USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=22 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -105:sc= -0.112 (180deg=-1.17!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.491 K(o=-0.49,f=0.014) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.0627 X(o=-0.063,f=-0.009) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0482 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.08! C(o=-1.1!,f=-0.95!) USER MOD Single : A 23 MET CE :methyl -132:sc=-0.00845 (180deg=-0.0546) USER MOD Single : A 26 ASN : amide:sc= -0.417 X(o=-0.42,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.255 K(o=-0.25,f=-2.3!) USER MOD Single : A 32 THR OG1 : rot -74:sc= -2.36! USER MOD Single : A 35 GLN : amide:sc= -1.1! C(o=-1.1!,f=-9.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -1.99 X(o=-2,f=-1.6) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 164:sc= 0.704 USER MOD Single : A 48 ASN : amide:sc= -6.8! C(o=-6.8!,f=-7.6!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.258 K(o=-0.26,f=-4.8!) USER MOD Single : A 56 SER OG : rot 3:sc= 1.21 USER MOD Single : A 59 THR OG1 : rot 2:sc= 0.383! USER MOD Single : A 64 LYS NZ :NH3+ 153:sc= -2.48! (180deg=-3.78!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.2 USER MOD Single : A 68 GLN : amide:sc= -0.265 K(o=-0.26,f=-1.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -9:sc= -0.499 USER MOD Single : A 76 SER OG : rot 180:sc= -0.106 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.565 K(o=-0.56,f=-4!) 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 USER MOD Single : A 96 HIS : no HE2:sc= -3.03! C(o=-3!,f=-6.2!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -2.11 K(o=-2.1,f=-0.13) 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= -0.88 K(o=-0.88,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.956 -23.303 -17.353 1.00 0.00 N ATOM 2 CA MET A 1 -16.199 -22.668 -17.875 1.00 0.00 C ATOM 3 C MET A 1 -17.064 -22.211 -16.705 1.00 0.00 C ATOM 4 O MET A 1 -16.840 -22.609 -15.561 1.00 0.00 O ATOM 5 CB MET A 1 -16.964 -23.681 -18.728 1.00 0.00 C ATOM 6 CG MET A 1 -17.364 -24.877 -17.863 1.00 0.00 C ATOM 7 SD MET A 1 -17.120 -26.409 -18.797 1.00 0.00 S ATOM 8 CE MET A 1 -18.696 -26.385 -19.687 1.00 0.00 C ATOM 0 H1 MET A 1 -14.155 -22.652 -17.477 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.074 -23.518 -16.342 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.770 -24.183 -17.875 1.00 0.00 H new ATOM 0 HA MET A 1 -15.943 -21.804 -18.488 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.852 -23.215 -19.156 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.344 -24.012 -19.561 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.767 -24.896 -16.951 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.407 -24.786 -17.559 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.760 -27.258 -20.336 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.518 -26.403 -18.972 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.760 -25.479 -20.290 1.00 0.00 H new ATOM 18 N THR A 2 -18.052 -21.371 -16.999 1.00 0.00 N ATOM 19 CA THR A 2 -18.945 -20.865 -15.961 1.00 0.00 C ATOM 20 C THR A 2 -19.808 -21.991 -15.399 1.00 0.00 C ATOM 21 O THR A 2 -20.194 -21.964 -14.231 1.00 0.00 O ATOM 22 CB THR A 2 -19.843 -19.766 -16.536 1.00 0.00 C ATOM 23 OG1 THR A 2 -19.119 -18.546 -16.593 1.00 0.00 O ATOM 24 CG2 THR A 2 -21.072 -19.589 -15.642 1.00 0.00 C ATOM 0 H THR A 2 -18.254 -21.029 -17.938 1.00 0.00 H new ATOM 0 HA THR A 2 -18.338 -20.453 -15.154 1.00 0.00 H new ATOM 0 HB THR A 2 -20.163 -20.047 -17.539 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.692 -17.842 -16.963 1.00 0.00 H new ATOM 0 HG21 THR A 2 -21.711 -18.807 -16.052 1.00 0.00 H new ATOM 0 HG22 THR A 2 -21.628 -20.525 -15.598 1.00 0.00 H new ATOM 0 HG23 THR A 2 -20.754 -19.309 -14.638 1.00 0.00 H new ATOM 32 N ALA A 3 -20.104 -22.979 -16.237 1.00 0.00 N ATOM 33 CA ALA A 3 -20.921 -24.111 -15.813 1.00 0.00 C ATOM 34 C ALA A 3 -22.060 -23.644 -14.912 1.00 0.00 C ATOM 35 O ALA A 3 -22.684 -22.613 -15.165 1.00 0.00 O ATOM 36 CB ALA A 3 -20.057 -25.125 -15.063 1.00 0.00 C ATOM 0 H ALA A 3 -19.793 -23.020 -17.208 1.00 0.00 H new ATOM 0 HA ALA A 3 -21.346 -24.581 -16.700 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -20.674 -25.967 -14.750 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -19.262 -25.481 -15.718 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -19.618 -24.650 -14.185 1.00 0.00 H new ATOM 42 N GLU A 4 -22.327 -24.410 -13.859 1.00 0.00 N ATOM 43 CA GLU A 4 -23.393 -24.065 -12.926 1.00 0.00 C ATOM 44 C GLU A 4 -23.057 -22.779 -12.181 1.00 0.00 C ATOM 45 O GLU A 4 -22.019 -22.163 -12.422 1.00 0.00 O ATOM 46 CB GLU A 4 -23.595 -25.200 -11.921 1.00 0.00 C ATOM 47 CG GLU A 4 -23.890 -26.500 -12.671 1.00 0.00 C ATOM 48 CD GLU A 4 -22.691 -27.437 -12.580 1.00 0.00 C ATOM 49 OE1 GLU A 4 -22.021 -27.412 -11.560 1.00 0.00 O ATOM 50 OE2 GLU A 4 -22.458 -28.165 -13.530 1.00 0.00 O ATOM 0 H GLU A 4 -21.824 -25.268 -13.632 1.00 0.00 H new ATOM 0 HA GLU A 4 -24.311 -23.914 -13.493 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -22.703 -25.317 -11.305 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -24.418 -24.961 -11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -24.772 -26.982 -12.248 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -24.115 -26.284 -13.715 1.00 0.00 H new ATOM 57 N LEU A 5 -23.942 -22.380 -11.277 1.00 0.00 N ATOM 58 CA LEU A 5 -23.732 -21.165 -10.500 1.00 0.00 C ATOM 59 C LEU A 5 -22.872 -21.455 -9.274 1.00 0.00 C ATOM 60 O LEU A 5 -22.781 -22.597 -8.824 1.00 0.00 O ATOM 61 CB LEU A 5 -25.079 -20.589 -10.056 1.00 0.00 C ATOM 62 CG LEU A 5 -26.029 -20.530 -11.255 1.00 0.00 C ATOM 63 CD1 LEU A 5 -25.304 -19.909 -12.450 1.00 0.00 C ATOM 64 CD2 LEU A 5 -26.488 -21.946 -11.618 1.00 0.00 C ATOM 0 H LEU A 5 -24.807 -22.876 -11.064 1.00 0.00 H new ATOM 0 HA LEU A 5 -23.216 -20.439 -11.129 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -25.509 -21.207 -9.268 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -24.940 -19.592 -9.639 1.00 0.00 H new ATOM 0 HG LEU A 5 -26.897 -19.922 -10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -25.980 -19.867 -13.304 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -24.979 -18.900 -12.194 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -24.436 -20.517 -12.705 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -27.164 -21.902 -12.472 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -25.621 -22.555 -11.873 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -27.006 -22.390 -10.768 1.00 0.00 H new ATOM 76 N GLN A 6 -22.242 -20.414 -8.739 1.00 0.00 N ATOM 77 CA GLN A 6 -21.392 -20.572 -7.563 1.00 0.00 C ATOM 78 C GLN A 6 -22.246 -20.673 -6.301 1.00 0.00 C ATOM 79 O GLN A 6 -22.160 -21.651 -5.559 1.00 0.00 O ATOM 80 CB GLN A 6 -20.434 -19.384 -7.445 1.00 0.00 C ATOM 81 CG GLN A 6 -18.991 -19.870 -7.605 1.00 0.00 C ATOM 82 CD GLN A 6 -18.529 -20.564 -6.329 1.00 0.00 C ATOM 83 OE1 GLN A 6 -17.932 -19.932 -5.458 1.00 0.00 O ATOM 84 NE2 GLN A 6 -18.771 -21.835 -6.165 1.00 0.00 N ATOM 0 H GLN A 6 -22.302 -19.461 -9.096 1.00 0.00 H new ATOM 0 HA GLN A 6 -20.814 -21.489 -7.673 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -20.665 -18.641 -8.208 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.559 -18.897 -6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -18.922 -20.558 -8.448 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -18.337 -19.027 -7.827 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -19.266 -22.357 -6.888 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.465 -22.307 -5.314 1.00 0.00 H new ATOM 93 N GLN A 7 -23.070 -19.656 -6.070 1.00 0.00 N ATOM 94 CA GLN A 7 -23.941 -19.638 -4.899 1.00 0.00 C ATOM 95 C GLN A 7 -23.138 -19.405 -3.625 1.00 0.00 C ATOM 96 O GLN A 7 -23.698 -19.085 -2.576 1.00 0.00 O ATOM 97 CB GLN A 7 -24.699 -20.961 -4.791 1.00 0.00 C ATOM 98 CG GLN A 7 -25.890 -20.792 -3.846 1.00 0.00 C ATOM 99 CD GLN A 7 -26.215 -22.123 -3.176 1.00 0.00 C ATOM 100 OE1 GLN A 7 -26.697 -23.047 -3.832 1.00 0.00 O ATOM 101 NE2 GLN A 7 -25.982 -22.276 -1.901 1.00 0.00 N ATOM 0 H GLN A 7 -23.153 -18.838 -6.674 1.00 0.00 H new ATOM 0 HA GLN A 7 -24.650 -18.819 -5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -25.045 -21.276 -5.776 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -24.036 -21.743 -4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -25.662 -20.041 -3.090 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -26.757 -20.433 -4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -25.583 -21.509 -1.360 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -26.199 -23.163 -1.446 1.00 0.00 H new ATOM 110 N ASP A 8 -21.827 -19.565 -3.727 1.00 0.00 N ATOM 111 CA ASP A 8 -20.952 -19.368 -2.576 1.00 0.00 C ATOM 112 C ASP A 8 -20.228 -18.035 -2.683 1.00 0.00 C ATOM 113 O ASP A 8 -19.732 -17.500 -1.692 1.00 0.00 O ATOM 114 CB ASP A 8 -19.929 -20.502 -2.495 1.00 0.00 C ATOM 115 CG ASP A 8 -20.328 -21.488 -1.402 1.00 0.00 C ATOM 116 OD1 ASP A 8 -20.708 -21.037 -0.334 1.00 0.00 O ATOM 117 OD2 ASP A 8 -20.246 -22.681 -1.648 1.00 0.00 O ATOM 0 H ASP A 8 -21.346 -19.829 -4.587 1.00 0.00 H new ATOM 0 HA ASP A 8 -21.563 -19.368 -1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.867 -21.016 -3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -18.939 -20.096 -2.286 1.00 0.00 H new ATOM 122 N ASP A 9 -20.177 -17.507 -3.895 1.00 0.00 N ATOM 123 CA ASP A 9 -19.516 -16.230 -4.138 1.00 0.00 C ATOM 124 C ASP A 9 -20.427 -15.077 -3.748 1.00 0.00 C ATOM 125 O ASP A 9 -19.984 -14.093 -3.157 1.00 0.00 O ATOM 126 CB ASP A 9 -19.133 -16.110 -5.615 1.00 0.00 C ATOM 127 CG ASP A 9 -17.637 -16.355 -5.787 1.00 0.00 C ATOM 128 OD1 ASP A 9 -17.048 -16.950 -4.900 1.00 0.00 O ATOM 129 OD2 ASP A 9 -17.103 -15.946 -6.805 1.00 0.00 O ATOM 0 H ASP A 9 -20.583 -17.939 -4.725 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.613 -16.186 -3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -19.698 -16.831 -6.206 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -19.393 -15.119 -5.987 1.00 0.00 H new ATOM 134 N ALA A 10 -21.699 -15.224 -4.085 1.00 0.00 N ATOM 135 CA ALA A 10 -22.708 -14.209 -3.779 1.00 0.00 C ATOM 136 C ALA A 10 -22.056 -12.895 -3.368 1.00 0.00 C ATOM 137 O ALA A 10 -21.383 -12.244 -4.168 1.00 0.00 O ATOM 138 CB ALA A 10 -23.616 -14.701 -2.653 1.00 0.00 C ATOM 0 H ALA A 10 -22.064 -16.041 -4.574 1.00 0.00 H new ATOM 0 HA ALA A 10 -23.298 -14.036 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -24.364 -13.940 -2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -24.113 -15.620 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -23.019 -14.894 -1.762 1.00 0.00 H new ATOM 144 N ALA A 11 -22.256 -12.514 -2.112 1.00 0.00 N ATOM 145 CA ALA A 11 -21.679 -11.279 -1.598 1.00 0.00 C ATOM 146 C ALA A 11 -20.214 -11.495 -1.233 1.00 0.00 C ATOM 147 O ALA A 11 -19.377 -11.735 -2.102 1.00 0.00 O ATOM 148 CB ALA A 11 -22.455 -10.811 -0.364 1.00 0.00 C ATOM 0 H ALA A 11 -22.810 -13.039 -1.435 1.00 0.00 H new ATOM 0 HA ALA A 11 -21.743 -10.515 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -22.016 -9.887 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -23.496 -10.634 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -22.406 -11.578 0.409 1.00 0.00 H new ATOM 154 N GLY A 12 -19.913 -11.413 0.058 1.00 0.00 N ATOM 155 CA GLY A 12 -18.547 -11.605 0.530 1.00 0.00 C ATOM 156 C GLY A 12 -17.534 -11.246 -0.552 1.00 0.00 C ATOM 157 O GLY A 12 -16.696 -12.066 -0.928 1.00 0.00 O ATOM 0 H GLY A 12 -20.592 -11.216 0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.374 -10.989 1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.407 -12.642 0.833 1.00 0.00 H new ATOM 161 N ALA A 13 -17.613 -10.016 -1.046 1.00 0.00 N ATOM 162 CA ALA A 13 -16.694 -9.563 -2.083 1.00 0.00 C ATOM 163 C ALA A 13 -16.338 -8.095 -1.873 1.00 0.00 C ATOM 164 O ALA A 13 -16.185 -7.639 -0.740 1.00 0.00 O ATOM 165 CB ALA A 13 -17.327 -9.745 -3.463 1.00 0.00 C ATOM 0 H ALA A 13 -18.297 -9.320 -0.749 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.784 -10.161 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.632 -9.403 -4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -17.554 -10.799 -3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -18.246 -9.162 -3.521 1.00 0.00 H new ATOM 171 N ALA A 14 -16.208 -7.361 -2.972 1.00 0.00 N ATOM 172 CA ALA A 14 -15.870 -5.945 -2.894 1.00 0.00 C ATOM 173 C ALA A 14 -16.547 -5.301 -1.686 1.00 0.00 C ATOM 174 O ALA A 14 -17.654 -5.683 -1.306 1.00 0.00 O ATOM 175 CB ALA A 14 -16.316 -5.230 -4.171 1.00 0.00 C ATOM 0 H ALA A 14 -16.330 -7.719 -3.919 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.789 -5.853 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -16.060 -4.173 -4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.812 -5.672 -5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -17.394 -5.335 -4.289 1.00 0.00 H new ATOM 181 N ASP A 15 -15.874 -4.324 -1.088 1.00 0.00 N ATOM 182 CA ASP A 15 -16.422 -3.635 0.077 1.00 0.00 C ATOM 183 C ASP A 15 -17.643 -2.808 -0.314 1.00 0.00 C ATOM 184 O ASP A 15 -18.486 -3.256 -1.093 1.00 0.00 O ATOM 