USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=20 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 67 SER OG : rot 180:sc= -0.615! USER MOD Set 1.2: A 68 GLN : amide:sc= -4.68! C(o=-5.3!,f=-7.4!) USER MOD Set 2.1: A 41 HIS : no HD1:sc= -6.4! C(o=-6.4!,f=-12!) USER MOD Set 2.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.192 (180deg=-0.429!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.873 K(o=-0.87,f=-2.3!) USER MOD Single : A 7 GLN : amide:sc= -1.81! K(o=-1.8!,f=-0.08) USER MOD Single : A 17 HIS : no HD1:sc= -0.91 K(o=-0.91,f=-2.6!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.199 USER MOD Single : A 21 CYS SG : rot 55:sc= 0.228 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -3.38! K(o=-3.4!,f=-0.59) USER MOD Single : A 27 GLN : amide:sc= -0.586 K(o=-0.59,f=-4.5!) USER MOD Single : A 32 THR OG1 : rot -90:sc= -0.889! USER MOD Single : A 35 GLN : amide:sc= -0.0803 X(o=-0.08,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 140:sc= -0.186 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.311 K(o=-0.31,f=1.2) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 15:sc= 0.927! USER MOD Single : A 64 LYS NZ :NH3+ -156:sc= -0.278 (180deg=-1.39!) USER MOD Single : A 70 THR OG1 : rot -76:sc= 1.11 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -109:sc= -0.801! USER MOD Single : A 81 SER OG : rot 180:sc= 0.00928 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 96 HIS : no HD1:sc= -4.96! C(o=-5!,f=-11!) USER MOD Single : A 98 ASN : amide:sc= -5.91! C(o=-5.9!,f=-4.2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.0626 K(o=-0.063,f=-1.9!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc=-0.00903 X(o=-0.009,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.168 0.302 39.199 1.00 0.00 N ATOM 2 CA MET A 1 -13.165 0.149 37.716 1.00 0.00 C ATOM 3 C MET A 1 -14.580 0.348 37.184 1.00 0.00 C ATOM 4 O MET A 1 -15.449 0.866 37.885 1.00 0.00 O ATOM 5 CB MET A 1 -12.660 -1.249 37.351 1.00 0.00 C ATOM 6 CG MET A 1 -11.566 -1.665 38.334 1.00 0.00 C ATOM 7 SD MET A 1 -10.230 -0.444 38.300 1.00 0.00 S ATOM 8 CE MET A 1 -8.931 -1.544 37.690 1.00 0.00 C ATOM 0 H1 MET A 1 -12.189 0.319 39.548 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.642 1.191 39.455 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.675 -0.497 39.629 1.00 0.00 H new ATOM 0 HA MET A 1 -12.507 0.895 37.269 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.482 -1.964 37.381 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.271 -1.253 36.333 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.977 -1.743 39.341 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.180 -2.650 38.070 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.999 -0.987 37.592 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.791 -2.366 38.392 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.219 -1.943 36.718 1.00 0.00 H new ATOM 18 N THR A 2 -14.805 -0.067 35.943 1.00 0.00 N ATOM 19 CA THR A 2 -16.121 0.070 35.330 1.00 0.00 C ATOM 20 C THR A 2 -16.681 -1.296 34.954 1.00 0.00 C ATOM 21 O THR A 2 -16.383 -1.820 33.882 1.00 0.00 O ATOM 22 CB THR A 2 -16.027 0.946 34.080 1.00 0.00 C ATOM 23 OG1 THR A 2 -14.986 1.900 34.249 1.00 0.00 O ATOM 24 CG2 THR A 2 -17.356 1.671 33.858 1.00 0.00 C ATOM 0 H THR A 2 -14.100 -0.498 35.345 1.00 0.00 H new ATOM 0 HA THR A 2 -16.790 0.539 36.052 1.00 0.00 H new ATOM 0 HB THR A 2 -15.810 0.320 33.214 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.923 2.461 33.448 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.286 2.294 32.967 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.153 0.939 33.727 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.578 2.297 34.722 1.00 0.00 H new ATOM 32 N ALA A 3 -17.491 -1.859 35.850 1.00 0.00 N ATOM 33 CA ALA A 3 -18.102 -3.169 35.626 1.00 0.00 C ATOM 34 C ALA A 3 -18.019 -3.577 34.160 1.00 0.00 C ATOM 35 O ALA A 3 -16.953 -3.940 33.664 1.00 0.00 O ATOM 36 CB ALA A 3 -19.566 -3.135 36.066 1.00 0.00 C ATOM 0 H ALA A 3 -17.740 -1.427 36.740 1.00 0.00 H new ATOM 0 HA ALA A 3 -17.553 -3.904 36.215 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -20.019 -4.112 35.898 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -19.622 -2.886 37.126 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -20.102 -2.382 35.488 1.00 0.00 H new ATOM 42 N GLU A 4 -19.152 -3.517 33.476 1.00 0.00 N ATOM 43 CA GLU A 4 -19.201 -3.882 32.065 1.00 0.00 C ATOM 44 C GLU A 4 -19.479 -2.656 31.204 1.00 0.00 C ATOM 45 O GLU A 4 -19.861 -1.600 31.712 1.00 0.00 O ATOM 46 CB GLU A 4 -20.288 -4.932 31.827 1.00 0.00 C ATOM 47 CG GLU A 4 -21.602 -4.462 32.451 1.00 0.00 C ATOM 48 CD GLU A 4 -22.318 -5.639 33.103 1.00 0.00 C ATOM 49 OE1 GLU A 4 -22.711 -6.542 32.383 1.00 0.00 O ATOM 50 OE2 GLU A 4 -22.463 -5.622 34.314 1.00 0.00 O ATOM 0 H GLU A 4 -20.045 -3.221 33.870 1.00 0.00 H new ATOM 0 HA GLU A 4 -18.232 -4.297 31.787 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -20.420 -5.097 30.758 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -19.988 -5.885 32.262 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -21.406 -3.688 33.193 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -22.239 -4.016 31.687 1.00 0.00 H new ATOM 57 N LEU A 5 -19.284 -2.801 29.899 1.00 0.00 N ATOM 58 CA LEU A 5 -19.516 -1.700 28.975 1.00 0.00 C ATOM 59 C LEU A 5 -20.905 -1.811 28.350 1.00 0.00 C ATOM 60 O LEU A 5 -21.899 -1.978 29.058 1.00 0.00 O ATOM 61 CB LEU A 5 -18.446 -1.707 27.882 1.00 0.00 C ATOM 62 CG LEU A 5 -17.074 -1.939 28.520 1.00 0.00 C ATOM 63 CD1 LEU A 5 -16.911 -1.014 29.728 1.00 0.00 C ATOM 64 CD2 LEU A 5 -16.962 -3.396 28.976 1.00 0.00 C ATOM 0 H LEU A 5 -18.968 -3.665 29.459 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.459 -0.761 29.526 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -18.658 -2.490 27.154 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -18.454 -0.760 27.343 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.293 -1.726 27.790 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.934 -1.178 30.183 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.991 0.024 29.405 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.692 -1.228 30.458 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.985 -3.561 29.430 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.742 -3.610 29.706 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.079 -4.056 28.117 1.00 0.00 H new ATOM 76 N GLN A 6 -20.971 -1.716 27.026 1.00 0.00 N ATOM 77 CA GLN A 6 -22.249 -1.806 26.330 1.00 0.00 C ATOM 78 C GLN A 6 -23.332 -1.071 27.114 1.00 0.00 C ATOM 79 O GLN A 6 -24.521 -1.353 26.965 1.00 0.00 O ATOM 80 CB GLN A 6 -22.650 -3.273 26.158 1.00 0.00 C ATOM 81 CG GLN A 6 -23.402 -3.442 24.837 1.00 0.00 C ATOM 82 CD GLN A 6 -24.257 -4.704 24.879 1.00 0.00 C ATOM 83 OE1 GLN A 6 -24.940 -4.959 25.871 1.00 0.00 O ATOM 84 NE2 GLN A 6 -24.259 -5.512 23.855 1.00 0.00 N ATOM 0 H GLN A 6 -20.163 -1.578 26.419 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.143 -1.343 25.349 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.764 -3.907 26.168 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -23.279 -3.590 26.990 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -24.033 -2.572 24.655 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -22.693 -3.501 24.011 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -23.692 -5.297 23.035 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -24.828 -6.358 23.874 1.00 0.00 H new ATOM 93 N GLN A 7 -22.910 -0.127 27.951 1.00 0.00 N ATOM 94 CA GLN A 7 -23.849 0.646 28.757 1.00 0.00 C ATOM 95 C GLN A 7 -24.862 1.359 27.866 1.00 0.00 C ATOM 96 O GLN A 7 -25.773 2.028 28.356 1.00 0.00 O ATOM 97 CB GLN A 7 -23.086 1.677 29.595 1.00 0.00 C ATOM 98 CG GLN A 7 -24.078 2.510 30.409 1.00 0.00 C ATOM 99 CD GLN A 7 -23.344 3.251 31.522 1.00 0.00 C ATOM 100 OE1 GLN A 7 -23.956 4.016 32.267 1.00 0.00 O ATOM 101 NE2 GLN A 7 -22.063 3.068 31.679 1.00 0.00 N ATOM 0 H GLN A 7 -21.930 0.120 28.088 1.00 0.00 H new ATOM 0 HA GLN A 7 -24.384 -0.037 29.417 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -22.386 1.173 30.261 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -22.498 2.325 28.946 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -24.586 3.223 29.760 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -24.845 1.864 30.835 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -21.559 2.433 31.060 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -21.565 3.559 32.421 1.00 0.00 H new ATOM 110 N ASP A 8 -24.698 1.209 26.556 1.00 0.00 N ATOM 111 CA ASP A 8 -25.606 1.841 25.606 1.00 0.00 C ATOM 112 C ASP A 8 -26.741 0.895 25.249 1.00 0.00 C ATOM 113 O ASP A 8 -27.790 1.312 24.761 1.00 0.00 O ATOM 114 CB ASP A 8 -24.845 2.228 24.339 1.00 0.00 C ATOM 115 CG ASP A 8 -24.259 3.627 24.492 1.00 0.00 C ATOM 116 OD1 ASP A 8 -24.964 4.579 24.199 1.00 0.00 O ATOM 117 OD2 ASP A 8 -23.113 3.727 24.899 1.00 0.00 O ATOM 0 H ASP A 8 -23.951 0.660 26.130 1.00 0.00 H new ATOM 0 HA ASP A 8 -26.023 2.736 26.066 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -24.048 1.509 24.149 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -25.514 2.197 23.479 1.00 0.00 H new ATOM 122 N ASP A 9 -26.514 -0.381 25.498 1.00 0.00 N ATOM 123 CA ASP A 9 -27.512 -1.401 25.207 1.00 0.00 C ATOM 124 C ASP A 9 -28.907 -0.901 25.547 1.00 0.00 C ATOM 125 O ASP A 9 -29.737 -0.678 24.665 1.00 0.00 O ATOM 126 CB ASP A 9 -27.215 -2.667 26.012 1.00 0.00 C ATOM 127 CG ASP A 9 -28.321 -3.693 25.795 1.00 0.00 C ATOM 128 OD1 ASP A 9 -28.889 -3.702 24.716 1.00 0.00 O ATOM 129 OD2 ASP A 9 -28.586 -4.453 26.713 1.00 0.00 O ATOM 0 H ASP A 9 -25.648 -0.739 25.901 1.00 0.00 H new ATOM 0 HA ASP A 9 -27.469 -1.627 24.142 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -26.255 -3.085 25.708 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -27.136 -2.424 27.072 1.00 0.00 H new ATOM 134 N ALA A 10 -29.152 -0.742 26.833 1.00 0.00 N ATOM 135 CA ALA A 10 -30.450 -0.278 27.312 1.00 0.00 C ATOM 136 C ALA A 10 -30.601 1.229 27.128 1.00 0.00 C ATOM 137 O ALA A 10 -31.422 1.861 27.792 1.00 0.00 O ATOM 138 CB ALA A 10 -30.614 -0.627 28.792 1.00 0.00 C ATOM 0 H ALA A 10 -28.471 -0.926 27.570 1.00 0.00 H new ATOM 0 HA ALA A 10 -31.222 -0.777 26.726 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -31.585 -0.278 29.143 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -30.549 -1.707 28.920 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -29.825 -0.145 29.369 1.00 0.00 H new ATOM 144 N ALA A 11 -29.813 1.800 26.224 1.00 0.00 N ATOM 145 CA ALA A 11 -29.887 3.234 25.970 1.00 0.00 C ATOM 146 C ALA A 11 -30.569 3.503 24.631 1.00 0.00 C ATOM 147 O ALA A 11 -31.790 3.404 24.516 1.00 0.00 O ATOM 148 CB ALA A 11 -28.483 3.844 25.972 1.00 0.00 C ATOM 0 H ALA A 11 -29.124 1.300 25.662 1.00 0.00 H new ATOM 0 HA ALA A 11 -30.476 3.696 26.763 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -28.551 4.915 25.781 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -28.015 3.677 26.942 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -27.881 3.375 25.194 1.00 0.00 H new ATOM 154 N GLY A 12 -29.774 3.844 23.622 1.00 0.00 N ATOM 155 CA GLY A 12 -30.317 4.124 22.299 1.00 0.00 C ATOM 156 C GLY A 12 -30.598 5.613 22.128 1.00 0.00 C ATOM 157 O GLY A 12 -31.497 6.161 22.765 1.00 0.00 O ATOM 0 H GLY A 12 -28.760 3.932 23.694 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -29.613 3.793 21.535 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -31.236 3.557 22.152 1.00 0.00 H new ATOM 161 N ALA A 13 -29.824 6.260 21.263 1.00 0.00 N ATOM 162 CA ALA A 13 -29.999 7.687 21.016 1.00 0.00 C ATOM 163 C ALA A 13 -30.570 7.919 19.620 1.00 0.00 C ATOM 164 O ALA A 13 -31.256 7.059 19.069 1.00 0.00 O ATOM 165 CB ALA A 13 -28.658 8.410 21.148 1.00 0.00 C ATOM 0 H ALA A 13 -29.075 5.824 20.725 1.00 0.00 H new ATOM 0 HA ALA A 13 -30.696 8.083 21.754 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -28.799 9.475 20.962 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -28.265 8.266 22.154 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -27.953 8.005 20.422 1.00 0.00 H new ATOM 171 N ALA A 14 -30.279 9.085 19.055 1.00 0.00 N ATOM 172 CA ALA A 14 -30.769 9.418 17.721 1.00 0.00 C ATOM 173 C ALA A 14 -29.633 9.945 16.852 1.00 0.00 C ATOM 174 O ALA A 14 -29.830 10.258 15.677 1.00 0.00 O ATOM 175 CB ALA A 14 -31.875 10.470 17.818 1.00 0.00 C ATOM 0 H ALA A 14 -29.712 9.810 19.494 1.00 0.00 H new ATOM 0 HA ALA A 14 -31.171 8.514 17.264 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -32.235 10.713 16.818 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -32.699 10.078 18.415 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -31.481 11.370 18.290 1.00 0.00 H new ATOM 181 N ASP A 15 -28.443 10.041 17.436 1.00 0.00 N ATOM 182 CA ASP A 15 -27.282 10.532 16.704 1.00 0.00 C ATOM 183 C ASP A 15 -26.640 9.406 15.902 1.00 0.00 C ATOM 184 O ASP A 15 -26.722 8.237 16.280 1.00 0.00 O ATOM 185 CB ASP A 15 -26.257 11.115 17.680 1.00 0.00 C ATOM 186 CG ASP A 15 -26.191 10.260 18.941 1.00 0.00 C ATOM 187 OD1 ASP A 15 -26.518 9.087 18.855 1.00 0.00 O ATOM 188 OD2 ASP A 15 -25.815 10.790 19.973 1.00 0.00 O ATOM 0 H ASP A 15 -28.258 9.787 18.407 1.00 0.00 H new ATOM 0 HA ASP A 15 -27.612 11.311 16.016 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -25.276 11.157 17.207 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -26.530 12.138 17.938 1.00 0.00 H new ATOM 193 N GLY A 16 -26.001 9.765 14.794 1.00 0.00 N ATOM 194 CA GLY A 16 -25.348 8.776 13.944 1.00 0.00 C ATOM 195 C GLY A 16 -24.970 9.380 12.596 1.00 0.00 C ATOM 196 O GLY A 16 -25.819 9.915 11.885 1.00 0.00 O ATOM 0 H GLY A 16 -25.921 10.727 14.465 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -24.455 8.397 14.440 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -26.013 7.926 13.792 1.00 0.00 H new ATOM 200 N HIS A 17 -23.690 9.289 12.251 1.00 0.00 N ATOM 201 CA HIS A 17 -23.211 9.828 10.985 1.00 0.00 C ATOM 202 C HIS A 17 -22.664 8.715 10.097 1.00 0.00 C ATOM 203 O HIS A 17 -22.310 7.640 10.580 1.00 0.00 O ATOM 204 CB HIS A 17 -22.114 10.864 11.237 1.00 0.00 C ATOM 205 CG HIS A 17 -22.342 11.526 12.568 1.00 0.00 C ATOM 206 ND1 HIS A 17 -22.130 10.866 13.768 1.00 0.00 N ATOM 207 CD2 HIS A 17 -22.766 12.788 12.904 1.00 0.00 C ATOM 208 CE1 HIS A 17 -22.422 11.725 14.762 1.00 0.00 C ATOM 209 NE2 HIS A 17 -22.816 12.911 14.289 1.00 0.00 N ATOM 0 H HIS A 17 -22.971 8.850 12.826 1.00 0.00 H new ATOM 0 HA HIS A 17 -24.051 10.303 10.477 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -21.136 10.384 11.221 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -22.116 11.611 10.443 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -23.022 13.566 12.200 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -22.347 11.485 15.812 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -23.094 13.731 14.828 1.00 0.00 H new ATOM 217 N GLY A 18 -22.599 8.985 8.798 1.00 0.00 N ATOM 218 CA GLY A 18 -22.093 8.002 7.847 1.00 0.00 C ATOM 219 C GLY A 18 -22.041 8.589 6.441 1.00 0.00 C ATOM 220 O GLY A 18 -22.533 7.986 5.488 1.00 0.00 O ATOM 0 H GLY A 18 -22.888 9.870 8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -21.097 7.677 8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -22.732 7.119 7.854 1.00 0.00 H new ATOM 224 N SER A 19 -21.442 9.769 6.321 1.00 0.00 N ATOM 225 CA SER A 19 -21.330 10.431 5.026 1.00 0.00 C ATOM 226 C SER A 19 -19.911 10.947 4.809 1.00 0.00 C ATOM 227 O SER A 19 -18.952 10.399 5.351 1.00 0.00 O ATOM 228 CB SER A 19 -22.314 11.599 4.950 1.00 0.00 C ATOM 229 OG SER A 19 -23.637 11.112 5.132 1.00 0.00 O ATOM 0 H SER A 19 -21.029 10.284 7.099 1.00 0.00 H new ATOM 0 HA SER A 19 -21.565 9.705 4.247 1.00 0.00 H new ATOM 0 HB2 SER A 19 -22.078 12.339 5.715 1.00 0.00 H new ATOM 0 HB3 SER A 19 -22.228 12.100 3.986 1.00 0.00 H new ATOM 0 HG SER A 19 -24.270 11.859 5.085 1.00 0.00 H new ATOM 235 N SER A 20 -19.788 12.005 4.015 1.00 0.00 N ATOM 236 CA SER A 20 -18.483 12.591 3.732 1.00 0.00 C ATOM 237 C SER A 20 -18.643 13.978 3.119 1.00 0.00 C ATOM 238 O SER A 20 -19.000 14.112 1.949 1.00 0.00 O ATOM 239 CB SER A 20 -17.704 11.695 2.769 1.00 0.00 C ATOM 240 OG SER A 20 -17.060 12.505 1.792 1.00 0.00 O ATOM 0 H SER A 20 -20.571 12.472 3.558 1.00 0.00 H new ATOM 0 HA SER A 20 -17.934 12.679 4.670 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.966 11.108 3.316 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.378 10.988 2.285 1.00 0.00 H new ATOM 0 HG SER A 20 -16.558 11.934 1.173 1.00 0.00 H new ATOM 246 N CYS A 21 -18.374 15.008 3.915 1.00 0.00 N ATOM 247 CA CYS A 21 -18.490 16.380 3.438 1.00 0.00 C ATOM 248 C CYS A 21 -17.240 16.782 2.661 1.00 0.00 C ATOM 249 O CYS A 21 -16.199 16.134 2.767 1.00 0.00 O ATOM 250 CB CYS A 21 -18.685 17.330 4.621 1.00 0.00 C ATOM 251 SG CYS A 21 -18.420 16.427 6.167 1.00 0.00 S ATOM 0 H CYS A 21 -18.076 14.919 4.887 1.00 0.00 H new ATOM 0 HA CYS A 21 -19.354 16.444 2.776 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.987 18.165 4.550 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -19.690 17.752 4.601 1.00 0.00 H new ATOM 0 HG CYS A 21 -17.251 15.859 6.143 1.00 0.00 H new ATOM 257 N GLN A 22 -17.349 17.851 1.881 1.00 0.00 N ATOM 258 CA GLN A 22 -16.219 18.326 1.094 1.00 0.00 C ATOM 259 C GLN A 22 -14.936 18.261 1.916 1.00 0.00 C ATOM 260 O GLN A 22 -13.834 18.366 1.375 1.00 0.00 O ATOM 261 CB GLN A 22 -16.462 19.766 0.639 1.00 0.00 C ATOM 262 CG GLN A 22 -15.902 19.958 -0.771 1.00 0.00 C ATOM 263 CD GLN A 22 -15.856 21.443 -1.115 1.00 0.00 C ATOM 264 OE1 GLN A 22 -16.825 21.989 -1.642 1.00 0.00 O ATOM 265 NE2 GLN A 22 -14.781 22.133 -0.846 1.00 0.00 N ATOM 0 H GLN A 22 -18.202 18.401 1.777 1.00 0.00 H new ATOM 0 HA GLN A 22 -16.114 17.685 0.219 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -17.529 19.987 0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -15.985 20.462 1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.902 19.530 -0.835 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.523 19.428 -1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.979 21.678 -0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.743 23.127 -1.073 1.00 0.00 H new ATOM 274 N MET A 23 -15.086 18.088 3.225 1.00 0.00 N ATOM 275 CA MET A 23 -13.932 18.015 4.112 1.00 0.00 C ATOM 276 C MET A 23 -13.054 16.831 3.754 1.00 0.00 C ATOM 277 O MET A 23 -11.857 16.973 3.541 1.00 0.00 O ATOM 278 CB MET A 23 -14.389 17.880 5.564 1.00 0.00 C ATOM 279 CG MET A 23 -13.426 18.641 6.476 1.00 0.00 C ATOM 280 SD MET A 23 -13.266 17.763 8.051 1.00 0.00 S ATOM 281 CE MET A 23 -13.767 19.130 9.123 1.00 0.00 C ATOM 0 H MET A 23 -15.988 17.996 3.692 1.00 0.00 H new ATOM 0 HA MET A 23 -13.357 18.934 3.994 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.400 18.273 5.676 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.422 16.829 5.849 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.451 18.732 5.998 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.793 19.653 6.647 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.741 18.805 10.163 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.084 19.968 8.987 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.779 19.442 8.866 1.00 0.00 H new ATOM 291 N LEU A 24 -13.668 15.668 3.704 1.00 0.00 N ATOM 292 CA LEU A 24 -12.956 14.434 3.387 1.00 0.00 C ATOM 293 C LEU A 24 -12.157 14.561 2.097 1.00 0.00 C ATOM 294 O LEU A 24 -10.927 14.439 2.085 1.00 0.00 O ATOM 295 CB LEU A 24 -13.958 13.283 3.242 1.00 0.00 C ATOM 296 CG LEU A 24 -14.270 12.677 4.614 1.00 0.00 C ATOM 297 CD1 LEU A 24 -13.110 11.788 5.067 1.00 0.00 C ATOM 298 CD2 LEU A 24 -14.482 13.798 5.635 1.00 0.00 C ATOM 0 H LEU A 24 -14.665 15.544 3.879 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.262 14.234 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.876 13.646 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.550 12.517 2.582 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.176 12.075 4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.339 11.361 6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.963 10.985 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.200 12.384 5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.704 13.365 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.578 14.403 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -15.315 14.425 5.319 1.00 0.00 H new ATOM 310 N LEU A 25 -12.881 14.781 1.018 1.00 0.00 N ATOM 311 CA LEU A 25 -12.280 14.898 -0.307 1.00 0.00 C ATOM 312 C LEU A 25 -11.180 15.964 -0.343 1.00 0.00 C ATOM 313 O LEU A 25 -10.117 15.770 -0.942 1.00 0.00 O ATOM 314 CB LEU A 25 -13.354 15.262 -1.335 1.00 0.00 C ATOM 315 CG LEU A 25 -14.548 14.307 -1.213 1.00 0.00 C ATOM 316 CD1 LEU A 25 -14.047 12.888 -0.942 1.00 0.00 C ATOM 317 CD2 LEU A 25 -15.461 14.754 -0.064 1.00 0.00 C ATOM 0 H LEU A 25 -13.896 14.884 1.028 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.833 13.933 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.683 16.289 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -12.938 15.209 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 25 -15.111 14.322 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.898 12.212 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.408 12.565 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.477 12.875 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -16.306 14.071 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.900 14.748 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.827 15.762 -0.261 1.00 0.00 H new ATOM 329 N ASN A 26 -11.456 17.104 0.272 1.00 0.00 N ATOM 330 CA ASN A 26 -10.506 18.210 0.278 1.00 0.00 C ATOM 331 C ASN A 26 -9.275 17.910 1.122 1.00 0.00 C ATOM 332 O ASN A 26 -8.151 18.223 0.736 1.00 0.00 O ATOM 333 CB ASN A 26 -11.198 19.464 0.811 1.00 0.00 C ATOM 334 CG ASN A 26 -10.330 20.692 0.557 1.00 0.00 C ATOM 335 OD1 ASN A 26 -10.681 21.797 0.970 1.00 0.00 O ATOM 336 ND2 ASN A 26 -9.211 20.563 -0.102 1.00 0.00 N ATOM 0 H ASN A 26 -12.326 17.289 0.772 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.169 18.364 -0.747 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.167 19.588 0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -11.387 19.358 1.879 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.625 21.379 -0.276 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.923 19.646 -0.443 1.00 0.00 H new ATOM 343 N GLN A 27 -9.501 17.327 2.279 1.00 0.00 N ATOM 344 CA GLN A 27 -8.416 17.008 3.204 1.00 0.00 C ATOM 345 C GLN A 27 -7.409 16.034 2.600 1.00 0.00 C ATOM 346 O GLN A 27 -6.210 16.289 2.624 1.00 0.00 O ATOM 347 CB GLN A 27 -8.981 16.404 4.488 1.00 0.00 C ATOM 348 CG GLN A 27 -8.860 17.413 5.631 1.00 0.00 C ATOM 349 CD GLN A 27 -7.394 17.745 5.877 1.00 0.00 C ATOM 350 OE1 GLN A 27 -6.545 16.854 5.872 1.00 0.00 O ATOM 351 NE2 GLN A 27 -7.043 18.983 6.091 1.00 0.00 N ATOM 0 H GLN A 27 -10.428 17.060 2.610 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.898 17.942 3.420 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.026 16.129 4.343 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.442 15.490 4.739 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.411 18.321 5.386 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.306 17.004 6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.748 19.720 6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.063 19.214 6.255 1.00 0.00 H new ATOM 360 N LEU A 28 -7.884 14.904 2.091 1.00 0.00 N ATOM 361 CA LEU A 28 -6.972 13.915 1.529 1.00 0.00 C ATOM 362 C LEU A 28 -6.360 14.400 0.210 1.00 0.00 C ATOM 363 O LEU A 28 -5.147 14.320 0.025 1.00 0.00 O ATOM 364 CB LEU A 28 -7.691 12.565 1.346 1.00 0.00 C ATOM 365 CG LEU A 28 -8.389 12.489 -0.011 1.00 0.00 C ATOM 366 CD1 LEU A 28 -8.963 11.094 -0.217 1.00 0.00 C ATOM 367 CD2 LEU A 28 -9.541 13.464 -0.031 1.00 0.00 C ATOM 0 H LEU A 28 -8.872 14.653 2.055 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.151 13.775 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.970 11.752 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.423 12.429 2.142 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.666 12.722 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.460 11.044 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.157 10.361 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.683 10.877 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.043 13.414 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.248 13.209 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.165 14.474 0.131 1.00 0.00 H new ATOM 379 N ARG A 29 -7.187 14.897 -0.711 1.00 0.00 N ATOM 380 CA ARG A 29 -6.667 15.360 -1.995 1.00 0.00 C ATOM 381 C ARG A 29 -5.780 16.590 -1.829 1.00 0.00 C ATOM 382 O ARG A 29 -4.890 16.835 -2.644 1.00 0.00 O ATOM 383 CB ARG A 29 -7.827 15.683 -2.940 1.00 0.00 C ATOM 384 CG ARG A 29 -8.252 17.144 -2.751 1.00 0.00 C ATOM 385 CD ARG A 29 -7.388 18.057 -3.626 1.00 0.00 C ATOM 386 NE ARG A 29 -8.195 18.654 -4.686 1.00 0.00 N ATOM 387 CZ ARG A 29 -7.742 18.746 -5.935 1.00 0.00 C ATOM 388 NH1 ARG A 29 -6.551 18.301 -6.239 1.00 0.00 N ATOM 389 NH2 ARG A 29 -8.487 19.287 -6.860 1.00 0.00 N ATOM 0 H ARG A 29 -8.196 14.988 -0.596 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.059 14.560 -2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.526 15.512 -3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.668 15.020 -2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.303 17.263 -3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.151 17.428 -1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.941 18.841 -3.015 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.568 17.486 -4.062 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.126 19.008 -4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.964 17.881 -5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.209 18.374 -7.197 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.415 19.639 -6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.141 19.358 -7.817 1.00 0.00 H new ATOM 403 N GLU A 30 -6.020 17.359 -0.777 1.00 0.00 N ATOM 404 CA GLU A 30 -5.227 18.558 -0.530 1.00 0.00 C ATOM 405 C GLU A 30 -3.988 18.218 0.288 1.00 0.00 C ATOM 406 O GLU A 30 -2.858 18.480 -0.126 1.00 0.00 O ATOM 407 CB GLU A 30 -6.062 19.595 0.225 1.00 0.00 C ATOM 408 CG GLU A 30 -5.280 20.903 0.335 1.00 0.00 C ATOM 409 CD GLU A 30 -5.171 21.564 -1.033 1.00 0.00 C ATOM 410 OE1 GLU A 30 -6.145 21.525 -1.767 1.00 0.00 O ATOM 411 