU A 108 24.474 -0.390 -21.754 1.00 0.00 C ATOM 1559 CG LEU A 108 24.089 -1.868 -21.856 1.00 0.00 C ATOM 1560 CD1 LEU A 108 23.864 -2.243 -23.324 1.00 0.00 C ATOM 1561 CD2 LEU A 108 25.214 -2.729 -21.280 1.00 0.00 C ATOM 0 H LEU A 108 26.460 0.874 -21.114 1.00 0.00 H new ATOM 0 HA LEU A 108 26.023 -1.001 -23.125 1.00 0.00 H new ATOM 0 HB2 LEU A 108 24.813 -0.162 -20.744 1.00 0.00 H new ATOM 0 HB3 LEU A 108 23.603 0.237 -21.947 1.00 0.00 H new ATOM 0 HG LEU A 108 23.171 -2.040 -21.293 1.00 0.00 H new ATOM 0 HD11 LEU A 108 23.590 -3.296 -23.393 1.00 0.00 H new ATOM 0 HD12 LEU A 108 23.062 -1.632 -23.737 1.00 0.00 H new ATOM 0 HD13 LEU A 108 24.780 -2.069 -23.889 1.00 0.00 H new ATOM 0 HD21 LEU A 108 24.940 -3.782 -21.352 1.00 0.00 H new ATOM 0 HD22 LEU A 108 26.131 -2.553 -21.842 1.00 0.00 H new ATOM 0 HD23 LEU A 108 25.374 -2.467 -20.234 1.00 0.00 H new ATOM 1573 N SER A 109 24.678 1.954 -23.744 1.00 0.00 N ATOM 1574 CA SER A 109 24.101 2.771 -24.805 1.00 0.00 C ATOM 1575 C SER A 109 25.178 3.278 -25.756 1.00 0.00 C ATOM 1576 O SER A 109 24.885 3.725 -26.864 1.00 0.00 O ATOM 1577 CB SER A 109 23.367 3.959 -24.192 1.00 0.00 C ATOM 1578 OG SER A 109 21.982 3.866 -24.498 1.00 0.00 O ATOM 0 H SER A 109 24.813 2.441 -22.858 1.00 0.00 H new ATOM 0 HA SER A 109 23.405 2.153 -25.372 1.00 0.00 H new ATOM 0 HB2 SER A 109 23.512 3.972 -23.112 1.00 0.00 H new ATOM 0 HB3 SER A 109 23.775 4.892 -24.580 1.00 0.00 H new ATOM 0 HG SER A 109 21.508 4.628 -24.104 1.00 0.00 H new ATOM 1584 N LEU A 110 26.418 3.215 -25.306 1.00 0.00 N ATOM 1585 CA LEU A 110 27.540 3.679 -26.112 1.00 0.00 C ATOM 1586 C LEU A 110 28.070 2.527 -26.961 1.00 0.00 C ATOM 1587 O LEU A 110 28.825 2.729 -27.911 1.00 0.00 O ATOM 1588 CB LEU A 110 28.642 4.248 -25.193 1.00 0.00 C ATOM 1589 CG LEU A 110 29.806 4.830 -26.014 1.00 0.00 C ATOM 1590 CD1 LEU A 110 30.721 3.704 -26.504 1.00 0.00 C ATOM 1591 CD2 LEU A 110 29.268 5.614 -27.216 1.00 0.00 C ATOM 0 H LEU A 110 26.676 2.849 -24.390 1.00 0.00 H new ATOM 0 HA LEU A 110 27.211 4.475 -26.781 1.00 0.00 H new ATOM 0 HB2 LEU A 110 28.221 5.024 -24.553 1.00 0.00 H new ATOM 0 HB3 LEU A 110 29.014 3.461 -24.537 1.00 0.00 H new ATOM 0 HG LEU A 110 30.377 5.504 -25.375 1.00 0.00 H new ATOM 0 HD11 LEU A 110 31.541 4.128 -27.084 1.00 0.00 H new ATOM 0 HD12 LEU A 110 31.124 3.164 -25.647 1.00 0.00 H new ATOM 0 HD13 LEU A 110 30.151 3.018 -27.130 1.00 0.00 H new ATOM 0 HD21 LEU A 110 30.102 6.020 -27.788 1.00 0.00 H new ATOM 0 HD22 LEU A 110 28.682 4.950 -27.851 1.00 0.00 H new ATOM 0 HD23 LEU A 110 28.637 6.430 -26.865 1.00 0.00 H new ATOM 1603 N LEU A 111 27.646 1.317 -26.615 1.00 0.00 N ATOM 1604 CA LEU A 111 28.060 0.122 -27.347 1.00 0.00 C ATOM 1605 C LEU A 111 27.058 -0.197 -28.449 1.00 0.00 C ATOM 1606 O LEU