185 CB ASP A 15 -15.360 -2.722 0.693 1.00 0.00 C ATOM 186 CG ASP A 15 -15.619 -2.556 2.186 1.00 0.00 C ATOM 187 OD1 ASP A 15 -15.883 -3.554 2.837 1.00 0.00 O ATOM 188 OD2 ASP A 15 -15.548 -1.432 2.659 1.00 0.00 O ATOM 0 H ASP A 15 -14.957 -3.993 -1.386 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.724 -4.384 0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.368 -3.144 0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.376 -1.749 0.202 1.00 0.00 H new ATOM 193 N GLY A 16 -17.731 -1.600 0.232 1.00 0.00 N ATOM 194 CA GLY A 16 -18.854 -0.717 -0.065 1.00 0.00 C ATOM 195 C GLY A 16 -18.403 0.738 -0.132 1.00 0.00 C ATOM 196 O GLY A 16 -17.229 1.045 0.069 1.00 0.00 O ATOM 0 H GLY A 16 -17.044 -1.211 0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -19.307 -1.005 -1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.621 -0.829 0.701 1.00 0.00 H new ATOM 200 N HIS A 17 -19.346 1.631 -0.415 1.00 0.00 N ATOM 201 CA HIS A 17 -19.036 3.052 -0.505 1.00 0.00 C ATOM 202 C HIS A 17 -19.595 3.795 0.705 1.00 0.00 C ATOM 203 O HIS A 17 -18.885 4.027 1.685 1.00 0.00 O ATOM 204 CB HIS A 17 -19.633 3.638 -1.785 1.00 0.00 C ATOM 205 CG HIS A 17 -18.848 3.160 -2.978 1.00 0.00 C ATOM 206 ND1 HIS A 17 -19.321 3.299 -4.274 1.00 0.00 N ATOM 207 CD2 HIS A 17 -17.624 2.546 -3.091 1.00 0.00 C ATOM 208 CE1 HIS A 17 -18.396 2.782 -5.102 1.00 0.00 C ATOM 209 NE2 HIS A 17 -17.341 2.309 -4.433 1.00 0.00 N ATOM 0 H HIS A 17 -20.324 1.398 -0.585 1.00 0.00 H new ATOM 0 HA HIS A 17 -17.953 3.169 -0.525 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -20.677 3.339 -1.881 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -19.617 4.727 -1.740 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -16.979 2.287 -2.264 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -18.494 2.753 -6.177 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.507 1.869 -4.822 1.00 0.00 H new ATOM 217 N GLY A 18 -20.870 4.161 0.633 1.00 0.00 N ATOM 218 CA GLY A 18 -21.515 4.874 1.729 1.00 0.00 C ATOM 219 C GLY A 18 -20.972 6.294 1.862 1.00 0.00 C ATOM 220 O GLY A 18 -20.544 6.897 0.879 1.00 0.00 O ATOM 0 H GLY A 18 -21.474 3.977 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -22.591 4.908 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -21.356 4.333 2.662 1.00 0.00 H new ATOM 224 N SER A 19 -21.003 6.814 3.089 1.00 0.00 N ATOM 225 CA SER A 19 -20.521 8.166 3.371 1.00 0.00 C ATOM 226 C SER A 19 -19.676 8.707 2.221 1.00 0.00 C ATOM 227 O SER A 19 -18.606 8.177 1.921 1.00 0.00 O ATOM 228 CB SER A 19 -19.692 8.161 4.655 1.00 0.00 C ATOM 229 OG SER A 19 -19.973 6.975 5.387 1.00 0.00 O ATOM 0 H SER A 19 -21.358 6.317 3.906 1.00 0.00 H new ATOM 0 HA SER A 19 -21.389 8.815 3.491 1.00 0.00 H new ATOM 0 HB2 SER A 19 -18.630 8.213 4.417 1.00 0.00 H new ATOM 0 HB3 SER A 19 -19.927 9.039 5.257 1.00 0.00 H new ATOM 0 HG SER A 19 -19.443 6.966 6.211 1.00 0.00 H new ATOM 235 N SER A 20 -20.164 9.767 1.583 1.00 0.00 N ATOM 236 CA SER A 20 -19.449 10.376 0.467 1.00 0.00 C ATOM 237 C SER A 20 -19.513 11.899 0.556 1.00 0.00 C ATOM 238 O SER A 20 -20.463 12.517 0.075 1.00 0.00 O ATOM 239 CB SER A 20 -20.062 9.916 -0.856 1.00 0.00 C ATOM 240 OG SER A 20 -21.426 9.574 -0.646 1.00 0.00 O ATOM 0 H SER A 20 -21.047 10.220 1.818 1.00 0.00 H new ATOM 0 HA SER A 20 -18.406 10.064 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 20 -19.984 10.708 -1.601 1.00 0.00 H new ATOM 0 HB3 SER A 20 -19.515 9.057 -1.245 1.00 0.00 H new ATOM 0 HG SER A 20 -21.824 9.280 -1.492 1.00 0.00 H new ATOM 246 N CYS A 21 -18.499 12.499 1.174 1.00 0.00 N ATOM 247 CA CYS A 21 -18.454 13.951 1.320 1.00 0.00 C ATOM 248 C CYS A 21 -17.259 14.529 0.565 1.00 0.00 C ATOM 249 O CYS A 21 -16.391 13.792 0.103 1.00 0.00 O ATOM 250 CB CYS A 21 -18.354 14.322 2.801 1.00 0.00 C ATOM 251 SG CYS A 21 -19.512 15.663 3.169 1.00 0.00 S ATOM 0 H CYS A 21 -17.703 12.007 1.579 1.00 0.00 H new ATOM 0 HA CYS A 21 -19.369 14.369 0.902 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -18.579 13.453 3.420 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.336 14.630 3.041 1.00 0.00 H new ATOM 0 HG CYS A 21 -19.428 15.976 4.428 1.00 0.00 H new ATOM 257 N GLN A 22 -17.224 15.851 0.439 1.00 0.00 N ATOM 258 CA GLN A 22 -16.129 16.516 -0.261 1.00 0.00 C ATOM 259 C GLN A 22 -14.929 16.719 0.664 1.00 0.00 C ATOM 260 O GLN A 22 -13.812 16.954 0.202 1.00 0.00 O ATOM 261 CB GLN A 22 -16.598 17.870 -0.795 1.00 0.00 C ATOM 262 CG GLN A 22 -18.123 17.873 -0.910 1.00 0.00 C ATOM 263 CD GLN A 22 -18.579 16.706 -1.781 1.00 0.00 C ATOM 264 OE1 GLN A 22 -19.498 15.975 -1.411 1.00 0.00 O ATOM 265 NE2 GLN A 22 -17.986 16.488 -2.923 1.00 0.00 N ATOM 0 H GLN A 22 -17.936 16.481 0.809 1.00 0.00 H new ATOM 0 HA GLN A 22 -15.822 15.880 -1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.271 18.668 -0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.149 18.064 -1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -18.571 17.796 0.080 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -18.462 18.815 -1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -17.225 17.095 -3.227 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -18.284 15.710 -3.512 1.00 0.00 H new ATOM 274 N MET A 23 -15.171 16.651 1.971 1.00 0.00 N ATOM 275 CA MET A 23 -14.107 16.855 2.953 1.00 0.00 C ATOM 276 C MET A 23 -12.991 15.833 2.798 1.00 0.00 C ATOM 277 O MET A 23 -11.811 16.168 2.887 1.00 0.00 O ATOM 278 CB MET A 23 -14.675 16.766 4.373 1.00 0.00 C ATOM 279 CG MET A 23 -13.715 17.436 5.364 1.00 0.00 C ATOM 280 SD MET A 23 -14.623 18.644 6.362 1.00 0.00 S ATOM 281 CE MET A 23 -14.805 19.911 5.082 1.00 0.00 C ATOM 0 H MET A 23 -16.088 16.458 2.374 1.00 0.00 H new ATOM 0 HA MET A 23 -13.691 17.847 2.778 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.650 17.251 4.415 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.826 15.722 4.649 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.259 16.685 6.009 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.905 17.928 4.826 1.00 0.00 H new ATOM 0 HE1 MET A 23 -14.520 20.882 5.488 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.162 19.668 4.236 1.00 0.00 H new ATOM 0 HE3 MET A 23 -15.843 19.947 4.750 1.00 0.00 H new ATOM 291 N LEU A 24 -13.371 14.588 2.592 1.00 0.00 N ATOM 292 CA LEU A 24 -12.390 13.515 2.452 1.00 0.00 C ATOM 293 C LEU A 24 -11.374 13.837 1.368 1.00 0.00 C ATOM 294 O LEU A 24 -10.185 13.991 1.638 1.00 0.00 O ATOM 295 CB LEU A 24 -13.080 12.183 2.128 1.00 0.00 C ATOM 296 CG LEU A 24 -14.589 12.391 1.993 1.00 0.00 C ATOM 297 CD1 LEU A 24 -15.204 11.195 1.263 1.00 0.00 C ATOM 298 CD2 LEU A 24 -15.215 12.511 3.385 1.00 0.00 C ATOM 0 H LEU A 24 -14.343 14.289 2.517 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.869 13.425 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.678 11.772 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.874 11.457 2.915 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.780 13.303 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.280 11.342 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.759 11.106 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.012 10.284 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -16.291 12.659 3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -15.024 11.599 3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.777 13.361 3.909 1.00 0.00 H new ATOM 310 N LEU A 25 -11.853 13.935 0.146 1.00 0.00 N ATOM 311 CA LEU A 25 -10.982 14.233 -0.985 1.00 0.00 C ATOM 312 C LEU A 25 -10.313 15.593 -0.811 1.00 0.00 C ATOM 313 O LEU A 25 -9.178 15.793 -1.244 1.00 0.00 O ATOM 314 CB LEU A 25 -11.784 14.221 -2.288 1.00 0.00 C ATOM 315 CG LEU A 25 -13.208 14.711 -2.020 1.00 0.00 C ATOM 316 CD1 LEU A 25 -13.638 15.656 -3.143 1.00 0.00 C ATOM 317 CD2 LEU A 25 -14.158 13.512 -1.972 1.00 0.00 C ATOM 0 H LEU A 25 -12.837 13.814 -0.095 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.210 13.465 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.303 14.859 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.808 13.213 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.240 15.238 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.653 16.007 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.960 16.509 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.608 15.127 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.173 13.860 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.128 12.986 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.850 12.836 -1.175 1.00 0.00 H new ATOM 329 N ASN A 26 -11.019 16.525 -0.179 1.00 0.00 N ATOM 330 CA ASN A 26 -10.473 17.860 0.037 1.00 0.00 C ATOM 331 C ASN A 26 -9.241 17.798 0.925 1.00 0.00 C ATOM 332 O ASN A 26 -8.152 18.213 0.532 1.00 0.00 O ATOM 333 CB ASN A 26 -11.528 18.760 0.683 1.00 0.00 C ATOM 334 CG ASN A 26 -10.870 20.020 1.233 1.00 0.00 C ATOM 335 OD1 ASN A 26 -10.557 20.938 0.475 1.00 0.00 O ATOM 336 ND2 ASN A 26 -10.642 20.121 2.513 1.00 0.00 N ATOM 0 H ASN A 26 -11.960 16.383 0.189 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.188 18.274 -0.930 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.289 19.027 -0.050 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -12.034 18.224 1.486 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -10.203 20.962 2.888 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -10.902 19.359 3.139 1.00 0.00 H new ATOM 343 N GLN A 27 -9.428 17.276 2.119 1.00 0.00 N ATOM 344 CA GLN A 27 -8.335 17.149 3.077 1.00 0.00 C ATOM 345 C GLN A 27 -7.211 16.297 2.495 1.00 0.00 C ATOM 346 O GLN A 27 -6.084 16.766 2.328 1.00 0.00 O ATOM 347 CB GLN A 27 -8.847 16.511 4.369 1.00 0.00 C ATOM 348 CG GLN A 27 -9.603 17.557 5.189 1.00 0.00 C ATOM 349 CD GLN A 27 -8.638 18.312 6.094 1.00 0.00 C ATOM 350 OE1 GLN A 27 -7.589 17.784 6.463 1.00 0.00 O ATOM 351 NE2 GLN A 27 -8.934 19.524 6.480 1.00 0.00 N ATOM 0 H GLN A 27 -10.327 16.930 2.456 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.946 18.144 3.293 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.502 15.671 4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.012 16.114 4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.110 18.255 4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.373 17.072 5.789 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.804 19.959 6.173 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.295 20.036 7.089 1.00 0.00 H new ATOM 360 N LEU A 28 -7.530 15.045 2.185 1.00 0.00 N ATOM 361 CA LEU A 28 -6.547 14.132 1.618 1.00 0.00 C ATOM 362 C LEU A 28 -5.751 14.814 0.505 1.00 0.00 C ATOM 363 O LEU A 28 -4.524 14.855 0.540 1.00 0.00 O ATOM 364 CB LEU A 28 -7.276 12.915 1.048 1.00 0.00 C ATOM 365 CG LEU A 28 -6.612 11.619 1.515 1.00 0.00 C ATOM 366 CD1 LEU A 28 -7.624 10.481 1.401 1.00 0.00 C ATOM 367 CD2 LEU A 28 -5.402 11.316 0.629 1.00 0.00 C ATOM 0 H LEU A 28 -8.458 14.641 2.316 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.853 13.827 2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.319 12.929 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.272 12.960 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.282 11.722 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.163 9.550 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.489 10.700 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.943 10.380 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.929 10.392 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.727 11.204 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.686 12.135 0.698 1.00 0.00 H new ATOM 379 N ARG A 29 -6.464 15.335 -0.491 1.00 0.00 N ATOM 380 CA ARG A 29 -5.819 16.000 -1.622 1.00 0.00 C ATOM 381 C ARG A 29 -5.138 17.298 -1.197 1.00 0.00 C ATOM 382 O ARG A 29 -4.253 17.795 -1.889 1.00 0.00 O ATOM 383 CB ARG A 29 -6.853 16.306 -2.707 1.00 0.00 C ATOM 384 CG ARG A 29 -6.163 16.994 -3.889 1.00 0.00 C ATOM 385 CD ARG A 29 -7.051 16.886 -5.130 1.00 0.00 C ATOM 386 NE ARG A 29 -6.426 17.567 -6.261 1.00 0.00 N ATOM 387 CZ ARG A 29 -6.288 18.888 -6.278 1.00 0.00 C ATOM 388 NH1 ARG A 29 -6.703 19.601 -5.267 1.00 0.00 N ATOM 389 NH2 ARG A 29 -5.737 19.473 -7.306 1.00 0.00 N ATOM 0 H ARG A 29 -7.483 15.310 -0.539 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.058 15.324 -2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.333 15.385 -3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.638 16.948 -2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.974 18.041 -3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.195 16.530 -4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.219 15.837 -5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.027 17.326 -4.926 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.089 17.018 -7.052 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.134 19.144 -4.463 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.597 20.615 -5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.412 18.916 -8.096 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.631 20.487 -7.319 1.00 0.00 H new ATOM 403 N GLU A 30 -5.556 17.852 -0.068 1.00 0.00 N ATOM 404 CA GLU A 30 -4.966 19.099 0.410 1.00 0.00 C ATOM 405 C GLU A 30 -3.647 18.826 1.118 1.00 