OE2 GLU A 30 -4.115 22.097 -1.330 1.00 0.00 O ATOM 0 H GLU A 30 -6.749 17.179 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.919 18.969 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.005 19.766 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.310 19.223 1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.777 21.575 1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.284 20.708 0.734 1.00 0.00 H new ATOM 418 N ILE A 31 -4.220 17.640 1.456 1.00 0.00 N ATOM 419 CA ILE A 31 -3.141 17.266 2.356 1.00 0.00 C ATOM 420 C ILE A 31 -2.116 16.379 1.666 1.00 0.00 C ATOM 421 O ILE A 31 -0.920 16.471 1.938 1.00 0.00 O ATOM 422 CB ILE A 31 -3.731 16.543 3.563 1.00 0.00 C ATOM 423 CG1 ILE A 31 -2.705 16.500 4.687 1.00 0.00 C ATOM 424 CG2 ILE A 31 -4.110 15.115 3.175 1.00 0.00 C ATOM 425 CD1 ILE A 31 -3.390 16.010 5.967 1.00 0.00 C ATOM 0 H ILE A 31 -5.153 17.419 1.804 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.626 18.172 2.675 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.619 17.078 3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.883 15.835 4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.277 17.490 4.844 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.531 14.602 4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.848 15.140 2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.222 14.583 2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.663 15.976 6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.197 16.693 6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.798 15.013 5.803 1.00 0.00 H new ATOM 437 N THR A 32 -2.587 15.524 0.776 1.00 0.00 N ATOM 438 CA THR A 32 -1.691 14.624 0.056 1.00 0.00 C ATOM 439 C THR A 32 -1.244 15.248 -1.262 1.00 0.00 C ATOM 440 O THR A 32 -0.140 14.988 -1.742 1.00 0.00 O ATOM 441 CB THR A 32 -2.385 13.288 -0.216 1.00 0.00 C ATOM 442 OG1 THR A 32 -3.462 13.489 -1.118 1.00 0.00 O ATOM 443 CG2 THR A 32 -2.909 12.709 1.099 1.00 0.00 C ATOM 0 H THR A 32 -3.573 15.431 0.533 1.00 0.00 H new ATOM 0 HA THR A 32 -0.813 14.451 0.678 1.00 0.00 H new ATOM 0 HB THR A 32 -1.674 12.590 -0.657 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.278 13.690 -0.614 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.404 11.757 0.906 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.077 12.553 1.785 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.621 13.404 1.544 1.00 0.00 H new ATOM 451 N GLY A 33 -2.114 16.059 -1.846 1.00 0.00 N ATOM 452 CA GLY A 33 -1.805 16.706 -3.120 1.00 0.00 C ATOM 453 C GLY A 33 -1.800 15.661 -4.219 1.00 0.00 C ATOM 454 O GLY A 33 -0.981 15.695 -5.136 1.00 0.00 O ATOM 0 H GLY A 33 -3.033 16.286 -1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.543 17.478 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.834 17.199 -3.066 1.00 0.00 H new ATOM 458 N ILE A 34 -2.708 14.710 -4.078 1.00 0.00 N ATOM 459 CA ILE A 34 -2.817 13.604 -5.011 1.00 0.00 C ATOM 460 C ILE A 34 -3.807 13.879 -6.131 1.00 0.00 C ATOM 461 O ILE A 34 -4.766 14.634 -5.969 1.00 0.00 O ATOM 462 CB ILE A 34 -3.264 12.379 -4.234 1.00 0.00 C ATOM 463 CG1 ILE A 34 -2.194 12.066 -3.183 1.00 0.00 C ATOM 464 CG2 ILE A 34 -3.481 11.205 -5.191 1.00 0.00 C ATOM 465 CD1 ILE A 34 -1.100 11.162 -3.762 1.00 0.00 C ATOM 0 H ILE A 34 -3.387 14.684 -3.317 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.844 13.452 -5.478 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.213 12.563 -3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.750 12.994 -2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.655 11.579 -2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.802 10.330 -4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.248 11.467 -5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.549 10.981 -5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.354 10.956 -2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.543 10.225 -4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.624 11.662 -4.606 1.00 0.00 H new ATOM 477 N GLN A 35 -3.566 13.231 -7.263 1.00 0.00 N ATOM 478 CA GLN A 35 -4.432 13.363 -8.422 1.00 0.00 C ATOM 479 C GLN A 35 -4.942 11.987 -8.835 1.00 0.00 C ATOM 480 O GLN A 35 -5.394 11.792 -9.962 1.00 0.00 O ATOM 481 CB GLN A 35 -3.663 13.998 -9.582 1.00 0.00 C ATOM 482 CG GLN A 35 -3.328 15.450 -9.238 1.00 0.00 C ATOM 483 CD GLN A 35 -3.538 16.338 -10.459 1.00 0.00 C ATOM 484 OE1 GLN A 35 -2.593 16.955 -10.949 1.00 0.00 O ATOM 485 NE2 GLN A 35 -4.729 16.438 -10.984 1.00 0.00 N ATOM 0 H GLN A 35 -2.772 12.605 -7.401 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.277 14.002 -8.166 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.748 13.438 -9.775 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.260 13.957 -10.493 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.958 15.792 -8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.295 15.523 -8.899 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.511 15.926 -10.576 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.878 17.029 -11.802 1.00 0.00 H new ATOM 494 N ASP A 36 -4.858 11.031 -7.908 1.00 0.00 N ATOM 495 CA ASP A 36 -5.307 9.674 -8.181 1.00 0.00 C ATOM 496 C ASP A 36 -6.422 9.285 -7.222 1.00 0.00 C ATOM 497 O ASP A 36 -6.261 8.386 -6.396 1.00 0.00 O ATOM 498 CB ASP A 36 -4.140 8.695 -8.032 1.00 0.00 C ATOM 499 CG ASP A 36 -3.511 8.420 -9.394 1.00 0.00 C ATOM 500 OD1 ASP A 36 -4.210 7.913 -10.257 1.00 0.00 O ATOM 501 OD2 ASP A 36 -2.340 8.721 -9.555 1.00 0.00 O ATOM 0 H ASP A 36 -4.485 11.174 -6.969 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.684 9.633 -9.203 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.393 9.108 -7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.491 7.763 -7.590 1.00 0.00 H new ATOM 506 N PRO A 37 -7.543 9.941 -7.324 1.00 0.00 N ATOM 507 CA PRO A 37 -8.719 9.670 -6.460 1.00 0.00 C ATOM 508 C PRO A 37 -8.859 8.190 -6.137 1.00 0.00 C ATOM 509 O PRO A 37 -9.525 7.801 -5.179 1.00 0.00 O ATOM 510 CB PRO A 37 -9.873 10.142 -7.326 1.00 0.00 C ATOM 511 CG PRO A 37 -9.321 11.278 -8.127 1.00 0.00 C ATOM 512 CD PRO A 37 -7.817 11.024 -8.279 1.00 0.00 C ATOM 0 HA PRO A 37 -8.657 10.164 -5.490 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.233 9.342 -7.973 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.717 10.463 -6.716 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.804 11.334 -9.103 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.504 12.229 -7.626 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.562 10.732 -9.298 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.236 11.917 -8.048 1.00 0.00 H new ATOM 520 N SER A 38 -8.228 7.383 -6.968 1.00 0.00 N ATOM 521 CA SER A 38 -8.268 5.929 -6.817 1.00 0.00 C ATOM 522 C SER A 38 -7.376 5.453 -5.671 1.00 0.00 C ATOM 523 O SER A 38 -7.832 4.729 -4.785 1.00 0.00 O ATOM 524 CB SER A 38 -7.820 5.261 -8.116 1.00 0.00 C ATOM 525 OG SER A 38 -7.994 3.853 -8.004 1.00 0.00 O ATOM 0 H SER A 38 -7.676 7.706 -7.762 1.00 0.00 H new ATOM 0 HA SER A 38 -9.296 5.650 -6.586 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.400 5.645 -8.955 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.775 5.495 -8.317 1.00 0.00 H new ATOM 0 HG SER A 38 -7.709 3.421 -8.836 1.00 0.00 H new ATOM 531 N PHE A 39 -6.109 5.863 -5.680 1.00 0.00 N ATOM 532 CA PHE A 39 -5.193 5.459 -4.621 1.00 0.00 C ATOM 533 C PHE A 39 -5.598 6.194 -3.346 1.00 0.00 C ATOM 534 O PHE A 39 -5.378 5.724 -2.216 1.00 0.00 O ATOM 535 CB PHE A 39 -3.740 5.743 -5.078 1.00 0.00 C ATOM 536 CG PHE A 39 -2.966 6.620 -4.134 1.00 0.00 C ATOM 537 CD1 PHE A 39 -3.467 7.856 -3.763 1.00 0.00 C ATOM 538 CD2 PHE A 39 -1.705 6.211 -3.682 1.00 0.00 C ATOM 539 CE1 PHE A 39 -2.721 8.694 -2.948 1.00 0.00 C ATOM 540 CE2 PHE A 39 -0.955 7.049 -2.855 1.00 0.00 C ATOM 541 CZ PHE A 39 -1.464 8.299 -2.495 1.00 0.00 C ATOM 0 H PHE A 39 -5.701 6.464 -6.396 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.243 4.391 -4.410 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.214 4.795 -5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.764 6.215 -6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.441 8.168 -4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.313 5.248 -3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.116 9.658 -2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.013 6.733 -2.496 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.884 8.958 -1.866 1.00 0.00 H new ATOM 551 N LEU A 40 -6.265 7.325 -3.554 1.00 0.00 N ATOM 552 CA LEU A 40 -6.769 8.122 -2.457 1.00 0.00 C ATOM 553 C LEU A 40 -7.858 7.340 -1.739 1.00 0.00 C ATOM 554 O LEU A 40 -7.750 7.036 -0.553 1.00 0.00 O ATOM 555 CB LEU A 40 -7.380 9.415 -2.991 1.00 0.00 C ATOM 556 CG LEU A 40 -6.286 10.430 -3.329 1.00 0.00 C ATOM 557 CD1 LEU A 40 -6.852 11.489 -4.275 1.00 0.00 C ATOM 558 CD2 LEU A 40 -5.791 11.100 -2.045 1.00 0.00 C ATOM 0 H LEU A 40 -6.466 7.706 -4.479 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.949 8.355 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.973 9.203 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.058 9.837 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.453 9.919 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.074 12.213 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.200 11.010 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.686 11.999 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.012 11.822 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.621 11.612 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.387 10.343 -1.372 1.00 0.00 H new ATOM 570 N HIS A 41 -8.907 7.007 -2.491 1.00 0.00 N ATOM 571 CA HIS A 41 -10.022 6.249 -1.945 1.00 0.00 C ATOM 572 C HIS A 41 -9.504 4.974 -1.298 1.00 0.00 C ATOM 573 O HIS A 41 -9.958 4.585 -0.222 1.00 0.00 O ATOM 574 CB HIS A 41 -11.039 5.932 -3.057 1.00 0.00 C ATOM 575 CG HIS A 41 -11.029 4.462 -3.390 1.00 0.00 C ATOM 576 ND1 HIS A 41 -11.164 3.481 -2.420 1.00 0.00 N ATOM 577 CD2 HIS A 41 -10.914 3.792 -4.584 1.00 0.00 C ATOM 578 CE1 HIS A 41 -11.129 2.288 -3.040 1.00 0.00 C ATOM 579 NE2 HIS A 41 -10.978 2.420 -4.360 1.00 0.00 N ATOM 0 H HIS A 41 -9.004 7.251 -3.477 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.528 6.842 -1.183 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.038 6.230 -2.738 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.802 6.513 -3.948 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -10.792 4.259 -5.550 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -11.213 1.339 -2.532 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -10.922 1.675 -5.055 1.00 0.00 H new ATOM 587 N GLU A 42 -8.529 4.341 -1.945 1.00 0.00 N ATOM 588 CA GLU A 42 -7.947 3.131 -1.390 1.00 0.00 C ATOM 589 C GLU A 42 -7.579 3.399 0.054 1.00 0.00 C ATOM 590 O GLU A 42 -7.925 2.631 0.956 1.00 0.00 O ATOM 591 CB GLU A 42 -6.702 2.729 -2.180 1.00 0.00 C ATOM 592 CG GLU A 42 -6.010 1.557 -1.481 1.00 0.00 C ATOM 593 CD GLU A 42 -4.773 1.135 -2.267 1.00 0.00 C ATOM 594 OE1 GLU A 42 -4.917 0.835 -3.441 1.00 0.00 O ATOM 595 OE2 GLU A 42 -3.702 1.119 -1.684 1.00 0.00 O ATOM 0 H GLU A 42 -8.134 4.641 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.666 2.314 -1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.978 2.448 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.019 3.575 -2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.727 1.843 -0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.699 0.717 -1.394 1.00 0.00 H new ATOM 602 N ALA A 43 -6.893 4.514 0.268 1.00 0.00 N ATOM 603 CA ALA A 43 -6.504 4.894 1.614 1.00 0.00 C ATOM 604 C ALA A 43 -7.738 5.114 2.485 1.00 0.00 C ATOM 605 O ALA A 43 -7.918 4.440 3.495 1.00 0.00 O ATOM 606 CB ALA A 43 -5.670 6.162 1.572 1.00 0.00 C ATOM 0 H ALA A 43 -6.599 5.161 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.911 4.087 2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.382 6.441 2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.775 5.989 0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.254 6.967 1.126 1.00 0.00 H new ATOM 612 N LEU A 44 -8.588 6.058 2.087 1.00 0.00 N ATOM 613 CA LEU A 44 -9.802 6.344 2.850 1.00 0.00 C ATOM 614 C LEU A 44 -10.494 5.041 3.238 1.00 0.00 C ATOM 615 O LEU A 44 -11.242 4.989 4.215 1.00 0.00 O ATOM 616 CB LEU A 44 -10.762 7.197 2.011 1.00 0.00 C ATOM 617 CG LEU A 44 -10.347 8.679 2.024 1.00 0.00 C ATOM 618 CD1 LEU A 44 -10.780 9.334 3.335 1.00 0.00 C ATOM 619 CD2 LEU A 44 -8.827 8.816 1.858 1.00 0.00 C ATOM 0 H LEU A 44 -8.462 6.631 1.253 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.526 6.891 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.776 6.830 0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.775 7.097 2.400 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.839 9.180 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.482 10.382 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.863 9.265 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.305 8.822 4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.553 9.871 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.324 8.301 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.523 8.373 0.910 1.00 0.00 H new ATOM 631 N LYS A 45 -10.236 3.989 2.467 1.00 0.00 N ATOM 632 CA LYS A 45 -10.837 2.685 2.734 1.00 0.00 