A 111 27.360 -0.931 -29.390 1.00 0.00 O ATOM 1607 CB LEU A 111 28.158 -1.065 -26.393 1.00 0.00 C ATOM 1608 CG LEU A 111 29.489 -1.784 -26.609 1.00 0.00 C ATOM 1609 CD1 LEU A 111 29.557 -2.318 -28.041 1.00 0.00 C ATOM 1610 CD2 LEU A 111 30.648 -0.811 -26.370 1.00 0.00 C ATOM 0 H LEU A 111 27.016 1.136 -25.833 1.00 0.00 H new ATOM 0 HA LEU A 111 29.036 0.311 -27.795 1.00 0.00 H new ATOM 0 HB2 LEU A 111 28.081 -0.723 -25.361 1.00 0.00 H new ATOM 0 HB3 LEU A 111 27.329 -1.752 -26.564 1.00 0.00 H new ATOM 0 HG LEU A 111 29.566 -2.615 -25.908 1.00 0.00 H new ATOM 0 HD11 LEU A 111 30.507 -2.830 -28.193 1.00 0.00 H new ATOM 0 HD12 LEU A 111 28.737 -3.016 -28.208 1.00 0.00 H new ATOM 0 HD13 LEU A 111 29.476 -1.488 -28.743 1.00 0.00 H new ATOM 0 HD21 LEU A 111 31.595 -1.328 -26.525 1.00 0.00 H new ATOM 0 HD22 LEU A 111 30.572 0.024 -27.067 1.00 0.00 H new ATOM 0 HD23 LEU A 111 30.603 -0.435 -25.348 1.00 0.00 H new ATOM 1622 N GLU A 112 25.865 0.360 -28.312 1.00 0.00 N ATOM 1623 CA GLU A 112 24.803 0.135 -29.289 1.00 0.00 C ATOM 1624 C GLU A 112 24.935 1.089 -30.466 1.00 0.00 C ATOM 1625 O GLU A 112 24.623 0.742 -31.604 1.00 0.00 O ATOM 1626 CB GLU A 112 23.437 0.328 -28.629 1.00 0.00 C ATOM 1627 CG GLU A 112 23.030 -0.954 -27.897 1.00 0.00 C ATOM 1628 CD GLU A 112 21.690 -0.750 -27.197 1.00 0.00 C ATOM 1629 OE1 GLU A 112 20.771 -0.276 -27.847 1.00 0.00 O ATOM 1630 OE2 GLU A 112 21.602 -1.070 -26.024 1.00 0.00 O ATOM 0 H GLU A 112 25.605 0.970 -27.537 1.00 0.00 H new ATOM 0 HA GLU A 112 24.892 -0.887 -29.657 1.00 0.00 H new ATOM 0 HB2 GLU A 112 23.476 1.162 -27.928 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.691 0.580 -29.383 1.00 0.00 H new ATOM 0 HG2 GLU A 112 22.958 -1.780 -28.605 1.00 0.00 H new ATOM 0 HG3 GLU A 112 23.794 -1.225 -27.168 1.00 0.00 H new ATOM 1637 N SER A 113 25.399 2.291 -30.177 1.00 0.00 N ATOM 1638 CA SER A 113 25.570 3.306 -31.212 1.00 0.00 C ATOM 1639 C SER A 113 26.386 2.751 -32.376 1.00 0.00 C ATOM 1640 O SER A 113 25.938 2.768 -33.522 1.00 0.00 O ATOM 1641 CB SER A 113 26.268 4.535 -30.630 1.00 0.00 C ATOM 1642 OG SER A 113 27.377 4.879 -31.448 1.00 0.00 O ATOM 0 H SER A 113 25.665 2.592 -29.239 1.00 0.00 H new ATOM 0 HA SER A 113 24.585 3.593 -31.580 1.00 0.00 H new ATOM 0 HB2 SER A 113 25.570 5.371 -30.574 1.00 0.00 H new ATOM 0 HB3 SER A 113 26.602 4.330 -29.613 1.00 0.00 H new ATOM 0 HG SER A 113 27.825 5.668 -31.077 1.00 0.00 H new ATOM 1648 N PRO A 114 27.564 2.259 -32.099 1.00 0.00 N ATOM 1649 CA PRO A 114 28.458 1.684 -33.140 1.00 0.00 C ATOM 1650 C PRO A 114 27.692 0.796 -34.118 1.00 0.00 C ATOM 1651 O PRO A 114 26.669 0.211 -33.764 1.00 0.00 O ATOM 1652 CB PRO A 114 29.466 0.864 -32.333 1.00 0.00 C ATOM 1653 CG PRO A 114 29.511 1.496 -30.980 1.00 0.00 C ATOM 1654 CD