0.00 C ATOM 406 O GLU A 30 -2.786 19.701 1.213 1.00 0.00 O ATOM 407 CB GLU A 30 -5.924 19.809 1.367 1.00 0.00 C ATOM 408 CG GLU A 30 -5.327 21.156 1.780 1.00 0.00 C ATOM 409 CD GLU A 30 -6.217 22.293 1.290 1.00 0.00 C ATOM 410 OE1 GLU A 30 -7.335 22.392 1.770 1.00 0.00 O ATOM 411 OE2 GLU A 30 -5.770 23.047 0.443 1.00 0.00 O ATOM 0 H GLU A 30 -6.289 17.467 0.528 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.781 19.741 -0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.890 19.960 0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.099 19.191 2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.228 21.202 2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.325 21.262 1.364 1.00 0.00 H new ATOM 418 N ILE A 31 -3.503 17.607 1.618 1.00 0.00 N ATOM 419 CA ILE A 31 -2.291 17.220 2.323 1.00 0.00 C ATOM 420 C ILE A 31 -1.323 16.514 1.395 1.00 0.00 C ATOM 421 O ILE A 31 -0.156 16.888 1.275 1.00 0.00 O ATOM 422 CB ILE A 31 -2.647 16.278 3.466 1.00 0.00 C ATOM 423 CG1 ILE A 31 -3.682 16.950 4.367 1.00 0.00 C ATOM 424 CG2 ILE A 31 -1.385 15.956 4.266 1.00 0.00 C ATOM 425 CD1 ILE A 31 -4.365 15.898 5.245 1.00 0.00 C ATOM 0 H ILE A 31 -4.207 16.872 1.549 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.818 18.124 2.706 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.064 15.352 3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.200 17.702 4.992 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.424 17.468 3.760 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.636 15.282 5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.653 15.479 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.965 16.877 4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.102 16.382 5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.861 15.162 4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.618 15.400 5.863 1.00 0.00 H new ATOM 437 N THR A 32 -1.829 15.475 0.771 1.00 0.00 N ATOM 438 CA THR A 32 -1.038 14.659 -0.135 1.00 0.00 C ATOM 439 C THR A 32 -0.884 15.318 -1.502 1.00 0.00 C ATOM 440 O THR A 32 0.173 15.229 -2.126 1.00 0.00 O ATOM 441 CB THR A 32 -1.733 13.317 -0.309 1.00 0.00 C ATOM 442 OG1 THR A 32 -2.790 13.464 -1.245 1.00 0.00 O ATOM 443 CG2 THR A 32 -2.306 12.862 1.031 1.00 0.00 C ATOM 0 H THR A 32 -2.796 15.169 0.873 1.00 0.00 H new ATOM 0 HA THR A 32 -0.043 14.536 0.293 1.00 0.00 H new ATOM 0 HB THR A 32 -1.019 12.576 -0.667 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.536 13.940 -0.824 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.804 11.900 0.906 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.499 12.761 1.756 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.025 13.599 1.388 1.00 0.00 H new ATOM 451 N GLY A 33 -1.942 15.969 -1.971 1.00 0.00 N ATOM 452 CA GLY A 33 -1.894 16.623 -3.276 1.00 0.00 C ATOM 453 C GLY A 33 -2.069 15.605 -4.396 1.00 0.00 C ATOM 454 O GLY A 33 -1.445 15.715 -5.452 1.00 0.00 O ATOM 0 H GLY A 33 -2.830 16.059 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.677 17.378 -3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.942 17.141 -3.394 1.00 0.00 H new ATOM 458 N ILE A 34 -2.906 14.606 -4.149 1.00 0.00 N ATOM 459 CA ILE A 34 -3.146 13.557 -5.133 1.00 0.00 C ATOM 460 C ILE A 34 -4.434 13.821 -5.910 1.00 0.00 C ATOM 461 O ILE A 34 -5.406 14.340 -5.361 1.00 0.00 O ATOM 462 CB ILE A 34 -3.235 12.205 -4.423 1.00 0.00 C ATOM 463 CG1 ILE A 34 -2.069 12.084 -3.419 1.00 0.00 C ATOM 464 CG2 ILE A 34 -3.199 11.082 -5.462 1.00 0.00 C ATOM 465 CD1 ILE A 34 -0.995 11.101 -3.890 1.00 0.00 C ATOM 0 H ILE A 34 -3.429 14.499 -3.280 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.318 13.548 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.172 12.125 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.619 13.065 -3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.457 11.760 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.262 10.118 -4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.042 11.191 -6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.267 11.137 -6.025 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.197 11.052 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.436 10.112 -4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.586 11.438 -4.842 1.00 0.00 H new ATOM 477 N GLN A 35 -4.429 13.464 -7.192 1.00 0.00 N ATOM 478 CA GLN A 35 -5.599 13.671 -8.041 1.00 0.00 C ATOM 479 C GLN A 35 -6.205 12.338 -8.466 1.00 0.00 C ATOM 480 O GLN A 35 -6.906 12.257 -9.476 1.00 0.00 O ATOM 481 CB GLN A 35 -5.201 14.467 -9.285 1.00 0.00 C ATOM 482 CG GLN A 35 -4.081 15.444 -8.926 1.00 0.00 C ATOM 483 CD GLN A 35 -2.726 14.764 -9.091 1.00 0.00 C ATOM 484 OE1 GLN A 35 -2.549 13.619 -8.675 1.00 0.00 O ATOM 485 NE2 GLN A 35 -1.753 15.405 -9.678 1.00 0.00 N ATOM 0 H GLN A 35 -3.634 13.033 -7.663 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.343 14.226 -7.469 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.870 13.790 -10.073 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.062 15.011 -9.673 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.136 16.325 -9.566 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.202 15.788 -7.899 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.902 16.354 -10.022 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.844 14.957 -9.793 1.00 0.00 H new ATOM 494 N ASP A 36 -5.933 11.296 -7.692 1.00 0.00 N ATOM 495 CA ASP A 36 -6.456 9.971 -7.995 1.00 0.00 C ATOM 496 C ASP A 36 -7.488 9.557 -6.952 1.00 0.00 C ATOM 497 O ASP A 36 -7.229 8.683 -6.123 1.00 0.00 O ATOM 498 CB ASP A 36 -5.311 8.956 -8.015 1.00 0.00 C ATOM 499 CG ASP A 36 -4.705 8.878 -9.413 1.00 0.00 C ATOM 500 OD1 ASP A 36 -5.237 8.144 -10.229 1.00 0.00 O ATOM 501 OD2 ASP A 36 -3.718 9.557 -9.647 1.00 0.00 O ATOM 0 H ASP A 36 -5.355 11.342 -6.853 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.935 9.999 -8.974 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.546 9.245 -7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.679 7.975 -7.714 1.00 0.00 H new ATOM 506 N PRO A 37 -8.644 10.165 -6.974 1.00 0.00 N ATOM 507 CA PRO A 37 -9.731 9.859 -6.010 1.00 0.00 C ATOM 508 C PRO A 37 -9.767 8.388 -5.646 1.00 0.00 C ATOM 509 O PRO A 37 -10.285 8.000 -4.601 1.00 0.00 O ATOM 510 CB PRO A 37 -10.977 10.258 -6.779 1.00 0.00 C ATOM 511 CG PRO A 37 -10.552 11.393 -7.655 1.00 0.00 C ATOM 512 CD PRO A 37 -9.052 11.214 -7.923 1.00 0.00 C ATOM 0 HA PRO A 37 -9.614 10.379 -5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.358 9.425 -7.371 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.777 10.561 -6.103 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.114 11.391 -8.589 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.746 12.349 -7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.864 10.915 -8.954 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.503 12.140 -7.754 1.00 0.00 H new ATOM 520 N SER A 38 -9.211 7.584 -6.526 1.00 0.00 N ATOM 521 CA SER A 38 -9.163 6.143 -6.320 1.00 0.00 C ATOM 522 C SER A 38 -8.125 5.779 -5.259 1.00 0.00 C ATOM 523 O SER A 38 -8.418 5.030 -4.323 1.00 0.00 O ATOM 524 CB SER A 38 -8.819 5.442 -7.634 1.00 0.00 C ATOM 525 OG SER A 38 -9.577 4.244 -7.741 1.00 0.00 O ATOM 0 H SER A 38 -8.783 7.900 -7.396 1.00 0.00 H new ATOM 0 HA SER A 38 -10.143 5.814 -5.975 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.035 6.099 -8.477 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.753 5.216 -7.671 1.00 0.00 H new ATOM 0 HG SER A 38 -9.359 3.793 -8.584 1.00 0.00 H new ATOM 531 N PHE A 39 -6.912 6.311 -5.398 1.00 0.00 N ATOM 532 CA PHE A 39 -5.862 6.021 -4.439 1.00 0.00 C ATOM 533 C PHE A 39 -6.145 6.783 -3.139 1.00 0.00 C ATOM 534 O PHE A 39 -5.825 6.319 -2.038 1.00 0.00 O ATOM 535 CB PHE A 39 -4.505 6.375 -5.084 1.00 0.00 C ATOM 536 CG PHE A 39 -3.623 7.166 -4.164 1.00 0.00 C ATOM 537 CD1 PHE A 39 -4.056 8.392 -3.677 1.00 0.00 C ATOM 538 CD2 PHE A 39 -2.352 6.687 -3.828 1.00 0.00 C ATOM 539 CE1 PHE A 39 -3.239 9.139 -2.848 1.00 0.00 C ATOM 540 CE2 PHE A 39 -1.523 7.447 -3.002 1.00 0.00 C ATOM 541 CZ PHE A 39 -1.977 8.673 -2.506 1.00 0.00 C ATOM 0 H PHE A 39 -6.640 6.936 -6.156 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.829 4.964 -4.176 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.993 5.457 -5.373 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.678 6.945 -5.997 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.034 8.763 -3.946 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.014 5.733 -4.206 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.584 10.088 -2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.536 7.090 -2.747 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.344 9.259 -1.855 1.00 0.00 H new ATOM 551 N LEU A 40 -6.802 7.935 -3.281 1.00 0.00 N ATOM 552 CA LEU A 40 -7.183 8.748 -2.135 1.00 0.00 C ATOM 553 C LEU A 40 -8.284 8.030 -1.366 1.00 0.00 C ATOM 554 O LEU A 40 -8.203 7.852 -0.148 1.00 0.00 O ATOM 555 CB LEU A 40 -7.700 10.119 -2.598 1.00 0.00 C ATOM 556 CG LEU A 40 -6.529 10.975 -3.115 1.00 0.00 C ATOM 557 CD1 LEU A 40 -6.569 11.086 -4.645 1.00 0.00 C ATOM 558 CD2 LEU A 40 -6.590 12.385 -2.516 1.00 0.00 C ATOM 0 H LEU A 40 -7.080 8.323 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.312 8.898 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.443 9.990 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.196 10.628 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.603 10.486 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.733 11.695 -4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.497 10.091 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.506 11.551 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.755 12.976 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.529 12.861 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.530 12.322 -1.430 1.00 0.00 H new ATOM 570 N HIS A 41 -9.308 7.602 -2.101 1.00 0.00 N ATOM 571 CA HIS A 41 -10.419 6.883 -1.501 1.00 0.00 C ATOM 572 C HIS A 41 -9.936 5.532 -0.999 1.00 0.00 C ATOM 573 O HIS A 41 -10.515 4.956 -0.078 1.00 0.00 O ATOM 574 CB HIS A 41 -11.543 6.689 -2.520 1.00 0.00 C ATOM 575 CG HIS A 41 -12.242 8.002 -2.748 1.00 0.00 C ATOM 576 ND1 HIS A 41 -13.543 8.075 -3.221 1.00 0.00 N ATOM 577 CD2 HIS A 41 -11.836 9.301 -2.567 1.00 0.00 C ATOM 578 CE1 HIS A 41 -13.871 9.377 -3.306 1.00 0.00 C ATOM 579 NE2 HIS A 41 -12.867 10.168 -2.918 1.00 0.00 N ATOM 0 H HIS A 41 -9.388 7.742 -3.108 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.807 7.465 -0.665 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.137 6.313 -3.459 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -12.252 5.945 -2.158 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -10.864 9.604 -2.207 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.830 9.739 -3.647 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -12.858 11.187 -2.886 1.00 0.00 H new ATOM 587 N GLU A 42 -8.847 5.045 -1.589 1.00 0.00 N ATOM 588 CA GLU A 42 -8.278 3.782 -1.159 1.00 0.00 C ATOM 589 C GLU A 42 -7.713 3.982 0.235 1.00 0.00 C ATOM 590 O GLU A 42 -7.840 3.128 1.115 1.00 0.00 O ATOM 591 CB GLU A 42 -7.170 3.342 -2.116 1.00 0.00 C ATOM 592 CG GLU A 42 -6.496 2.084 -1.567 1.00 0.00 C ATOM 593 CD GLU A 42 -5.482 1.553 -2.574 1.00 0.00 C ATOM 594 OE1 GLU A 42 -5.896 0.875 -3.500 1.00 0.00 O ATOM 595 OE2 GLU A 42 -4.307 1.832 -2.405 1.00 0.00 O ATOM 0 H GLU A 42 -8.351 5.502 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.043 3.006 -1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.585 3.144 -3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.436 4.140 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.999 2.310 -0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.246 1.322 -1.358 1.00 0.00 H new ATOM 602 N ALA A 43 -7.114 5.151 0.422 1.00 0.00 N ATOM 603 CA ALA A 43 -6.547 5.518 1.705 1.00 0.00 C ATOM 604 C ALA A 43 -7.646 5.615 2.749 1.00 0.00 C ATOM 605 O ALA A 43 -7.547 5.040 3.834 1.00 0.00 O ATOM 606 CB ALA A 43 -5.871 6.873 1.570 1.00 0.00 C ATOM 0 H ALA A 43 -7.010 5.860 -0.303 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.825 4.762 2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.440 7.162 2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.082 6.813 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.606 7.617 1.264 1.00 0.00 H new ATOM 612 N LEU A 44 -8.695 6.352 2.405 1.00 0.00 N ATOM 613 CA LEU A 44 -9.822 6.532 3.306 1.00 0.00 C ATOM 614 C LEU A 44 -10.528 5.201 3.527 1.00 0.00 C ATOM 615 O LEU A 44 -11.191 4.995 4.544 1.00 0.00 O ATOM 616 CB LEU A 44 -10.797 7.545 2.710 1.00 0.00 C ATOM 617 CG LEU A 44 -10.069 8.869 2.472 1.00 0.00 C ATOM 618 CD1 LEU A 44 -11.037 9.892 1.886 1.00 0.00 C ATOM 619 CD2 LEU A 44 -9.517 9.389 3.800 1.00 0.00 C ATOM 0 H LEU A 44 -8.787 6.833 1.510 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.459 6.903 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.204 7.167 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.640 7.696 3.385 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.249 8.710 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.514 10.833 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.429 9.521 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.861 10.054 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.997 10.333 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.338 9.545 4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.821 8.660 4.215 1.00 0.00 H new ATOM 631 N LYS A 45 -10.373 4.303 2.564 1.00 0.00 N ATOM 632 CA LYS A 45 -10.988 2.988 2.646 1.00 0.00 C ATOM 633 C LYS A 45 -10.175 2.083 3.569 1.00 0.00 C ATOM 634 O LYS A 45 -10.728 1.210 4.237 1.00 0.00 O ATOM 635 CB LYS A 45 -11.082 2.384 1.239 1.00 0.00 C ATOM 636 CG LYS A 45 -10.983 0.853 1.295 1.00 0.00 C ATOM 637 CD LYS A 45 -9.518 0.416 1.169 1.00 0.00 C ATOM 638 CE LYS A 45 -9.464 -1.035 0.687 1.00 0.00 C ATOM 639 NZ LYS A 45 -9.494 -1.064 -0.803 1.00 0.00 N ATOM 0 H LYS A 45 -9.827 4.462 1.718 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.992 3.080 3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.025 2.675 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.283 2.782 0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.400 0.488 2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.573 0.413 0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.992 1.064 0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.014 0.511 2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.558 -1.518 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.308 -1.595 1.