C ATOM 633 C LYS A 45 -10.049 1.934 3.805 1.00 0.00 C ATOM 634 O LYS A 45 -10.629 1.301 4.686 1.00 0.00 O ATOM 635 CB LYS A 45 -10.862 1.851 1.449 1.00 0.00 C ATOM 636 CG LYS A 45 -12.300 1.721 0.945 1.00 0.00 C ATOM 637 CD LYS A 45 -12.784 3.077 0.431 1.00 0.00 C ATOM 638 CE LYS A 45 -14.273 2.993 0.085 1.00 0.00 C ATOM 639 NZ LYS A 45 -14.433 2.553 -1.330 1.00 0.00 N ATOM 0 H LYS A 45 -9.618 4.013 1.656 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.854 2.845 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.241 2.321 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.442 0.863 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.352 0.979 0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.948 1.372 1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.619 3.844 1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.212 3.369 -0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.773 2.292 0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.746 3.964 0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.445 2.496 -1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.970 3.238 -1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.996 1.617 -1.454 1.00 0.00 H new ATOM 653 N ALA A 46 -8.725 1.995 3.711 1.00 0.00 N ATOM 654 CA ALA A 46 -7.868 1.303 4.666 1.00 0.00 C ATOM 655 C ALA A 46 -7.800 2.049 6.001 1.00 0.00 C ATOM 656 O ALA A 46 -7.512 1.452 7.038 1.00 0.00 O ATOM 657 CB ALA A 46 -6.461 1.163 4.081 1.00 0.00 C ATOM 0 H ALA A 46 -8.225 2.513 2.988 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.294 0.317 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.820 0.646 4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.508 0.591 3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.052 2.152 3.877 1.00 0.00 H new ATOM 663 N SER A 47 -8.054 3.353 5.965 1.00 0.00 N ATOM 664 CA SER A 47 -8.007 4.170 7.174 1.00 0.00 C ATOM 665 C SER A 47 -9.334 4.118 7.933 1.00 0.00 C ATOM 666 O SER A 47 -9.466 4.702 9.008 1.00 0.00 O ATOM 667 CB SER A 47 -7.692 5.618 6.804 1.00 0.00 C ATOM 668 OG SER A 47 -8.796 6.177 6.105 1.00 0.00 O ATOM 0 H SER A 47 -8.294 3.866 5.116 1.00 0.00 H new ATOM 0 HA SER A 47 -7.226 3.771 7.821 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.485 6.198 7.703 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.796 5.660 6.185 1.00 0.00 H new ATOM 0 HG SER A 47 -8.933 7.103 6.396 1.00 0.00 H new ATOM 674 N ASN A 48 -10.312 3.417 7.370 1.00 0.00 N ATOM 675 CA ASN A 48 -11.621 3.299 8.007 1.00 0.00 C ATOM 676 C ASN A 48 -12.276 4.668 8.175 1.00 0.00 C ATOM 677 O ASN A 48 -13.097 4.865 9.070 1.00 0.00 O ATOM 678 CB ASN A 48 -11.485 2.635 9.378 1.00 0.00 C ATOM 679 CG ASN A 48 -11.800 1.147 9.267 1.00 0.00 C ATOM 680 OD1 ASN A 48 -10.891 0.319 9.263 1.00 0.00 O ATOM 681 ND2 ASN A 48 -13.044 0.759 9.177 1.00 0.00 N ATOM 0 H ASN A 48 -10.226 2.925 6.481 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.250 2.685 7.362 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.474 2.774 9.761 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.163 3.107 10.089 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.264 -0.234 9.103 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.795 1.449 9.181 1.00 0.00 H new ATOM 688 N GLY A 49 -11.916 5.607 7.306 1.00 0.00 N ATOM 689 CA GLY A 49 -12.489 6.948 7.367 1.00 0.00 C ATOM 690 C GLY A 49 -11.518 7.951 7.989 1.00 0.00 C ATOM 691 O GLY A 49 -11.612 9.152 7.733 1.00 0.00 O ATOM 0 H GLY A 49 -11.237 5.467 6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.756 7.275 6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.410 6.924 7.950 1.00 0.00 H new ATOM 695 N ASP A 50 -10.584 7.461 8.798 1.00 0.00 N ATOM 696 CA ASP A 50 -9.609 8.344 9.432 1.00 0.00 C ATOM 697 C ASP A 50 -8.733 8.998 8.371 1.00 0.00 C ATOM 698 O ASP A 50 -7.831 8.366 7.824 1.00 0.00 O ATOM 699 CB ASP A 50 -8.737 7.551 10.405 1.00 0.00 C ATOM 700 CG ASP A 50 -9.317 7.639 11.811 1.00 0.00 C ATOM 701 OD1 ASP A 50 -10.528 7.564 11.935 1.00 0.00 O ATOM 702 OD2 ASP A 50 -8.542 7.781 12.743 1.00 0.00 O ATOM 0 H ASP A 50 -10.481 6.473 9.028 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.142 9.119 9.983 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.681 6.509 10.090 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.720 7.942 10.397 1.00 0.00 H new ATOM 707 N ILE A 51 -9.014 10.262 8.070 1.00 0.00 N ATOM 708 CA ILE A 51 -8.249 10.974 7.053 1.00 0.00 C ATOM 709 C ILE A 51 -6.767 11.014 7.416 1.00 0.00 C ATOM 710 O ILE A 51 -5.928 10.549 6.647 1.00 0.00 O ATOM 711 CB ILE A 51 -8.811 12.396 6.869 1.00 0.00 C ATOM 712 CG1 ILE A 51 -8.665 12.847 5.411 1.00 0.00 C ATOM 713 CG2 ILE A 51 -8.073 13.391 7.768 1.00 0.00 C ATOM 714 CD1 ILE A 51 -9.929 13.604 5.006 1.00 0.00 C ATOM 0 H ILE A 51 -9.755 10.808 8.509 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.343 10.439 6.108 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.866 12.373 7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.789 13.486 5.299 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.516 11.985 4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.486 14.389 7.622 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.193 13.098 8.811 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.013 13.396 7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.841 13.932 3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.794 12.948 5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.056 14.473 5.652 1.00 0.00 H new ATOM 726 N THR A 52 -6.444 11.558 8.583 1.00 0.00 N ATOM 727 CA THR A 52 -5.054 11.630 9.007 1.00 0.00 C ATOM 728 C THR A 52 -4.331 10.334 8.662 1.00 0.00 C ATOM 729 O THR A 52 -3.374 10.330 7.891 1.00 0.00 O ATOM 730 CB THR A 52 -4.963 11.872 10.512 1.00 0.00 C ATOM 731 OG1 THR A 52 -5.432 13.180 10.812 1.00 0.00 O ATOM 732 CG2 THR A 52 -3.505 11.734 10.945 1.00 0.00 C ATOM 0 H THR A 52 -7.115 11.950 9.243 1.00 0.00 H new ATOM 0 HA THR A 52 -4.582 12.461 8.483 1.00 0.00 H new ATOM 0 HB THR A 52 -5.576 11.144 11.044 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.375 13.334 11.778 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.427 11.905 12.019 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.149 10.731 10.710 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.897 12.468 10.416 1.00 0.00 H new ATOM 740 N GLN A 53 -4.794 9.228 9.231 1.00 0.00 N ATOM 741 CA GLN A 53 -4.170 7.945 8.950 1.00 0.00 C ATOM 742 C GLN A 53 -4.047 7.755 7.443 1.00 0.00 C ATOM 743 O GLN A 53 -2.952 7.548 6.924 1.00 0.00 O ATOM 744 CB GLN A 53 -4.995 6.805 9.545 1.00 0.00 C ATOM 745 CG GLN A 53 -5.095 6.971 11.063 1.00 0.00 C ATOM 746 CD GLN A 53 -5.757 5.741 11.676 1.00 0.00 C ATOM 747 OE1 GLN A 53 -6.746 5.862 12.399 1.00 0.00 O ATOM 748 NE2 GLN A 53 -5.267 4.556 11.430 1.00 0.00 N ATOM 0 H GLN A 53 -5.583 9.193 9.877 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.179 7.932 9.403 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.992 6.798 9.105 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.534 5.847 9.305 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.101 7.110 11.489 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.673 7.864 11.303 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.448 4.457 10.831 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.704 3.729 11.837 1.00 0.00 H new ATOM 757 N ALA A 54 -5.177 7.848 6.742 1.00 0.00 N ATOM 758 CA ALA A 54 -5.172 7.694 5.295 1.00 0.00 C ATOM 759 C ALA A 54 -3.970 8.412 4.723 1.00 0.00 C ATOM 760 O ALA A 54 -3.155 7.825 4.018 1.00 0.00 O ATOM 761 CB ALA A 54 -6.457 8.265 4.690 1.00 0.00 C ATOM 0 H ALA A 54 -6.095 8.027 7.150 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.118 6.633 5.049 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.436 8.141 3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.318 7.736 5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.534 9.325 4.932 1.00 0.00 H new ATOM 767 N VAL A 55 -3.855 9.677 5.067 1.00 0.00 N ATOM 768 CA VAL A 55 -2.733 10.479 4.617 1.00 0.00 C ATOM 769 C VAL A 55 -1.454 9.692 4.798 1.00 0.00 C ATOM 770 O VAL A 55 -0.730 9.413 3.846 1.00 0.00 O ATOM 771 CB VAL A 55 -2.654 11.767 5.431 1.00 0.00 C ATOM 772 CG1 VAL A 55 -1.590 12.684 4.841 1.00 0.00 C ATOM 773 CG2 VAL A 55 -4.016 12.461 5.414 1.00 0.00 C ATOM 0 H VAL A 55 -4.523 10.174 5.656 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.868 10.729 3.565 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.384 11.533 6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.537 13.603 5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.623 12.182 4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.848 12.924 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.962 13.382 5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.292 12.696 4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.766 11.801 5.849 1.00 0.00 H new ATOM 783 N SER A 56 -1.202 9.327 6.038 1.00 0.00 N ATOM 784 CA SER A 56 -0.020 8.551 6.375 1.00 0.00 C ATOM 785 C SER A 56 0.157 7.408 5.382 1.00 0.00 C ATOM 786 O SER A 56 1.239 7.208 4.835 1.00 0.00 O ATOM 787 CB SER A 56 -0.157 7.996 7.789 1.00 0.00 C ATOM 788 OG SER A 56 1.095 7.473 8.211 1.00 0.00 O ATOM 0 H SER A 56 -1.799 9.554 6.833 1.00 0.00 H new ATOM 0 HA SER A 56 0.857 9.197 6.326 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.484 8.781 8.470 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.917 7.215 7.814 1.00 0.00 H new ATOM 0 HG SER A 56 1.011 7.117 9.120 1.00 0.00 H new ATOM 794 N LEU A 57 -0.916 6.665 5.151 1.00 0.00 N ATOM 795 CA LEU A 57 -0.867 5.548 4.215 1.00 0.00 C ATOM 796 C LEU A 57 -0.574 6.037 2.805 1.00 0.00 C ATOM 797 O LEU A 57 -0.035 5.305 1.977 1.00 0.00 O ATOM 798 CB LEU A 57 -2.206 4.815 4.210 1.00 0.00 C ATOM 799 CG LEU A 57 -2.374 4.033 5.509 1.00 0.00 C ATOM 800 CD1 LEU A 57 -2.876 4.964 6.611 1.00 0.00 C ATOM 801 CD2 LEU A 57 -3.393 2.916 5.286 1.00 0.00 C ATOM 0 H LEU A 57 -1.823 6.812 5.593 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.071 4.875 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.021 5.530 4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.256 4.137 3.358 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.415 3.609 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.995 4.401 7.537 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.156 5.768 6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.837 5.389 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.521 2.350 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.349 3.349 4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.037 2.251 4.499 1.00 0.00 H new ATOM 813 N LEU A 58 -0.967 7.267 2.540 1.00 0.00 N ATOM 814 CA LEU A 58 -0.784 7.853 1.213 1.00 0.00 C ATOM 815 C LEU A 58 0.536 8.607 1.079 1.00 0.00 C ATOM 816 O LEU A 58 0.904 9.018 -0.022 1.00 0.00 O ATOM 817 CB LEU A 58 -1.945 8.810 0.898 1.00 0.00 C ATOM 818 CG LEU A 58 -3.280 8.060 0.910 1.00 0.00 C ATOM 819 CD1 LEU A 58 -4.422 9.062 0.716 1.00 0.00 C ATOM 820 CD2 LEU A 58 -3.330 7.016 -0.220 1.00 0.00 C ATOM 0 H LEU A 58 -1.414 7.884 3.218 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.766 7.026 0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.968 9.616 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.789 9.271 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.383 7.547 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.375 8.533 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.406 9.793 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.299 9.574 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.287 6.495 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.216 7.515 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.522 6.297 -0.087 1.00 0.00 H new ATOM 832 N THR A 59 1.242 8.809 2.180 1.00 0.00 N ATOM 833 CA THR A 59 2.502 9.541 2.112 1.00 0.00 C ATOM 834 C THR A 59 3.631 8.825 2.847 1.00 0.00 C ATOM 835 O THR A 59 4.730 9.365 2.976 1.00 0.00 O ATOM 836 CB THR A 59 2.316 10.940 2.692 1.00 0.00 C ATOM 837 OG1 THR A 59 3.589 11.505 2.979 1.00 0.00 O ATOM 838 CG2 THR A 59 1.483 10.859 3.972 1.00 0.00 C ATOM 0 H THR A 59 0.976 8.487 3.110 1.00 0.00 H new ATOM 0 HA THR A 59 2.786 9.604 1.062 1.00 0.00 H new ATOM 0 HB THR A 59 1.797 11.569 1.969 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.287 10.985 2.528 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.352 11.859 4.384 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.507 10.429 3.745 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.996 10.231 4.700 1.00 0.00 H new ATOM 846 N ASP A 60 3.373 7.611 3.314 1.00 0.00 N ATOM 847 CA ASP A 60 4.406 6.853 4.011 1.00 0.00 C ATOM 848 C ASP A 60 5.519 6.482 3.036 1.00 0.00 C ATOM 849 O ASP A 60 6.246 5.512 3.244 1.00 0.00 O ATOM 850 CB ASP A 60 3.809 5.586 4.624 1.00 0.00 C ATOM 851 CG ASP A 60 4.883 4.819 5.389 1.00 0.00 C ATOM 852 OD1 ASP A 60 5.786 5.457 5.903 1.00 0.00 O ATOM 853 OD2 ASP A 60 4.785 3.604 5.450 1.00 0.00 O ATOM 0 H ASP A 60 2.475 7.136 3.226 1.00 0.00 H new ATOM 0 HA ASP A 60 4.818 7.469 4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.990 5.848 5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.390 4.956 3.840 1.00 0.00 H new ATOM 858 N GLU A 61 5.632 7.270 