PRO A 114 28.170 2.201 -30.761 1.00 0.00 C ATOM 0 HA PRO A 114 28.924 2.452 -33.757 1.00 0.00 H new ATOM 0 HB2 PRO A 114 29.159 -0.180 -32.267 1.00 0.00 H new ATOM 0 HB3 PRO A 114 30.449 0.878 -32.804 1.00 0.00 H new ATOM 0 HG2 PRO A 114 29.679 0.743 -30.210 1.00 0.00 H new ATOM 0 HG3 PRO A 114 30.334 2.208 -30.916 1.00 0.00 H new ATOM 0 HD2 PRO A 114 27.540 1.649 -30.063 1.00 0.00 H new ATOM 0 HD3 PRO A 114 28.309 3.199 -30.344 1.00 0.00 H new ATOM 1662 N LYS A 115 28.191 0.696 -35.344 1.00 0.00 N ATOM 1663 CA LYS A 115 27.538 -0.129 -36.352 1.00 0.00 C ATOM 1664 C LYS A 115 28.268 -1.459 -36.499 1.00 0.00 C ATOM 1665 O LYS A 115 29.026 -1.859 -35.615 1.00 0.00 O ATOM 1666 CB LYS A 115 27.513 0.601 -37.699 1.00 0.00 C ATOM 1667 CG LYS A 115 28.883 1.225 -37.967 1.00 0.00 C ATOM 1668 CD LYS A 115 28.934 2.623 -37.350 1.00 0.00 C ATOM 1669 CE LYS A 115 30.296 2.844 -36.690 1.00 0.00 C ATOM 1670 NZ LYS A 115 31.336 3.015 -37.743 1.00 0.00 N ATOM 0 H LYS A 115 29.036 1.170 -35.662 1.00 0.00 H new ATOM 0 HA LYS A 115 26.513 -0.320 -36.033 1.00 0.00 H new ATOM 0 HB2 LYS A 115 27.256 -0.095 -38.497 1.00 0.00 H new ATOM 0 HB3 LYS A 115 26.745 1.374 -37.691 1.00 0.00 H new ATOM 0 HG2 LYS A 115 29.669 0.600 -37.543 1.00 0.00 H new ATOM 0 HG3 LYS A 115 29.065 1.282 -39.040 1.00 0.00 H new ATOM 0 HD2 LYS A 115 28.765 3.377 -38.119 1.00 0.00 H new ATOM 0 HD3 LYS A 115 28.139 2.735 -36.613 1.00 0.00 H new ATOM 0 HE2 LYS A 115 30.263 3.726 -36.050 1.00 0.00 H new ATOM 0 HE3 LYS A 115 30.545 1.996 -36.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 32.262 3.165 -37.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 31.373 2.162 -38.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 31.100 3.838 -38.334 1.00 0.00 H new ATOM 1684 N ILE A 116 28.038 -2.141 -37.615 1.00 0.00 N ATOM 1685 CA ILE A 116 28.686 -3.425 -37.855 1.00 0.00 C ATOM 1686 C ILE A 116 29.362 -3.443 -39.223 1.00 0.00 C ATOM 1687 O ILE A 116 29.944 -2.446 -39.649 1.00 0.00 O ATOM 1688 CB ILE A 116 27.654 -4.552 -37.779 1.00 0.00 C ATOM 1689 CG1 ILE A 116 26.765 -4.346 -36.550 1.00 0.00 C ATOM 1690 CG2 ILE A 116 28.373 -5.897 -37.665 1.00 0.00 C ATOM 1691 CD1 ILE A 116 25.737 -5.477 -36.468 1.00 0.00 C ATOM 0 H ILE A 116 27.415 -1.831 -38.361 1.00 0.00 H new ATOM 0 HA ILE A 116 29.446 -3.574 -37.088 1.00 0.00 H new ATOM 0 HB ILE A 116 27.040 -4.543 -38.680 1.00 0.00 H new ATOM 0 HG12 ILE A 116 27.374 -4.328 -35.646 1.00 0.00 H new ATOM 0 HG13 ILE A 116 26.258 -3.383 -36.612 1.00 0.00 H new ATOM 0 HG21 ILE A 116 27.637 -6.699 -37.611 1.00 0.00 H new ATOM 0 HG22 ILE A 116 29.008 -6.045 -38.538 1.00 0.00 H new ATOM 0 HG23 ILE A 116 28.987 -5.906 -36.764 1.00 0.00 H new ATOM 0 HD11 ILE A 116 25.104 -5.330 -35.593 1.00 0.00 H new ATOM 0 HD12 ILE A 