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.457 -2.050 -1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.371 -0.619 -1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.675 -0.544 -1.177 1.00 0.00 H new ATOM 653 N ALA A 46 -8.862 2.303 3.612 1.00 0.00 N ATOM 654 CA ALA A 46 -7.999 1.503 4.471 1.00 0.00 C ATOM 655 C ALA A 46 -8.020 2.053 5.891 1.00 0.00 C ATOM 656 O ALA A 46 -7.956 1.299 6.863 1.00 0.00 O ATOM 657 CB ALA A 46 -6.568 1.515 3.932 1.00 0.00 C ATOM 0 H ALA A 46 -8.380 3.019 3.069 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.367 0.477 4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.930 0.915 4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.555 1.099 2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.197 2.540 3.906 1.00 0.00 H new ATOM 663 N SER A 47 -8.109 3.376 6.001 1.00 0.00 N ATOM 664 CA SER A 47 -8.140 4.028 7.304 1.00 0.00 C ATOM 665 C SER A 47 -9.560 4.046 7.865 1.00 0.00 C ATOM 666 O SER A 47 -9.846 4.741 8.839 1.00 0.00 O ATOM 667 CB SER A 47 -7.622 5.458 7.179 1.00 0.00 C ATOM 668 OG SER A 47 -8.415 6.163 6.235 1.00 0.00 O ATOM 0 H SER A 47 -8.161 4.014 5.207 1.00 0.00 H new ATOM 0 HA SER A 47 -7.502 3.466 7.986 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.660 5.957 8.148 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.579 5.453 6.863 1.00 0.00 H new ATOM 0 HG SER A 47 -8.264 7.126 6.335 1.00 0.00 H new ATOM 674 N ASN A 48 -10.442 3.273 7.243 1.00 0.00 N ATOM 675 CA ASN A 48 -11.832 3.195 7.684 1.00 0.00 C ATOM 676 C ASN A 48 -12.429 4.581 7.925 1.00 0.00 C ATOM 677 O ASN A 48 -13.215 4.769 8.853 1.00 0.00 O ATOM 678 CB ASN A 48 -11.929 2.369 8.967 1.00 0.00 C ATOM 679 CG ASN A 48 -11.068 2.992 10.060 1.00 0.00 C ATOM 680 OD1 ASN A 48 -11.277 4.146 10.436 1.00 0.00 O ATOM 681 ND2 ASN A 48 -10.106 2.292 10.596 1.00 0.00 N ATOM 0 H ASN A 48 -10.222 2.692 6.434 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.402 2.714 6.889 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.967 2.316 9.297 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.603 1.347 8.776 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.525 2.700 11.328 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.935 1.336 10.283 1.00 0.00 H new ATOM 688 N GLY A 49 -12.072 5.541 7.079 1.00 0.00 N ATOM 689 CA GLY A 49 -12.608 6.894 7.209 1.00 0.00 C ATOM 690 C GLY A 49 -11.606 7.854 7.847 1.00 0.00 C ATOM 691 O GLY A 49 -11.688 9.066 7.642 1.00 0.00 O ATOM 0 H GLY A 49 -11.422 5.412 6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.890 7.267 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.516 6.867 7.811 1.00 0.00 H new ATOM 695 N ASP A 50 -10.660 7.324 8.618 1.00 0.00 N ATOM 696 CA ASP A 50 -9.665 8.178 9.262 1.00 0.00 C ATOM 697 C ASP A 50 -8.775 8.827 8.208 1.00 0.00 C ATOM 698 O ASP A 50 -7.906 8.175 7.628 1.00 0.00 O ATOM 699 CB ASP A 50 -8.811 7.367 10.239 1.00 0.00 C ATOM 700 CG ASP A 50 -9.364 7.506 11.653 1.00 0.00 C ATOM 701 OD1 ASP A 50 -9.574 8.629 12.079 1.00 0.00 O ATOM 702 OD2 ASP A 50 -9.567 6.485 12.291 1.00 0.00 O ATOM 0 H ASP A 50 -10.561 6.327 8.810 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.186 8.956 9.820 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.803 6.318 9.944 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.778 7.714 10.208 1.00 0.00 H new ATOM 707 N ILE A 51 -9.008 10.113 7.954 1.00 0.00 N ATOM 708 CA ILE A 51 -8.233 10.838 6.953 1.00 0.00 C ATOM 709 C ILE A 51 -6.749 10.854 7.319 1.00 0.00 C ATOM 710 O ILE A 51 -5.905 10.432 6.531 1.00 0.00 O ATOM 711 CB ILE A 51 -8.775 12.272 6.809 1.00 0.00 C ATOM 712 CG1 ILE A 51 -8.517 12.793 5.387 1.00 0.00 C ATOM 713 CG2 ILE A 51 -8.093 13.206 7.813 1.00 0.00 C ATOM 714 CD1 ILE A 51 -9.854 13.086 4.703 1.00 0.00 C ATOM 0 H ILE A 51 -9.722 10.670 8.424 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.334 10.326 5.996 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.847 12.252 7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.909 13.697 5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.957 12.055 4.813 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.488 14.215 7.697 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.287 12.855 8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.018 13.214 7.631 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.673 13.456 3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.446 12.172 4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.397 13.839 5.274 1.00 0.00 H new ATOM 726 N THR A 52 -6.434 11.337 8.515 1.00 0.00 N ATOM 727 CA THR A 52 -5.048 11.392 8.957 1.00 0.00 C ATOM 728 C THR A 52 -4.312 10.124 8.548 1.00 0.00 C ATOM 729 O THR A 52 -3.306 10.181 7.844 1.00 0.00 O ATOM 730 CB THR A 52 -4.986 11.549 10.475 1.00 0.00 C ATOM 731 OG1 THR A 52 -5.453 12.841 10.836 1.00 0.00 O ATOM 732 CG2 THR A 52 -3.540 11.376 10.939 1.00 0.00 C ATOM 0 H THR A 52 -7.112 11.692 9.189 1.00 0.00 H new ATOM 0 HA THR A 52 -4.570 12.251 8.486 1.00 0.00 H new ATOM 0 HB THR A 52 -5.613 10.794 10.949 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.415 12.942 11.810 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.490 11.487 12.022 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.184 10.384 10.659 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.913 12.133 10.467 1.00 0.00 H new ATOM 740 N GLN A 53 -4.816 8.977 8.985 1.00 0.00 N ATOM 741 CA GLN A 53 -4.180 7.716 8.637 1.00 0.00 C ATOM 742 C GLN A 53 -3.968 7.647 7.134 1.00 0.00 C ATOM 743 O GLN A 53 -2.852 7.454 6.675 1.00 0.00 O ATOM 744 CB GLN A 53 -5.032 6.535 9.093 1.00 0.00 C ATOM 745 CG GLN A 53 -4.473 5.976 10.404 1.00 0.00 C ATOM 746 CD GLN A 53 -5.523 5.107 11.092 1.00 0.00 C ATOM 747 OE1 GLN A 53 -6.707 5.442 11.088 1.00 0.00 O ATOM 748 NE2 GLN A 53 -5.156 4.004 11.686 1.00 0.00 N ATOM 0 H GLN A 53 -5.647 8.894 9.570 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.217 7.662 9.145 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.066 6.851 9.232 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.036 5.759 8.327 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.577 5.389 10.205 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.179 6.794 11.061 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.174 3.728 11.688 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.851 3.418 12.148 1.00 0.00 H new ATOM 757 N ALA A 54 -5.040 7.823 6.368 1.00 0.00 N ATOM 758 CA ALA A 54 -4.932 7.790 4.917 1.00 0.00 C ATOM 759 C ALA A 54 -3.690 8.535 4.481 1.00 0.00 C ATOM 760 O ALA A 54 -2.927 8.071 3.637 1.00 0.00 O ATOM 761 CB ALA A 54 -6.162 8.442 4.301 1.00 0.00 C ATOM 0 H ALA A 54 -5.982 7.988 6.724 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.865 6.755 4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.081 8.417 3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.055 7.899 4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.232 9.477 4.636 1.00 0.00 H new ATOM 767 N VAL A 55 -3.491 9.684 5.078 1.00 0.00 N ATOM 768 CA VAL A 55 -2.335 10.497 4.767 1.00 0.00 C ATOM 769 C VAL A 55 -1.065 9.715 5.055 1.00 0.00 C ATOM 770 O VAL A 55 -0.253 9.475 4.168 1.00 0.00 O ATOM 771 CB VAL A 55 -2.364 11.779 5.600 1.00 0.00 C ATOM 772 CG1 VAL A 55 -1.309 12.750 5.082 1.00 0.00 C ATOM 773 CG2 VAL A 55 -3.749 12.426 5.496 1.00 0.00 C ATOM 0 H VAL A 55 -4.113 10.080 5.783 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.355 10.762 3.710 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.153 11.537 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.331 13.663 5.677 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.323 12.291 5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.517 12.991 4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.769 13.340 6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.961 12.666 4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.503 11.733 5.870 1.00 0.00 H new ATOM 783 N SER A 56 -0.922 9.316 6.303 1.00 0.00 N ATOM 784 CA SER A 56 0.244 8.551 6.741 1.00 0.00 C ATOM 785 C SER A 56 0.468 7.315 5.866 1.00 0.00 C ATOM 786 O SER A 56 1.606 6.950 5.578 1.00 0.00 O ATOM 787 CB SER A 56 0.053 8.120 8.194 1.00 0.00 C ATOM 788 OG SER A 56 1.258 7.537 8.674 1.00 0.00 O ATOM 0 H SER A 56 -1.600 9.507 7.041 1.00 0.00 H new ATOM 0 HA SER A 56 1.122 9.191 6.651 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.218 8.979 8.807 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.766 7.404 8.268 1.00 0.00 H new ATOM 0 HG SER A 56 1.944 7.583 7.976 1.00 0.00 H new ATOM 794 N LEU A 57 -0.619 6.667 5.461 1.00 0.00 N ATOM 795 CA LEU A 57 -0.524 5.467 4.633 1.00 0.00 C ATOM 796 C LEU A 57 0.016 5.792 3.251 1.00 0.00 C ATOM 797 O LEU A 57 0.785 5.030 2.672 1.00 0.00 O ATOM 798 CB LEU A 57 -1.909 4.838 4.466 1.00 0.00 C ATOM 799 CG LEU A 57 -2.544 4.577 5.833 1.00 0.00 C ATOM 800 CD1 LEU A 57 -4.075 4.591 5.707 1.00 0.00 C ATOM 801 CD2 LEU A 57 -2.095 3.210 6.342 1.00 0.00 C ATOM 0 H LEU A 57 -1.572 6.949 5.690 1.00 0.00 H new ATOM 0 HA LEU A 57 0.155 4.777 5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.548 5.500 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.826 3.903 3.912 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.232 5.354 6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.522 4.405 6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.401 5.564 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.390 3.815 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.545 3.019 7.316 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.410 2.439 5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.009 3.195 6.434 1.00 0.00 H new ATOM 813 N LEU A 58 -0.447 6.904 2.720 1.00 0.00 N ATOM 814 CA LEU A 58 -0.073 7.330 1.370 1.00 0.00 C ATOM 815 C LEU A 58 1.290 8.011 1.298 1.00 0.00 C ATOM 816 O LEU A 58 2.031 7.814 0.336 1.00 0.00 O ATOM 817 CB LEU A 58 -1.139 8.276 0.824 1.00 0.00 C ATOM 818 CG LEU A 58 -2.293 7.477 0.197 1.00 0.00 C ATOM 819 CD1 LEU A 58 -2.762 6.347 1.122 1.00 0.00 C ATOM 820 CD2 LEU A 58 -3.462 8.432 -0.078 1.00 0.00 C ATOM 0 H LEU A 58 -1.087 7.538 3.198 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.003 6.425 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.519 8.908 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.699 8.938 0.078 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.940 7.025 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.579 5.803 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.933 5.665 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.108 6.769 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.288 7.877 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.791 8.883 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.139 9.215 -0.764 1.00 0.00 H new ATOM 832 N THR A 59 1.612 8.822 2.284 1.00 0.00 N ATOM 833 CA THR A 59 2.890 9.533 2.267 1.00 0.00 C ATOM 834 C THR A 59 3.936 8.835 3.127 1.00 0.00 C ATOM 835 O THR A 59 5.119 9.170 3.067 1.00 0.00 O ATOM 836 CB THR A 59 2.707 10.979 2.737 1.00 0.00 C ATOM 837 OG1 THR A 59 3.979 11.547 3.016 1.00 0.00 O ATOM 838 CG2 THR A 59 1.841 11.019 3.997 1.00 0.00 C ATOM 0 H THR A 59 1.025 9.009 3.097 1.00 0.00 H new ATOM 0 HA THR A 59 3.248 9.533 1.237 1.00 0.00 H new ATOM 0 HB THR A 59 2.213 11.550 1.951 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.681 10.894 2.813 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.718 12.052 4.321 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.864 10.588 3.781 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.323 10.445 4.788 1.00 0.00 H new ATOM 846 N ASP A 60 3.506 7.863 3.917 1.00 0.00 N ATOM 847 CA ASP A 60 4.435 7.131 4.766 1.00 0.00 C ATOM 848 C ASP A 60 5.775 6.982 4.058 1.00 0.00 C ATOM 849 O ASP A 60 6.679 7.798 4.227 1.00 0.00 O ATOM 850 CB ASP A 