1.970 1.00 0.00 N ATOM 859 CA GLU A 61 6.642 7.048 0.947 1.00 0.00 C ATOM 860 C GLU A 61 6.224 5.918 0.014 1.00 0.00 C ATOM 861 O GLU A 61 6.890 4.886 -0.063 1.00 0.00 O ATOM 862 CB GLU A 61 7.985 6.719 1.596 1.00 0.00 C ATOM 863 CG GLU A 61 9.118 6.913 0.582 1.00 0.00 C ATOM 864 CD GLU A 61 9.642 5.558 0.122 1.00 0.00 C ATOM 865 OE1 GLU A 61 9.864 4.711 0.971 1.00 0.00 O ATOM 866 OE2 GLU A 61 9.814 5.386 -1.075 1.00 0.00 O ATOM 0 H GLU A 61 5.029 8.074 1.794 1.00 0.00 H new ATOM 0 HA GLU A 61 6.744 7.961 0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.147 7.361 2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.981 5.691 1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.757 7.483 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.925 7.491 1.032 1.00 0.00 H new ATOM 873 N ARG A 62 5.120 6.123 -0.702 1.00 0.00 N ATOM 874 CA ARG A 62 4.634 5.127 -1.628 1.00 0.00 C ATOM 875 C ARG A 62 4.550 5.728 -3.019 1.00 0.00 C ATOM 876 O ARG A 62 5.569 6.029 -3.640 1.00 0.00 O ATOM 877 CB ARG A 62 3.253 4.638 -1.186 1.00 0.00 C ATOM 878 CG ARG A 62 2.495 5.774 -0.478 1.00 0.00 C ATOM 879 CD ARG A 62 2.987 5.941 0.966 1.00 0.00 C ATOM 880 NE ARG A 62 3.664 4.739 1.440 1.00 0.00 N ATOM 881 CZ ARG A 62 2.977 3.673 1.847 1.00 0.00 C ATOM 882 NH1 ARG A 62 1.673 3.679 1.798 1.00 0.00 N ATOM 883 NH2 ARG A 62 3.609 2.620 2.288 1.00 0.00 N ATOM 0 H ARG A 62 4.554 6.970 -0.652 1.00 0.00 H new ATOM 0 HA ARG A 62 5.321 4.280 -1.643 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.686 4.295 -2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.357 3.786 -0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.635 6.707 -1.025 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.426 5.561 -0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.667 6.791 1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.141 6.165 1.617 1.00 0.00 H new ATOM 0 HE ARG A 62 4.684 4.714 1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.180 4.500 1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.147 2.862 2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.628 2.614 2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.084 1.803 2.600 1.00 0.00 H new ATOM 897 N VAL A 63 3.331 5.915 -3.494 1.00 0.00 N ATOM 898 CA VAL A 63 3.103 6.494 -4.806 1.00 0.00 C ATOM 899 C VAL A 63 3.958 5.812 -5.877 1.00 0.00 C ATOM 900 O VAL A 63 3.824 6.099 -7.066 1.00 0.00 O ATOM 901 CB VAL A 63 3.429 7.977 -4.753 1.00 0.00 C ATOM 902 CG1 VAL A 63 3.287 8.590 -6.147 1.00 0.00 C ATOM 903 CG2 VAL A 63 2.466 8.672 -3.787 1.00 0.00 C ATOM 0 H VAL A 63 2.480 5.673 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 63 2.057 6.346 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 63 4.454 8.110 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.522 9.653 -6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.974 8.095 -6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.264 8.459 -6.500 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.697 9.737 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.442 8.536 -4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.573 8.239 -2.792 1.00 0.00 H new ATOM 913 N LYS A 64 4.837 4.914 -5.446 1.00 0.00 N ATOM 914 CA LYS A 64 5.714 4.199 -6.368 1.00 0.00 C ATOM 915 C LYS A 64 6.008 2.795 -5.845 1.00 0.00 C ATOM 916 O LYS A 64 5.125 2.120 -5.315 1.00 0.00 O ATOM 917 CB LYS A 64 7.030 4.964 -6.530 1.00 0.00 C ATOM 918 CG LYS A 64 7.801 4.943 -5.207 1.00 0.00 C ATOM 919 CD LYS A 64 8.199 6.369 -4.821 1.00 0.00 C ATOM 920 CE LYS A 64 9.307 6.862 -5.753 1.00 0.00 C ATOM 921 NZ LYS A 64 10.400 5.848 -5.807 1.00 0.00 N ATOM 0 H LYS A 64 4.962 4.664 -4.465 1.00 0.00 H new ATOM 0 HA LYS A 64 5.213 4.121 -7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.630 4.512 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.830 5.993 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.186 4.502 -4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.690 4.320 -5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.334 7.029 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.542 6.394 -3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.907 7.034 -6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.698 7.815 -5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.290 6.312 -6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.511 5.407 -4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.162 5.118 -6.508 1.00 0.00 H new ATOM 935 N GLU A 65 7.257 2.365 -5.991 1.00 0.00 N ATOM 936 CA GLU A 65 7.661 1.043 -5.524 1.00 0.00 C ATOM 937 C GLU A 65 8.925 1.145 -4.678 1.00 0.00 C ATOM 938 O GLU A 65 10.026 0.858 -5.147 1.00 0.00 O ATOM 939 CB GLU A 65 7.916 0.119 -6.718 1.00 0.00 C ATOM 940 CG GLU A 65 6.584 -0.425 -7.238 1.00 0.00 C ATOM 941 CD GLU A 65 6.480 -1.917 -6.944 1.00 0.00 C ATOM 942 OE1 GLU A 65 6.952 -2.330 -5.897 1.00 0.00 O ATOM 943 OE2 GLU A 65 5.930 -2.626 -7.771 1.00 0.00 O ATOM 0 H GLU A 65 8.003 2.908 -6.426 1.00 0.00 H new ATOM 0 HA GLU A 65 6.857 0.630 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.432 0.664 -7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.566 -0.704 -6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.756 0.105 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.505 -0.251 -8.311 1.00 0.00 H new ATOM 950 N PRO A 66 8.781 1.553 -3.447 1.00 0.00 N ATOM 951 CA PRO A 66 9.929 1.705 -2.506 1.00 0.00 C ATOM 952 C PRO A 66 10.720 0.408 -2.348 1.00 0.00 C ATOM 953 O PRO A 66 10.907 -0.337 -3.309 1.00 0.00 O ATOM 954 CB PRO A 66 9.276 2.110 -1.180 1.00 0.00 C ATOM 955 CG PRO A 66 7.922 2.629 -1.535 1.00 0.00 C ATOM 956 CD PRO A 66 7.503 1.914 -2.818 1.00 0.00 C ATOM 0 HA PRO A 66 10.651 2.437 -2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.203 1.258 -0.504 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.866 2.872 -0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.210 2.435 -0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.948 3.709 -1.684 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.898 1.033 -2.606 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.908 2.562 -3.462 1.00 0.00 H new ATOM 964 N SER A 67 11.178 0.145 -1.127 1.00 0.00 N ATOM 965 CA SER A 67 11.947 -1.066 -0.855 1.00 0.00 C ATOM 966 C SER A 67 11.639 -1.594 0.544 1.00 0.00 C ATOM 967 O SER A 67 10.645 -1.209 1.158 1.00 0.00 O ATOM 968 CB SER A 67 13.444 -0.775 -0.971 1.00 0.00 C ATOM 969 OG SER A 67 14.038 -0.842 0.317 1.00 0.00 O ATOM 0 H SER A 67 11.032 0.748 -0.317 1.00 0.00 H new ATOM 0 HA SER A 67 11.666 -1.822 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.915 -1.496 -1.639 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.601 0.212 -1.405 1.00 0.00 H new ATOM 0 HG SER A 67 14.998 -0.657 0.245 1.00 0.00 H new ATOM 975 N GLN A 68 12.500 -2.479 1.040 1.00 0.00 N ATOM 976 CA GLN A 68 12.310 -3.054 2.366 1.00 0.00 C ATOM 977 C GLN A 68 12.370 -1.970 3.436 1.00 0.00 C ATOM 978 O GLN A 68 11.971 -2.190 4.579 1.00 0.00 O ATOM 979 CB GLN A 68 13.392 -4.099 2.642 1.00 0.00 C ATOM 980 CG GLN A 68 14.713 -3.639 2.023 1.00 0.00 C ATOM 981 CD GLN A 68 14.761 -4.027 0.549 1.00 0.00 C ATOM 982 OE1 GLN A 68 13.871 -4.724 0.061 1.00 0.00 O ATOM 983 NE2 GLN A 68 15.752 -3.616 -0.193 1.00 0.00 N ATOM 0 H GLN A 68 13.329 -2.811 0.547 1.00 0.00 H new ATOM 0 HA GLN A 68 11.328 -3.527 2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.511 -4.240 3.716 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.098 -5.062 2.224 1.00 0.00 H new ATOM 0 HG2 GLN A 68 14.816 -2.559 2.127 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.550 -4.092 2.554 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.488 -3.039 0.213 1.00 0.00 H new ATOM 0 HE22 GLN A 68 15.791 -3.872 -1.180 1.00 0.00 H new ATOM 992 N ASP A 69 12.872 -0.801 3.059 1.00 0.00 N ATOM 993 CA ASP A 69 12.982 0.308 3.998 1.00 0.00 C ATOM 994 C ASP A 69 11.632 0.606 4.634 1.00 0.00 C ATOM 995 O ASP A 69 11.549 1.242 5.685 1.00 0.00 O ATOM 996 CB ASP A 69 13.495 1.552 3.277 1.00 0.00 C ATOM 997 CG ASP A 69 15.014 1.632 3.392 1.00 0.00 C ATOM 998 OD1 ASP A 69 15.485 2.132 4.401 1.00 0.00 O ATOM 999 OD2 ASP A 69 15.683 1.192 2.472 1.00 0.00 O ATOM 0 H ASP A 69 13.207 -0.597 2.117 1.00 0.00 H new ATOM 0 HA ASP A 69 13.685 0.028 4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 69 13.203 1.521 2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 69 13.042 2.445 3.708 1.00 0.00 H new ATOM 1004 N THR A 70 10.585 0.133 3.984 1.00 0.00 N ATOM 1005 CA THR A 70 9.227 0.337 4.476 1.00 0.00 C ATOM 1006 C THR A 70 8.756 -0.882 5.263 1.00 0.00 C ATOM 1007 O THR A 70 9.348 -1.239 6.282 1.00 0.00 O ATOM 1008 CB THR A 70 8.278 0.590 3.303 1.00 0.00 C ATOM 1009 OG1 THR A 70 8.405 -0.463 2.358 1.00 0.00 O ATOM 1010 CG2 THR A 70 8.627 1.922 2.638 1.00 0.00 C ATOM 0 H THR A 70 10.644 -0.396 3.114 1.00 0.00 H new ATOM 0 HA THR A 70 9.225 1.205 5.136 1.00 0.00 H new ATOM 0 HB THR A 70 7.252 0.629 3.668 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.234 -0.347 1.848 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.950 2.100 1.803 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.527 2.729 3.364 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.653 1.888 2.272 1.00 0.00 H new ATOM 1018 N VAL A 71 7.693 -1.519 4.784 1.00 0.00 N ATOM 1019 CA VAL A 71 7.159 -2.699 5.458 1.00 0.00 C ATOM 1020 C VAL A 71 8.125 -3.870 5.329 1.00 0.00 C ATOM 1021 O VAL A 71 8.640 -4.146 4.245 1.00 0.00 O ATOM 1022 CB VAL A 71 5.807 -3.088 4.853 1.00 0.00 C ATOM 1023 CG1 VAL A 71 5.053 -1.830 4.428 1.00 0.00 C ATOM 1024 CG2 VAL A 71 6.035 -3.984 3.632 1.00 0.00 C ATOM 0 H VAL A 71 7.188 -1.243 3.942 1.00 0.00 H new ATOM 0 HA VAL A 71 7.028 -2.459 6.513 1.00 0.00 H new ATOM 0 HB VAL A 71 5.219 -3.626 5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.091 -2.110 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.890 -1.192 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.639 -1.288 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.074 -4.262 3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.624 -3.445 2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.570 -4.884 3.936 1.00 0.00 H new ATOM 1034 N ALA A 72 8.359 -4.560 6.438 1.00 0.00 N ATOM 1035 CA ALA A 72 9.259 -5.705 6.433 1.00 0.00 C ATOM 1036 C ALA A 72 8.856 -6.682 5.342 1.00 0.00 C ATOM 1037 O ALA A 72 9.693 -7.363 4.750 1.00 0.00 O ATOM 1038 CB ALA A 72 9.207 -6.409 7.788 1.00 0.00 C ATOM 0 H ALA A 72 7.942 -4.349 7.345 1.00 0.00 H new ATOM 0 HA ALA A 72 10.273 -5.354 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.882 -7.265 7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.512 -5.714 8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.190 -6.751 7.982 1.00 0.00 H new ATOM 1044 N THR A 73 7.561 -6.739 5.095 1.00 0.00 N ATOM 1045 CA THR A 73 7.014 -7.632 4.080 1.00 0.00 C ATOM 1046 C THR A 73 7.008 -6.961 2.709 1.00 0.00 C ATOM 1047 O THR A 73 7.648 -5.929 2.508 1.00 0.00 O ATOM 1048 CB THR A 73 5.588 -8.038 4.463 1.00 0.00 C ATOM 1049 OG1 THR A 73 5.537 -8.318 5.855 1.00 0.00 O ATOM 1050 CG2 THR A 73 5.173 -9.284 3.675 1.00 0.00 C ATOM 0 H THR A 73 6.863 -6.177 5.583 1.00 0.00 H new ATOM 0 HA THR A 73 7.645 -8.519 4.026 1.00 0.00 H new ATOM 0 HB THR A 73 4.905 -7.222 4.228 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.625 -8.577 6.103 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.158 -9.568 3.952 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.211 -9.069 2.607 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.854 -10.103 3.905 1.00 0.00 H new ATOM 1058 N GLU A 74 6.280 -7.559 1.770 1.00 0.00 N ATOM 1059 CA GLU A 74 6.194 -7.019 0.417 1.00 0.00 C ATOM 1060 C GLU A 74 7.581 -6.684 -0.121 1.00 0.00 C ATOM 1061 O GLU A 74 8.006 -5.529 -0.100 1.00 0.00 O ATOM 1062 CB GLU A 74 5.325 -5.759 0.410 1.00 0.00 C ATOM 1063 CG GLU A 74 4.563 -5.667 -0.914 1.00 0.00 C ATOM 1064 CD GLU A 74 3.479 -4.599 -0.817 1.00 0.00 C ATOM 1065 OE1 GLU A 74 3.809 -3.479 -0.463 1.00 0.00 O ATOM 1066 OE2 GLU A 74 2.335 -4.917 -1.095 1.00 0.00 O ATOM 0 H GLU A 74 5.744 -8.414 1.920 1.00 0.00 H new ATOM 0 HA GLU A 74 5.743 -7.776 -0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.623 -5.785 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.948 -4.875 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.252 -5.426 -1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.115 -6.631 -1.153 1.00 0.00 H new ATOM 1073 N PRO A 75 8.285 -7.671 -0.604 1.00 0.00 N ATOM 1074 CA PRO A 75 9.653 -7.486 -1.168 1.00 0.00 C ATOM 1075 C PRO A 75 9.708 -6.330 -2.164 1.00 0.00 C ATOM 1076 O PRO A 75 8.739 -5.586 -2.318 1.00 0.00 O ATOM 1077 CB PRO A 75 9.948 -8.819 -1.860 1.00 0.00 C ATOM 1078 CG PRO A 75 9.083 -9.824 -1.173 1.00 0.00 C ATOM 1079 CD PRO A 75 7.851 -9.075 -0.664 1.00 0.00 C ATOM 0 HA PRO A 75 10.383 -7.234 -0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.720 -8.767 -2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.002 -9.082 -1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.795 -10.620 -1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.618 -10.294 -0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.002 -9.201 -1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.540 -9.438 0.315 1.00 0.00 H new ATOM 1087 N