116 25.120 -5.474 -37.367 1.00 0.00 H new ATOM 0 HD13 ILE A 116 26.254 -6.433 -36.386 1.00 0.00 H new ATOM 1703 N GLN A 117 29.280 -4.581 -39.904 1.00 0.00 N ATOM 1704 CA GLN A 117 29.888 -4.716 -41.222 1.00 0.00 C ATOM 1705 C GLN A 117 29.002 -4.079 -42.289 1.00 0.00 C ATOM 1706 O GLN A 117 28.287 -4.772 -43.015 1.00 0.00 O ATOM 1707 CB GLN A 117 30.110 -6.196 -41.546 1.00 0.00 C ATOM 1708 CG GLN A 117 31.496 -6.382 -42.165 1.00 0.00 C ATOM 1709 CD GLN A 117 32.554 -6.418 -41.068 1.00 0.00 C ATOM 1710 OE1 GLN A 117 32.958 -5.372 -40.559 1.00 0.00 O ATOM 1711 NE2 GLN A 117 33.030 -7.567 -40.670 1.00 0.00 N ATOM 0 H GLN A 117 28.802 -5.417 -39.568 1.00 0.00 H new ATOM 0 HA GLN A 117 30.849 -4.201 -41.215 1.00 0.00 H new ATOM 0 HB2 GLN A 117 30.022 -6.795 -40.639 1.00 0.00 H new ATOM 0 HB3 GLN A 117 29.342 -6.547 -42.236 1.00 0.00 H new ATOM 0 HG2 GLN A 117 31.525 -7.307 -42.741 1.00 0.00 H new ATOM 0 HG3 GLN A 117 31.706 -5.568 -42.858 1.00 0.00 H new ATOM 0 HE21 GLN A 117 32.694 -8.432 -41.093 1.00 0.00 H new ATOM 0 HE22 GLN A 117 33.738 -7.599 -39.936 1.00 0.00 H new ATOM 1720 N ALA A 118 29.053 -2.754 -42.377 1.00 0.00 N ATOM 1721 CA ALA A 118 28.249 -2.029 -43.358 1.00 0.00 C ATOM 1722 C ALA A 118 29.142 -1.368 -44.403 1.00 0.00 C ATOM 1723 O ALA A 118 30.365 -1.355 -44.269 1.00 0.00 O ATOM 1724 CB ALA A 118 27.409 -0.962 -42.654 1.00 0.00 C ATOM 0 H ALA A 118 29.638 -2.163 -41.786 1.00 0.00 H new ATOM 0 HA ALA A 118 27.592 -2.740 -43.858 1.00 0.00 H new ATOM 0 HB1 ALA A 118 26.812 -0.425 -43.391 1.00 0.00 H new ATOM 0 HB2 ALA A 118 26.749 -1.438 -41.929 1.00 0.00 H new ATOM 0 HB3 ALA A 118 28.067 -0.262 -42.140 1.00 0.00 H new ATOM 1730 N ASP A 119 28.521 -0.819 -45.442 1.00 0.00 N ATOM 1731 CA ASP A 119 29.268 -0.158 -46.506 1.00 0.00 C ATOM 1732 C ASP A 119 29.284 1.353 -46.291 1.00 0.00 C ATOM 1733 O ASP A 119 30.348 1.966 -46.202 1.00 0.00 O ATOM 1734 CB ASP A 119 28.638 -0.479 -47.862 1.00 0.00 C ATOM 1735 CG ASP A 119 29.704 -0.449 -48.952 1.00 0.00 C ATOM 1736 OD1 ASP A 119 30.600 0.372 -48.854 1.00 0.00 O ATOM 1737 OD2 ASP A 119 29.609 -1.249 -49.868 1.00 0.00 O ATOM 0 H ASP A 119 27.509 -0.818 -45.570 1.00 0.00 H new ATOM 0 HA ASP A 119 30.294 -0.525 -46.488 1.00 0.00 H new ATOM 0 HB2 ASP A 119 28.166 -1.461 -47.830 1.00 0.00 H new ATOM 0 HB3 ASP A 119 27.854 0.244 -48.088 1.00 0.00 H new ATOM 1742 N GLY A 120 28.098 1.946 -46.211 1.00 0.00 N ATOM 1743 CA GLY A 120 27.986 3.386 -46.007 1.00 0.00 C ATOM 1744 C GLY A 120 26.731 3.935 -46.677 1.00 0.00 C ATOM 1745 O GLY A 120 26.714 4.001 -47.895 1.00 0.00 O ATOM 0 H GLY A 120 27.206 1.456 -46.284 1.00 0.00 H new ATOM 0 HA2 GLY A 120 27.959 3.605 -44.940 1.00 0.00 H new ATOM 0 HA3 GLY A 120 28.867 3.884 -46.412 1.00 0.00 H new TER 1749 GLY A 120