60 3.861 5.748 5.093 1.00 0.00 C ATOM 851 CG ASP A 60 3.525 5.663 6.577 1.00 0.00 C ATOM 852 OD1 ASP A 60 3.169 6.682 7.144 1.00 0.00 O ATOM 853 OD2 ASP A 60 3.629 4.578 7.127 1.00 0.00 O ATOM 0 H ASP A 60 2.533 7.565 3.989 1.00 0.00 H new ATOM 0 HA ASP A 60 4.582 7.684 5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.966 5.566 4.498 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.582 4.974 4.830 1.00 0.00 H new ATOM 858 N GLU A 61 5.878 5.936 3.260 1.00 0.00 N ATOM 859 CA GLU A 61 7.095 5.664 2.504 1.00 0.00 C ATOM 860 C GLU A 61 6.757 4.880 1.236 1.00 0.00 C ATOM 861 O GLU A 61 7.202 3.747 1.052 1.00 0.00 O ATOM 862 CB GLU A 61 8.081 4.875 3.372 1.00 0.00 C ATOM 863 CG GLU A 61 9.456 5.546 3.326 1.00 0.00 C ATOM 864 CD GLU A 61 10.431 4.799 4.230 1.00 0.00 C ATOM 865 OE1 GLU A 61 9.986 3.916 4.946 1.00 0.00 O ATOM 866 OE2 GLU A 61 11.608 5.119 4.192 1.00 0.00 O ATOM 0 H GLU A 61 5.132 5.255 3.115 1.00 0.00 H new ATOM 0 HA GLU A 61 7.558 6.608 2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.721 4.830 4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.154 3.848 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.831 5.556 2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.374 6.585 3.646 1.00 0.00 H new ATOM 873 N ARG A 62 5.950 5.488 0.369 1.00 0.00 N ATOM 874 CA ARG A 62 5.538 4.843 -0.865 1.00 0.00 C ATOM 875 C ARG A 62 5.766 5.752 -2.059 1.00 0.00 C ATOM 876 O ARG A 62 6.850 5.783 -2.643 1.00 0.00 O ATOM 877 CB ARG A 62 4.056 4.498 -0.781 1.00 0.00 C ATOM 878 CG ARG A 62 3.314 5.627 -0.066 1.00 0.00 C ATOM 879 CD ARG A 62 3.132 5.256 1.403 1.00 0.00 C ATOM 880 NE ARG A 62 2.405 3.995 1.510 1.00 0.00 N ATOM 881 CZ ARG A 62 2.871 2.977 2.230 1.00 0.00 C ATOM 882 NH1 ARG A 62 3.999 3.084 2.880 1.00 0.00 N ATOM 883 NH2 ARG A 62 2.194 1.862 2.285 1.00 0.00 N ATOM 0 H ARG A 62 5.571 6.426 0.503 1.00 0.00 H new ATOM 0 HA ARG A 62 6.134 3.940 -0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.647 4.355 -1.781 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.919 3.560 -0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.874 6.558 -0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.344 5.795 -0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.104 5.168 1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.587 6.045 1.922 1.00 0.00 H new ATOM 0 HE ARG A 62 1.516 3.891 1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.531 3.953 2.839 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.348 2.298 3.429 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.313 1.775 1.778 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.546 1.078 2.835 1.00 0.00 H new ATOM 897 N VAL A 63 4.726 6.487 -2.415 1.00 0.00 N ATOM 898 CA VAL A 63 4.790 7.396 -3.539 1.00 0.00 C ATOM 899 C VAL A 63 5.992 8.316 -3.414 1.00 0.00 C ATOM 900 O VAL A 63 7.066 8.032 -3.945 1.00 0.00 O ATOM 901 CB VAL A 63 3.503 8.219 -3.609 1.00 0.00 C ATOM 902 CG1 VAL A 63 2.602 7.666 -4.714 1.00 0.00 C ATOM 903 CG2 VAL A 63 2.763 8.134 -2.272 1.00 0.00 C ATOM 0 H VAL A 63 3.825 6.469 -1.937 1.00 0.00 H new ATOM 0 HA VAL A 63 4.896 6.815 -4.455 1.00 0.00 H new ATOM 0 HB VAL A 63 3.754 9.258 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.685 8.253 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.122 7.724 -5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.356 6.626 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.846 8.722 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.515 7.094 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.399 8.526 -1.478 1.00 0.00 H new ATOM 913 N LYS A 64 5.799 9.412 -2.708 1.00 0.00 N ATOM 914 CA LYS A 64 6.875 10.376 -2.507 1.00 0.00 C ATOM 915 C LYS A 64 7.464 10.801 -3.846 1.00 0.00 C ATOM 916 O LYS A 64 7.010 10.362 -4.902 1.00 0.00 O ATOM 917 CB LYS A 64 7.972 9.746 -1.650 1.00 0.00 C ATOM 918 CG LYS A 64 7.328 8.956 -0.507 1.00 0.00 C ATOM 919 CD LYS A 64 8.033 9.276 0.814 1.00 0.00 C ATOM 920 CE LYS A 64 9.361 8.520 0.880 1.00 0.00 C ATOM 921 NZ LYS A 64 10.277 9.031 -0.178 1.00 0.00 N ATOM 0 H LYS A 64 4.915 9.661 -2.264 1.00 0.00 H new ATOM 0 HA LYS A 64 6.470 11.254 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.592 9.088 -2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.626 10.520 -1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.269 9.205 -0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.390 7.887 -0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.209 10.349 0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.399 8.993 1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.816 8.648 1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.191 7.452 0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.264 8.890 0.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.105 8.515 -1.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.103 10.045 -0.328 1.00 0.00 H new ATOM 935 N GLU A 65 8.488 11.646 -3.796 1.00 0.00 N ATOM 936 CA GLU A 65 9.137 12.104 -5.014 1.00 0.00 C ATOM 937 C GLU A 65 9.972 10.974 -5.605 1.00 0.00 C ATOM 938 O GLU A 65 10.498 10.134 -4.874 1.00 0.00 O ATOM 939 CB GLU A 65 10.039 13.304 -4.714 1.00 0.00 C ATOM 940 CG GLU A 65 9.203 14.586 -4.704 1.00 0.00 C ATOM 941 CD GLU A 65 8.408 14.681 -3.407 1.00 0.00 C ATOM 942 OE1 GLU A 65 7.819 13.685 -3.022 1.00 0.00 O ATOM 943 OE2 GLU A 65 8.401 15.750 -2.816 1.00 0.00 O ATOM 0 H GLU A 65 8.882 12.023 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 65 8.372 12.406 -5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.530 13.171 -3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.826 13.377 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.853 15.455 -4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.525 14.594 -5.557 1.00 0.00 H new ATOM 950 N PRO A 66 10.097 10.933 -6.900 1.00 0.00 N ATOM 951 CA PRO A 66 10.884 9.876 -7.593 1.00 0.00 C ATOM 952 C PRO A 66 12.324 9.827 -7.087 1.00 0.00 C ATOM 953 O PRO A 66 12.583 10.082 -5.911 1.00 0.00 O ATOM 954 CB PRO A 66 10.818 10.267 -9.080 1.00 0.00 C ATOM 955 CG PRO A 66 10.326 11.677 -9.116 1.00 0.00 C ATOM 956 CD PRO A 66 9.512 11.889 -7.844 1.00 0.00 C ATOM 0 HA PRO A 66 10.486 8.878 -7.411 1.00 0.00 H new ATOM 0 HB2 PRO A 66 11.799 10.184 -9.549 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.146 9.606 -9.627 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.160 12.377 -9.163 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.714 11.851 -10.001 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.595 12.913 -7.481 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.452 11.693 -8.008 1.00 0.00 H new ATOM 964 N SER A 67 13.255 9.501 -7.974 1.00 0.00 N ATOM 965 CA SER A 67 14.659 9.426 -7.598 1.00 0.00 C ATOM 966 C SER A 67 14.803 8.990 -6.144 1.00 0.00 C ATOM 967 O SER A 67 15.657 9.494 -5.416 1.00 0.00 O ATOM 968 CB SER A 67 15.316 10.789 -7.797 1.00 0.00 C ATOM 969 OG SER A 67 14.490 11.796 -7.229 1.00 0.00 O ATOM 0 H SER A 67 13.064 9.286 -8.953 1.00 0.00 H new ATOM 0 HA SER A 67 15.152 8.688 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.300 10.803 -7.329 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.466 10.982 -8.859 1.00 0.00 H new ATOM 0 HG SER A 67 14.910 12.673 -7.354 1.00 0.00 H new ATOM 975 N GLN A 68 13.964 8.046 -5.731 1.00 0.00 N ATOM 976 CA GLN A 68 14.004 7.545 -4.363 1.00 0.00 C ATOM 977 C GLN A 68 13.078 6.342 -4.212 1.00 0.00 C ATOM 978 O GLN A 68 12.773 5.917 -3.098 1.00 0.00 O ATOM 979 CB GLN A 68 13.571 8.645 -3.389 1.00 0.00 C ATOM 980 CG GLN A 68 13.962 8.261 -1.959 1.00 0.00 C ATOM 981 CD GLN A 68 14.634 9.442 -1.269 1.00 0.00 C ATOM 982 OE1 GLN A 68 15.343 10.217 -1.912 1.00 0.00 O ATOM 983 NE2 GLN A 68 14.455 9.629 0.011 1.00 0.00 N ATOM 0 H GLN A 68 13.252 7.615 -6.321 1.00 0.00 H new ATOM 0 HA GLN A 68 15.026 7.240 -4.136 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.041 9.590 -3.662 1.00 0.00 H new ATOM 0 HB3 GLN A 68 12.493 8.795 -3.452 1.00 0.00 H new ATOM 0 HG2 GLN A 68 13.077 7.958 -1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 68 14.637 7.406 -1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 68 13.868 8.987 0.543 1.00 0.00 H new ATOM 0 HE22 GLN A 68 14.902 10.417 0.479 1.00 0.00 H new ATOM 992 N ASP A 69 12.630 5.801 -5.341 1.00 0.00 N ATOM 993 CA ASP A 69 11.732 4.652 -5.322 1.00 0.00 C ATOM 994 C ASP A 69 12.495 3.374 -5.015 1.00 0.00 C ATOM 995 O ASP A 69 11.928 2.395 -4.528 1.00 0.00 O ATOM 996 CB ASP A 69 11.029 4.517 -6.670 1.00 0.00 C ATOM 997 CG ASP A 69 10.140 5.731 -6.919 1.00 0.00 C ATOM 998 OD1 ASP A 69 10.561 6.826 -6.584 1.00 0.00 O ATOM 999 OD2 ASP A 69 9.052 5.546 -7.438 1.00 0.00 O ATOM 0 H ASP A 69 12.872 6.137 -6.273 1.00 0.00 H new ATOM 0 HA ASP A 69 10.991 4.812 -4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.767 4.427 -7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.429 3.607 -6.687 1.00 0.00 H new ATOM 1004 N THR A 70 13.780 3.401 -5.304 1.00 0.00 N ATOM 1005 CA THR A 70 14.639 2.247 -5.062 1.00 0.00 C ATOM 1006 C THR A 70 16.084 2.690 -4.855 1.00 0.00 C ATOM 1007 O THR A 70 16.602 3.518 -5.605 1.00 0.00 O ATOM 1008 CB THR A 70 14.562 1.276 -6.243 1.00 0.00 C ATOM 1009 OG1 THR A 70 14.169 1.982 -7.412 1.00 0.00 O ATOM 1010 CG2 THR A 70 13.540 0.180 -5.940 1.00 0.00 C ATOM 0 H THR A 70 14.258 4.207 -5.707 1.00 0.00 H new ATOM 0 HA THR A 70 14.292 1.744 -4.160 1.00 0.00 H new ATOM 0 HB THR A 70 15.540 0.823 -6.404 1.00 0.00 H new ATOM 0 HG1 THR A 70 14.121 1.361 -8.169 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.486 -0.510 -6.782 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.843 -0.363 -5.044 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.561 0.630 -5.777 1.00 0.00 H new ATOM 1018 N VAL A 71 16.729 2.135 -3.834 1.00 0.00 N ATOM 1019 CA VAL A 71 18.115 2.483 -3.538 1.00 0.00 C ATOM 1020 C VAL A 71 18.960 1.225 -3.375 1.00 0.00 C ATOM 1021 O VAL A 71 18.469 0.188 -2.929 1.00 0.00 O ATOM 1022 CB VAL A 71 18.188 3.311 -2.252 1.00 0.00 C ATOM 1023 CG1 VAL A 71 18.947 4.612 -2.517 1.00 0.00 C ATOM 1024 CG2 VAL A 71 16.771 3.632 -1.773 1.00 0.00 C ATOM 0 H VAL A 71 16.319 1.448 -3.202 1.00 0.00 H new ATOM 0 HA VAL A 71 18.504 3.069 -4.371 1.00 0.00 H new ATOM 0 HB VAL A 71 18.712 2.741 -1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 71 18.996 5.198 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 71 19.957 4.381 -2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 71 18.429 5.185 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 71 16.821 4.221 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.247 4.200 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.234 2.704 -1.578 1.00 0.00 H new ATOM 1034 N ALA A 72 20.236 1.329 -3.730 1.00 0.00 N ATOM 1035 CA ALA A 72 21.143 0.199 -3.608 1.00 0.00 C ATOM 1036 C ALA A 72 22.043 0.384 -2.398 1.00 0.00 C ATOM 1037 O ALA A 72 22.318 -0.559 -1.658 1.00 0.00 O ATOM 1038 CB ALA A 72 21.993 0.066 -4.873 1.00 0.00 C ATOM 0 H ALA A 72 20.661 2.178 -4.102 1.00 0.00 H new ATOM 0 HA ALA A 72 20.556 -0.710 -3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 72 22.668 -0.783 -4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 72 21.343 -0.090 -5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 72 22.575 0.976 -5.018 1.00 0.00 H new ATOM 1044 N THR A 73 22.483 1.616 -2.208 1.00 0.00 N ATOM 1045 CA THR A 73 23.349 1.956 -1.084 1.00 0.00 C ATOM 1046 C THR A 73 23.637 3.454 -1.060 1.00 0.00 C ATOM 1047 O THR A 73 23.715 4.064 0.008 1.00 0.00 O ATOM 1048 CB THR A 73 24.671 1.189 -1.180 1.00 0.00 C ATOM 1049 OG1 THR A 73 24.418 -0.209 -1.127 1.00 0.00 O ATOM 1050 CG2 THR A 73 25.576 1.588 -0.014 1.00 0.00 C ATOM 0 H THR A 73 22.256 2.402 -2.817 1.00 0.00 H new ATOM 0 HA THR A 73 22.833 1.677 -0.165 1.00 0.00 H new ATOM 0 HB THR A 73 25.162 1.431 -2.123 1.00 0.00 H new ATOM 0 HG1 THR A 73 23.478 -0.363 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 73 26.517 1.043 -0.081 1.00 0.00 H new ATOM 0 HG22 THR A 73 25.773 2.659 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 73 25.083 1.347 0.928 1.00 0.00 H new ATOM 1058 N GLU A 74 23.803 4.041 -2.242 1.00 0.00 N ATOM 1059 CA GLU A 74 24.090 5.468 -2.342 1.00 0.00 C ATOM 1060 C GLU A 74 22.804 6.290 -2.243 1.00 0.00 C ATOM 1061 O GLU A 74 21.737 5.828 -2.646 1.00 0.00 O ATOM 1062 CB GLU A 74 24.786 5.764 -3.672 1.00 0.00 C ATOM 1063 CG GLU A 74 25.954 4.793 -3.862 1.00 0.00 C ATOM 1064 CD GLU A 74 26.549 4.956 -5.255 1.00 0.00 C ATOM 1065 OE1 GLU A 74 26.909 6.070 -5.597 1.00 0.00 O ATOM 1066 OE2 GLU A 74 26.638 3.963 -5.959 1.00 0.00 O ATOM 0 H GLU A 74 23.744 3.555 -3.137 1.00 0.00 H new ATOM 0 HA GLU A 74 24.744 5.746 -1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 74 24.079 5.665 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 74 25.148 6.792 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 74 26.718 4.979 -3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 74 25.611 3.768 -3.722 1.00 0.00 H new ATOM 1073 N PRO A 75 22.887 7.490 -1.718 1.00 0.00 N ATOM 1074 CA PRO A 75 21.704 8.392 -1.573 1.00 0.00 C ATOM 1075 C PRO A 75 20.883 8.494 -2.857 1.00 0.00 C ATOM 1076 O PRO A 75 20.660 7.502 -3.552 1.00 0.00 O ATOM 1077 CB PRO A 75 22.311 