SER A 76 10.843 -6.186 -2.839 1.00 0.00 N ATOM 1088 CA SER A 76 11.006 -5.117 -3.816 1.00 0.00 C ATOM 1089 C SER A 76 11.850 -5.591 -4.995 1.00 0.00 C ATOM 1090 O SER A 76 12.210 -6.765 -5.083 1.00 0.00 O ATOM 1091 CB SER A 76 11.674 -3.908 -3.162 1.00 0.00 C ATOM 1092 OG SER A 76 12.945 -3.692 -3.762 1.00 0.00 O ATOM 0 H SER A 76 11.657 -6.791 -2.729 1.00 0.00 H new ATOM 0 HA SER A 76 10.019 -4.833 -4.182 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.048 -3.024 -3.281 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.788 -4.076 -2.091 1.00 0.00 H new ATOM 0 HG SER A 76 13.652 -3.934 -3.127 1.00 0.00 H new ATOM 1098 N GLU A 77 12.161 -4.667 -5.897 1.00 0.00 N ATOM 1099 CA GLU A 77 12.965 -4.994 -7.068 1.00 0.00 C ATOM 1100 C GLU A 77 14.434 -5.078 -6.700 1.00 0.00 C ATOM 1101 O GLU A 77 15.008 -6.160 -6.586 1.00 0.00 O ATOM 1102 CB GLU A 77 12.779 -3.922 -8.144 1.00 0.00 C ATOM 1103 CG GLU A 77 11.324 -3.917 -8.618 1.00 0.00 C ATOM 1104 CD GLU A 77 11.174 -2.997 -9.824 1.00 0.00 C ATOM 1105 OE1 GLU A 77 11.595 -3.391 -10.900 1.00 0.00 O ATOM 1106 OE2 GLU A 77 10.642 -1.912 -9.656 1.00 0.00 O ATOM 0 H GLU A 77 11.870 -3.691 -5.841 1.00 0.00 H new ATOM 0 HA GLU A 77 12.637 -5.961 -7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.046 -2.943 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.445 -4.117 -8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.015 -4.929 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.671 -3.583 -7.812 1.00 0.00 H new ATOM 1113 N VAL A 78 15.027 -3.915 -6.525 1.00 0.00 N ATOM 1114 CA VAL A 78 16.437 -3.820 -6.174 1.00 0.00 C ATOM 1115 C VAL A 78 16.595 -3.288 -4.753 1.00 0.00 C ATOM 1116 O VAL A 78 15.768 -3.562 -3.883 1.00 0.00 O ATOM 1117 CB VAL A 78 17.145 -2.894 -7.165 1.00 0.00 C ATOM 1118 CG1 VAL A 78 16.775 -1.441 -6.870 1.00 0.00 C ATOM 1119 CG2 VAL A 78 18.658 -3.075 -7.045 1.00 0.00 C ATOM 0 H VAL A 78 14.555 -3.016 -6.620 1.00 0.00 H new ATOM 0 HA VAL A 78 16.886 -4.812 -6.222 1.00 0.00 H new ATOM 0 HB VAL A 78 16.831 -3.144 -8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 78 17.282 -0.786 -7.578 1.00 0.00 H new ATOM 0 HG12 VAL A 78 15.697 -1.314 -6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 78 17.082 -1.186 -5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 78 19.161 -2.415 -7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.974 -2.830 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.919 -4.110 -7.266 1.00 0.00 H new ATOM 1129 N GLU A 79 17.659 -2.528 -4.523 1.00 0.00 N ATOM 1130 CA GLU A 79 17.910 -1.966 -3.201 1.00 0.00 C ATOM 1131 C GLU A 79 18.240 -0.480 -3.302 1.00 0.00 C ATOM 1132 O GLU A 79 18.574 0.021 -4.375 1.00 0.00 O ATOM 1133 CB GLU A 79 19.073 -2.698 -2.531 1.00 0.00 C ATOM 1134 CG GLU A 79 18.600 -4.064 -2.027 1.00 0.00 C ATOM 1135 CD GLU A 79 19.801 -4.928 -1.658 1.00 0.00 C ATOM 1136 OE1 GLU A 79 20.905 -4.409 -1.678 1.00 0.00 O ATOM 1137 OE2 GLU A 79 19.599 -6.093 -1.361 1.00 0.00 O ATOM 0 H GLU A 79 18.356 -2.288 -5.228 1.00 0.00 H new ATOM 0 HA GLU A 79 17.008 -2.089 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.892 -2.824 -3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.458 -2.106 -1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.953 -3.937 -1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 79 18.008 -4.560 -2.796 1.00 0.00 H new ATOM 1144 N GLY A 80 18.151 0.216 -2.172 1.00 0.00 N ATOM 1145 CA GLY A 80 18.449 1.643 -2.138 1.00 0.00 C ATOM 1146 C GLY A 80 17.376 2.451 -2.859 1.00 0.00 C ATOM 1147 O GLY A 80 17.345 2.501 -4.088 1.00 0.00 O ATOM 0 H GLY A 80 17.877 -0.182 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.524 1.976 -1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.418 1.825 -2.603 1.00 0.00 H new ATOM 1151 N SER A 81 16.502 3.086 -2.085 1.00 0.00 N ATOM 1152 CA SER A 81 15.434 3.896 -2.655 1.00 0.00 C ATOM 1153 C SER A 81 15.631 5.365 -2.293 1.00 0.00 C ATOM 1154 O SER A 81 16.643 5.735 -1.699 1.00 0.00 O ATOM 1155 CB SER A 81 14.082 3.415 -2.132 1.00 0.00 C ATOM 1156 OG SER A 81 14.252 2.857 -0.836 1.00 0.00 O ATOM 0 H SER A 81 16.513 3.055 -1.066 1.00 0.00 H new ATOM 0 HA SER A 81 15.460 3.793 -3.740 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.377 4.246 -2.093 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.661 2.671 -2.809 1.00 0.00 H new ATOM 0 HG SER A 81 13.386 2.549 -0.496 1.00 0.00 H new ATOM 1162 N ALA A 82 14.660 6.199 -2.650 1.00 0.00 N ATOM 1163 CA ALA A 82 14.742 7.623 -2.355 1.00 0.00 C ATOM 1164 C ALA A 82 15.249 7.845 -0.932 1.00 0.00 C ATOM 1165 O ALA A 82 15.248 6.926 -0.113 1.00 0.00 O ATOM 1166 CB ALA A 82 13.365 8.265 -2.519 1.00 0.00 C ATOM 0 H ALA A 82 13.812 5.915 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 82 15.442 8.084 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.431 9.330 -2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.020 8.129 -3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.660 7.795 -1.833 1.00 0.00 H new ATOM 1172 N ALA A 83 15.680 9.069 -0.643 1.00 0.00 N ATOM 1173 CA ALA A 83 16.185 9.398 0.686 1.00 0.00 C ATOM 1174 C ALA A 83 15.069 9.954 1.553 1.00 0.00 C ATOM 1175 O ALA A 83 15.019 9.718 2.760 1.00 0.00 O ATOM 1176 CB ALA A 83 17.310 10.429 0.576 1.00 0.00 C ATOM 0 H ALA A 83 15.690 9.844 -1.306 1.00 0.00 H new ATOM 0 HA ALA A 83 16.571 8.488 1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 83 17.682 10.670 1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 83 18.122 10.019 -0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.929 11.334 0.103 1.00 0.00 H new ATOM 1182 N ASN A 84 14.180 10.692 0.918 1.00 0.00 N ATOM 1183 CA ASN A 84 13.050 11.296 1.613 1.00 0.00 C ATOM 1184 C ASN A 84 13.433 11.667 3.043 1.00 0.00 C ATOM 1185 O ASN A 84 13.062 10.982 3.996 1.00 0.00 O ATOM 1186 CB ASN A 84 11.870 10.322 1.628 1.00 0.00 C ATOM 1187 CG ASN A 84 10.741 10.857 0.753 1.00 0.00 C ATOM 1188 OD1 ASN A 84 10.078 11.828 1.118 1.00 0.00 O ATOM 1189 ND2 ASN A 84 10.481 10.279 -0.388 1.00 0.00 N ATOM 0 H ASN A 84 14.215 10.891 -0.082 1.00 0.00 H new ATOM 0 HA ASN A 84 12.763 12.205 1.084 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.190 9.345 1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.515 10.183 2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.728 10.632 -0.978 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.031 9.475 -0.689 1.00 0.00 H new ATOM 1196 N LYS A 85 14.177 12.760 3.182 1.00 0.00 N ATOM 1197 CA LYS A 85 14.606 13.221 4.496 1.00 0.00 C ATOM 1198 C LYS A 85 14.151 14.660 4.725 1.00 0.00 C ATOM 1199 O LYS A 85 13.455 15.238 3.890 1.00 0.00 O ATOM 1200 CB LYS A 85 16.131 13.138 4.609 1.00 0.00 C ATOM 1201 CG LYS A 85 16.515 12.008 5.569 1.00 0.00 C ATOM 1202 CD LYS A 85 18.014 11.723 5.455 1.00 0.00 C ATOM 1203 CE LYS A 85 18.495 11.011 6.722 1.00 0.00 C ATOM 1204 NZ LYS A 85 19.859 10.456 6.492 1.00 0.00 N ATOM 0 H LYS A 85 14.493 13.340 2.405 1.00 0.00 H new ATOM 0 HA LYS A 85 14.155 12.581 5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.569 12.959 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.531 14.086 4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.265 12.286 6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.945 11.109 5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.212 11.104 4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.563 12.655 5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.511 11.708 7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.805 10.210 6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.187 9.972 7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.830 9.778 5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.514 11.230 6.259 1.00 0.00 H new ATOM 1218 N GLU A 86 14.545 15.230 5.858 1.00 0.00 N ATOM 1219 CA GLU A 86 14.165 16.599 6.181 1.00 0.00 C ATOM 1220 C GLU A 86 14.844 17.584 5.236 1.00 0.00 C ATOM 1221 O GLU A 86 14.523 18.773 5.227 1.00 0.00 O ATOM 1222 CB GLU A 86 14.550 16.922 7.625 1.00 0.00 C ATOM 1223 CG GLU A 86 15.904 16.288 7.948 1.00 0.00 C ATOM 1224 CD GLU A 86 15.705 15.041 8.803 1.00 0.00 C ATOM 1225 OE1 GLU A 86 15.108 15.161 9.860 1.00 0.00 O ATOM 1226 OE2 GLU A 86 16.152 13.984 8.388 1.00 0.00 O ATOM 0 H GLU A 86 15.122 14.770 6.562 1.00 0.00 H new ATOM 0 HA GLU A 86 13.085 16.692 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.599 18.002 7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.788 16.546 8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.422 16.027 7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.534 17.004 8.476 1.00 0.00 H new ATOM 1233 N VAL A 87 15.782 17.082 4.439 1.00 0.00 N ATOM 1234 CA VAL A 87 16.498 17.927 3.490 1.00 0.00 C ATOM 1235 C VAL A 87 16.859 17.150 2.232 1.00 0.00 C ATOM 1236 O VAL A 87 17.569 16.145 2.291 1.00 0.00 O ATOM 1237 CB VAL A 87 17.784 18.467 4.119 1.00 0.00 C ATOM 1238 CG1 VAL A 87 18.495 19.377 3.115 1.00 0.00 C ATOM 1239 CG2 VAL A 87 17.446 19.265 5.379 1.00 0.00 C ATOM 0 H VAL A 87 16.063 16.101 4.431 1.00 0.00 H new ATOM 0 HA VAL A 87 15.839 18.754 3.226 1.00 0.00 H new ATOM 0 HB VAL A 87 18.435 17.634 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.412 19.764 3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 87 18.739 18.808 2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 87 17.841 20.208 2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 87 18.364 19.648 5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 87 16.794 20.099 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 87 16.938 18.618 6.094 1.00 0.00 H new ATOM 1249 N LEU A 88 16.383 17.634 1.093 1.00 0.00 N ATOM 1250 CA LEU A 88 16.677 16.994 -0.179 1.00 0.00 C ATOM 1251 C LEU A 88 17.985 17.537 -0.723 1.00 0.00 C ATOM 1252 O LEU A 88 18.698 16.868 -1.469 1.00 0.00 O ATOM 1253 CB LEU A 88 15.555 17.273 -1.174 1.00 0.00 C ATOM 1254 CG LEU A 88 14.276 16.592 -0.699 1.00 0.00 C ATOM 1255 CD1 LEU A 88 13.492 17.555 0.192 1.00 0.00 C ATOM 1256 CD2 LEU A 88 13.428 16.212 -1.914 1.00 0.00 C ATOM 0 H LEU A 88 15.794 18.464 1.025 1.00 0.00 H new ATOM 0 HA LEU A 88 16.760 15.917 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.395 18.347 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.831 16.905 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 88 14.524 15.694 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 88 12.577 17.071 0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.100 17.830 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 88 13.239 18.451 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 88 12.512 15.725 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 88 13.176 17.111 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 88 13.991 15.530 -2.551 1.00 0.00 H new ATOM 1268 N ALA A 89 18.286 18.757 -0.318 1.00 0.00 N ATOM 1269 CA ALA A 89 19.510 19.425 -0.735 1.00 0.00 C ATOM 1270 C ALA A 89 19.696 19.332 -2.245 1.00 0.00 C ATOM 1271 O ALA A 89 20.273 18.371 -2.753 1.00 0.00 O ATOM 1272 CB ALA A 89 20.704 18.796 -0.023 1.00 0.00 C ATOM 0 H ALA A 89 17.697 19.311 0.304 1.00 0.00 H new ATOM 0 HA ALA A 89 19.438 20.479 -0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 89 21.620 19.297 -0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 89 20.582 18.903 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 89 20.764 17.738 -0.278 1.00 0.00 H new ATOM 1278 N LYS A 90 19.202 20.343 -2.955 1.00 0.00 N ATOM 1279 CA LYS A 90 19.313 20.376 -4.408 1.00 0.00 C ATOM 1280 C LYS A 90 20.077 21.619 -4.861 1.00 0.00 C ATOM 1281 O LYS A 90 20.744 22.278 -4.063 1.00 0.00 O ATOM 1282 CB LYS A 90 17.910 20.387 -5.030 1.00 0.00 C ATOM 1283 CG LYS A 90 17.727 19.190 -5.975 1.00 0.00 C ATOM 1284 CD LYS A 90 17.242 17.958 -5.192 1.00 0.00 C ATOM 1285 CE LYS A 90 18.431 17.146 -4.662 1.00 0.00 C ATOM 1286 NZ LYS A 90 18.173 15.695 -4.880 1.00 0.00 N ATOM 0 H LYS A 90 18.723 21.147 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 90 19.857 19.490 -4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.157 20.354 -4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 90 17.757 21.317 -5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.007 19.440 -6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.670 18.964 -6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.613 18.275 -4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.626 17.331 -5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 90 19.347 17.445 -5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 90 18.578 17.345 -3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 18.977 15.142 -4.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.308 15.416 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 18.053 15.513 -5.897 1.00 0.00 H new ATOM 1300 N VAL A 91 19.963 21.935 -6.147 1.00 0.00 N ATOM 1301 CA VAL A 91 20.633 23.104 -6.708 1.00 0.00 C ATOM 1302 C VAL A 91 22.041 23.263 -6.144 1.00 0.00 C ATOM 1303 O VAL A 91 22.668 24.310 -6.310 1.00 0.00 O ATOM 1304 CB VAL A 91 19.819 24.362 -6.406 1.00 0.00 C ATOM 1305 CG1 VAL A 91 20.420 25.556 -7.154 1.00 0.00 C ATOM 1306 CG2 VAL A 91 18.372 24.150 -6.860 1.00 0.00 C ATOM 0 H VAL A 91 19.414 21.399 -6.820 1.00 0.00 H new ATOM 0 HA VAL A 91 20.710 22.961 -7.786 1.00 0.00 H new ATOM 0 HB VAL A 91 19.841 24.560 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 91 19.838 26.452 -6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 91 21.450 25.706 -6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 91 20.400 25.361 -8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.789 25.046 -6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 91 18.352 23.952 -7.932 1.00 0.00 H new ATOM 0 HG23 VAL A 91 17.944 23.302 -6.326 1.00 0.00 H new ATOM 1316 N ILE A 92 22.540 22.225 -5.482 1.00 0.00 N ATOM 1317 CA ILE A 92 23.880 22.278 -4.909 1.00 0.00 C ATOM 1318 C ILE A 92 24.840 22.974 -5.869 1.00 0.00 C ATOM 1319 O ILE A 92 24.921 22.619 -7.045 1.00 0.00 O ATOM 1320 CB ILE A 92 24.380 20.862 -4.621 1.00 0.00 C ATOM 1321 CG1 ILE A 92 24.272 20.015 -5.891 1.00 0.00 C ATOM 1322 CG2 ILE A 92 23.528 20.234 -3.517 1.00 0.00 C ATOM 1323 CD1 ILE A 92 24.359 18.532 -5.525 1.00 0.00 C ATOM 0 H ILE A 92 22.044 21.347 -5.330 1.00 0.00 H new ATOM 0 HA ILE A 92 23.838 22.843 -3.978 1.00 0.00 H new ATOM 0 HB ILE A 92 25.420 20.903 -4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 92 23.330 20.220 -6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 92 25.071 20.277 -6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 92 23.885 19.225 -3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 92 23.604 20.837 -2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 92 22.488 20.193 -3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 92 24.282 17.929 -6.430 1.00 0.00 H new ATOM 0 HD12 ILE A 92 25.313 18.333 -5.036 1.00 0.00 H new ATOM 0 HD13 ILE A 92 23.544 18.276 -4.848 1.00 0.00 H new ATOM 1335 N ASP A 93 25.563 23.968 -5.362 1.00 0.00 N ATOM 1336 CA ASP A 93 26.511 24.705 -6.190 1.00 0.00 C ATOM 1337 C ASP A 93 27.377 25.620 -5.332 1.00 0.00 C ATOM 1338 O ASP A 93 26.879 26.548 -4.694 1.00 0.00 O ATOM 1339 CB ASP A 93 25.761 25.539 -7.230 1.00 0.00 C ATOM 1340 CG ASP A 93 26.522 25.533 -8.552 1.00 0.00 C ATOM 1341 OD1 ASP A 93 26.657 24.468 -9.131 1.00 0.00 O ATOM 1342 OD2 ASP A 93 26.959 26.595 -8.965 1.00 0.00 O ATOM 0 H ASP A 93 25.512 24.279 -4.392 1.00 0.00 H new ATOM 0 HA ASP A 93 27.154 23.985 -6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.759 25.137 -7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 93 25.645 26.562 -6.873 1.00 0.00 H new ATOM 1347 N LEU A 94 28.675 25.348 -5.326 1.00 0.00 N ATOM 1348 CA LEU A 94 29.614 26.145 -4.547 1.00 0.00 C ATOM 1349 C LEU A 94 31.004 26.060 -5.157 1.00 0.00 C ATOM 1350 O LEU A 94 31.380 26.873 -6.000 1.00 0.00 O ATOM 1351 CB LEU A 94 29.657 25.642 -3.100 1.00 0.00 C ATOM 1352 CG LEU A 94 28.446 26.168 -2.319 1.00 0.00 C ATOM 1353 CD1 LEU A 94 27.318 25.134 -2.353 1.00 0.00 C ATOM 1354 CD2 LEU A 94 28.855 26.420 -0.865 1.00 0.00 C ATOM 0 H LEU A 94 29.101 24.584 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 94 29.282 27.183 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 94 29.662 24.552 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 94 30.579 25.971 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 94 28.099 27.096 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 94 26.460 25.513 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 94 27.027 24.947 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 94 27.663 24.205 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 94 27.998 26.794 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 94 29.202 25.488 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 94 29.657 27.157 -0.835 1.00 0.00 H new ATOM 1366 N THR A 95 31.754 25.066 -4.722 1.00 0.00 N ATOM 1367 CA THR A 95 33.108 24.859 -5.221 1.00 0.00 C ATOM 1368 C THR A 95 33.274 23.433 -5.735 1.00 0.00 C ATOM 1369 O THR A 95 33.014 23.150 -6.905 1.00 0.00 O ATOM 1370 CB THR A 95 34.121 25.126 -4.107 1.00 0.00 C ATOM 1371 OG1 THR A 95 35.393 24.628 -4.494 1.00 0.00 O ATOM 1372 CG2 THR A 95 33.667 24.431 -2.822 1.00 0.00 C ATOM 0 H THR A 95 31.452 24.386 -4.024 1.00 0.00 H new ATOM 0 HA THR A 95 33.285 25.552 -6.043 1.00 0.00 H new ATOM 0 HB THR A 95 34.190 26.199 -3.930 1.00 0.00 H new ATOM 0 HG1 THR A 95 36.043 24.801 -3.781 1.00 0.00 H new ATOM 0 HG21 THR A 95 34.390 24.623 -2.030 1.00 0.00 H new ATOM 0 HG22 THR A 95 32.692 24.817 -2.524 1.00 0.00 H new ATOM 0 HG23 THR A 95 33.595 23.357 -2.995 1.00 0.00 H new ATOM 1380 N HIS A 96 33.707 22.539 -4.854 1.00 0.00 N ATOM 1381 CA HIS A 96 33.902 21.144 -5.229 1.00 0.00 C ATOM 1382 C HIS A 96 32.766 20.284 -4.680 1.00 0.00 C ATOM 1383 O HIS A 96 31.592 20.578 -4.906 1.00 0.00 O ATOM 1384 CB HIS A 96 35.243 20.645 -4.686 1.00 0.00 C ATOM 1385 CG HIS A 96 35.357 21.002 -3.230 1.00 0.00 C ATOM 1386 ND1 HIS A 96 34.336 20.756 -2.326 1.00 0.00 N ATOM 1387 CD2 HIS A 96 36.364 21.591 -2.506 1.00 0.00 C ATOM 1388 CE1 HIS A 96 34.747 21.191 -1.120 1.00 0.00 C ATOM 1389 NE2 HIS A 96 35.977 21.710 -1.174 1.00 0.00 N ATOM 0 H HIS A 96 33.928 22.753 -3.882 1.00 0.00 H new ATOM 0 HA HIS A 96 33.904 21.068 -6.316 1.00 0.00 H new ATOM 0 HB2 HIS A 96 35.320 19.565 -4.814 1.00 0.00 H new ATOM 0 HB3 HIS A 96 36.064 21.092 -5.247 1.00 0.00 H new ATOM 0 HD2 HIS A 96 37.313 21.913 -2.909 1.00 0.00 H new ATOM 0 HE1 HIS A 96 34.155 21.128 -0.219 1.00 0.00 H new ATOM 0 HE2 HIS A 96 36.516 22.108 -0.405 1.00 0.00 H new ATOM 1397 N ASP A 97 33.121 19.226 -3.956 1.00 0.00 N ATOM 1398 CA ASP A 97 32.121 18.335 -3.377 1.00 0.00 C ATOM 1399 C ASP A 97 30.831 18.368 -4.191 1.00 0.00 C ATOM 1400 O ASP A 97 29.737 18.459 -3.635 1.00 0.00 O ATOM 1401 CB ASP A 97 31.826 18.754 -1.936 1.00 0.00 C ATOM 1402 CG ASP A 97 31.611 17.521 -1.065 1.00 0.00 C ATOM 1403 OD1 ASP A 97 30.832 16.669 -1.460 1.00 0.00 O ATOM 1404 OD2 ASP A 97 32.229 17.447 -0.016 1.00 0.00 O ATOM 0 H ASP A 97 34.087 18.966 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 97 32.517 17.319 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 97 32.654 19.346 -1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 97 30.940 19.388 -1.908 1.00 0.00 H new ATOM 1409 N ASN A 98 30.967 18.298 -5.512 1.00 0.00 N ATOM 1410 CA ASN A 98 29.803 18.324 -6.391 1.00 0.00 C ATOM 1411 C ASN A 98 29.244 16.918 -6.588 1.00 0.00 C ATOM 1412 O ASN A 98 29.046 16.179 -5.624 1.00 0.00 O ATOM 1413 CB ASN A 98 30.189 18.917 -7.748 1.00 0.00 C ATOM 1414 CG ASN A 98 28.936 19.232 -8.559 1.00 0.00 C ATOM 1415 OD1 ASN A 98 29.030 19.594 -9.732 1.00 0.00 O ATOM 1416 ND2 ASN A 98 27.761 19.116 -8.002 1.00 0.00 N ATOM 0 H ASN A 98 31.863 18.224 -5.994 1.00 0.00 H new ATOM 0 HA ASN A 98 29.035 18.943 -5.927 1.00 0.00 H new ATOM 0 HB2 ASN A 98 30.775 19.824 -7.603 1.00 0.00 H new ATOM 0 HB3 ASN A 98 30.818 18.215 -8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 98 26.919 19.325 -8.539 1.00 0.00 H new ATOM 0 HD22 ASN A 98 27.685 18.816 -7.030 1.00 0.00 H new ATOM 1423 N LYS A 99 28.993 16.556 -7.842 1.00 0.00 N ATOM 1424 CA LYS A 99 28.458 15.236 -8.154 1.00 0.00 C ATOM 1425 C LYS A 99 29.578 14.210 -8.248 1.00 0.00 C ATOM 1426 O LYS A 99 30.029 13.667 -7.242 1.00 0.00 O ATOM 1427 CB LYS A 99 27.688 15.278 -9.476 1.00 0.00 C ATOM 1428 CG LYS A 99 28.307 16.328 -10.401 1.00 0.00 C ATOM 1429 CD LYS A 99 27.643 16.250 -11.779 1.00 0.00 C ATOM 1430 CE LYS A 99 28.157 17.390 -12.660 1.00 0.00 C ATOM 1431 NZ LYS A 99 29.337 16.921 -13.440 1.00 0.00 N ATOM 0 H LYS A 99 29.150 17.154 -8.653 1.00 0.00 H new ATOM 0 HA LYS A 99 27.781 14.944 -7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 99 27.713 14.299 -9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 99 26.640 15.515 -9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 99 28.175 17.324 -9.978 1.00 0.00 H new ATOM 0 HG3 LYS A 99 29.380 16.160 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 99 27.861 15.289 -12.245 1.00 0.00 H new ATOM 0 HD3 LYS A 99 26.560 16.316 -11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 99 27.370 17.725 -13.336 1.00 0.00 H new ATOM 0 HE3 LYS A 99 28.432 18.245 -12.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 29.687 17.696 -14.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 30.089 16.622 -12.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 29.060 16.118 -14.039 1.00 0.00 H new ATOM 1445 N ASP A 100 30.018 13.950 -9.467 1.00 0.00 N ATOM 1446 CA ASP A 100 31.087 12.984 -9.695 1.00 0.00 C ATOM 1447 C ASP A 100 32.207 13.175 -8.676 1.00 0.00 C ATOM 1448 O ASP A 100 33.003 12.267 -8.435 1.00 0.00 O ATOM 1449 CB ASP A 100 31.650 13.152 -11.108 1.00 0.00 C ATOM 1450 CG ASP A 100 30.806 12.365 -12.104 1.00 0.00 C ATOM 1451 OD1 ASP A 100 30.133 11.439 -11.680 1.00 0.00 O ATOM 1452 OD2 ASP A 100 30.844 12.698 -13.277 1.00 0.00 O ATOM 0 H ASP A 100 29.656 14.390 -10.313 1.00 0.00 H new ATOM 0 HA ASP A 100 30.675 11.981 -9.584 1.00 0.00 H new ATOM 0 HB2 ASP A 100 31.660 14.207 -11.381 1.00 0.00 H new ATOM 0 HB3 ASP A 100 32.683 12.805 -11.140 1.00 0.00 H new ATOM 1457 N ASP A 101 32.262 14.362 -8.082 1.00 0.00 N ATOM 1458 CA ASP A 101 33.290 14.664 -7.091 1.00 0.00 C ATOM 1459 C ASP A 101 33.153 13.757 -5.872 1.00 0.00 C ATOM 1460 O ASP A 101 34.084 13.035 -5.518 1.00 0.00 O ATOM 1461 CB ASP A 101 33.182 16.125 -6.653 1.00 0.00 C ATOM 1462 CG ASP A 101 34.573 16.696 -6.400 1.00 0.00 C ATOM 1463 OD1 ASP A 101 35.487 16.319 -7.117 1.00 0.00 O ATOM 1464 OD2 ASP A 101 34.705 17.501 -5.493 1.00 0.00 O ATOM 0 H ASP A 101 31.612 15.126 -8.267 1.00 0.00 H new ATOM 0 HA ASP A 101 34.264 14.491 -7.549 1.00 0.00 H new ATOM 0 HB2 ASP A 101 32.675 16.708 -7.422 1.00 0.00 H new ATOM 0 HB3 ASP A 101 32.579 16.199 -5.748 1.00 0.00 H new ATOM 1469 N LEU A 102 31.990 13.803 -5.230 1.00 0.00 N ATOM 1470 CA LEU A 102 31.755 12.981 -4.049 1.00 0.00 C ATOM 1471 C LEU A 102 31.435 11.555 -4.434 1.00 0.00 C ATOM 1472 O LEU A 102 31.755 10.635 -3.710 1.00 0.00 O ATOM 1473 CB LEU A 102 30.575 13.516 -3.237 1.00 0.00 C ATOM 1474 CG LEU A 102 29.356 13.686 -4.154 1.00 0.00 C ATOM 1475 CD1 LEU A 102 28.642 12.339 -4.357 1.00 0.00 C ATOM 1476 CD2 LEU A 102 28.383 14.677 -3.519 1.00 0.00 C ATOM 0 H LEU A 102 31.204 14.393 -5.503 1.00 0.00 H new ATOM 0 HA LEU A 102 32.669 13.014 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 102 30.339 12.830 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 102 30.837 14.471 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 102 29.693 14.057 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 102 27.780 12.479 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 102 29.331 11.627 -4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 102 28.308 11.955 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 102 27.515 14.801 -4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 102 28.060 14.299 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 102 28.878 15.639 -3.387 1.00 0.00 H new ATOM 1488 N GLN A 103 30.781 11.379 -5.564 1.00 0.00 N ATOM 1489 CA GLN A 103 30.404 10.047 -6.002 1.00 0.00 C ATOM 1490 C GLN A 103 31.642 9.240 -6.301 1.00 0.00 C ATOM 1491 O GLN A 103 31.726 8.046 -6.004 1.00 0.00 O ATOM 1492 CB GLN A 103 29.522 10.156 -7.243 1.00 0.00 C ATOM 1493 CG GLN A 103 28.159 9.520 -6.967 1.00 0.00 C ATOM 1494 CD GLN A 103 27.181 9.880 -8.080 1.00 0.00 C ATOM 1495 OE1 GLN A 103 27.459 10.763 -8.892 1.00 0.00 O ATOM 1496 NE2 GLN A 103 26.045 9.244 -8.167 1.00 0.00 N ATOM 0 H GLN A 103 30.501 12.132 -6.192 1.00 0.00 H new ATOM 0 HA GLN A 103 29.845 9.543 -5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 103 29.396 11.203 -7.520 1.00 0.00 H new ATOM 0 HB3 GLN A 103 30.002 9.659 -8.086 1.00 0.00 H new ATOM 0 HG2 GLN A 103 28.261 8.437 -6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 103 27.774 9.866 -6.008 1.00 0.00 H new ATOM 0 HE21 GLN A 103 25.817 8.513 -7.493 1.00 0.00 H new ATOM 0 HE22 GLN A 103 25.385 9.478 -8.909 1.00 0.00 H new ATOM 1505 N ALA A 104 32.601 9.913 -6.886 1.00 0.00 N ATOM 1506 CA ALA A 104 33.847 9.289 -7.239 1.00 0.00 C ATOM 1507 C ALA A 104 34.752 9.152 -6.020 1.00 0.00 C ATOM 1508 O ALA A 104 35.268 8.072 -5.745 1.00 0.00 O ATOM 1509 CB ALA A 104 34.529 10.120 -8.319 1.00 0.00 C ATOM 0 H ALA A 104 32.539 10.902 -7.129 1.00 0.00 H new ATOM 0 HA ALA A 104 33.650 8.286 -7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 104 35.475 9.654 -8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 104 33.885 10.176 -9.196 1.00 0.00 H new ATOM 0 HB3 ALA A 104 34.716 11.125 -7.941 1.00 0.00 H new ATOM 1515 N ALA A 105 34.928 10.241 -5.286 1.00 0.00 N ATOM 1516 CA ALA A 105 35.758 10.204 -4.090 1.00 0.00 C ATOM 1517 C ALA A 105 35.178 9.198 -3.102 1.00 0.00 C ATOM 1518 O ALA A 105 35.895 8.381 -2.521 1.00 0.00 O ATOM 1519 CB ALA A 105 35.804 11.591 -3.447 1.00 0.00 C ATOM 0 H ALA A 105 34.514 11.150 -5.493 1.00 0.00 H new ATOM 0 HA ALA A 105 36.770 9.904 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 105 36.426 11.557 -2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 105 36.224 12.306 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 105 34.795 11.900 -3.175 1.00 0.00 H new ATOM 1525 N ILE A 106 33.864 9.268 -2.937 1.00 0.00 N ATOM 1526 CA ILE A 106 33.152 8.374 -2.036 1.00 0.00 C ATOM 1527 C ILE A 106 33.269 6.936 -2.495 1.00 0.00 C ATOM 1528 O ILE A 106 33.466 6.042 -1.688 1.00 0.00 O ATOM 1529 CB ILE A 106 31.682 8.731 -1.997 1.00 0.00 C ATOM 1530 CG1 ILE A 106 31.494 10.107 -1.349 1.00 0.00 C ATOM 1531 CG2 ILE A 106 30.930 