9.752 -1.225 1.00 0.00 C ATOM 1078 CG PRO A 75 23.663 9.471 -0.657 1.00 0.00 C ATOM 1079 CD PRO A 75 24.118 8.116 -1.204 1.00 0.00 C ATOM 0 HA PRO A 75 21.012 8.017 -0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 75 22.384 10.384 -2.110 1.00 0.00 H new ATOM 0 HB3 PRO A 75 21.689 10.283 -0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 75 24.367 10.254 -0.938 1.00 0.00 H new ATOM 0 HG3 PRO A 75 23.625 9.452 0.432 1.00 0.00 H new ATOM 0 HD2 PRO A 75 24.861 8.236 -1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 75 24.576 7.508 -0.424 1.00 0.00 H new ATOM 1087 N SER A 76 20.438 9.708 -3.165 1.00 0.00 N ATOM 1088 CA SER A 76 19.645 9.942 -4.366 1.00 0.00 C ATOM 1089 C SER A 76 20.540 9.958 -5.599 1.00 0.00 C ATOM 1090 O SER A 76 21.764 9.877 -5.491 1.00 0.00 O ATOM 1091 CB SER A 76 18.911 11.279 -4.254 1.00 0.00 C ATOM 1092 OG SER A 76 19.784 12.329 -4.650 1.00 0.00 O ATOM 0 H SER A 76 20.612 10.541 -2.603 1.00 0.00 H new ATOM 0 HA SER A 76 18.919 9.135 -4.464 1.00 0.00 H new ATOM 0 HB2 SER A 76 18.022 11.273 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.574 11.437 -3.229 1.00 0.00 H new ATOM 0 HG SER A 76 19.316 13.187 -4.581 1.00 0.00 H new ATOM 1098 N GLU A 77 19.924 10.067 -6.771 1.00 0.00 N ATOM 1099 CA GLU A 77 20.680 10.098 -8.017 1.00 0.00 C ATOM 1100 C GLU A 77 21.858 11.049 -7.897 1.00 0.00 C ATOM 1101 O GLU A 77 23.005 10.632 -7.731 1.00 0.00 O ATOM 1102 CB GLU A 77 19.780 10.556 -9.166 1.00 0.00 C ATOM 1103 CG GLU A 77 18.533 9.671 -9.225 1.00 0.00 C ATOM 1104 CD GLU A 77 18.304 9.185 -10.652 1.00 0.00 C ATOM 1105 OE1 GLU A 77 19.257 8.727 -11.260 1.00 0.00 O ATOM 1106 OE2 GLU A 77 17.179 9.276 -11.116 1.00 0.00 O ATOM 0 H GLU A 77 18.913 10.135 -6.884 1.00 0.00 H new ATOM 0 HA GLU A 77 21.048 9.092 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 77 19.493 11.598 -9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 77 20.322 10.501 -10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 77 18.651 8.818 -8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 77 17.664 10.230 -8.879 1.00 0.00 H new ATOM 1113 N VAL A 78 21.552 12.327 -7.988 1.00 0.00 N ATOM 1114 CA VAL A 78 22.568 13.365 -7.897 1.00 0.00 C ATOM 1115 C VAL A 78 22.365 14.199 -6.633 1.00 0.00 C ATOM 1116 O VAL A 78 21.907 13.688 -5.611 1.00 0.00 O ATOM 1117 CB VAL A 78 22.494 14.261 -9.135 1.00 0.00 C ATOM 1118 CG1 VAL A 78 21.237 15.131 -9.067 1.00 0.00 C ATOM 1119 CG2 VAL A 78 23.736 15.152 -9.202 1.00 0.00 C ATOM 0 H VAL A 78 20.604 12.677 -8.126 1.00 0.00 H new ATOM 0 HA VAL A 78 23.551 12.897 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 78 22.451 13.638 -10.028 1.00 0.00 H new ATOM 0 HG11 VAL A 78 21.187 15.768 -9.950 1.00 0.00 H new ATOM 0 HG12 VAL A 78 20.354 14.493 -9.030 1.00 0.00 H new ATOM 0 HG13 VAL A 78 21.273 15.753 -8.173 1.00 0.00 H new ATOM 0 HG21 VAL A 78 23.680 15.789 -10.085 1.00 0.00 H new ATOM 0 HG22 VAL A 78 23.786 15.774 -8.308 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.628 14.529 -9.260 1.00 0.00 H new ATOM 1129 N GLU A 79 22.710 15.479 -6.707 1.00 0.00 N ATOM 1130 CA GLU A 79 22.560 16.368 -5.560 1.00 0.00 C ATOM 1131 C GLU A 79 21.277 17.185 -5.677 1.00 0.00 C ATOM 1132 O GLU A 79 20.400 17.108 -4.817 1.00 0.00 O ATOM 1133 CB GLU A 79 23.765 17.312 -5.467 1.00 0.00 C ATOM 1134 CG GLU A 79 24.421 17.179 -4.090 1.00 0.00 C ATOM 1135 CD GLU A 79 23.476 17.692 -3.010 1.00 0.00 C ATOM 1136 OE1 GLU A 79 22.309 17.339 -3.055 1.00 0.00 O ATOM 1137 OE2 GLU A 79 23.932 18.431 -2.153 1.00 0.00 O ATOM 0 H GLU A 79 23.093 15.923 -7.542 1.00 0.00 H new ATOM 0 HA GLU A 79 22.507 15.759 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.487 17.074 -6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.446 18.341 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 79 24.674 16.136 -3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 79 25.354 17.743 -4.066 1.00 0.00 H new ATOM 1144 N GLY A 80 21.175 17.967 -6.746 1.00 0.00 N ATOM 1145 CA GLY A 80 19.994 18.795 -6.964 1.00 0.00 C ATOM 1146 C GLY A 80 20.382 20.258 -7.149 1.00 0.00 C ATOM 1147 O GLY A 80 19.780 20.973 -7.949 1.00 0.00 O ATOM 0 H GLY A 80 21.889 18.045 -7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.456 18.443 -7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.316 18.699 -6.116 1.00 0.00 H new ATOM 1151 N SER A 81 21.392 20.696 -6.405 1.00 0.00 N ATOM 1152 CA SER A 81 21.851 22.077 -6.496 1.00 0.00 C ATOM 1153 C SER A 81 23.373 22.131 -6.592 1.00 0.00 C ATOM 1154 O SER A 81 24.042 21.098 -6.576 1.00 0.00 O ATOM 1155 CB SER A 81 21.387 22.862 -5.269 1.00 0.00 C ATOM 1156 OG SER A 81 19.999 23.143 -5.390 1.00 0.00 O ATOM 0 H SER A 81 21.905 20.120 -5.737 1.00 0.00 H new ATOM 0 HA SER A 81 21.426 22.523 -7.395 1.00 0.00 H new ATOM 0 HB2 SER A 81 21.576 22.287 -4.362 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.952 23.790 -5.182 1.00 0.00 H new ATOM 0 HG SER A 81 19.697 23.645 -4.604 1.00 0.00 H new ATOM 1162 N ALA A 82 23.911 23.341 -6.693 1.00 0.00 N ATOM 1163 CA ALA A 82 25.351 23.522 -6.795 1.00 0.00 C ATOM 1164 C ALA A 82 26.077 22.671 -5.759 1.00 0.00 C ATOM 1165 O ALA A 82 25.452 22.081 -4.878 1.00 0.00 O ATOM 1166 CB ALA A 82 25.701 24.996 -6.585 1.00 0.00 C ATOM 0 H ALA A 82 23.373 24.207 -6.706 1.00 0.00 H new ATOM 0 HA ALA A 82 25.670 23.207 -7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 82 26.780 25.128 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 82 25.206 25.599 -7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 82 25.366 25.312 -5.597 1.00 0.00 H new ATOM 1172 N ALA A 83 27.399 22.611 -5.874 1.00 0.00 N ATOM 1173 CA ALA A 83 28.202 21.829 -4.941 1.00 0.00 C ATOM 1174 C ALA A 83 28.693 22.701 -3.790 1.00 0.00 C ATOM 1175 O ALA A 83 28.729 23.927 -3.899 1.00 0.00 O ATOM 1176 CB ALA A 83 29.403 21.220 -5.668 1.00 0.00 C ATOM 0 H ALA A 83 27.934 23.090 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 83 27.578 21.032 -4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 83 29.997 20.638 -4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 83 29.052 20.571 -6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 83 30.016 22.017 -6.088 1.00 0.00 H new ATOM 1182 N ASN A 84 29.073 22.061 -2.689 1.00 0.00 N ATOM 1183 CA ASN A 84 29.564 22.789 -1.524 1.00 0.00 C ATOM 1184 C ASN A 84 30.986 22.354 -1.183 1.00 0.00 C ATOM 1185 O ASN A 84 31.488 22.637 -0.095 1.00 0.00 O ATOM 1186 CB ASN A 84 28.652 22.536 -0.321 1.00 0.00 C ATOM 1187 CG ASN A 84 27.237 23.017 -0.624 1.00 0.00 C ATOM 1188 OD1 ASN A 84 27.002 23.646 -1.656 1.00 0.00 O ATOM 1189 ND2 ASN A 84 26.276 22.758 0.220 1.00 0.00 N ATOM 0 H ASN A 84 29.051 21.047 -2.579 1.00 0.00 H new ATOM 0 HA ASN A 84 29.564 23.853 -1.760 1.00 0.00 H new ATOM 0 HB2 ASN A 84 28.639 21.473 -0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 84 29.041 23.055 0.555 1.00 0.00 H new ATOM 0 HD21 ASN A 84 25.327 23.077 0.026 1.00 0.00 H new ATOM 0 HD22 ASN A 84 26.474 22.237 1.074 1.00 0.00 H new ATOM 1196 N LYS A 85 31.629 21.666 -2.119 1.00 0.00 N ATOM 1197 CA LYS A 85 32.994 21.196 -1.907 1.00 0.00 C ATOM 1198 C LYS A 85 33.954 22.379 -1.820 1.00 0.00 C ATOM 1199 O LYS A 85 33.597 23.506 -2.160 1.00 0.00 O ATOM 1200 CB LYS A 85 33.415 20.273 -3.056 1.00 0.00 C ATOM 1201 CG LYS A 85 33.742 18.882 -2.506 1.00 0.00 C ATOM 1202 CD LYS A 85 35.067 18.932 -1.741 1.00 0.00 C ATOM 1203 CE LYS A 85 35.626 17.515 -1.592 1.00 0.00 C ATOM 1204 NZ LYS A 85 36.897 17.400 -2.362 1.00 0.00 N ATOM 0 H LYS A 85 31.231 21.422 -3.026 1.00 0.00 H new ATOM 0 HA LYS A 85 33.030 20.642 -0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 85 32.614 20.205 -3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 85 34.284 20.686 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 85 32.942 18.543 -1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 85 33.809 18.163 -3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 85 35.781 19.562 -2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 85 34.915 19.379 -0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 85 35.804 17.291 -0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 85 34.901 16.786 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 37.278 16.437 -2.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 36.713 17.597 -3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 37.588 18.086 -1.996 1.00 0.00 H new ATOM 1218 N GLU A 86 35.174 22.114 -1.363 1.00 0.00 N ATOM 1219 CA GLU A 86 36.173 23.169 -1.240 1.00 0.00 C ATOM 1220 C GLU A 86 36.458 23.787 -2.602 1.00 0.00 C ATOM 1221 O GLU A 86 37.003 24.887 -2.700 1.00 0.00 O ATOM 1222 CB GLU A 86 37.464 22.601 -0.648 1.00 0.00 C ATOM 1223 CG GLU A 86 38.172 23.685 0.164 1.00 0.00 C ATOM 1224 CD GLU A 86 39.424 23.111 0.819 1.00 0.00 C ATOM 1225 OE1 GLU A 86 39.280 22.295 1.713 1.00 0.00 O ATOM 1226 OE2 GLU A 86 40.509 23.496 0.415 1.00 0.00 O ATOM 0 H GLU A 86 35.492 21.189 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 86 35.785 23.942 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 86 37.239 21.744 -0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 86 38.116 22.244 -1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 86 38.440 24.519 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 86 37.500 24.077 0.927 1.00 0.00 H new ATOM 1233 N VAL A 87 36.075 23.068 -3.645 1.00 0.00 N ATOM 1234 CA VAL A 87 36.278 23.537 -5.011 1.00 0.00 C ATOM 1235 C VAL A 87 35.126 23.081 -5.899 1.00 0.00 C ATOM 1236 O VAL A 87 34.490 22.063 -5.631 1.00 0.00 O ATOM 1237 CB VAL A 87 37.595 22.988 -5.565 1.00 0.00 C ATOM 1238 CG1 VAL A 87 38.038 23.836 -6.760 1.00 0.00 C ATOM 1239 CG2 VAL A 87 38.671 23.037 -4.478 1.00 0.00 C ATOM 0 H VAL A 87 35.622 22.157 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 87 36.316 24.626 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 87 37.451 21.956 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 87 38.976 23.446 -7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 87 37.274 23.798 -7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 87 38.180 24.868 -6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 87 39.608 22.646 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 87 38.816 24.068 -4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 87 38.357 22.432 -3.627 1.00 0.00 H new ATOM 1249 N LEU A 88 34.862 23.839 -6.957 1.00 0.00 N ATOM 1250 CA LEU A 88 33.781 23.494 -7.871 1.00 0.00 C ATOM 1251 C LEU A 88 34.149 22.268 -8.691 1.00 0.00 C ATOM 1252 O LEU A 88 33.281 21.520 -9.143 1.00 0.00 O ATOM 1253 CB LEU A 88 33.491 24.671 -8.804 1.00 0.00 C ATOM 1254 CG LEU A 88 32.120 24.482 -9.461 1.00 0.00 C ATOM 1255 CD1 LEU A 88 31.648 25.808 -10.062 1.00 0.00 C ATOM 1256 CD2 LEU A 88 32.218 23.431 -10.573 1.00 0.00 C ATOM 0 H LEU A 88 35.375 24.686 -7.201 1.00 0.00 H new ATOM 0 HA LEU A 88 32.890 23.270 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 88 33.511 25.606 -8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 88 34.265 24.741 -9.568 1.00 0.00 H new ATOM 0 HG LEU A 88 31.408 24.149 -8.706 1.00 0.00 H new ATOM 0 HD11 LEU A 88 30.673 25.669 -10.528 1.00 0.00 H new ATOM 0 HD12 LEU A 88 31.570 26.557 -9.274 1.00 0.00 H new ATOM 0 HD13 LEU A 88 32.364 26.143 -10.812 1.00 0.00 H new ATOM 0 HD21 LEU A 88 31.240 23.300 -11.037 1.00 0.00 H new ATOM 0 HD22 LEU A 88 32.935 23.762 -11.324 1.00 0.00 H new ATOM 0 HD23 LEU A 88 32.548 22.483 -10.149 1.00 0.00 H new ATOM 1268 N ALA A 89 35.442 22.072 -8.876 1.00 0.00 N ATOM 1269 CA ALA A 89 35.937 20.947 -9.637 1.00 0.00 C ATOM 1270 C ALA A 89 35.924 21.275 -11.119 1.00 0.00 C ATOM 1271 O ALA A 89 36.448 20.522 -11.932 1.00 0.00 O ATOM 1272 CB ALA A 89 35.067 19.734 -9.360 1.00 0.00 C ATOM 0 H ALA A 89 36.170 22.683 -8.506 1.00 0.00 H new ATOM 0 HA ALA A 89 36.963 20.730 -9.340 1.00 0.00 H new ATOM 0 HB1 ALA A 89 35.437 18.883 -9.932 1.00 0.00 H new ATOM 0 HB2 ALA A 89 35.100 19.498 -8.296 1.00 0.00 H new ATOM 0 HB3 ALA A 89 34.039 19.949 -9.653 1.00 0.00 H new ATOM 1278 N LYS A 90 35.329 22.417 -11.450 1.00 0.00 N ATOM 1279 CA LYS A 90 35.250 22.871 -12.831 1.00 0.00 C ATOM 1280 C LYS A 90 34.800 24.325 -12.887 1.00 0.00 C ATOM 1281 O LYS A 90 33.667 24.647 -12.532 1.00 0.00 O ATOM 1282 CB LYS A 90 34.266 22.006 -13.617 1.00 0.00 C ATOM 1283 CG LYS A 90 34.891 21.618 -14.961 1.00 0.00 C ATOM 1284 CD LYS A 90 35.885 20.460 -14.761 1.00 0.00 C ATOM 1285 CE LYS A 90 37.332 20.977 -14.663 1.00 0.00 C ATOM 1286 NZ LYS A 90 38.193 20.202 -15.601 1.00 0.00 N ATOM 0 H LYS A 90 34.893 23.046 -10.776 1.00 0.00 H new ATOM 0 HA LYS A 90 36.241 22.785 -13.276 1.00 0.00 H new ATOM 0 HB2 LYS A 90 34.016 21.111 -13.048 1.00 0.00 H new ATOM 0 HB3 LYS A 90 33.336 22.550 -13.780 1.00 0.00 H new ATOM 0 HG2 LYS A 90 34.111 21.322 -15.663 1.00 0.00 H new ATOM 0 HG3 LYS A 90 35.402 22.477 -15.396 1.00 0.00 H new ATOM 0 HD2 LYS A 90 35.630 19.911 -13.854 1.00 0.00 H new ATOM 0 HD3 LYS A 90 35.802 19.759 -15.592 1.00 0.00 H new ATOM 0 HE2 LYS A 90 37.369 22.038 -14.909 1.00 0.00 H new ATOM 0 HE3 LYS A 90 37.700 20.873 -13.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 39.172 20.547 -15.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 38.164 19.194 -15.