7.677 -1.189 1.00 0.00 C ATOM 1532 CD1 ILE A 106 31.426 9.949 0.171 1.00 0.00 C ATOM 0 H ILE A 106 33.267 9.940 -3.419 1.00 0.00 H new ATOM 0 HA ILE A 106 33.598 8.484 -1.048 1.00 0.00 H new ATOM 0 HB ILE A 106 31.291 8.762 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 106 32.320 10.765 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 106 30.581 10.573 -1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.870 7.930 -1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 106 31.057 6.701 -1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 106 31.325 7.646 -0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 106 31.292 10.927 0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 106 30.586 9.306 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 106 32.352 9.501 0.532 1.00 0.00 H new ATOM 1544 N ALA A 107 33.115 6.718 -3.793 1.00 0.00 N ATOM 1545 CA ALA A 107 33.184 5.371 -4.339 1.00 0.00 C ATOM 1546 C ALA A 107 34.599 4.812 -4.249 1.00 0.00 C ATOM 1547 O ALA A 107 34.795 3.639 -3.931 1.00 0.00 O ATOM 1548 CB ALA A 107 32.735 5.391 -5.791 1.00 0.00 C ATOM 0 H ALA A 107 32.943 7.450 -4.482 1.00 0.00 H new ATOM 0 HA ALA A 107 32.526 4.728 -3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 107 32.786 4.383 -6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 107 31.709 5.755 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 107 33.387 6.050 -6.364 1.00 0.00 H new ATOM 1554 N LEU A 108 35.582 5.656 -4.534 1.00 0.00 N ATOM 1555 CA LEU A 108 36.976 5.236 -4.486 1.00 0.00 C ATOM 1556 C LEU A 108 37.384 4.897 -3.057 1.00 0.00 C ATOM 1557 O LEU A 108 38.185 3.991 -2.828 1.00 0.00 O ATOM 1558 CB LEU A 108 37.876 6.350 -5.025 1.00 0.00 C ATOM 1559 CG LEU A 108 39.096 5.732 -5.713 1.00 0.00 C ATOM 1560 CD1 LEU A 108 38.786 5.502 -7.193 1.00 0.00 C ATOM 1561 CD2 LEU A 108 40.290 6.681 -5.584 1.00 0.00 C ATOM 0 H LEU A 108 35.441 6.631 -4.800 1.00 0.00 H new ATOM 0 HA LEU A 108 37.089 4.346 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 108 37.323 6.970 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 108 38.195 7.001 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 108 39.335 4.780 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 108 39.655 5.062 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 108 37.936 4.826 -7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 108 38.546 6.454 -7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 108 41.159 6.241 -6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 108 40.050 7.634 -6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 108 40.512 6.845 -4.530 1.00 0.00 H new ATOM 1573 N SER A 109 36.833 5.635 -2.099 1.00 0.00 N ATOM 1574 CA SER A 109 37.154 5.407 -0.695 1.00 0.00 C ATOM 1575 C SER A 109 36.163 4.444 -0.053 1.00 0.00 C ATOM 1576 O SER A 109 36.448 3.835 0.977 1.00 0.00 O ATOM 1577 CB SER A 109 37.126 6.734 0.053 1.00 0.00 C ATOM 1578 OG SER A 109 38.445 7.077 0.456 1.00 0.00 O ATOM 0 H SER A 109 36.168 6.390 -2.267 1.00 0.00 H new ATOM 0 HA SER A 109 38.149 4.965 -0.638 1.00 0.00 H new ATOM 0 HB2 SER A 109 36.714 7.515 -0.586 1.00 0.00 H new ATOM 0 HB3 SER A 109 36.476 6.659 0.924 1.00 0.00 H new ATOM 0 HG SER A 109 38.429 7.931 0.936 1.00 0.00 H new ATOM 1584 N LEU A 110 35.001 4.318 -0.668 1.00 0.00 N ATOM 1585 CA LEU A 110 33.962 3.433 -0.155 1.00 0.00 C ATOM 1586 C LEU A 110 34.228 2.018 -0.641 1.00 0.00 C ATOM 1587 O LEU A 110 33.868 1.036 0.007 1.00 0.00 O ATOM 1588 CB LEU A 110 32.585 3.923 -0.637 1.00 0.00 C ATOM 1589 CG LEU A 110 31.492 2.922 -0.249 1.00 0.00 C ATOM 1590 CD1 LEU A 110 30.633 3.516 0.864 1.00 0.00 C ATOM 1591 CD2 LEU A 110 30.617 2.634 -1.473 1.00 0.00 C ATOM 0 H LEU A 110 34.750 4.815 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 110 33.970 3.439 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 110 32.366 4.897 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 110 32.598 4.055 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 110 31.948 1.996 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 110 29.855 2.805 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 110 31.257 3.728 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 110 30.173 4.440 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 110 29.837 1.922 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 110 30.159 3.561 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 110 31.232 2.214 -2.269 1.00 0.00 H new ATOM 1603 N LEU A 111 34.880 1.933 -1.787 1.00 0.00 N ATOM 1604 CA LEU A 111 35.214 0.640 -2.373 1.00 0.00 C ATOM 1605 C LEU A 111 36.027 -0.201 -1.400 1.00 0.00 C ATOM 1606 O LEU A 111 35.479 -1.016 -0.659 1.00 0.00 O ATOM 1607 CB LEU A 111 35.997 0.839 -3.670 1.00 0.00 C ATOM 1608 CG LEU A 111 35.186 0.266 -4.831 1.00 0.00 C ATOM 1609 CD1 LEU A 111 35.022 -1.243 -4.642 1.00 0.00 C ATOM 1610 CD2 LEU A 111 33.805 0.931 -4.865 1.00 0.00 C ATOM 0 H LEU A 111 35.189 2.738 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 111 34.285 0.113 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 111 36.192 1.899 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 111 36.965 0.343 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 111 35.706 0.460 -5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 111 34.443 -1.653 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 111 36.004 -1.715 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 111 34.502 -1.438 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 111 33.225 0.523 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 111 33.285 0.737 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 111 33.922 2.006 -4.999 1.00 0.00 H new ATOM 1622 N GLU A 112 37.334 0.006 -1.420 1.00 0.00 N ATOM 1623 CA GLU A 112 38.244 -0.730 -0.546 1.00 0.00 C ATOM 1624 C GLU A 112 37.501 -1.301 0.651 1.00 0.00 C ATOM 1625 O GLU A 112 37.469 -2.513 0.863 1.00 0.00 O ATOM 1626 CB GLU A 112 39.362 0.196 -0.062 1.00 0.00 C ATOM 1627 CG GLU A 112 39.000 1.645 -0.393 1.00 0.00 C ATOM 1628 CD GLU A 112 39.945 2.598 0.331 1.00 0.00 C ATOM 1629 OE1 GLU A 112 39.645 2.956 1.457 1.00 0.00 O ATOM 1630 OE2 GLU A 112 40.954 2.959 -0.253 1.00 0.00 O ATOM 0 H GLU A 112 37.793 0.679 -2.033 1.00 0.00 H new ATOM 0 HA GLU A 112 38.673 -1.555 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 112 39.505 0.081 1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 112 40.304 -0.073 -0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 112 39.061 1.807 -1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 112 37.970 1.847 -0.098 1.00 0.00 H new ATOM 1637 N SER A 113 36.904 -0.412 1.418 1.00 0.00 N ATOM 1638 CA SER A 113 36.148 -0.811 2.601 1.00 0.00 C ATOM 1639 C SER A 113 34.785 -1.376 2.192 1.00 0.00 C ATOM 1640 O SER A 113 33.940 -0.647 1.675 1.00 0.00 O ATOM 1641 CB SER A 113 35.948 0.397 3.518 1.00 0.00 C ATOM 1642 OG SER A 113 34.719 0.260 4.216 1.00 0.00 O ATOM 0 H SER A 113 36.924 0.594 1.248 1.00 0.00 H new ATOM 0 HA SER A 113 36.707 -1.582 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 113 36.774 0.472 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 113 35.946 1.316 2.932 1.00 0.00 H new ATOM 0 HG SER A 113 34.590 1.032 4.805 1.00 0.00 H new ATOM 1648 N PRO A 114 34.556 -2.649 2.405 1.00 0.00 N ATOM 1649 CA PRO A 114 33.266 -3.300 2.036 1.00 0.00 C ATOM 1650 C PRO A 114 32.157 -2.994 3.041 1.00 0.00 C ATOM 1651 O PRO A 114 31.676 -1.864 3.118 1.00 0.00 O ATOM 1652 CB PRO A 114 33.618 -4.787 2.020 1.00 0.00 C ATOM 1653 CG PRO A 114 34.715 -4.933 3.022 1.00 0.00 C ATOM 1654 CD PRO A 114 35.491 -3.613 3.017 1.00 0.00 C ATOM 0 HA PRO A 114 32.873 -2.942 1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 114 32.756 -5.400 2.285 1.00 0.00 H new ATOM 0 HB3 PRO A 114 33.943 -5.105 1.029 1.00 0.00 H new ATOM 0 HG2 PRO A 114 34.310 -5.140 4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 114 35.367 -5.767 2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 114 35.771 -3.311 4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 114 36.413 -3.695 2.441 1.00 0.00 H new ATOM 1662 N LYS A 115 31.754 -4.001 3.807 1.00 0.00 N ATOM 1663 CA LYS A 115 30.700 -3.820 4.797 1.00 0.00 C ATOM 1664 C LYS A 115 31.033 -4.578 6.077 1.00 0.00 C ATOM 1665 O LYS A 115 32.085 -5.210 6.179 1.00 0.00 O ATOM 1666 CB LYS A 115 29.366 -4.321 4.241 1.00 0.00 C ATOM 1667 CG LYS A 115 28.968 -3.488 3.020 1.00 0.00 C ATOM 1668 CD LYS A 115 28.428 -2.129 3.476 1.00 0.00 C ATOM 1669 CE LYS A 115 27.527 -1.548 2.384 1.00 0.00 C ATOM 1670 NZ LYS A 115 27.476 -0.063 2.518 1.00 0.00 N ATOM 0 H LYS A 115 32.138 -4.945 3.762 1.00 0.00 H new ATOM 0 HA LYS A 115 30.622 -2.757 5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 115 29.448 -5.372 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 115 28.594 -4.253 5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 115 29.829 -3.347 2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 115 28.211 -4.015 2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 115 27.867 -2.241 4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 115 29.254 -1.448 3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 115 27.907 -1.822 1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 115 26.524 -1.966 2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 26.864 0.332 1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 27.094 0.188 3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 28.435 0.328 2.420 1.00 0.00 H new ATOM 1684 N ILE A 116 30.133 -4.507 7.051 1.00 0.00 N ATOM 1685 CA ILE A 116 30.336 -5.184 8.320 1.00 0.00 C ATOM 1686 C ILE A 116 30.099 -6.687 8.178 1.00 0.00 C ATOM 1687 O ILE A 116 30.964 -7.413 7.688 1.00 0.00 O ATOM 1688 CB ILE A 116 29.393 -4.569 9.357 1.00 0.00 C ATOM 1689 CG1 ILE A 116 29.554 -5.269 10.706 1.00 0.00 C ATOM 1690 CG2 ILE A 116 27.944 -4.689 8.879 1.00 0.00 C ATOM 1691 CD1 ILE A 116 28.585 -4.641 11.701 1.00 0.00 C ATOM 0 H ILE A 116 29.258 -3.987 6.984 1.00 0.00 H new ATOM 0 HA ILE A 116 31.367 -5.053 8.647 1.00 0.00 H new ATOM 0 HB ILE A 116 29.646 -3.516 9.477 1.00 0.00 H new ATOM 0 HG12 ILE A 116 29.353 -6.336 10.605 1.00 0.00 H new ATOM 0 HG13 ILE A 116 30.579 -5.170 11.063 1.00 0.00 H new ATOM 0 HG21 ILE A 116 27.278 -4.249 9.622 1.00 0.00 H new ATOM 0 HG22 ILE A 116 27.829 -4.163 7.932 1.00 0.00 H new ATOM 0 HG23 ILE A 116 27.692 -5.741 8.743 1.00 0.00 H new ATOM 0 HD11 ILE A 116 28.689 -5.131 12.669 1.00 0.00 H new ATOM 0 HD12 ILE A 116 28.809 -3.579 11.806 1.00 0.00 H new ATOM 0 HD13 ILE A 116 27.564 -4.763 11.341 1.00 0.00 H new ATOM 1703 N GLN A 117 28.935 -7.146 8.609 1.00 0.00 N ATOM 1704 CA GLN A 117 28.601 -8.565 8.530 1.00 0.00 C ATOM 1705 C GLN A 117 28.424 -9.001 7.079 1.00 0.00 C ATOM 1706 O GLN A 117 27.343 -9.437 6.680 1.00 0.00 O ATOM 1707 CB GLN A 117 27.312 -8.841 9.302 1.00 0.00 C ATOM 1708 CG GLN A 117 26.185 -7.976 8.736 1.00 0.00 C ATOM 1709 CD GLN A 117 25.116 -7.755 9.800 1.00 0.00 C ATOM 1710 OE1 GLN A 117 24.013 -8.290 9.693 1.00 0.00 O ATOM 1711 NE2 GLN A 117 25.377 -6.991 10.825 1.00 0.00 N ATOM 0 H GLN A 117 28.205 -6.561 9.017 1.00 0.00 H new ATOM 0 HA GLN A 117 29.421 -9.132 8.970 1.00 0.00 H new ATOM 0 HB2 GLN A 117 27.049 -9.896 9.226 1.00 0.00 H new ATOM 0 HB3 GLN A 117 27.455 -8.624 10.360 1.00 0.00 H new ATOM 0 HG2 GLN A 117 26.583 -7.017 8.403 1.00 0.00 H new ATOM 0 HG3 GLN A 117 25.747 -8.460 7.863 1.00 0.00 H new ATOM 0 HE21 GLN A 117 26.292 -6.549 10.911 1.00 0.00 H new ATOM 0 HE22 GLN A 117 24.666 -6.836 11.540 1.00 0.00 H new ATOM 1720 N ALA A 118 29.489 -8.882 6.294 1.00 0.00 N ATOM 1721 CA ALA A 118 29.438 -9.269 4.888 1.00 0.00 C ATOM 1722 C ALA A 118 28.840 -10.664 4.734 1.00 0.00 C ATOM 1723 O ALA A 118 27.668 -10.884 5.035 1.00 0.00 O ATOM 1724 CB ALA A 118 30.846 -9.245 4.290 1.00 0.00 C ATOM 0 H ALA A 118 30.392 -8.523 6.604 1.00 0.00 H new ATOM 0 HA ALA A 118 28.805 -8.557 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 118 30.800 -9.535 3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 118 31.259 -8.239 4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 118 31.483 -9.944 4.832 1.00 0.00 H new ATOM 1730 N ASP A 119 29.655 -11.601 4.260 1.00 0.00 N ATOM 1731 CA ASP A 119 29.195 -12.972 4.069 1.00 0.00 C ATOM 1732 C ASP A 119 30.110 -13.953 4.795 1.00 0.00 C ATOM 1733 O ASP A 119 29.646 -14.937 5.371 1.00 0.00 O ATOM 1734 CB ASP A 119 29.166 -13.309 2.577 1.00 0.00 C ATOM 1735 CG ASP A 119 27.895 -12.754 1.942 1.00 0.00 C ATOM 1736 OD1 ASP A 119 27.155 -12.079 2.639 1.00 0.00 O ATOM 1737 OD2 ASP A 119 27.682 -13.010 0.769 1.00 0.00 O ATOM 0 H ASP A 119 30.629 -11.439 4.003 1.00 0.00 H new ATOM 0 HA ASP A 119 28.190 -13.058 4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 119 30.042 -12.889 2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 119 29.210 -14.389 2.439 1.00 0.00 H new ATOM 1742 N GLY A 120 31.411 -13.682 4.759 1.00 0.00 N ATOM 1743 CA GLY A 120 32.381 -14.552 5.415 1.00 0.00 C ATOM 1744 C GLY A 120 32.978 -13.878 6.647 1.00 0.00 C ATOM 1745 O GLY A 120 33.958 -14.392 7.161 1.00 0.00 O ATOM 0 H GLY A 120 31.816 -12.874 4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 120 31.899 -15.486 5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 120 33.177 -14.808 4.715 1.00 0.00 H new TER 1749 GLY A 120