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 37.844 20.323 -16.573 1.00 0.00 H new ATOM 1300 N VAL A 91 35.692 25.198 -13.340 1.00 0.00 N ATOM 1301 CA VAL A 91 35.369 26.614 -13.444 1.00 0.00 C ATOM 1302 C VAL A 91 36.563 27.404 -13.972 1.00 0.00 C ATOM 1303 O VAL A 91 36.452 28.125 -14.964 1.00 0.00 O ATOM 1304 CB VAL A 91 34.961 27.159 -12.072 1.00 0.00 C ATOM 1305 CG1 VAL A 91 36.059 26.852 -11.053 1.00 0.00 C ATOM 1306 CG2 VAL A 91 34.760 28.673 -12.162 1.00 0.00 C ATOM 0 H VAL A 91 36.636 24.953 -13.638 1.00 0.00 H new ATOM 0 HA VAL A 91 34.539 26.725 -14.142 1.00 0.00 H new ATOM 0 HB VAL A 91 34.030 26.687 -11.758 1.00 0.00 H new ATOM 0 HG11 VAL A 91 35.768 27.240 -10.077 1.00 0.00 H new ATOM 0 HG12 VAL A 91 36.203 25.774 -10.987 1.00 0.00 H new ATOM 0 HG13 VAL A 91 36.990 27.323 -11.368 1.00 0.00 H new ATOM 0 HG21 VAL A 91 34.470 29.060 -11.185 1.00 0.00 H new ATOM 0 HG22 VAL A 91 35.690 29.145 -12.478 1.00 0.00 H new ATOM 0 HG23 VAL A 91 33.977 28.894 -12.887 1.00 0.00 H new ATOM 1316 N ILE A 92 37.703 27.262 -13.305 1.00 0.00 N ATOM 1317 CA ILE A 92 38.910 27.968 -13.719 1.00 0.00 C ATOM 1318 C ILE A 92 38.660 29.472 -13.768 1.00 0.00 C ATOM 1319 O ILE A 92 37.616 29.951 -13.327 1.00 0.00 O ATOM 1320 CB ILE A 92 39.355 27.479 -15.098 1.00 0.00 C ATOM 1321 CG1 ILE A 92 39.332 25.950 -15.126 1.00 0.00 C ATOM 1322 CG2 ILE A 92 40.776 27.971 -15.385 1.00 0.00 C ATOM 1323 CD1 ILE A 92 39.760 25.458 -16.510 1.00 0.00 C ATOM 0 H ILE A 92 37.817 26.670 -12.482 1.00 0.00 H new ATOM 0 HA ILE A 92 39.695 27.764 -12.991 1.00 0.00 H new ATOM 0 HB ILE A 92 38.677 27.870 -15.857 1.00 0.00 H new ATOM 0 HG12 ILE A 92 40.002 25.552 -14.364 1.00 0.00 H new ATOM 0 HG13 ILE A 92 38.331 25.586 -14.893 1.00 0.00 H new ATOM 0 HG21 ILE A 92 41.091 27.621 -16.368 1.00 0.00 H new ATOM 0 HG22 ILE A 92 40.795 29.061 -15.364 1.00 0.00 H new ATOM 0 HG23 ILE A 92 41.456 27.582 -14.627 1.00 0.00 H new ATOM 0 HD11 ILE A 92 39.744 24.368 -16.530 1.00 0.00 H new ATOM 0 HD12 ILE A 92 39.073 25.845 -17.262 1.00 0.00 H new ATOM 0 HD13 ILE A 92 40.769 25.810 -16.725 1.00 0.00 H new ATOM 1335 N ASP A 93 39.626 30.210 -14.309 1.00 0.00 N ATOM 1336 CA ASP A 93 39.506 31.657 -14.413 1.00 0.00 C ATOM 1337 C ASP A 93 39.672 32.297 -13.045 1.00 0.00 C ATOM 1338 O ASP A 93 38.727 32.368 -12.260 1.00 0.00 O ATOM 1339 CB ASP A 93 38.144 32.027 -14.997 1.00 0.00 C ATOM 1340 CG ASP A 93 38.172 33.462 -15.515 1.00 0.00 C ATOM 1341 OD1 ASP A 93 39.233 33.902 -15.926 1.00 0.00 O ATOM 1342 OD2 ASP A 93 37.132 34.099 -15.492 1.00 0.00 O ATOM 0 H ASP A 93 40.496 29.829 -14.680 1.00 0.00 H new ATOM 0 HA ASP A 93 40.290 32.027 -15.073 1.00 0.00 H new ATOM 0 HB2 ASP A 93 37.889 31.344 -15.807 1.00 0.00 H new ATOM 0 HB3 ASP A 93 37.371 31.921 -14.235 1.00 0.00 H new ATOM 1347 N LEU A 94 40.886 32.752 -12.761 1.00 0.00 N ATOM 1348 CA LEU A 94 41.171 33.373 -11.479 1.00 0.00 C ATOM 1349 C LEU A 94 42.031 34.609 -11.659 1.00 0.00 C ATOM 1350 O LEU A 94 41.735 35.680 -11.127 1.00 0.00 O ATOM 1351 CB LEU A 94 41.859 32.345 -10.568 1.00 0.00 C ATOM 1352 CG LEU A 94 43.390 32.411 -10.680 1.00 0.00 C ATOM 1353 CD1 LEU A 94 44.007 31.506 -9.610 1.00 0.00 C ATOM 1354 CD2 LEU A 94 43.828 31.917 -12.062 1.00 0.00 C ATOM 0 H LEU A 94 41.682 32.702 -13.397 1.00 0.00 H new ATOM 0 HA LEU A 94 40.239 33.694 -11.014 1.00 0.00 H new ATOM 0 HB2 LEU A 94 41.563 32.521 -9.534 1.00 0.00 H new ATOM 0 HB3 LEU A 94 41.519 31.343 -10.830 1.00 0.00 H new ATOM 0 HG LEU A 94 43.721 33.440 -10.539 1.00 0.00 H new ATOM 0 HD11 LEU A 94 45.094 31.546 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 94 43.696 31.846 -8.622 1.00 0.00 H new ATOM 0 HD13 LEU A 94 43.671 30.480 -9.763 1.00 0.00 H new ATOM 0 HD21 LEU A 94 44.914 31.965 -12.138 1.00 0.00 H new ATOM 0 HD22 LEU A 94 43.500 30.887 -12.201 1.00 0.00 H new ATOM 0 HD23 LEU A 94 43.382 32.547 -12.832 1.00 0.00 H new ATOM 1366 N THR A 95 43.088 34.441 -12.416 1.00 0.00 N ATOM 1367 CA THR A 95 44.017 35.531 -12.692 1.00 0.00 C ATOM 1368 C THR A 95 43.353 36.584 -13.576 1.00 0.00 C ATOM 1369 O THR A 95 43.008 36.314 -14.725 1.00 0.00 O ATOM 1370 CB THR A 95 45.270 34.991 -13.388 1.00 0.00 C ATOM 1371 OG1 THR A 95 46.082 36.078 -13.811 1.00 0.00 O ATOM 1372 CG2 THR A 95 44.864 34.153 -14.603 1.00 0.00 C ATOM 0 H THR A 95 43.335 33.556 -12.859 1.00 0.00 H new ATOM 0 HA THR A 95 44.302 35.991 -11.746 1.00 0.00 H new ATOM 0 HB THR A 95 45.830 34.367 -12.691 1.00 0.00 H new ATOM 0 HG1 THR A 95 46.885 35.733 -14.255 1.00 0.00 H new ATOM 0 HG21 THR A 95 45.758 33.770 -15.096 1.00 0.00 H new ATOM 0 HG22 THR A 95 44.243 33.318 -14.278 1.00 0.00 H new ATOM 0 HG23 THR A 95 44.302 34.773 -15.301 1.00 0.00 H new ATOM 1380 N HIS A 96 43.174 37.783 -13.029 1.00 0.00 N ATOM 1381 CA HIS A 96 42.546 38.867 -13.776 1.00 0.00 C ATOM 1382 C HIS A 96 43.460 40.087 -13.824 1.00 0.00 C ATOM 1383 O HIS A 96 44.643 40.002 -13.494 1.00 0.00 O ATOM 1384 CB HIS A 96 41.216 39.247 -13.123 1.00 0.00 C ATOM 1385 CG HIS A 96 40.419 38.002 -12.849 1.00 0.00 C ATOM 1386 ND1 HIS A 96 40.535 36.864 -13.631 1.00 0.00 N ATOM 1387 CD2 HIS A 96 39.492 37.699 -11.882 1.00 0.00 C ATOM 1388 CE1 HIS A 96 39.700 35.938 -13.128 1.00 0.00 C ATOM 1389 NE2 HIS A 96 39.040 36.394 -12.061 1.00 0.00 N ATOM 0 H HIS A 96 43.453 38.027 -12.079 1.00 0.00 H new ATOM 0 HA HIS A 96 42.366 38.524 -14.795 1.00 0.00 H new ATOM 0 HB2 HIS A 96 41.396 39.788 -12.194 1.00 0.00 H new ATOM 0 HB3 HIS A 96 40.655 39.914 -13.777 1.00 0.00 H new ATOM 0 HD1 HIS A 96 41.144 36.750 -14.441 1.00 0.00 H new ATOM 0 HD2 HIS A 96 39.164 38.370 -11.102 1.00 0.00 H new ATOM 0 HE1 HIS A 96 39.578 34.946 -13.537 1.00 0.00 H new ATOM 1397 N ASP A 97 42.901 41.219 -14.238 1.00 0.00 N ATOM 1398 CA ASP A 97 43.674 42.452 -14.325 1.00 0.00 C ATOM 1399 C ASP A 97 43.644 43.195 -12.993 1.00 0.00 C ATOM 1400 O ASP A 97 43.102 42.697 -12.006 1.00 0.00 O ATOM 1401 CB ASP A 97 43.104 43.346 -15.428 1.00 0.00 C ATOM 1402 CG ASP A 97 41.647 42.984 -15.689 1.00 0.00 C ATOM 1403 OD1 ASP A 97 40.927 42.778 -14.725 1.00 0.00 O ATOM 1404 OD2 ASP A 97 41.271 42.918 -16.848 1.00 0.00 O ATOM 0 H ASP A 97 41.924 41.308 -14.516 1.00 0.00 H new ATOM 0 HA ASP A 97 44.707 42.199 -14.562 1.00 0.00 H new ATOM 0 HB2 ASP A 97 43.181 44.393 -15.135 1.00 0.00 H new ATOM 0 HB3 ASP A 97 43.686 43.227 -16.342 1.00 0.00 H new ATOM 1409 N ASN A 98 44.230 44.388 -12.971 1.00 0.00 N ATOM 1410 CA ASN A 98 44.264 45.187 -11.751 1.00 0.00 C ATOM 1411 C ASN A 98 42.947 45.929 -11.558 1.00 0.00 C ATOM 1412 O ASN A 98 42.613 46.350 -10.450 1.00 0.00 O ATOM 1413 CB ASN A 98 45.411 46.193 -11.820 1.00 0.00 C ATOM 1414 CG ASN A 98 46.630 45.649 -11.081 1.00 0.00 C ATOM 1415 OD1 ASN A 98 46.917 44.453 -11.151 1.00 0.00 O ATOM 1416 ND2 ASN A 98 47.369 46.457 -10.373 1.00 0.00 N ATOM 0 H ASN A 98 44.684 44.820 -13.776 1.00 0.00 H new ATOM 0 HA ASN A 98 44.417 44.517 -10.905 1.00 0.00 H new ATOM 0 HB2 ASN A 98 45.667 46.394 -12.860 1.00 0.00 H new ATOM 0 HB3 ASN A 98 45.101 47.140 -11.379 1.00 0.00 H new ATOM 0 HD21 ASN A 98 48.185 46.099 -9.877 1.00 0.00 H new ATOM 0 HD22 ASN A 98 47.131 47.447 -10.315 1.00 0.00 H new ATOM 1423 N LYS A 99 42.207 46.080 -12.644 1.00 0.00 N ATOM 1424 CA LYS A 99 40.924 46.772 -12.595 1.00 0.00 C ATOM 1425 C LYS A 99 39.783 45.774 -12.411 1.00 0.00 C ATOM 1426 O LYS A 99 38.608 46.123 -12.524 1.00 0.00 O ATOM 1427 CB LYS A 99 40.713 47.576 -13.882 1.00 0.00 C ATOM 1428 CG LYS A 99 39.938 46.733 -14.896 1.00 0.00 C ATOM 1429 CD LYS A 99 40.211 47.251 -16.307 1.00 0.00 C ATOM 1430 CE LYS A 99 41.220 46.335 -16.999 1.00 0.00 C ATOM 1431 NZ LYS A 99 41.537 46.876 -18.350 1.00 0.00 N ATOM 0 H LYS A 99 42.469 45.735 -13.568 1.00 0.00 H new ATOM 0 HA LYS A 99 40.930 47.453 -11.744 1.00 0.00 H new ATOM 0 HB2 LYS A 99 40.166 48.493 -13.664 1.00 0.00 H new ATOM 0 HB3 LYS A 99 41.676 47.871 -14.300 1.00 0.00 H new ATOM 0 HG2 LYS A 99 40.235 45.687 -14.818 1.00 0.00 H new ATOM 0 HG3 LYS A 99 38.870 46.778 -14.681 1.00 0.00 H new ATOM 0 HD2 LYS A 99 39.284 47.286 -16.879 1.00 0.00 H new ATOM 0 HD3 LYS A 99 40.598 48.269 -16.264 1.00 0.00 H new ATOM 0 HE2 LYS A 99 42.129 46.262 -16.402 1.00 0.00 H new ATOM 0 HE3 LYS A 99 40.813 45.327 -17.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 42.224 46.253 -18.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 40.667 46.924 -18.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 41.942 47.829 -18.256 1.00 0.00 H new ATOM 1445 N ASP A 100 40.132 44.530 -12.121 1.00 0.00 N ATOM 1446 CA ASP A 100 39.121 43.504 -11.919 1.00 0.00 C ATOM 1447 C ASP A 100 38.043 44.013 -10.967 1.00 0.00 C ATOM 1448 O ASP A 100 36.971 43.419 -10.849 1.00 0.00 O ATOM 1449 CB ASP A 100 39.764 42.240 -11.343 1.00 0.00 C ATOM 1450 CG ASP A 100 40.268 42.510 -9.930 1.00 0.00 C ATOM 1451 OD1 ASP A 100 39.767 43.434 -9.310 1.00 0.00 O ATOM 1452 OD2 ASP A 100 41.145 41.788 -9.488 1.00 0.00 O ATOM 0 H ASP A 100 41.095 44.209 -12.021 1.00 0.00 H new ATOM 0 HA ASP A 100 38.665 43.266 -12.880 1.00 0.00 H new ATOM 0 HB2 ASP A 100 39.039 41.426 -11.330 1.00 0.00 H new ATOM 0 HB3 ASP A 100 40.590 41.920 -11.978 1.00 0.00 H new ATOM 1457 N ASP A 101 38.342 45.117 -10.282 1.00 0.00 N ATOM 1458 CA ASP A 101 37.399 45.699 -9.331 1.00 0.00 C ATOM 1459 C ASP A 101 36.092 46.086 -10.021 1.00 0.00 C ATOM 1460 O ASP A 101 35.029 45.551 -9.693 1.00 0.00 O ATOM 1461 CB ASP A 101 38.022 46.942 -8.689 1.00 0.00 C ATOM 1462 CG ASP A 101 38.068 46.784 -7.173 1.00 0.00 C ATOM 1463 OD1 ASP A 101 37.108 47.172 -6.527 1.00 0.00 O ATOM 1464 OD2 ASP A 101 39.064 46.280 -6.680 1.00 0.00 O ATOM 0 H ASP A 101 39.224 45.622 -10.368 1.00 0.00 H new ATOM 0 HA ASP A 101 37.179 44.954 -8.567 1.00 0.00 H new ATOM 0 HB2 ASP A 101 39.029 47.095 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 101 37.442 47.826 -8.952 1.00 0.00 H new ATOM 1469 N LEU A 102 36.169 47.002 -10.984 1.00 0.00 N ATOM 1470 CA LEU A 102 34.970 47.421 -11.703 1.00 0.00 C ATOM 1471 C LEU A 102 34.658 46.453 -12.820 1.00 0.00 C ATOM 1472 O LEU A 102 33.514 46.295 -13.191 1.00 0.00 O ATOM 1473 CB LEU A 102 35.114 48.838 -12.291 1.00 0.00 C ATOM 1474 CG LEU A 102 35.549 48.780 -13.768 1.00 0.00 C ATOM 1475 CD1 LEU A 102 35.758 50.196 -14.299 1.00 0.00 C ATOM 1476 CD2 LEU A 102 36.856 48.002 -13.895 1.00 0.00 C ATOM 0 H LEU A 102 37.031 47.460 -11.280 1.00 0.00 H new ATOM 0 HA LEU A 102 34.155 47.431 -10.980 1.00 0.00 H new ATOM 0 HB2 LEU A 102 34.165 49.368 -12.208 1.00 0.00 H new ATOM 0 HB3 LEU A 102 35.847 49.403 -11.714 1.00 0.00 H new ATOM 0 HG LEU A 102 34.771 48.281 -14.346 1.00 0.00 H new ATOM 0 HD11 LEU A 102 36.066 50.151 -15.344 1.00 0.00 H new ATOM 0 HD12 LEU A 102 34.826 50.756 -14.219 1.00 0.00 H new ATOM 0 HD13 LEU A 102 36.532 50.693 -13.714 1.00 0.00 H new ATOM 0 HD21 LEU A 102 37.157 47.965 -14.942 1.00 0.00 H new ATOM 0 HD22 LEU A 102 37.632 48.497 -13.311 1.00 0.00 H new ATOM 0 HD23 LEU A 102 36.713 46.988 -13.523 1.00 0.00 H new ATOM 1488 N GLN A 103 35.674 45.812 -13.362 1.00 0.00 N ATOM 1489 CA GLN A 103 35.444 44.882 -14.450 1.00 0.00 C ATOM 1490 C GLN A 103 34.589 43.741 -13.960 1.00 0.00 C ATOM 1491 O GLN A 103 33.699 43.248 -14.656 1.00 0.00 O ATOM 1492 CB GLN A 103 36.778 44.358 -14.972 1.00 0.00 C ATOM 1493 CG GLN A 103 36.816 44.477 -16.497 1.00 0.00 C ATOM 1494 CD GLN A 103 37.787 43.453 -17.074 1.00 0.00 C ATOM 1495 OE1 GLN A 103 37.789 43.207 -18.280 1.00 0.00 O ATOM 1496 NE2 GLN A 103 38.618 42.835 -16.278 1.00 0.00 N ATOM 0 H GLN A 103 36.648 45.914 -13.075 1.00 0.00 H new ATOM 0 HA GLN A 103 34.927 45.391 -15.263 1.00 0.00 H new ATOM 0 HB2 GLN A 103 37.599 44.924 -14.533 1.00 0.00 H new ATOM 0 HB3 GLN A 103 36.913 43.318 -14.675 1.00 0.00 H new ATOM 0 HG2 GLN A 103 35.819 44.317 -16.908 1.00 0.00 H new ATOM 0 HG3 GLN A 103 37.122 45.483 -16.784 1.00 0.00 H new ATOM 0 HE21 GLN A 103 38.615 43.040 -15.279 1.00 0.00 H new ATOM 0 HE22 GLN A 103 39.270 42.147 -16.656 1.00 0.00 H new ATOM 1505 N ALA A 104 34.876 43.339 -12.746 1.00 0.00 N ATOM 1506 CA ALA A 104 34.162 42.260 -12.122 1.00 0.00 C ATOM 1507 C ALA A 104 32.831 42.735 -11.559 1.00 0.00 C ATOM 1508 O ALA A 104 31.783 42.186 -11.889 1.00 0.00 O ATOM 1509 CB ALA A 104 35.027 41.670 -11.016 1.00 0.00 C ATOM 0 H ALA A 104 35.608 43.751 -12.168 1.00 0.00 H new ATOM 0 HA ALA A 104 33.947 41.496 -12.870 1.00 0.00 H new ATOM 0 HB1 ALA A 104 34.494 40.850 -10.536 1.00 0.00 H new ATOM 0 HB2 ALA A 104 35.958 41.297 -11.442 1.00 0.00 H new ATOM 0 HB3 ALA A 104 35.249 42.440 -10.277 1.00 0.00 H new ATOM 1515 N ALA A 105 32.869 43.759 -10.718 1.00 0.00 N ATOM 1516 CA ALA A 105 31.639 44.284 -10.145 1.00 0.00 C ATOM 1517 C ALA A 105 30.676 44.660 -11.266 1.00 0.00 C ATOM 1518 O ALA A 105 29.482 44.354 -11.216 1.00 0.00 O ATOM 1519 CB ALA A 105 31.948 45.518 -9.297 1.00 0.00 C ATOM 0 H ALA A 105 33.721 44.235 -10.422 1.00 0.00 H new ATOM 0 HA ALA A 105 31.182 43.522 -9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 105 31.024 45.907 -8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 105 32.632 45.245 -8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 105 32.409 46.283 -9.922 1.00 0.00 H new ATOM 1525 N ILE A 106 31.219 45.320 -12.281 1.00 0.00 N ATOM 1526 CA ILE A 106 30.433 45.746 -13.429 1.00 0.00 C ATOM 1527 C ILE A 106 29.949 44.559 -14.238 1.00 0.00 C ATOM 1528 O ILE A 106 28.818 44.546 -14.700 1.00 0.00 O ATOM 1529 CB ILE A 106 31.267 46.623 -14.332 1.00 0.00 C ATOM 1530 CG1 ILE A 106 31.723 47.872 -13.570 1.00 0.00 C ATOM 1531 CG2 ILE A 106 30.434 47.037 -15.541 1.00 0.00 C ATOM 1532 CD1 ILE A 106 30.640 48.948 -13.653 1.00 0.00 C ATOM 0 H ILE A 106 32.206 45.572 -12.331 1.00 0.00 H new ATOM 0 HA ILE A 106 29.573 46.297 -13.048 1.00 0.00 H new ATOM 0 HB ILE A 106 32.145 46.069 -14.664 1.00 0.00 H new ATOM 0 HG12 ILE A 106 31.922 47.622 -12.528 1.00 0.00 H new ATOM 0 HG13 ILE A 106 32.656 48.247 -13.992 1.00 0.00 H new ATOM 0 HG21 ILE A 106 31.033 47.670 -16.196 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.118 46.148 -16.086 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.556 47.589 -15.206 1.00 0.00 H new ATOM 0 HD11 ILE A 106 30.966 49.835 -13.110 1.00 0.00 H new ATOM 0 HD12 ILE A 106 30.463 49.206 -14.697 1.00 0.00 H new ATOM 0 HD13 ILE A 106 29.718 48.571 -13.211 1.00 0.00 H new ATOM 1544 N ALA A 107 30.816 43.575 -14.432 1.00 0.00 N ATOM 1545 CA ALA A 107 30.445 42.403 -15.211 1.00 0.00 C ATOM 1546 C ALA A 107 29.362 41.603 -14.497 1.00 0.00 C ATOM 1547 O ALA A 107 28.419 41.123 -15.121 1.00 0.00 O ATOM 1548 CB ALA A 107 31.667 41.523 -15.433 1.00 0.00 C ATOM 0 H ALA A 107 31.768 43.564 -14.066 1.00 0.00 H new ATOM 0 HA ALA A 107 30.056 42.737 -16.173 1.00 0.00 H new ATOM 0 HB1 ALA A 107 31.383 40.647 -16.017 1.00 0.00 H new ATOM 0 HB2 ALA A 107 32.429 42.087 -15.972 1.00 0.00 H new ATOM 0 HB3 ALA A 107 32.065 41.204 -14.470 1.00 0.00 H new ATOM 1554 N LEU A 108 29.506 41.466 -13.187 1.00 0.00 N ATOM 1555 CA LEU A 108 28.534 40.725 -12.396 1.00 0.00 C ATOM 1556 C LEU A 108 27.192 41.448 -12.400 1.00 0.00 C ATOM 1557 O LEU A 108 26.135 40.820 -12.463 1.00 0.00 O ATOM 1558 CB LEU A 108 29.036 40.581 -10.957 1.00 0.00 C ATOM 1559 CG LEU A 108 28.950 39.115 -10.526 1.00 0.00 C ATOM 1560 CD1 LEU A 108 29.582 38.952 -9.142 1.00 0.00 C ATOM 1561 CD2 LEU A 108 27.483 38.684 -10.469 1.00 0.00 C ATOM 0 H LEU A 108 30.282 41.856 -12.652 1.00 0.00 H new ATOM 0 HA LEU A 108 28.406 39.735 -12.835 1.00 0.00 H new ATOM 0 HB2 LEU A 108 30.065 40.932 -10.884 1.00 0.00 H new ATOM 0 HB3 LEU A 108 28.439 41.202 -10.289 1.00 0.00 H new ATOM 0 HG LEU A 108 29.484 38.494 -11.246 1.00 0.00 H new ATOM 0 HD11 LEU A 108 29.521 37.908 -8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 108 30.627 39.258 -9.181 1.00 0.00 H new ATOM 0 HD13 LEU A 108 29.049 39.574 -8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 108 27.422 37.640 -10.162 1.00 0.00 H new ATOM 0 HD22 LEU A 108 26.949 39.305 -9.750 1.00 0.00 H new ATOM 0 HD23 LEU A 108 27.031 38.799 -11.454 1.00 0.00 H new ATOM 1573 N SER A 109 27.243 42.775 -12.328 1.00 0.00 N ATOM 1574 CA SER A 109 26.028 43.578 -12.318 1.00 0.00 C ATOM 1575 C SER A 109 25.549 43.866 -13.736 1.00 0.00 C ATOM 1576 O SER A 109 24.398 44.248 -13.949 1.00 0.00 O ATOM 1577 CB SER A 109 26.296 44.898 -11.601 1.00 0.00 C ATOM 1578 OG SER A 109 25.522 44.955 -10.410 1.00 0.00 O ATOM 0 H SER A 109 28.108 43.313 -12.276 1.00 0.00 H new ATOM 0 HA SER A 109 25.252 43.017 -11.797 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.356 44.987 -11.363 1.00 0.00 H new ATOM 0 HB3 SER A 109 26.044 45.735 -12.252 1.00 0.00 H new ATOM 0 HG SER A 109 25.695 45.802 -9.948 1.00 0.00 H new ATOM 1584 N LEU A 110 26.443 43.697 -14.694 1.00 0.00 N ATOM 1585 CA LEU A 110 26.111 43.956 -16.089 1.00 0.00 C ATOM 1586 C LEU A 110 25.738 42.650 -16.782 1.00 0.00 C ATOM 1587 O LEU A 110 25.212 42.647 -17.894 1.00 0.00 O ATOM 1588 CB LEU A 110 27.306 44.639 -16.788 1.00 0.00 C ATOM 1589 CG LEU A 110 26.956 45.038 -18.233 1.00 0.00 C ATOM 1590 CD1 LEU A 110 27.066 43.823 -19.156 1.00 0.00 C ATOM 1591 CD2 LEU A 110 25.534 45.606 -18.305 1.00 0.00 C ATOM 0 H LEU A 110 27.401 43.383 -14.536 1.00 0.00 H new ATOM 0 HA LEU A 110 25.253 44.626 -16.146 1.00 0.00 H new ATOM 0 HB2 LEU A 110 27.601 45.525 -16.225 1.00 0.00 H new ATOM 0 HB3 LEU A 110 28.162 43.964 -16.792 1.00 0.00 H new ATOM 0 HG LEU A 110 27.661 45.804 -18.556 1.00 0.00 H new ATOM 0 HD11 LEU A 110 26.816 44.117 -20.176 1.00 0.00 H new ATOM 0 HD12 LEU A 110 28.085 43.437 -19.129 1.00 0.00 H new ATOM 0 HD13 LEU A 110 26.375 43.049 -18.822 1.00 0.00 H new ATOM 0 HD21 LEU A 110 25.304 45.883 -19.334 1.00 0.00 H new ATOM 0 HD22 LEU A 110 24.824 44.853 -17.965 1.00 0.00 H new ATOM 0 HD23 LEU A 110 25.462 46.487 -17.668 1.00 0.00 H new ATOM 1603 N LEU A 111 26.005 41.540 -16.101 1.00 0.00 N ATOM 1604 CA LEU A 111 25.686 40.221 -16.639 1.00 0.00 C ATOM 1605 C LEU A 111 24.751 39.475 -15.694 1.00 0.00 C ATOM 1606 O LEU A 111 24.242 40.045 -14.728 1.00 0.00 O ATOM 1607 CB LEU A 111 26.963 39.395 -16.822 1.00 0.00 C ATOM 1608 CG LEU A 111 27.941 40.141 -17.730 1.00 0.00 C ATOM 1609 CD1 LEU A 111 29.347 39.569 -17.543 1.00 0.00 C ATOM 1610 CD2 LEU A 111 27.514 39.969 -19.190 1.00 0.00 C ATOM 0 H LEU A 111 26.440 41.527 -15.179 1.00 0.00 H new ATOM 0 HA LEU A 111 25.199 40.360 -17.604 1.00 0.00 H new ATOM 0 HB2 LEU A 111 27.425 39.205 -15.853 1.00 0.00 H new ATOM 0 HB3 LEU A 111 26.720 38.425 -17.255 1.00 0.00 H new ATOM 0 HG LEU A 111 27.940 41.200 -17.472 1.00 0.00 H new ATOM 0 HD11 LEU A 111 30.045 40.100 -18.190 1.00 0.00 H new ATOM 0 HD12 LEU A 111 29.653 39.688 -16.504 1.00 0.00 H new ATOM 0 HD13 LEU A 111 29.346 38.510 -17.802 1.00 0.00 H new ATOM 0 HD21 LEU A 111 28.211 40.501 -19.838 1.00 0.00 H new ATOM 0 HD22 LEU A 111 27.515 38.910 -19.447 1.00 0.00 H new ATOM 0 HD23 LEU A 111 26.511 40.374 -19.326 1.00 0.00 H new ATOM 1622 N GLU A 112 24.545 38.193 -15.973 1.00 0.00 N ATOM 1623 CA GLU A 112 23.690 37.364 -15.134 1.00 0.00 C ATOM 1624 C GLU A 112 22.248 37.858 -15.134 1.00 0.00 C ATOM 1625 O GLU A 112 21.322 37.099 -14.848 1.00 0.00 O ATOM 1626 CB GLU A 112 24.232 37.366 -13.709 1.00 0.00 C ATOM 1627 CG GLU A 112 24.044 35.984 -13.085 1.00 0.00 C ATOM 1628 CD GLU A 112 24.986 34.983 -13.744 1.00 0.00 C ATOM 1629 OE1 GLU A 112 25.626 35.351 -14.715 1.00 0.00 O ATOM 1630 OE2 GLU A 112 25.053 33.862 -13.267 1.00 0.00 O ATOM 0 H GLU A 112 24.957 37.707 -16.770 1.00 0.00 H new ATOM 0 HA GLU A 112 23.694 36.352 -15.540 1.00 0.00 H new ATOM 0 HB2 GLU A 112 25.289 37.634 -13.712 1.00 0.00 H new ATOM 0 HB3 GLU A 112 23.714 38.118 -13.114 1.00 0.00 H new ATOM 0 HG2 GLU A 112 24.240 36.030 -12.014 1.00 0.00 H new ATOM 0 HG3 GLU A 112 23.011 35.658 -13.206 1.00 0.00 H new ATOM 1637 N SER A 113 22.064 39.129 -15.447 1.00 0.00 N ATOM 1638 CA SER A 113 20.725 39.711 -15.471 1.00 0.00 C ATOM 1639 C SER A 113 20.542 40.605 -16.699 1.00 0.00 C ATOM 1640 O SER A 113 21.429 41.389 -17.038 1.00 0.00 O ATOM 1641 CB SER A 113 20.496 40.536 -14.205 1.00 0.00 C ATOM 1642 OG SER A 113 20.846 39.758 -13.067 1.00 0.00 O ATOM 0 H SER A 113 22.815 39.776 -15.687 1.00 0.00 H new ATOM 0 HA SER A 113 20.000 38.899 -15.518 1.00 0.00 H new ATOM 0 HB2 SER A 113 21.096 41.446 -14.236 1.00 0.00 H new ATOM 0 HB3 SER A 113 19.452 40.844 -14.142 1.00 0.00 H new ATOM 0 HG SER A 113 20.702 40.285 -12.253 1.00 0.00 H new ATOM 1648 N PRO A 114 19.415 40.510 -17.364 1.00 0.00 N ATOM 1649 CA PRO A 114 19.123 41.338 -18.569 1.00 0.00 C ATOM 1650 C PRO A 114 18.747 42.772 -18.198 1.00 0.00 C ATOM 1651 O PRO A 114 18.799 43.154 -17.029 1.00 0.00 O ATOM 1652 CB PRO A 114 17.947 40.616 -19.224 1.00 0.00 C ATOM 1653 CG PRO A 114 17.238 39.926 -18.105 1.00 0.00 C ATOM 1654 CD PRO A 114 18.295 39.606 -17.045 1.00 0.00 C ATOM 0 HA PRO A 114 19.988 41.433 -19.225 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.288 41.319 -19.734 1.00 0.00 H new ATOM 0 HB3 PRO A 114 18.291 39.902 -19.972 1.00 0.00 H new ATOM 0 HG2 PRO A 114 16.456 40.563 -17.692 1.00 0.00 H new ATOM 0 HG3 PRO A 114 16.754 39.015 -18.457 1.00 0.00 H new ATOM 0 HD2 PRO A 114 17.915 39.782 -16.039 1.00 0.00 H new ATOM 0 HD3 PRO A 114 18.601 38.561 -17.091 1.00 0.00 H new ATOM 1662 N LYS A 115 18.369 43.560 -19.200 1.00 0.00 N ATOM 1663 CA LYS A 115 17.990 44.948 -18.963 1.00 0.00 C ATOM 1664 C LYS A 115 16.499 45.152 -19.213 1.00 0.00 C ATOM 1665 O LYS A 115 15.737 44.190 -19.312 1.00 0.00 O ATOM 1666 CB LYS A 115 18.802 45.881 -19.871 1.00 0.00 C ATOM 1667 CG LYS A 115 18.437 45.639 -21.341 1.00 0.00 C ATOM 1668 CD LYS A 115 19.118 44.362 -21.842 1.00 0.00 C ATOM 1669 CE LYS A 115 18.064 43.410 -22.411 1.00 0.00 C ATOM 1670 NZ LYS A 115 18.718 42.145 -22.845 1.00 0.00 N ATOM 0 H LYS A 115 18.317 43.265 -20.175 1.00 0.00 H new ATOM 0 HA LYS A 115 18.204 45.186 -17.921 1.00 0.00 H new ATOM 0 HB2 LYS A 115 18.605 46.920 -19.606 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.868 45.710 -19.720 1.00 0.00 H new ATOM 0 HG2 LYS A 115 17.356 45.551 -21.447 1.00 0.00 H new ATOM 0 HG3 LYS A 115 18.748 46.490 -21.947 1.00 0.00 H new ATOM 0 HD2 LYS A 115 19.854 44.606 -22.608 1.00 0.00 H new ATOM 0 HD3 LYS A 115 19.656 43.880 -21.026 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.305 43.199 -21.658 1.00 0.00 H new ATOM 0 HE3 LYS A 115 17.555 43.876 -23.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 18.001 41.498 -23.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 19.427 42.354 -23.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 19.184 41.698 -22.030 1.00 0.00 H new ATOM 1684 N ILE A 116 16.094 46.413 -19.318 1.00 0.00 N ATOM 1685 CA ILE A 116 14.694 46.742 -19.561 1.00 0.00 C ATOM 1686 C ILE A 116 14.589 47.965 -20.467 1.00 0.00 C ATOM 1687 O ILE A 116 15.492 48.242 -21.257 1.00 0.00 O ATOM 1688 CB ILE A 116 13.987 47.028 -18.235 1.00 0.00 C ATOM 1689 CG1 ILE A 116 14.428 45.998 -17.192 1.00 0.00 C ATOM 1690 CG2 ILE A 116 12.470 46.939 -18.430 1.00 0.00 C ATOM 1691 CD1 ILE A 116 13.729 46.289 -15.862 1.00 0.00 C ATOM 0 H ILE A 116 16.712 47.221 -19.239 1.00 0.00 H new ATOM 0 HA ILE A 116 14.217 45.893 -20.050 1.00 0.00 H new ATOM 0 HB ILE A 116 14.249 48.030 -17.894 1.00 0.00 H new ATOM 0 HG12 ILE A 116 14.182 44.992 -17.532 1.00 0.00 H new ATOM 0 HG13 ILE A 116 15.510 46.035 -17.063 1.00 0.00 H new ATOM 0 HG21 ILE A 116 11.969 47.143 -17.484 1.00 0.00 H new ATOM 0 HG22 ILE A 116 12.155 47.672 -19.173 1.00 0.00 H new ATOM 0 HG23 ILE A 116 12.205 45.939 -18.772 1.00 0.00 H new ATOM 0 HD11 ILE A 116 14.042 45.556 -15.118 1.00 0.00 H new ATOM 0 HD12 ILE A 116 13.997 47.289 -15.521 1.00 0.00 H new ATOM 0 HD13 ILE A 116 12.649 46.229 -15.998 1.00 0.00 H new ATOM 1703 N GLN A 117 13.484 48.694 -20.346 1.00 0.00 N ATOM 1704 CA GLN A 117 13.279 49.887 -21.160 1.00 0.00 C ATOM 1705 C GLN A 117 14.265 50.980 -20.760 1.00 0.00 C ATOM 1706 O GLN A 117 13.929 51.885 -19.996 1.00 0.00 O ATOM 1707 CB GLN A 117 11.845 50.395 -20.991 1.00 0.00 C ATOM 1708 CG GLN A 117 11.249 50.715 -22.362 1.00 0.00 C ATOM 1709 CD GLN A 117 10.124 51.734 -22.218 1.00 0.00 C ATOM 1710 OE1 GLN A 117 9.074 51.592 -22.845 1.00 0.00 O ATOM 1711 NE2 GLN A 117 10.281 52.758 -21.426 1.00 0.00 N ATOM 0 H GLN A 117 12.724 48.483 -19.699 1.00 0.00 H new ATOM 0 HA GLN A 117 13.447 49.628 -22.205 1.00 0.00 H new ATOM 0 HB2 GLN A 117 11.239 49.642 -20.487 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.836 51.285 -20.362 1.00 0.00 H new ATOM 0 HG2 GLN A 117 12.023 51.107 -23.021 1.00 0.00 H new ATOM 0 HG3 GLN A 117 10.868 49.804 -22.824 1.00 0.00 H new ATOM 0 HE21 GLN A 117 11.152 52.873 -20.908 1.00 0.00 H new ATOM 0 HE22 GLN A 117 9.533 53.444 -21.325 1.00 0.00 H new ATOM 1720 N ALA A 118 15.486 50.890 -21.281 1.00 0.00 N ATOM 1721 CA ALA A 118 16.513 51.878 -20.969 1.00 0.00 C ATOM 1722 C ALA A 118 16.024 53.281 -21.310 1.00 0.00 C ATOM 1723 O ALA A 118 14.835 53.493 -21.550 1.00 0.00 O ATOM 1724 CB ALA A 118 17.787 51.572 -21.759 1.00 0.00 C ATOM 0 H ALA A 118 15.786 50.150 -21.915 1.00 0.00 H new ATOM 0 HA ALA A 118 16.728 51.830 -19.901 1.00 0.00 H new ATOM 0 HB1 ALA A 118 18.550 52.314 -21.521 1.00 0.00 H new ATOM 0 HB2 ALA A 118 18.151 50.579 -21.493 1.00 0.00 H new ATOM 0 HB3 ALA A 118 17.570 51.605 -22.827 1.00 0.00 H new ATOM 1730 N ASP A 119 16.946 54.238 -21.330 1.00 0.00 N ATOM 1731 CA ASP A 119 16.592 55.616 -21.646 1.00 0.00 C ATOM 1732 C ASP A 119 16.952 55.944 -23.091 1.00 0.00 C ATOM 1733 O ASP A 119 16.086 55.964 -23.967 1.00 0.00 O ATOM 1734 CB ASP A 119 17.328 56.572 -20.706 1.00 0.00 C ATOM 1735 CG ASP A 119 16.403 57.713 -20.295 1.00 0.00 C ATOM 1736 OD1 ASP A 119 15.692 57.550 -19.317 1.00 0.00 O ATOM 1737 OD2 ASP A 119 16.419 58.732 -20.964 1.00 0.00 O ATOM 0 H ASP A 119 17.935 54.087 -21.133 1.00 0.00 H new ATOM 0 HA ASP A 119 15.516 55.734 -21.516 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.671 56.034 -19.822 1.00 0.00 H new ATOM 0 HB3 ASP A 119 18.214 56.971 -21.200 1.00 0.00 H new ATOM 1742 N GLY A 120 18.233 56.198 -23.335 1.00 0.00 N ATOM 1743 CA GLY A 120 18.695 56.522 -24.679 1.00 0.00 C ATOM 1744 C GLY A 120 18.453 57.992 -25.000 1.00 0.00 C ATOM 1745 O GLY A 120 18.583 58.803 -24.099 1.00 0.00 O ATOM 0 H GLY A 120 18.965 56.186 -22.625 1.00 0.00 H new ATOM 0 HA2 GLY A 120 19.758 56.297 -24.766 1.00 0.00 H new ATOM 0 HA3 GLY A 120 18.177 55.897 -25.406 1.00 0.00 H new TER 1749 GLY A 120